USER MOD reduce.3.24.130724 H: found=0, std=0, add=3380, rem=0, adj=77 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) HEADER TRANSFERASE 07-JAN-16 5HFK TITLE CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN FROM TITLE 2 ESCHERICHIA COLI OCH 157:H7 STR. SAKAI (ECS3186, TARGET EFI-507414) TITLE 3 WITH BOUND GLUTATHIONE COMPND MOL_ID: 1; COMPND 2 MOLECULE: DISULFIDE-BOND OXIDOREDUCTASE YFCG; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: GSH-DEPENDENT DISULFIDE-BOND OXIDOREDUCTASE YFCG,GST N1-1, COMPND 5 GST-LIKE PROTEIN YFCG,ORGANIC HYDROPEROXIDASE; COMPND 6 EC: 1.8.4.-,1.11.1.-; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: SEVERAL N-TERMINAL AND CARBOXY-TERMINAL RESIDUES FOR COMPND 9 EACH CHAIN WERE DISORDERED IN THE STRUCTURE, ACCORDING TO THE COMPND 0 ELECTRON DENSITY. SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI (STRAIN K12); SOURCE 3 ORGANISM_TAXID: 83333; SOURCE 4 STRAIN: K12; SOURCE 5 GENE: YFCG, B2302, JW2299; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PSGC-HIS KEYWDS GLUTATHIONE S-TRANSFERASE FAMILY, ENZYME FUNCTION INITIATIVE (EFI), KEYWDS 2 STRUCTURAL GENOMICS, GLUTATHIONE LIGANDS, NEW YORK STRUCTURAL KEYWDS 3 GENOMICS RESEARCH CONSORTIUM, NYSGRC, OXIDOREDUCTASE, TRANSFERASE EXPDTA X-RAY DIFFRACTION AUTHOR D.M.HIMMEL,R.TORO,N.F.AL OBAIDI,L.L.MORISCO,S.R.WASSERMAN,M.STEAD, AUTHOR 2 J.D.ATTONITO,A.SCOTT GLENN,S.CHAMALA,S.CHOWDHURY,J.LAFLEUR,B.EVANS, AUTHOR 3 B.HILLERICH,J.LOVE,R.D.SEIDEL,K.L.WHALEN,J.A.GERLT,S.C.ALMO,ENZYME AUTHOR 4 FUNCTION INITIATIVE (EFI),NEW YORK STRUCTURAL GENOMICS RESEARCH AUTHOR 5 CONSORTIUM (NYSGRC) REVDAT 1 10-FEB-16 5HFK 0 JRNL AUTH D.M.HIMMEL,R.TORO,N.F.AL OBAIDI,L.L.MORISCO,S.R.WASSERMAN, JRNL AUTH 2 M.STEAD,J.D.ATTONITO,A.SCOTT GLENN,S.CHAMALA,S.CHOWDHURY, JRNL AUTH 3 J.LAFLEUR,B.EVANS,B.HILLERICH,J.LOVE,R.D.SEIDEL,K.L.WHALEN, JRNL AUTH 4 J.A.GERLT,S.C.ALMO,ENZYME FUNCTION INITIATIVE (EFI) JRNL TITL CRYSTAL STRUCTURE OF A GLUTATHIONE S-TRANSFERASE PROTEIN JRNL TITL 2 FROM ESCHERICHIA COLI OCH 157:H7 STR. SAKAI (ECS3186, TARGET JRNL TITL 3 EFI-507414) WITH BOUND GLUTATHIONE JRNL REF TO BE PUBLISHED JRNL REFN REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH N.V.STOURMAN,M.C.BRANCH,M.R.SCHAAB,J.M.HARP,J.E.LADNER, REMARK 1 AUTH 2 R.N.ARMSTRONG REMARK 1 TITL STRUCTURE AND FUNCTION OF YGHU, A NU-CLASS GLUTATHIONE REMARK 1 TITL 2 TRANSFERASE RELATED TO YFCG FROM ESCHERICHIA COLI. REMARK 1 REF BIOCHEMISTRY V. 50 1274 2011 REMARK 1 REFN ISSN 1520-4995 REMARK 1 PMID 21222452 REMARK 1 DOI 10.1021/BI101861A REMARK 1 REFERENCE 2 REMARK 1 AUTH M.C.WADINGTON,J.E.LADNER,N.V.STOURMAN,J.M.HARP,R.N.ARMSTRONG REMARK 1 TITL ANALYSIS OF THE STRUCTURE AND FUNCTION OF YFCG FROM REMARK 1 TITL 2 ESCHERICHIA COLI REVEALS AN EFFICIENT AND UNIQUE DISULFIDE REMARK 1 TITL 3 BOND REDUCTASE. REMARK 1 REF BIOCHEMISTRY V. 48 6559 2009 REMARK 1 REFN ISSN 1520-4995 REMARK 1 PMID 19537707 REMARK 1 DOI 10.1021/BI9008825 REMARK 2 REMARK 2 RESOLUTION. 1.55 ANGSTROMS. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : PHENIX 1.9_1692 REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART REMARK 3 REMARK 3 REFINEMENT TARGET : ML REMARK 3 REMARK 3 DATA USED IN REFINEMENT. REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.55 REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.66 REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.450 REMARK 3 COMPLETENESS FOR RANGE (%) : 98.0 REMARK 3 NUMBER OF REFLECTIONS : 85985 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT. REMARK 3 R VALUE (WORKING + TEST SET) : 0.187 REMARK 3 R VALUE (WORKING SET) : 0.186 REMARK 3 FREE R VALUE : 0.213 REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.980 REMARK 3 FREE R VALUE TEST SET COUNT : 4282 REMARK 3 REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE REMARK 3 1 19.6569 - 4.7961 1.00 3043 155 0.1550 0.1976 REMARK 3 2 4.7961 - 3.8159 1.00 2887 153 0.1295 0.1537 REMARK 3 3 3.8159 - 3.3362 1.00 2856 136 0.1374 0.1746 REMARK 3 4 3.3362 - 3.0324 1.00 2849 138 0.1551 0.1680 REMARK 3 5 3.0324 - 2.8157 1.00 2804 153 0.1594 0.1679 REMARK 3 6 2.8157 - 2.6501 1.00 2793 153 0.1492 0.1714 REMARK 3 7 2.6501 - 2.5177 0.99 2752 147 0.1501 0.1728 REMARK 3 8 2.5177 - 2.4083 1.00 2784 144 0.1509 0.1515 REMARK 3 9 2.4083 - 2.3157 1.00 2767 140 0.1466 0.1728 REMARK 3 10 2.3157 - 2.2359 0.99 2761 159 0.1523 0.1784 REMARK 3 11 2.2359 - 2.1661 0.99 2730 164 0.1492 0.2035 REMARK 3 12 2.1661 - 2.1043 1.00 2750 146 0.1607 0.1874 REMARK 3 13 2.1043 - 2.0489 0.99 2752 139 0.1799 0.2376 REMARK 3 14 2.0489 - 1.9990 0.99 2735 136 0.1826 0.1981 REMARK 3 15 1.9990 - 1.9536 0.99 2719 179 0.1994 0.2485 REMARK 3 16 1.9536 - 1.9121 0.99 2726 139 0.2235 0.2137 REMARK 3 17 1.9121 - 1.8738 0.98 2709 122 0.2366 0.2853 REMARK 3 18 1.8738 - 1.8385 0.99 2720 119 0.2473 0.2726 REMARK 3 19 1.8385 - 1.8057 0.98 2682 150 0.2667 0.2922 REMARK 3 20 1.8057 - 1.7751 0.98 2717 119 0.2761 0.2989 REMARK 3 21 1.7751 - 1.7465 0.98 2710 141 0.2994 0.3322 REMARK 3 22 1.7465 - 1.7196 0.98 2703 134 0.3150 0.3536 REMARK 3 23 1.7196 - 1.6944 0.98 2650 148 0.3277 0.3476 REMARK 3 24 1.6944 - 1.6705 0.97 2695 134 0.3359 0.3519 REMARK 3 25 1.6705 - 1.6479 0.98 2704 131 0.3453 0.3509 REMARK 3 26 1.6479 - 1.6265 0.97 2660 140 0.3681 0.3951 REMARK 3 27 1.6265 - 1.6062 0.97 2646 143 0.3631 0.3907 REMARK 3 28 1.6062 - 1.5869 0.96 2635 141 0.3726 0.3961 REMARK 3 29 1.5869 - 1.5684 0.95 2568 153 0.3862 0.3708 REMARK 3 30 1.5684 - 1.5508 0.81 2196 126 0.3878 0.3957 REMARK 3 REMARK 3 BULK SOLVENT MODELLING. REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL REMARK 3 SOLVENT RADIUS : 1.11 REMARK 3 SHRINKAGE RADIUS : 0.90 REMARK 3 K_SOL : NULL REMARK 3 B_SOL : NULL REMARK 3 REMARK 3 ERROR ESTIMATES. REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.240 REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 23.730 REMARK 3 REMARK 3 B VALUES. REMARK 3 FROM WILSON PLOT (A**2) : 16.72 REMARK 3 MEAN B VALUE (OVERALL, A**2) : 24.45 REMARK 3 OVERALL ANISOTROPIC B VALUE. REMARK 3 B11 (A**2) : NULL REMARK 3 B22 (A**2) : NULL REMARK 3 B33 (A**2) : NULL REMARK 3 B12 (A**2) : NULL REMARK 3 B13 (A**2) : NULL REMARK 3 B23 (A**2) : NULL REMARK 3 REMARK 3 TWINNING INFORMATION. REMARK 3 FRACTION: NULL REMARK 3 OPERATOR: NULL REMARK 3 REMARK 3 DEVIATIONS FROM IDEAL VALUES. REMARK 3 RMSD COUNT REMARK 3 BOND : 0.010 3520 REMARK 3 ANGLE : 1.188 4790 REMARK 3 CHIRALITY : 0.070 501 REMARK 3 PLANARITY : 0.008 625 REMARK 3 DIHEDRAL : 14.005 1282 REMARK 3 REMARK 3 TLS DETAILS REMARK 3 NUMBER OF TLS GROUPS : 12 REMARK 3 TLS GROUP : 1 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 302) AND (NAME O2 OR NAME N3 REMARK 3 OR NAME CA3 OR NAME C3 OR NAME O31 OR NAME O32) REMARK 3 ORIGIN FOR THE GROUP (A): 53.6207 38.4399 67.7933 REMARK 3 T TENSOR REMARK 3 T11: 0.5125 T22: 0.5785 REMARK 3 T33: 0.4575 T12: -0.1890 REMARK 3 T13: -0.1590 T23: 0.1922 REMARK 3 L TENSOR REMARK 3 L11: 2.0175 L22: 2.0194 REMARK 3 L33: 2.0026 L12: 1.9713 REMARK 3 L13: 1.9786 L23: 2.0096 REMARK 3 S TENSOR REMARK 3 S11: 0.0135 S12: -0.2126 S13: -1.3647 REMARK 3 S21: -2.3373 S22: 0.2245 S23: 1.0336 REMARK 3 S31: 1.2185 S32: -1.4737 S33: -0.1297 REMARK 3 TLS GROUP : 2 REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 301) AND (NAME CD1 OR NAME N2 REMARK 3 OR NAME CA2 OR NAME CB2 OR NAME SG2 OR NAME C2) REMARK 3 ORIGIN FOR THE GROUP (A): 55.8928 41.8018 70.9840 REMARK 3 T TENSOR REMARK 3 T11: 0.5512 T22: 0.4450 REMARK 3 T33: 0.3474 T12: -0.0017 REMARK 3 T13: -0.0074 T23: 0.1407 REMARK 3 L TENSOR REMARK 3 L11: 7.3135 L22: 4.8643 REMARK 3 L33: 5.1077 L12: -4.7064 REMARK 3 L13: 6.0856 L23: -3.6341 REMARK 3 S TENSOR REMARK 3 S11: 1.3166 S12: -1.0651 S13: -0.3558 REMARK 3 S21: 6.0096 S22: -1.4329 S23: -2.1891 REMARK 3 S31: 0.4811 S32: 0.0100 S33: 0.0092 REMARK 3 TLS GROUP : 3 REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 301) AND (NAME O2 OR NAME N3 REMARK 3 OR NAME CA3 OR NAME C3 OR NAME O31 OR NAME O32) REMARK 3 ORIGIN FOR THE GROUP (A): 59.2662 38.9960 72.5812 REMARK 3 T TENSOR REMARK 3 T11: 0.2292 T22: 0.4199 REMARK 3 T33: 0.2884 T12: 0.0146 REMARK 3 T13: -0.0339 T23: 0.0160 REMARK 3 L TENSOR REMARK 3 L11: 5.5559 L22: 5.3327 REMARK 3 L33: 1.9909 L12: 5.4434 REMARK 3 L13: 2.0030 L23: 1.9730 REMARK 3 S TENSOR REMARK 3 S11: 0.8427 S12: 1.2034 S13: 0.2290 REMARK 3 S21: -0.1183 S22: -0.7547 S23: -0.1512 REMARK 3 S31: 0.4513 S32: -1.0352 S33: -0.0713 REMARK 3 TLS GROUP : 4 REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 302) AND (NAME N1 OR NAME CA1 REMARK 3 OR NAME C1 OR NAME O11 OR NAME O12 OR NAME CB1 OR REMARK 3 NAME CG1 OR NAME O1) REMARK 3 ORIGIN FOR THE GROUP (A): 63.2656 40.7523 69.8783 REMARK 3 T TENSOR REMARK 3 T11: 0.1904 T22: 0.1976 REMARK 3 T33: 0.2190 T12: 0.0147 REMARK 3 T13: 0.0204 T23: 0.0566 REMARK 3 L TENSOR REMARK 3 L11: 4.3455 L22: 3.2403 REMARK 3 L33: 3.8773 L12: 3.7389 REMARK 3 L13: 3.7450 L23: 3.3340 REMARK 3 S TENSOR REMARK 3 S11: 0.3605 S12: -0.0577 S13: 0.5795 REMARK 3 S21: 0.2106 S22: -0.1437 S23: -0.2032 REMARK 3 S31: -0.4817 S32: -0.3137 S33: -0.1621 REMARK 3 TLS GROUP : 5 REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 302) AND (NAME CD1 OR NAME N2 REMARK 3 OR NAME CA2 OR NAME CB2 OR NAME SG2 OR NAME C2) REMARK 3 ORIGIN FOR THE GROUP (A): 58.7511 43.1752 68.6230 REMARK 3 T TENSOR REMARK 3 T11: 0.2429 T22: 0.3045 REMARK 3 T33: 0.1744 T12: 0.0237 REMARK 3 T13: 0.0110 T23: 0.1074 REMARK 3 L TENSOR REMARK 3 L11: 6.9154 L22: 9.7993 REMARK 3 L33: 7.9860 L12: 8.2308 REMARK 3 L13: 7.4304 L23: 8.8457 REMARK 3 S TENSOR REMARK 3 S11: 0.6965 S12: -0.6301 S13: 0.2670 REMARK 3 S21: -0.7332 S22: -0.3280 S23: 0.5542 REMARK 3 S31: -0.3171 S32: -1.9392 S33: -0.6147 REMARK 3 TLS GROUP : 6 REMARK 3 SELECTION: CHAIN 'A' AND (RESSEQ 302) AND (NAME O2 OR NAME N3 REMARK 3 OR NAME CA3 OR NAME C3 OR NAME O31 OR NAME O32) REMARK 3 ORIGIN FOR THE GROUP (A): 56.9010 41.3136 64.6031 REMARK 3 T TENSOR REMARK 3 T11: 0.1906 T22: 0.3936 REMARK 3 T33: 0.3665 T12: -0.0334 REMARK 3 T13: -0.0609 T23: -0.0748 REMARK 3 L TENSOR REMARK 3 L11: 6.1478 L22: 6.5610 REMARK 3 L33: 3.2139 L12: 6.3387 REMARK 3 L13: 1.9317 L23: 1.7183 REMARK 3 S TENSOR REMARK 3 S11: 0.5319 S12: -2.4274 S13: 0.3456 REMARK 3 S21: 0.3227 S22: -2.3000 S23: 2.5532 REMARK 3 S31: 0.8117 S32: -3.0531 S33: 1.7571 REMARK 3 TLS GROUP : 7 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 301) AND (NAME N1 OR NAME CA1 REMARK 3 OR NAME C1 OR NAME O11 OR NAME O12 OR NAME CB1 OR REMARK 3 NAME CG1 OR NAME O1) REMARK 3 ORIGIN FOR THE GROUP (A): 59.6996 23.4558 80.6936 REMARK 3 T TENSOR REMARK 3 T11: 0.2752 T22: 0.6438 REMARK 3 T33: 0.6637 T12: -0.0110 REMARK 3 T13: -0.0243 T23: 0.2476 REMARK 3 L TENSOR REMARK 3 L11: 2.0089 L22: 2.0227 REMARK 3 L33: 2.0479 L12: 1.9581 REMARK 3 L13: 2.0264 L23: 1.9575 REMARK 3 S TENSOR REMARK 3 S11: -1.1969 S12: -0.2436 S13: 1.5289 REMARK 3 S21: 0.4625 S22: -0.0947 S23: 1.2693 REMARK 3 S31: -0.6219 S32: -0.7278 S33: 1.3683 REMARK 3 TLS GROUP : 8 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 301) AND (NAME CD1 OR NAME N2 REMARK 3 OR NAME CA2 OR NAME CB2 OR NAME SG2 OR NAME C2) REMARK 3 ORIGIN FOR THE GROUP (A): 63.5957 22.6926 77.6172 REMARK 3 T TENSOR REMARK 3 T11: 0.4573 T22: 0.7257 REMARK 3 T33: 0.1773 T12: 0.2641 REMARK 3 T13: -0.0372 T23: 0.2490 REMARK 3 L TENSOR REMARK 3 L11: 1.9999 L22: 2.0010 REMARK 3 L33: 1.2294 L12: 2.0000 REMARK 3 L13: -2.0807 L23: -0.8269 REMARK 3 S TENSOR REMARK 3 S11: 2.6106 S12: 4.2468 S13: 1.3614 REMARK 3 S21: -2.1946 S22: -3.0748 S23: -2.3021 REMARK 3 S31: 0.9026 S32: 2.2043 S33: 0.4249 REMARK 3 TLS GROUP : 9 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 301) AND (NAME O2 OR NAME N3 REMARK 3 OR NAME CA3 OR NAME C3 OR NAME O31 OR NAME O32) REMARK 3 ORIGIN FOR THE GROUP (A): 64.0532 27.0999 75.9532 REMARK 3 T TENSOR REMARK 3 T11: 0.3176 T22: 0.3238 REMARK 3 T33: 0.3024 T12: -0.0360 REMARK 3 T13: 0.0857 T23: 0.0742 REMARK 3 L TENSOR REMARK 3 L11: 1.7663 L22: 6.2223 REMARK 3 L33: 4.3299 L12: 2.3112 REMARK 3 L13: 1.2518 L23: 4.9554 REMARK 3 S TENSOR REMARK 3 S11: 0.6305 S12: -0.7304 S13: -0.1552 REMARK 3 S21: 0.9234 S22: -1.2812 S23: 0.3447 REMARK 3 S31: 0.1072 S32: -0.4706 S33: 0.6376 REMARK 3 TLS GROUP : 10 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 302) AND (NAME N1 OR NAME CA1 REMARK 3 OR NAME C1 OR NAME O11 OR NAME O12 OR NAME CB1 OR REMARK 3 NAME CG1 OR NAME O1) REMARK 3 ORIGIN FOR THE GROUP (A): 68.1264 28.5707 78.6746 REMARK 3 T TENSOR REMARK 3 T11: 0.1692 T22: 0.2314 REMARK 3 T33: 0.2604 T12: -0.0282 REMARK 3 T13: 0.0158 T23: 0.0456 REMARK 3 L TENSOR REMARK 3 L11: 2.0000 L22: 1.9988 REMARK 3 L33: 5.2587 L12: 2.0014 REMARK 3 L13: 2.0023 L23: 1.9991 REMARK 3 S TENSOR REMARK 3 S11: 0.3837 S12: 0.4279 S13: 0.0585 REMARK 3 S21: -0.2283 S22: -0.1949 S23: -0.5175 REMARK 3 S31: 0.0076 S32: -0.0919 S33: -0.2100 REMARK 3 TLS GROUP : 11 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 302) AND (NAME CD1 OR NAME N2 REMARK 3 OR NAME CA2 OR NAME CB2 OR NAME SG2 OR NAME C2) REMARK 3 ORIGIN FOR THE GROUP (A): 66.5996 23.7154 79.9559 REMARK 3 T TENSOR REMARK 3 T11: 0.3345 T22: 0.2309 REMARK 3 T33: 0.2175 T12: 0.0113 REMARK 3 T13: -0.0393 T23: 0.0286 REMARK 3 L TENSOR REMARK 3 L11: 5.8271 L22: 5.7266 REMARK 3 L33: 4.1889 L12: 4.7334 REMARK 3 L13: -3.5123 L23: -0.8766 REMARK 3 S TENSOR REMARK 3 S11: 0.0974 S12: 0.7957 S13: -0.8606 REMARK 3 S21: 2.0552 S22: -0.2280 S23: 0.0804 REMARK 3 S31: 2.1440 S32: -0.5857 S33: 0.1484 REMARK 3 TLS GROUP : 12 REMARK 3 SELECTION: CHAIN 'B' AND (RESSEQ 302) AND (NAME O2 OR NAME N3 REMARK 3 OR NAME CA3 OR NAME C3 OR NAME O31 OR NAME O32) REMARK 3 ORIGIN FOR THE GROUP (A): 63.9258 23.7450 83.9661 REMARK 3 T TENSOR REMARK 3 T11: 0.3744 T22: 0.2631 REMARK 3 T33: 0.2759 T12: -0.1023 REMARK 3 T13: 0.1042 T23: 0.0158 REMARK 3 L TENSOR REMARK 3 L11: 5.7894 L22: 0.2751 REMARK 3 L33: 5.3427 L12: -1.0371 REMARK 3 L13: 4.6226 L23: -1.2118 REMARK 3 S TENSOR REMARK 3 S11: -1.2197 S12: 0.7022 S13: -3.8674 REMARK 3 S21: 0.5990 S22: -0.0833 S23: 1.3138 REMARK 3 S31: 1.0683 S32: -1.5738 S33: 1.2727 REMARK 3 REMARK 3 NCS DETAILS REMARK 3 NUMBER OF NCS GROUPS : NULL REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 5HFK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-JAN-16. REMARK 100 THE DEPOSITION ID IS D_1000203964. REMARK 200 REMARK 200 EXPERIMENTAL DETAILS REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION REMARK 200 DATE OF DATA COLLECTION : 13-JUN-14 REMARK 200 TEMPERATURE (KELVIN) : 100 REMARK 200 PH : 6.5 REMARK 200 NUMBER OF CRYSTALS USED : NULL REMARK 200 REMARK 200 SYNCHROTRON (Y/N) : Y REMARK 200 RADIATION SOURCE : APS REMARK 200 BEAMLINE : 31-ID REMARK 200 X-RAY GENERATOR MODEL : NULL REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M REMARK 200 WAVELENGTH OR RANGE (A) : 0.97931 REMARK 200 MONOCHROMATOR : GRAPHITE REMARK 200 OPTICS : MIRRORS REMARK 200 REMARK 200 DETECTOR TYPE : CCD REMARK 200 DETECTOR MANUFACTURER : RAYONIX MX225HE REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 2.0.0 REMARK 200 DATA SCALING SOFTWARE : SCALEPACK 1.99.2 REMARK 200 REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 86041 REMARK 200 RESOLUTION RANGE HIGH (A) : 1.550 REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL REMARK 200 REMARK 200 OVERALL. REMARK 200 COMPLETENESS FOR RANGE (%) : 98.2 REMARK 200 DATA REDUNDANCY : 7.100 REMARK 200 R MERGE (I) : 0.09300 REMARK 200 R SYM (I) : NULL REMARK 200 FOR THE DATA SET : 11.6000 REMARK 200 REMARK 200 IN THE HIGHEST RESOLUTION SHELL. REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.55 REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.61 REMARK 200 COMPLETENESS FOR SHELL (%) : 92.5 REMARK 200 DATA REDUNDANCY IN SHELL : 3.30 REMARK 200 R MERGE FOR SHELL (I) : 0.42100 REMARK 200 R SYM FOR SHELL (I) : NULL REMARK 200 FOR SHELL : 2.653 REMARK 200 REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT REMARK 200 SOFTWARE USED: PHASES 2.5.1 REMARK 200 STARTING MODEL: 3GX0 REMARK 200 REMARK 200 REMARK: NULL REMARK 280 REMARK 280 CRYSTAL REMARK 280 SOLVENT CONTENT, VS (%): 59.73 REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.75 REMARK 280 REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN (18.49 MG/ML, 20 MM HEPES PH REMARK 280 7.5, 0.150 M SODIUM CHLORIDE, 5% V/V GLYCEROL, 4.5 MM DTT, 5 MM REMARK 280 REDUCED GLUTATHIONE) WERE COMBINED WITH AN EQUAL VOLUME OF REMARK 280 RESERVOIR (100 MM BIS-TRIS PH 6.5, 100 MM MAGNESIUM CHLORIDE, REMARK 280 2.8 M SODIUM CHLORIDE); CRYOPROTECTION (EQUAL VOLUMES OF REMARK 280 RESERVOIR + 50% V/V GLYCEROL), VAPOR DIFFUSION, SITTING DROP, REMARK 280 TEMPERATURE 298K REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 41 21 2 REMARK 290 REMARK 290 SYMOP SYMMETRY REMARK 290 NNNMMM OPERATOR REMARK 290 1555 X,Y,Z REMARK 290 2555 -X,-Y,Z+1/2 REMARK 290 3555 -Y+1/2,X+1/2,Z+1/4 REMARK 290 4555 Y+1/2,-X+1/2,Z+3/4 REMARK 290 5555 -X+1/2,Y+1/2,-Z+1/4 REMARK 290 6555 X+1/2,-Y+1/2,-Z+3/4 REMARK 290 7555 Y,X,-Z REMARK 290 8555 -Y,-X,-Z+1/2 REMARK 290 REMARK 290 WHERE NNN -> OPERATOR NUMBER REMARK 290 MMM -> TRANSLATION VECTOR REMARK 290 REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY REMARK 290 RELATED MOLECULES. REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 85.57650 REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 41.63350 REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 41.63350 REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 42.78825 REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 41.63350 REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 41.63350 REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 128.36475 REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 41.63350 REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 41.63350 REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 42.78825 REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 41.63350 REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 41.63350 REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 128.36475 REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 0.00000 REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 0.00000 REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 85.57650 REMARK 290 REMARK 290 REMARK: NULL REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 6740 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 15880 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -38.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 REMARK 465 M RES C SSSEQI REMARK 465 MET A -21 REMARK 465 HIS A -20 REMARK 465 HIS A -19 REMARK 465 HIS A -18 REMARK 465 HIS A -17 REMARK 465 HIS A -16 REMARK 465 HIS A -15 REMARK 465 SER A -14 REMARK 465 SER A -13 REMARK 465 GLY A -12 REMARK 465 VAL A -11 REMARK 465 ASP A -10 REMARK 465 LEU A -9 REMARK 465 GLY A -8 REMARK 465 THR A -7 REMARK 465 GLU A -6 REMARK 465 ASN A -5 REMARK 465 LEU A -4 REMARK 465 TYR A -3 REMARK 465 PHE A -2 REMARK 465 GLN A -1 REMARK 465 SER A 0 REMARK 465 LEU A 208 REMARK 465 GLY A 209 REMARK 465 ASP A 210 REMARK 465 GLU A 211 REMARK 465 ARG A 212 REMARK 465 SER A 213 REMARK 465 ASP A 214 REMARK 465 SER A 215 REMARK 465 MET B -21 REMARK 465 HIS B -20 REMARK 465 HIS B -19 REMARK 465 HIS B -18 REMARK 465 HIS B -17 REMARK 465 HIS B -16 REMARK 465 HIS B -15 REMARK 465 SER B -14 REMARK 465 SER B -13 REMARK 465 GLY B -12 REMARK 465 VAL B -11 REMARK 465 ASP B -10 REMARK 465 LEU B -9 REMARK 465 GLY B -8 REMARK 465 THR B -7 REMARK 465 GLU B -6 REMARK 465 ASN B -5 REMARK 465 LEU B -4 REMARK 465 TYR B -3 REMARK 465 PHE B -2 REMARK 465 GLN B -1 REMARK 465 SER B 0 REMARK 465 ALA B 206 REMARK 465 GLN B 207 REMARK 465 LEU B 208 REMARK 465 GLY B 209 REMARK 465 ASP B 210 REMARK 465 GLU B 211 REMARK 465 ARG B 212 REMARK 465 SER B 213 REMARK 465 ASP B 214 REMARK 465 SER B 215 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 GLU A 71 110.62 78.68 REMARK 500 GLU B 71 111.28 78.04 REMARK 500 REMARK 500 REMARK: NULL REMARK 525 REMARK 525 SOLVENT REMARK 525 REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER; REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE REMARK 525 NUMBER; I=INSERTION CODE): REMARK 525 REMARK 525 M RES CSSEQI REMARK 525 HOH B 567 DISTANCE = 6.18 ANGSTROMS REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GSH A 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GSH A 302 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GSH B 301 REMARK 800 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: binding site for residue GSH B 302 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: EFI-507414 RELATED DB: TARGETTRACK REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE SEQUENCE MATCHES TO GENBANK ACCESSION #NP_311213.1 DBREF 5HFK A 1 215 UNP P77526 YFCG_ECOLI 1 215 DBREF 5HFK B 1 215 UNP P77526 YFCG_ECOLI 1 215 SEQADV 5HFK MET A -21 UNP P77526 INITIATING METHIONINE SEQADV 5HFK HIS A -20 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS A -19 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS A -18 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS A -17 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS A -16 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS A -15 UNP P77526 EXPRESSION TAG SEQADV 5HFK SER A -14 UNP P77526 EXPRESSION TAG SEQADV 5HFK SER A -13 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLY A -12 UNP P77526 EXPRESSION TAG SEQADV 5HFK VAL A -11 UNP P77526 EXPRESSION TAG SEQADV 5HFK ASP A -10 UNP P77526 EXPRESSION TAG SEQADV 5HFK LEU A -9 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLY A -8 UNP P77526 EXPRESSION TAG SEQADV 5HFK THR A -7 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLU A -6 UNP P77526 EXPRESSION TAG SEQADV 5HFK ASN A -5 UNP P77526 EXPRESSION TAG SEQADV 5HFK LEU A -4 UNP P77526 EXPRESSION TAG SEQADV 5HFK TYR A -3 UNP P77526 EXPRESSION TAG SEQADV 5HFK PHE A -2 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLN A -1 UNP P77526 EXPRESSION TAG SEQADV 5HFK SER A 0 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLY A 23 UNP P77526 GLU 23 CONFLICT SEQADV 5HFK LEU A 45 UNP P77526 ARG 45 CONFLICT SEQADV 5HFK MET B -21 UNP P77526 INITIATING METHIONINE SEQADV 5HFK HIS B -20 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS B -19 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS B -18 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS B -17 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS B -16 UNP P77526 EXPRESSION TAG SEQADV 5HFK HIS B -15 UNP P77526 EXPRESSION TAG SEQADV 5HFK SER B -14 UNP P77526 EXPRESSION TAG SEQADV 5HFK SER B -13 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLY B -12 UNP P77526 EXPRESSION TAG SEQADV 5HFK VAL B -11 UNP P77526 EXPRESSION TAG SEQADV 5HFK ASP B -10 UNP P77526 EXPRESSION TAG SEQADV 5HFK LEU B -9 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLY B -8 UNP P77526 EXPRESSION TAG SEQADV 5HFK THR B -7 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLU B -6 UNP P77526 EXPRESSION TAG SEQADV 5HFK ASN B -5 UNP P77526 EXPRESSION TAG SEQADV 5HFK LEU B -4 UNP P77526 EXPRESSION TAG SEQADV 5HFK TYR B -3 UNP P77526 EXPRESSION TAG SEQADV 5HFK PHE B -2 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLN B -1 UNP P77526 EXPRESSION TAG SEQADV 5HFK SER B 0 UNP P77526 EXPRESSION TAG SEQADV 5HFK GLY B 23 UNP P77526 GLU 23 CONFLICT SEQADV 5HFK LEU B 45 UNP P77526 ARG 45 CONFLICT SEQRES 1 A 237 MET HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU SEQRES 2 A 237 GLY THR GLU ASN LEU TYR PHE GLN SER MET ILE ASP LEU SEQRES 3 A 237 TYR PHE ALA PRO THR PRO ASN GLY HIS LYS ILE THR LEU SEQRES 4 A 237 PHE LEU GLU GLU ALA GLY LEU ASP TYR ARG LEU ILE LYS SEQRES 5 A 237 VAL ASP LEU GLY LYS GLY GLY GLN PHE ARG PRO GLU PHE SEQRES 6 A 237 LEU LEU ILE SER PRO ASN ASN LYS ILE PRO ALA ILE VAL SEQRES 7 A 237 ASP HIS SER PRO ALA ASP GLY GLY GLU PRO LEU SER LEU SEQRES 8 A 237 PHE GLU SER GLY ALA ILE LEU LEU TYR LEU ALA GLU LYS SEQRES 9 A 237 THR GLY LEU PHE LEU SER HIS GLU THR ARG GLU ARG ALA SEQRES 10 A 237 ALA THR LEU GLN TRP LEU PHE TRP GLN VAL GLY GLY LEU SEQRES 11 A 237 GLY PRO MET LEU GLY GLN ASN HIS HIS PHE ASN HIS ALA SEQRES 12 A 237 ALA PRO GLN THR ILE PRO TYR ALA ILE GLU ARG TYR GLN SEQRES 13 A 237 VAL GLU THR GLN ARG LEU TYR HIS VAL LEU ASN LYS ARG SEQRES 14 A 237 LEU GLU ASN SER PRO TRP LEU GLY GLY GLU ASN TYR SER SEQRES 15 A 237 ILE ALA ASP ILE ALA CYS TRP PRO TRP VAL ASN ALA TRP SEQRES 16 A 237 THR ARG GLN ARG ILE ASP LEU ALA MET TYR PRO ALA VAL SEQRES 17 A 237 LYS ASN TRP HIS GLU ARG ILE ARG SER ARG PRO ALA THR SEQRES 18 A 237 GLY GLN ALA LEU LEU LYS ALA GLN LEU GLY ASP GLU ARG SEQRES 19 A 237 SER ASP SER SEQRES 1 B 237 MET HIS HIS HIS HIS HIS HIS SER SER GLY VAL ASP LEU SEQRES 2 B 237 GLY THR GLU ASN LEU TYR PHE GLN SER MET ILE ASP LEU SEQRES 3 B 237 TYR PHE ALA PRO THR PRO ASN GLY HIS LYS ILE THR LEU SEQRES 4 B 237 PHE LEU GLU GLU ALA GLY LEU ASP TYR ARG LEU ILE LYS SEQRES 5 B 237 VAL ASP LEU GLY LYS GLY GLY GLN PHE ARG PRO GLU PHE SEQRES 6 B 237 LEU LEU ILE SER PRO ASN ASN LYS ILE PRO ALA ILE VAL SEQRES 7 B 237 ASP HIS SER PRO ALA ASP GLY GLY GLU PRO LEU SER LEU SEQRES 8 B 237 PHE GLU SER GLY ALA ILE LEU LEU TYR LEU ALA GLU LYS SEQRES 9 B 237 THR GLY LEU PHE LEU SER HIS GLU THR ARG GLU ARG ALA SEQRES 10 B 237 ALA THR LEU GLN TRP LEU PHE TRP GLN VAL GLY GLY LEU SEQRES 11 B 237 GLY PRO MET LEU GLY GLN ASN HIS HIS PHE ASN HIS ALA SEQRES 12 B 237 ALA PRO GLN THR ILE PRO TYR ALA ILE GLU ARG TYR GLN SEQRES 13 B 237 VAL GLU THR GLN ARG LEU TYR HIS VAL LEU ASN LYS ARG SEQRES 14 B 237 LEU GLU ASN SER PRO TRP LEU GLY GLY GLU ASN TYR SER SEQRES 15 B 237 ILE ALA ASP ILE ALA CYS TRP PRO TRP VAL ASN ALA TRP SEQRES 16 B 237 THR ARG GLN ARG ILE ASP LEU ALA MET TYR PRO ALA VAL SEQRES 17 B 237 LYS ASN TRP HIS GLU ARG ILE ARG SER ARG PRO ALA THR SEQRES 18 B 237 GLY GLN ALA LEU LEU LYS ALA GLN LEU GLY ASP GLU ARG SEQRES 19 B 237 SER ASP SER HET GSH A 301 20 HET GSH A 302 20 HET GSH B 301 20 HET GSH B 302 20 HETNAM GSH GLUTATHIONE FORMUL 3 GSH 4(C10 H17 N3 O6 S) FORMUL 7 HOH *361(H2 O) HELIX 1 AA1 THR A 9 GLY A 23 1 15 HELIX 2 AA2 ASP A 32 PHE A 39 5 8 HELIX 3 AA3 ARG A 40 LEU A 45 1 6 HELIX 4 AA4 GLU A 71 GLY A 84 1 14 HELIX 5 AA5 GLU A 90 GLY A 107 1 18 HELIX 6 AA6 GLY A 107 ALA A 121 1 15 HELIX 7 AA7 ILE A 126 GLU A 149 1 24 HELIX 8 AA8 SER A 160 ASN A 171 1 12 HELIX 9 AA9 ALA A 172 GLN A 176 5 5 HELIX 10 AB1 ASP A 179 MET A 182 5 4 HELIX 11 AB2 TYR A 183 SER A 195 1 13 HELIX 12 AB3 ARG A 196 ALA A 206 1 11 HELIX 13 AB4 THR B 9 GLY B 23 1 15 HELIX 14 AB5 ASP B 32 PHE B 39 5 8 HELIX 15 AB6 ARG B 40 LEU B 45 1 6 HELIX 16 AB7 GLU B 71 GLY B 84 1 14 HELIX 17 AB8 GLU B 90 GLY B 107 1 18 HELIX 18 AB9 GLY B 107 ALA B 121 1 15 HELIX 19 AC1 ILE B 126 GLU B 149 1 24 HELIX 20 AC2 SER B 160 ASN B 171 1 12 HELIX 21 AC3 ALA B 172 ARG B 177 5 6 HELIX 22 AC4 ASP B 179 MET B 182 5 4 HELIX 23 AC5 TYR B 183 SER B 195 1 13 HELIX 24 AC6 ARG B 196 LYS B 205 1 10 SHEET 1 AA1 4 TYR A 26 LYS A 30 0 SHEET 2 AA1 4 ILE A 2 PHE A 6 1 N LEU A 4 O ILE A 29 SHEET 3 AA1 4 ALA A 54 ASP A 57 -1 O ALA A 54 N TYR A 5 SHEET 4 AA1 4 LEU A 67 PHE A 70 -1 O LEU A 67 N ASP A 57 SHEET 1 AA2 4 TYR B 26 LYS B 30 0 SHEET 2 AA2 4 ILE B 2 PHE B 6 1 N LEU B 4 O ILE B 29 SHEET 3 AA2 4 ALA B 54 ASP B 57 -1 O ALA B 54 N TYR B 5 SHEET 4 AA2 4 LEU B 67 PHE B 70 -1 O LEU B 67 N ASP B 57 CISPEP 1 ILE A 52 PRO A 53 0 -2.21 CISPEP 2 ILE B 52 PRO B 53 0 -1.50 SITE *** AC1 13 ASN A 11 GLY A 109 PRO A 110 GLY A 113 SITE *** AC1 13 TRP A 169 GSH A 302 HOH A 416 HOH A 428 SITE *** AC1 13 HOH A 474 HOH A 477 HOH A 501 ARG B 132 SITE *** AC1 13 HOH B 430 SITE *** AC2 16 THR A 9 ASN A 11 GLN A 38 ASN A 50 SITE *** AC2 16 LYS A 51 ILE A 52 PRO A 53 GLU A 71 SITE *** AC2 16 SER A 72 GSH A 301 HOH A 423 HOH A 428 SITE *** AC2 16 HOH A 467 HOH A 476 HOH A 482 HOH A 535 SITE *** AC3 13 ARG A 132 HOH A 459 ASN B 11 GLY B 109 SITE *** AC3 13 PRO B 110 GLY B 113 TRP B 169 GSH B 302 SITE *** AC3 13 HOH B 418 HOH B 427 HOH B 463 HOH B 465 SITE *** AC3 13 HOH B 492 SITE *** AC4 16 THR B 9 ASN B 11 GLN B 38 ASN B 50 SITE *** AC4 16 LYS B 51 ILE B 52 PRO B 53 GLU B 71 SITE *** AC4 16 SER B 72 GSH B 301 HOH B 418 HOH B 431 SITE *** AC4 16 HOH B 443 HOH B 474 HOH B 486 HOH B 516 CRYST1 83.267 83.267 171.153 90.00 90.00 90.00 P 41 21 2 16 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 0.012010 0.000000 0.000000 0.00000 SCALE2 0.000000 0.012010 0.000000 0.00000 SCALE3 0.000000 0.000000 0.005843 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 301 GSH H32 : A 301 GSH O32 : A 301 GSH C3 :(short bond) USER MOD NoAdj-H: A 301 GSH H12 : A 301 GSH O12 : A 301 GSH C1 :(short bond) USER MOD NoAdj-H: A 302 GSH H32 : A 302 GSH O32 : A 302 GSH C3 :(short bond) USER MOD NoAdj-H: A 302 GSH H12 : A 302 GSH O12 : A 302 GSH C1 :(short bond) USER MOD NoAdj-H: B 301 GSH H32 : B 301 GSH O32 : B 301 GSH C3 :(short bond) USER MOD NoAdj-H: B 301 GSH H12 : B 301 GSH O12 : B 301 GSH C1 :(short bond) USER MOD NoAdj-H: B 302 GSH H32 : B 302 GSH O32 : B 302 GSH C3 :(short bond) USER MOD NoAdj-H: B 302 GSH H12 : B 302 GSH O12 : B 302 GSH C1 :(short bond) USER MOD Set 1.1: B 9 THR OG1 : rot 151:sc= 0.952 USER MOD Set 1.2: B 11 ASN : amide:sc= 1.49 K(o=-3.2,f=-11!) USER MOD Set 1.3: B 14 LYS NZ :NH3+ -139:sc= 2.3 (180deg=0.366) USER MOD Set 1.4: B 72 SER OG : rot -54:sc= 2.14 USER MOD Set 1.5: B 104 GLN : amide:sc= -0.342 K(o=-3.2,f=-12!) USER MOD Set 1.6: B 301 GSH SG2 : rot -58:sc= -6.76! USER MOD Set 1.7: B 302 GSH SG2 : rot -102:sc= -2.95! USER MOD Set 2.1: B 171 ASN : amide:sc= 0.626 K(o=1.2,f=2.2) USER MOD Set 2.2: B 190 HIS : no HD1:sc= 0.584 K(o=1.2,f=-5.1!) USER MOD Set 3.1: B 116 HIS : no HE2:sc= 0.335 K(o=3,f=-3.3) USER MOD Set 3.2: B 141 TYR OH : rot 20:sc= 1.09 USER MOD Set 3.3: B 176 GLN : amide:sc= 1.59 K(o=3,f=-0.057) USER MOD Set 4.1: A 114 GLN : amide:sc= 1.62 K(o=2.9,f=-0.95!) USER MOD Set 4.2: B 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.3: B 133 TYR OH : rot -15:sc= 1.3 USER MOD Set 5.1: B 115 ASN : amide:sc= -0.496 K(o=1.1,f=-2.7!) USER MOD Set 5.2: B 137 THR OG1 : rot 90:sc= 1.64 USER MOD Set 6.1: A 9 THR OG1 : rot 151:sc= 0.942 USER MOD Set 6.2: A 11 ASN : amide:sc= 2.09 K(o=-3.9,f=-12!) USER MOD Set 6.3: A 14 LYS NZ :NH3+ -139:sc= 2.22 (180deg=0.298) USER MOD Set 6.4: A 72 SER OG : rot -98:sc= 2.07 USER MOD Set 6.5: A 104 GLN : amide:sc= -0.226 K(o=-3.9,f=-13!) USER MOD Set 6.6: A 301 GSH SG2 : rot -71:sc= -6.07! USER MOD Set 6.7: A 302 GSH SG2 : rot -102:sc= -4.89! USER MOD Set 7.1: A 116 HIS : no HE2:sc= 0.425 K(o=3,f=-2.8) USER MOD Set 7.2: A 141 TYR OH : rot 18:sc= 1.16 USER MOD Set 7.3: A 176 GLN : amide:sc= 1.37 K(o=3,f=0.28) USER MOD Set 8.1: A 171 ASN : amide:sc= 2.15 K(o=4,f=4.6) USER MOD Set 8.2: A 190 HIS : no HD1:sc= 1.85 K(o=4,f=-6.5!) USER MOD Set 9.1: A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 9.2: A 133 TYR OH : rot -8:sc= 1.3 USER MOD Set 9.3: B 114 GLN : amide:sc= 1.6 K(o=2.9,f=-0.98!) USER MOD Set10.1: A 128 TYR OH : rot -164:sc= 1.16 USER MOD Set10.2: B 117 HIS : no HE2:sc= 1.55 K(o=2.7,f=-10!) USER MOD Set11.1: A 117 HIS : no HE2:sc= 1.32 K(o=2.6,f=-6.9!) USER MOD Set11.2: B 128 TYR OH : rot 166:sc= 1.33 USER MOD Set12.1: A 115 ASN : amide:sc= -0.69 K(o=0.85,f=-3.3!) USER MOD Set12.2: A 137 THR OG1 : rot 94:sc= 1.54 USER MOD Set13.1: A 59 SER OG : rot 67:sc= 0.641 USER MOD Set13.2: A 82 LYS NZ :NH3+ -167:sc= 1.75 (180deg=1.48) USER MOD Set14.1: A 26 TYR OH : rot 18:sc= 1.3 USER MOD Set14.2: A 205 LYS NZ :NH3+ -162:sc= 0.746 (180deg=0.607) USER MOD Single : A 1 MET CE :methyl 173:sc= -0.17 (180deg=-0.318) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 1.25 USER MOD Single : A 13 HIS : no HE2:sc= -0.205 K(o=-0.21,f=-5.9!) USER MOD Single : A 16 THR OG1 : rot -168:sc= 1.05 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 1.11 K(o=1.1,f=-8.3!) USER MOD Single : A 47 SER OG : rot -167:sc= 1.27 USER MOD Single : A 49 ASN : amide:sc= 1.65 K(o=1.7,f=-3.8!) USER MOD Single : A 50 ASN : amide:sc= 0.775 K(o=0.78,f=-3!) USER MOD Single : A 51 LYS NZ :NH3+ -173:sc= 1.46 (180deg=1.45) USER MOD Single : A 58 HIS : no HD1:sc= 0.908 K(o=0.91,f=-2.9!) USER MOD Single : A 68 SER OG : rot -132:sc= 0.652 USER MOD Single : A 78 TYR OH : rot -163:sc= 2.31 USER MOD Single : A 83 THR OG1 : rot -74:sc= 0.923 USER MOD Single : A 88 SER OG : rot 170:sc= 0.322 USER MOD Single : A 89 HIS : no HE2:sc= 2.12 K(o=2.1,f=-0.006) USER MOD Single : A 91 THR OG1 : rot -79:sc= 0.334 USER MOD Single : A 97 THR OG1 : rot 77:sc= 2.13 USER MOD Single : A 99 GLN : amide:sc= -0.842 K(o=-0.84,f=-6.3!) USER MOD Single : A 119 ASN : amide:sc= 1.06 K(o=1.1,f=-3.7!) USER MOD Single : A 120 HIS : no HD1:sc= 0.843 K(o=0.84,f=-2.7!) USER MOD Single : A 124 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 1.18 K(o=1.2,f=-1.1) USER MOD Single : A 138 GLN : amide:sc=-0.00791 K(o=-0.0079,f=-1.1) USER MOD Single : A 142 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 145 ASN : amide:sc= -0.0645 K(o=-0.065,f=-5.2!) USER MOD Single : A 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 ASN : amide:sc= 0.859 K(o=0.86,f=-1) USER MOD Single : A 151 SER OG : rot -111:sc= 2.16 USER MOD Single : A 158 ASN : amide:sc= 0.493 X(o=0.49,f=0) USER MOD Single : A 159 TYR OH : rot 173:sc= 1.43 USER MOD Single : A 160 SER OG : rot -94:sc= 1 USER MOD Single : A 166 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 174 THR OG1 : rot 180:sc= 0 USER MOD Single : A 182 MET CE :methyl -128:sc= -0.308 (180deg=-1.45) USER MOD Single : A 183 TYR OH : rot 17:sc= 1.31 USER MOD Single : A 187 LYS NZ :NH3+ -169:sc=-0.00827 (180deg=-0.137) USER MOD Single : A 188 ASN : amide:sc= 1.02 K(o=1,f=-0.39!) USER MOD Single : A 195 SER OG : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 149:sc= 2.1 USER MOD Single : A 201 GLN : amide:sc= 0.195 X(o=0.2,f=0) USER MOD Single : A 207 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : B 1 MET CE :methyl 174:sc= -0.0202 (180deg=-0.0874) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 TYR OH : rot 180:sc= 1.28 USER MOD Single : B 13 HIS : no HE2:sc= 1.31 K(o=1.3,f=-3!) USER MOD Single : B 16 THR OG1 : rot -143:sc= 1.33 USER MOD Single : B 26 TYR OH : rot -1:sc= 1.31 USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 38 GLN : amide:sc= 1.09 K(o=1.1,f=-8.5!) USER MOD Single : B 47 SER OG : rot -170:sc= 1.17 USER MOD Single : B 49 ASN : amide:sc= 1.15 K(o=1.1,f=-2.9!) USER MOD Single : B 50 ASN : amide:sc= 0.617 K(o=0.62,f=-2.7!) USER MOD Single : B 51 LYS NZ :NH3+ -177:sc= 1.93 (180deg=1.9) USER MOD Single : B 58 HIS : no HD1:sc= 2 K(o=2,f=-4.1!) USER MOD Single : B 59 SER OG : rot 65:sc= 0.595 USER MOD Single : B 68 SER OG : rot -85:sc= 2.3 USER MOD Single : B 78 TYR OH : rot -152:sc= 2.53 USER MOD Single : B 82 LYS NZ :NH3+ -166:sc= 1.64 (180deg=1.29) USER MOD Single : B 83 THR OG1 : rot -74:sc= 0.952 USER MOD Single : B 88 SER OG : rot 31:sc= 1.07 USER MOD Single : B 89 HIS : no HE2:sc= 2.16 K(o=2.2,f=-0.95) USER MOD Single : B 91 THR OG1 : rot 180:sc= 0.0267 USER MOD Single : B 97 THR OG1 : rot 76:sc= 2 USER MOD Single : B 99 GLN : amide:sc= -1.53 K(o=-1.5,f=-6.7!) USER MOD Single : B 119 ASN : amide:sc= 1.53 K(o=1.5,f=-0.28) USER MOD Single : B 120 HIS : no HD1:sc= 1.24 K(o=1.2,f=-3.8!) USER MOD Single : B 124 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 125 THR OG1 : rot 180:sc= 0 USER MOD Single : B 134 GLN : amide:sc= 1.57 K(o=1.6,f=-0.61) USER MOD Single : B 138 GLN : amide:sc= -0.0171 K(o=-0.017,f=-1.1) USER MOD Single : B 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 145 ASN : amide:sc= -0.0246 K(o=-0.025,f=-5.3!) USER MOD Single : B 146 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 150 ASN : amide:sc= -0.709 K(o=-0.71,f=-3.5!) USER MOD Single : B 151 SER OG : rot -111:sc= 2.17 USER MOD Single : B 158 ASN : amide:sc= 0.598 K(o=0.6,f=0) USER MOD Single : B 159 TYR OH : rot 121:sc= 1.37 USER MOD Single : B 160 SER OG : rot -96:sc= 1.04 USER MOD Single : B 166 CYS SG : rot 83:sc= -0.0877 USER MOD Single : B 174 THR OG1 : rot -83:sc= 1.29 USER MOD Single : B 182 MET CE :methyl -159:sc= -0.325 (180deg=-1.1) USER MOD Single : B 183 TYR OH : rot 180:sc= 1.05 USER MOD Single : B 187 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0242) USER MOD Single : B 188 ASN : amide:sc= 0.094 K(o=0.094,f=-1.3) USER MOD Single : B 195 SER OG : rot 79:sc= 0.229 USER MOD Single : B 199 THR OG1 : rot 157:sc= 1.85 USER MOD Single : B 201 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.28) USER MOD Single : B 205 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 76.045 58.676 63.358 1.00 48.97 N ANISOU 1 N MET A 1 6583 6152 5870 -2188 26 -98 N ATOM 2 CA MET A 1 74.596 58.680 63.340 1.00 45.16 C ANISOU 2 CA MET A 1 6171 5216 5773 -1476 597 333 C ATOM 3 C MET A 1 74.061 57.249 63.377 1.00 33.95 C ANISOU 3 C MET A 1 4735 3895 4271 -952 665 192 C ATOM 4 O MET A 1 74.519 56.368 62.636 1.00 33.58 O ANISOU 4 O MET A 1 4541 4009 4210 -1075 780 312 O ATOM 5 CB MET A 1 74.069 59.421 62.104 1.00 52.56 C ANISOU 5 CB MET A 1 7241 5890 6841 -804 1055 828 C ATOM 6 CG MET A 1 72.590 59.771 62.161 1.00 62.67 C ANISOU 6 CG MET A 1 8563 7531 7717 -424 1176 939 C ATOM 7 SD MET A 1 72.158 60.673 63.665 1.00 67.66 S ANISOU 7 SD MET A 1 9747 7794 8165 -806 1214 821 S ATOM 8 CE MET A 1 70.428 61.030 63.381 1.00 65.12 C ANISOU 8 CE MET A 1 9673 6675 8393 -1582 1328 730 C ATOM 0 H1 MET A 1 76.345 59.514 63.336 1.00 48.97 H new ATOM 0 H2 MET A 1 76.332 58.278 64.101 1.00 48.97 H new ATOM 0 H3 MET A 1 76.350 58.234 62.648 1.00 48.97 H new ATOM 0 HA MET A 1 74.282 59.148 64.129 1.00 45.16 H new ATOM 0 HB2 MET A 1 74.579 60.238 61.989 1.00 52.56 H new ATOM 0 HB3 MET A 1 74.230 58.874 61.320 1.00 52.56 H new ATOM 0 HG2 MET A 1 72.356 60.306 61.387 1.00 62.67 H new ATOM 0 HG3 MET A 1 72.065 58.957 62.112 1.00 62.67 H new ATOM 0 HE1 MET A 1 70.043 61.424 64.179 1.00 65.12 H new ATOM 0 HE2 MET A 1 70.343 61.651 62.641 1.00 65.12 H new ATOM 0 HE3 MET A 1 69.958 60.208 63.169 1.00 65.12 H new ATOM 9 N AILE A 2 73.093 57.025 64.256 0.50 28.47 N ANISOU 9 N AILE A 2 4017 2933 3866 -552 593 57 N ATOM 10 N BILE A 2 73.085 57.039 64.249 0.50 28.47 N ANISOU 10 N BILE A 2 4017 2933 3866 -552 593 57 N ATOM 11 CA AILE A 2 72.405 55.746 64.357 0.50 25.18 C ANISOU 11 CA AILE A 2 3620 2525 3422 -292 449 -8 C ATOM 12 CA BILE A 2 72.384 55.774 64.364 0.50 25.18 C ANISOU 12 CA BILE A 2 3620 2525 3422 -292 449 -8 C ATOM 13 C AILE A 2 70.973 55.905 63.860 0.50 23.79 C ANISOU 13 C AILE A 2 3566 2425 3048 -79 339 13 C ATOM 14 C BILE A 2 70.967 55.934 63.834 0.50 23.79 C ANISOU 14 C BILE A 2 3566 2425 3048 -79 339 13 C ATOM 15 O AILE A 2 70.259 56.803 64.300 0.50 24.52 O ANISOU 15 O AILE A 2 3689 2567 3060 63 206 -98 O ATOM 16 O BILE A 2 70.253 56.850 64.234 0.50 24.52 O ANISOU 16 O BILE A 2 3689 2567 3060 63 206 -98 O ATOM 17 CB AILE A 2 72.395 55.212 65.816 0.50 25.51 C ANISOU 17 CB AILE A 2 3427 2803 3461 -358 435 10 C ATOM 18 CB BILE A 2 72.321 55.290 65.831 0.50 25.51 C ANISOU 18 CB BILE A 2 3427 2803 3461 -358 435 10 C ATOM 19 CG1AILE A 2 73.808 54.827 66.258 0.50 30.84 C ANISOU 19 CG1AILE A 2 3935 3948 3833 -435 352 -89 C ATOM 20 CG1BILE A 2 73.731 55.115 66.405 0.50 30.84 C ANISOU 20 CG1BILE A 2 3935 3948 3833 -435 352 -89 C ATOM 21 CG2AILE A 2 71.458 54.015 65.962 0.50 22.51 C ANISOU 21 CG2AILE A 2 2895 2411 3246 -264 509 101 C ATOM 22 CG2BILE A 2 71.508 53.996 65.944 0.50 22.51 C ANISOU 22 CG2BILE A 2 2895 2411 3246 -264 509 101 C ATOM 23 CD1AILE A 2 74.392 55.738 67.303 0.50 34.22 C ANISOU 23 CD1AILE A 2 4409 4505 4087 -178 316 -195 C ATOM 24 CD1BILE A 2 74.380 53.797 66.053 0.50 34.22 C ANISOU 24 CD1BILE A 2 4409 4505 4087 -178 316 -195 C ATOM 0 H AILE A 2 72.815 57.616 64.815 0.50 28.47 H new ATOM 0 H BILE A 2 72.808 57.639 64.799 0.50 28.47 H new ATOM 0 HA AILE A 2 72.882 55.102 63.810 0.50 25.18 H new ATOM 0 HA BILE A 2 72.870 55.114 63.846 0.50 25.18 H new ATOM 0 HB AILE A 2 72.069 55.925 66.387 0.50 25.51 H new ATOM 0 HB BILE A 2 71.869 55.968 66.357 0.50 25.51 H new ATOM 0 HG12AILE A 2 73.793 53.921 66.604 0.50 30.84 H new ATOM 0 HG12BILE A 2 74.293 55.837 66.083 0.50 30.84 H new ATOM 0 HG13AILE A 2 74.390 54.825 65.482 0.50 30.84 H new ATOM 0 HG13BILE A 2 73.689 55.196 67.371 0.50 30.84 H new ATOM 0 HG21AILE A 2 71.472 53.703 66.880 0.50 22.51 H new ATOM 0 HG21BILE A 2 71.481 53.710 66.871 0.50 22.51 H new ATOM 0 HG22AILE A 2 70.556 54.279 65.724 0.50 22.51 H new ATOM 0 HG22BILE A 2 70.604 54.153 65.628 0.50 22.51 H new ATOM 0 HG23AILE A 2 71.751 53.301 65.374 0.50 22.51 H new ATOM 0 HG23BILE A 2 71.923 53.305 65.405 0.50 22.51 H new ATOM 0 HD11AILE A 2 75.284 55.436 67.534 0.50 34.22 H new ATOM 0 HD11BILE A 2 75.265 53.756 66.448 0.50 34.22 H new ATOM 0 HD12AILE A 2 74.438 56.642 66.955 0.50 34.22 H new ATOM 0 HD12BILE A 2 73.840 53.068 66.396 0.50 34.22 H new ATOM 0 HD13AILE A 2 73.831 55.724 68.094 0.50 34.22 H new ATOM 0 HD13BILE A 2 74.453 53.719 65.089 0.50 34.22 H new ATOM 25 N ASP A 3 70.566 55.061 62.919 1.00 21.95 N ANISOU 25 N ASP A 3 3284 2156 2899 -24 369 166 N ATOM 26 CA ASP A 3 69.173 54.954 62.553 1.00 20.41 C ANISOU 26 CA ASP A 3 3258 1952 2543 -130 418 315 C ATOM 27 C ASP A 3 68.571 53.822 63.378 1.00 18.94 C ANISOU 27 C ASP A 3 2908 1905 2383 -6 382 294 C ATOM 28 O ASP A 3 69.107 52.703 63.395 1.00 18.69 O ANISOU 28 O ASP A 3 2739 1904 2459 -54 504 245 O ATOM 29 CB ASP A 3 69.007 54.634 61.066 1.00 21.31 C ANISOU 29 CB ASP A 3 3409 2128 2559 -133 453 341 C ATOM 30 CG ASP A 3 69.352 55.804 60.163 1.00 22.95 C ANISOU 30 CG ASP A 3 3795 2273 2653 -122 277 522 C ATOM 31 OD1 ASP A 3 69.379 56.944 60.673 1.00 24.70 O ANISOU 31 OD1 ASP A 3 4283 2298 2803 -243 0 568 O ATOM 32 OD2 ASP A 3 69.577 55.572 58.944 1.00 23.03 O ANISOU 32 OD2 ASP A 3 3677 2487 2585 -232 294 700 O ATOM 0 H AASP A 3 71.091 54.540 62.480 0.50 21.95 H new ATOM 0 H BASP A 3 71.090 54.523 62.501 0.50 21.95 H new ATOM 0 HA ASP A 3 68.729 55.799 62.724 1.00 20.41 H new ATOM 0 HB2 ASP A 3 69.572 53.879 60.838 1.00 21.31 H new ATOM 0 HB3 ASP A 3 68.091 54.363 60.899 1.00 21.31 H new ATOM 33 N LEU A 4 67.495 54.121 64.077 1.00 16.87 N ANISOU 33 N LEU A 4 2635 1569 2205 334 258 235 N ATOM 34 CA LEU A 4 66.780 53.138 64.862 1.00 16.12 C ANISOU 34 CA LEU A 4 2318 1695 2113 374 247 116 C ATOM 35 C LEU A 4 65.428 52.879 64.245 1.00 16.54 C ANISOU 35 C LEU A 4 2394 1843 2048 419 189 80 C ATOM 36 O LEU A 4 64.570 53.771 64.211 1.00 17.44 O ANISOU 36 O LEU A 4 2517 2012 2098 492 65 18 O ATOM 37 CB LEU A 4 66.612 53.609 66.315 1.00 15.86 C ANISOU 37 CB LEU A 4 2280 1639 2107 490 311 81 C ATOM 38 CG LEU A 4 65.707 52.727 67.192 1.00 16.65 C ANISOU 38 CG LEU A 4 2394 1783 2150 527 352 78 C ATOM 39 CD1 LEU A 4 66.194 51.271 67.231 1.00 15.77 C ANISOU 39 CD1 LEU A 4 2097 1786 2107 575 471 66 C ATOM 40 CD2 LEU A 4 65.623 53.297 68.608 1.00 18.47 C ANISOU 40 CD2 LEU A 4 2781 1970 2265 324 232 111 C ATOM 0 H LEU A 4 67.154 54.910 64.110 1.00 16.87 H new ATOM 0 HA LEU A 4 67.296 52.317 64.868 1.00 16.12 H new ATOM 0 HB2 LEU A 4 67.489 53.657 66.727 1.00 15.86 H new ATOM 0 HB3 LEU A 4 66.252 54.510 66.308 1.00 15.86 H new ATOM 0 HG LEU A 4 64.822 52.729 66.795 1.00 16.65 H new ATOM 0 HD11 LEU A 4 65.601 50.746 67.791 1.00 15.77 H new ATOM 0 HD12 LEU A 4 66.196 50.906 66.332 1.00 15.77 H new ATOM 0 HD13 LEU A 4 67.093 51.240 67.594 1.00 15.77 H new ATOM 0 HD21 LEU A 4 65.050 52.733 69.151 1.00 18.47 H new ATOM 0 HD22 LEU A 4 66.511 53.327 68.998 1.00 18.47 H new ATOM 0 HD23 LEU A 4 65.255 54.194 68.575 1.00 18.47 H new ATOM 41 N TYR A 5 65.262 51.664 63.736 1.00 14.56 N ANISOU 41 N TYR A 5 2012 1594 1926 402 222 169 N ATOM 42 CA TYR A 5 64.007 51.158 63.199 1.00 14.35 C ANISOU 42 CA TYR A 5 1927 1691 1834 456 161 209 C ATOM 43 C TYR A 5 63.171 50.641 64.366 1.00 15.04 C ANISOU 43 C TYR A 5 1992 1865 1859 468 173 180 C ATOM 44 O TYR A 5 63.588 49.738 65.060 1.00 14.18 O ANISOU 44 O TYR A 5 1921 1687 1780 504 247 140 O ATOM 45 CB TYR A 5 64.274 50.060 62.150 1.00 14.10 C ANISOU 45 CB TYR A 5 1898 1690 1770 440 103 217 C ATOM 46 CG TYR A 5 64.903 50.672 60.910 1.00 14.81 C ANISOU 46 CG TYR A 5 2110 1763 1756 293 191 265 C ATOM 47 CD1 TYR A 5 66.262 50.904 60.854 1.00 15.55 C ANISOU 47 CD1 TYR A 5 2235 1888 1787 108 326 264 C ATOM 48 CD2 TYR A 5 64.127 51.088 59.831 1.00 16.09 C ANISOU 48 CD2 TYR A 5 2522 1838 1754 310 107 398 C ATOM 49 CE1 TYR A 5 66.850 51.502 59.747 1.00 15.70 C ANISOU 49 CE1 TYR A 5 2513 1652 1799 107 251 395 C ATOM 50 CE2 TYR A 5 64.716 51.688 58.722 1.00 16.90 C ANISOU 50 CE2 TYR A 5 2659 1994 1769 172 43 463 C ATOM 51 CZ TYR A 5 66.072 51.876 58.680 1.00 16.88 C ANISOU 51 CZ TYR A 5 2733 1898 1784 108 169 442 C ATOM 52 OH TYR A 5 66.672 52.481 57.579 1.00 17.99 O ANISOU 52 OH TYR A 5 3063 1972 1799 122 289 391 O ATOM 0 H TYR A 5 65.902 51.091 63.693 1.00 14.56 H new ATOM 0 HA TYR A 5 63.519 51.863 62.745 1.00 14.35 H new ATOM 0 HB2 TYR A 5 64.862 49.384 62.521 1.00 14.10 H new ATOM 0 HB3 TYR A 5 63.444 49.616 61.916 1.00 14.10 H new ATOM 0 HD1 TYR A 5 66.796 50.654 61.573 1.00 15.55 H new ATOM 0 HD2 TYR A 5 63.206 50.964 59.852 1.00 16.09 H new ATOM 0 HE1 TYR A 5 67.768 51.649 59.729 1.00 15.70 H new ATOM 0 HE2 TYR A 5 64.187 51.962 58.008 1.00 16.90 H new ATOM 0 HH TYR A 5 66.087 52.656 57.002 1.00 17.99 H new ATOM 53 N PHE A 6 61.996 51.242 64.552 1.00 16.00 N ANISOU 53 N PHE A 6 2040 2017 2021 622 118 172 N ATOM 54 CA PHE A 6 61.328 51.293 65.848 1.00 17.30 C ANISOU 54 CA PHE A 6 2131 2233 2208 831 98 160 C ATOM 55 C PHE A 6 59.820 51.125 65.750 1.00 19.47 C ANISOU 55 C PHE A 6 2179 2885 2332 670 18 168 C ATOM 56 O PHE A 6 59.176 51.571 64.778 1.00 20.25 O ANISOU 56 O PHE A 6 2308 2936 2450 989 -4 76 O ATOM 57 CB PHE A 6 61.649 52.657 66.479 1.00 18.02 C ANISOU 57 CB PHE A 6 2275 2312 2260 746 95 56 C ATOM 58 CG PHE A 6 60.942 52.949 67.775 1.00 17.13 C ANISOU 58 CG PHE A 6 2031 2206 2273 927 78 -64 C ATOM 59 CD1 PHE A 6 61.513 52.594 68.993 1.00 17.30 C ANISOU 59 CD1 PHE A 6 2122 2163 2289 866 156 -101 C ATOM 60 CD2 PHE A 6 59.737 53.638 67.792 1.00 17.07 C ANISOU 60 CD2 PHE A 6 2008 2200 2279 1038 74 -75 C ATOM 61 CE1 PHE A 6 60.882 52.887 70.185 1.00 17.23 C ANISOU 61 CE1 PHE A 6 1922 2314 2311 911 225 -66 C ATOM 62 CE2 PHE A 6 59.076 53.913 68.989 1.00 16.91 C ANISOU 62 CE2 PHE A 6 1918 2233 2274 1155 123 -51 C ATOM 63 CZ PHE A 6 59.656 53.566 70.187 1.00 17.08 C ANISOU 63 CZ PHE A 6 1953 2230 2308 976 173 -63 C ATOM 0 H PHE A 6 61.562 51.635 63.922 1.00 16.00 H new ATOM 0 HA PHE A 6 61.651 50.555 66.387 1.00 17.30 H new ATOM 0 HB2 PHE A 6 62.606 52.709 66.631 1.00 18.02 H new ATOM 0 HB3 PHE A 6 61.424 53.353 65.841 1.00 18.02 H new ATOM 0 HD1 PHE A 6 62.332 52.153 69.004 1.00 17.30 H new ATOM 0 HD2 PHE A 6 59.363 53.922 66.989 1.00 17.07 H new ATOM 0 HE1 PHE A 6 61.272 52.633 70.990 1.00 17.23 H new ATOM 0 HE2 PHE A 6 58.245 54.330 68.977 1.00 16.91 H new ATOM 0 HZ PHE A 6 59.239 53.780 70.990 1.00 17.08 H new ATOM 64 N ALA A 7 59.251 50.508 66.784 1.00 17.83 N ANISOU 64 N ALA A 7 1883 2559 2334 718 -23 167 N ATOM 65 CA ALA A 7 57.838 50.602 67.067 1.00 18.19 C ANISOU 65 CA ALA A 7 1861 2677 2372 712 46 57 C ATOM 66 C ALA A 7 57.723 50.756 68.581 1.00 18.29 C ANISOU 66 C ALA A 7 1756 2759 2435 820 192 47 C ATOM 67 O ALA A 7 58.602 50.299 69.297 1.00 18.52 O ANISOU 67 O ALA A 7 2045 2641 2350 761 109 68 O ATOM 68 CB ALA A 7 57.091 49.378 66.596 1.00 19.07 C ANISOU 68 CB ALA A 7 1975 2866 2404 645 -41 -42 C ATOM 0 H ALA A 7 59.687 50.020 67.342 1.00 17.83 H new ATOM 0 HA ALA A 7 57.442 51.353 66.598 1.00 18.19 H new ATOM 0 HB1 ALA A 7 56.148 49.475 66.802 1.00 19.07 H new ATOM 0 HB2 ALA A 7 57.204 49.279 65.638 1.00 19.07 H new ATOM 0 HB3 ALA A 7 57.440 48.593 67.046 1.00 19.07 H new ATOM 69 N PRO A 8 56.675 51.443 69.058 1.00 19.25 N ANISOU 69 N PRO A 8 1815 2865 2634 1056 248 -66 N ATOM 70 CA PRO A 8 56.538 51.685 70.506 1.00 20.21 C ANISOU 70 CA PRO A 8 1930 2984 2765 1159 301 -169 C ATOM 71 C PRO A 8 56.097 50.417 71.249 1.00 20.39 C ANISOU 71 C PRO A 8 1721 3279 2747 924 357 -167 C ATOM 72 O PRO A 8 54.940 50.175 71.445 1.00 21.81 O ANISOU 72 O PRO A 8 1796 3578 2914 705 449 -58 O ATOM 73 CB PRO A 8 55.483 52.800 70.578 1.00 21.07 C ANISOU 73 CB PRO A 8 1922 3201 2884 1327 166 -197 C ATOM 74 CG PRO A 8 54.701 52.655 69.325 1.00 22.88 C ANISOU 74 CG PRO A 8 2216 3544 2934 1392 81 -224 C ATOM 75 CD PRO A 8 55.655 52.154 68.278 1.00 21.42 C ANISOU 75 CD PRO A 8 1901 3409 2829 1030 93 -139 C ATOM 0 HA PRO A 8 57.372 51.936 70.933 1.00 20.21 H new ATOM 0 HB2 PRO A 8 54.918 52.701 71.360 1.00 21.07 H new ATOM 0 HB3 PRO A 8 55.898 53.675 70.636 1.00 21.07 H new ATOM 0 HG2 PRO A 8 53.966 52.034 69.447 1.00 22.88 H new ATOM 0 HG3 PRO A 8 54.314 53.504 69.060 1.00 22.88 H new ATOM 0 HD2 PRO A 8 55.214 51.565 67.645 1.00 21.42 H new ATOM 0 HD3 PRO A 8 56.040 52.883 67.767 1.00 21.42 H new ATOM 76 N THR A 9 57.082 49.607 71.581 1.00 19.24 N ANISOU 76 N THR A 9 1759 3025 2528 765 283 -117 N ATOM 77 CA THR A 9 56.920 48.293 72.166 1.00 19.78 C ANISOU 77 CA THR A 9 1801 3295 2419 419 335 -58 C ATOM 78 C THR A 9 58.036 48.094 73.196 1.00 17.30 C ANISOU 78 C THR A 9 1379 2898 2297 517 466 -16 C ATOM 79 O THR A 9 59.002 48.849 73.213 1.00 16.77 O ANISOU 79 O THR A 9 1382 2773 2217 545 488 54 O ATOM 80 CB THR A 9 57.054 47.184 71.126 1.00 20.74 C ANISOU 80 CB THR A 9 1774 3543 2564 461 278 -1 C ATOM 81 OG1 THR A 9 58.402 47.207 70.626 1.00 19.07 O ANISOU 81 OG1 THR A 9 1714 3074 2457 344 349 -61 O ATOM 82 CG2 THR A 9 56.076 47.389 69.975 1.00 22.98 C ANISOU 82 CG2 THR A 9 2192 3732 2807 276 143 136 C ATOM 0 H THR A 9 57.907 49.819 71.465 1.00 19.24 H new ATOM 0 HA THR A 9 56.035 48.244 72.560 1.00 19.78 H new ATOM 0 HB THR A 9 56.851 46.329 71.537 1.00 20.74 H new ATOM 0 HG1 THR A 9 58.627 46.432 70.392 1.00 19.07 H new ATOM 0 HG21 THR A 9 56.181 46.673 69.329 1.00 22.98 H new ATOM 0 HG22 THR A 9 55.168 47.385 70.317 1.00 22.98 H new ATOM 0 HG23 THR A 9 56.255 48.240 69.545 1.00 22.98 H new ATOM 83 N PRO A 10 57.901 47.082 74.067 1.00 16.96 N ANISOU 83 N PRO A 10 1288 2916 2239 477 516 68 N ATOM 84 CA PRO A 10 58.976 46.887 75.053 1.00 17.22 C ANISOU 84 CA PRO A 10 1486 2888 2168 391 501 106 C ATOM 85 C PRO A 10 60.352 46.716 74.418 1.00 17.00 C ANISOU 85 C PRO A 10 1651 2709 2098 492 359 94 C ATOM 86 O PRO A 10 61.342 47.294 74.892 1.00 17.77 O ANISOU 86 O PRO A 10 1946 2719 2088 438 242 122 O ATOM 87 CB PRO A 10 58.531 45.625 75.792 1.00 18.25 C ANISOU 87 CB PRO A 10 1592 3161 2180 280 548 156 C ATOM 88 CG PRO A 10 57.043 45.647 75.697 1.00 19.74 C ANISOU 88 CG PRO A 10 1704 3573 2225 585 480 171 C ATOM 89 CD PRO A 10 56.735 46.215 74.331 1.00 18.01 C ANISOU 89 CD PRO A 10 1409 3190 2245 395 518 183 C ATOM 0 HA PRO A 10 59.090 47.658 75.630 1.00 17.22 H new ATOM 0 HB2 PRO A 10 58.900 44.827 75.383 1.00 18.25 H new ATOM 0 HB3 PRO A 10 58.827 45.633 76.716 1.00 18.25 H new ATOM 0 HG2 PRO A 10 56.673 44.756 75.796 1.00 19.74 H new ATOM 0 HG3 PRO A 10 56.656 46.194 76.398 1.00 19.74 H new ATOM 0 HD2 PRO A 10 56.646 45.518 73.663 1.00 18.01 H new ATOM 0 HD3 PRO A 10 55.905 46.717 74.329 1.00 18.01 H new ATOM 90 N ASN A 11 60.436 46.002 73.295 1.00 16.29 N ANISOU 90 N ASN A 11 1647 2476 2066 384 328 47 N ATOM 91 CA ASN A 11 61.748 45.813 72.682 1.00 15.80 C ANISOU 91 CA ASN A 11 1691 2292 2020 382 319 92 C ATOM 92 C ASN A 11 62.287 47.069 71.980 1.00 15.56 C ANISOU 92 C ASN A 11 1598 2273 2042 420 314 95 C ATOM 93 O ASN A 11 63.490 47.329 71.992 1.00 14.53 O ANISOU 93 O ASN A 11 1502 1983 2036 476 324 140 O ATOM 94 CB ASN A 11 61.688 44.619 71.706 1.00 15.40 C ANISOU 94 CB ASN A 11 1668 2227 1956 320 351 128 C ATOM 95 CG ASN A 11 61.443 43.312 72.440 1.00 15.34 C ANISOU 95 CG ASN A 11 1639 2261 1928 90 343 169 C ATOM 96 OD1 ASN A 11 62.049 43.083 73.485 1.00 16.04 O ANISOU 96 OD1 ASN A 11 1765 2302 2029 102 329 198 O ATOM 97 ND2 ASN A 11 60.550 42.463 71.923 1.00 14.80 N ANISOU 97 ND2 ASN A 11 1529 2228 1868 39 300 220 N ATOM 0 H ASN A 11 59.775 45.633 72.887 1.00 16.29 H new ATOM 0 HA ASN A 11 62.375 45.628 73.398 1.00 15.80 H new ATOM 0 HB2 ASN A 11 60.981 44.765 71.058 1.00 15.40 H new ATOM 0 HB3 ASN A 11 62.520 44.562 71.211 1.00 15.40 H new ATOM 0 HD21 ASN A 11 60.379 41.721 72.324 1.00 14.80 H new ATOM 0 HD22 ASN A 11 60.146 42.658 71.189 1.00 14.80 H new ATOM 98 N GLY A 12 61.378 47.882 71.415 1.00 16.12 N ANISOU 98 N GLY A 12 1738 2319 2069 458 298 42 N ATOM 99 CA GLY A 12 61.781 49.173 70.864 1.00 16.60 C ANISOU 99 CA GLY A 12 1934 2278 2095 533 318 48 C ATOM 100 C GLY A 12 62.337 50.122 71.920 1.00 16.37 C ANISOU 100 C GLY A 12 1744 2391 2084 618 350 62 C ATOM 101 O GLY A 12 63.385 50.761 71.708 1.00 16.21 O ANISOU 101 O GLY A 12 1886 2167 2107 681 269 96 O ATOM 0 H GLY A 12 60.540 47.703 71.345 1.00 16.12 H new ATOM 0 HA2 GLY A 12 62.452 49.031 70.178 1.00 16.60 H new ATOM 0 HA3 GLY A 12 61.018 49.588 70.433 1.00 16.60 H new ATOM 102 N HIS A 13 61.636 50.209 73.063 1.00 15.94 N ANISOU 102 N HIS A 13 1683 2305 2070 640 435 22 N ATOM 103 CA HIS A 13 62.039 51.100 74.138 1.00 16.07 C ANISOU 103 CA HIS A 13 1664 2377 2065 575 453 -95 C ATOM 104 C HIS A 13 63.400 50.750 74.741 1.00 14.89 C ANISOU 104 C HIS A 13 1726 2025 1906 665 400 -47 C ATOM 105 O HIS A 13 64.090 51.620 75.297 1.00 15.46 O ANISOU 105 O HIS A 13 1896 2015 1962 743 267 -155 O ATOM 106 CB HIS A 13 61.002 51.102 75.265 1.00 17.74 C ANISOU 106 CB HIS A 13 1680 2722 2339 804 441 -286 C ATOM 107 CG HIS A 13 59.690 51.705 74.901 1.00 19.98 C ANISOU 107 CG HIS A 13 2014 2820 2757 930 434 -234 C ATOM 108 ND1 HIS A 13 59.580 52.937 74.309 1.00 21.29 N ANISOU 108 ND1 HIS A 13 2194 3068 2827 860 491 -79 N ATOM 109 CD2 HIS A 13 58.421 51.263 75.094 1.00 22.54 C ANISOU 109 CD2 HIS A 13 2119 3308 3137 872 357 -201 C ATOM 110 CE1 HIS A 13 58.304 53.223 74.122 1.00 23.75 C ANISOU 110 CE1 HIS A 13 2263 3689 3071 864 362 -33 C ATOM 111 NE2 HIS A 13 57.580 52.219 74.581 1.00 24.04 N ANISOU 111 NE2 HIS A 13 2197 3678 3260 921 308 -113 N ATOM 0 H HIS A 13 60.924 49.755 73.226 1.00 15.94 H new ATOM 0 HA HIS A 13 62.106 51.978 73.730 1.00 16.07 H new ATOM 0 HB2 HIS A 13 60.855 50.188 75.555 1.00 17.74 H new ATOM 0 HB3 HIS A 13 61.367 51.585 76.023 1.00 17.74 H new ATOM 0 HD1 HIS A 13 60.240 53.445 74.093 1.00 21.29 H new ATOM 0 HD2 HIS A 13 58.169 50.464 75.497 1.00 22.54 H new ATOM 0 HE1 HIS A 13 57.972 54.000 73.733 1.00 23.75 H new ATOM 112 N LYS A 14 63.821 49.505 74.621 1.00 13.43 N ANISOU 112 N LYS A 14 1485 1847 1770 375 464 60 N ATOM 113 CA LYS A 14 65.136 49.152 75.117 1.00 12.97 C ANISOU 113 CA LYS A 14 1406 1807 1716 432 470 53 C ATOM 114 C LYS A 14 66.198 50.050 74.492 1.00 13.45 C ANISOU 114 C LYS A 14 1604 1728 1777 377 340 22 C ATOM 115 O LYS A 14 67.140 50.485 75.144 1.00 14.20 O ANISOU 115 O LYS A 14 1847 1737 1813 450 259 -104 O ATOM 116 CB LYS A 14 65.497 47.698 74.782 1.00 13.36 C ANISOU 116 CB LYS A 14 1514 1891 1673 269 497 -16 C ATOM 117 CG LYS A 14 64.703 46.631 75.490 1.00 13.51 C ANISOU 117 CG LYS A 14 1556 1909 1670 313 381 35 C ATOM 118 CD LYS A 14 65.137 45.269 75.015 1.00 13.22 C ANISOU 118 CD LYS A 14 1476 1882 1664 185 396 51 C ATOM 119 CE LYS A 14 64.204 44.159 75.493 1.00 12.45 C ANISOU 119 CE LYS A 14 1396 1763 1573 251 426 100 C ATOM 120 NZ LYS A 14 64.642 42.827 74.886 1.00 12.02 N ANISOU 120 NZ LYS A 14 1256 1798 1514 278 356 72 N ATOM 0 H LYS A 14 63.374 48.863 74.265 1.00 13.43 H new ATOM 0 HA LYS A 14 65.112 49.266 76.080 1.00 12.97 H new ATOM 0 HB2 LYS A 14 65.392 47.571 73.826 1.00 13.36 H new ATOM 0 HB3 LYS A 14 66.436 47.563 74.985 1.00 13.36 H new ATOM 0 HG2 LYS A 14 64.831 46.704 76.449 1.00 13.51 H new ATOM 0 HG3 LYS A 14 63.756 46.755 75.320 1.00 13.51 H new ATOM 0 HD2 LYS A 14 65.171 45.264 74.046 1.00 13.22 H new ATOM 0 HD3 LYS A 14 66.036 45.091 75.332 1.00 13.22 H new ATOM 0 HE2 LYS A 14 64.220 44.105 76.461 1.00 12.45 H new ATOM 0 HE3 LYS A 14 63.290 44.358 75.235 1.00 12.45 H new ATOM 0 HZ1 LYS A 14 63.924 42.365 74.635 1.00 12.02 H new ATOM 0 HZ2 LYS A 14 65.159 42.979 74.178 1.00 12.02 H new ATOM 0 HZ3 LYS A 14 65.098 42.360 75.491 1.00 12.02 H new ATOM 121 N ILE A 15 66.073 50.255 73.180 1.00 13.79 N ANISOU 121 N ILE A 15 1522 1912 1807 348 325 23 N ATOM 122 CA ILE A 15 67.117 50.924 72.450 1.00 14.36 C ANISOU 122 CA ILE A 15 1660 1931 1867 418 323 -3 C ATOM 123 C ILE A 15 67.052 52.415 72.612 1.00 15.35 C ANISOU 123 C ILE A 15 1944 1947 1940 435 368 -80 C ATOM 124 O ILE A 15 68.073 53.052 72.724 1.00 14.68 O ANISOU 124 O ILE A 15 1836 1837 1906 454 377 -74 O ATOM 125 CB ILE A 15 67.162 50.487 70.970 1.00 13.53 C ANISOU 125 CB ILE A 15 1595 1734 1810 330 273 17 C ATOM 126 CG1 ILE A 15 67.093 48.949 70.864 1.00 13.68 C ANISOU 126 CG1 ILE A 15 1664 1747 1785 365 287 -29 C ATOM 127 CG2 ILE A 15 68.424 50.989 70.307 1.00 13.20 C ANISOU 127 CG2 ILE A 15 1662 1538 1816 254 279 35 C ATOM 128 CD1 ILE A 15 68.082 48.185 71.744 1.00 12.89 C ANISOU 128 CD1 ILE A 15 1489 1636 1772 437 420 -63 C ATOM 0 H ILE A 15 65.395 50.013 72.709 1.00 13.79 H new ATOM 0 HA ILE A 15 67.960 50.645 72.841 1.00 14.36 H new ATOM 0 HB ILE A 15 66.396 50.871 70.516 1.00 13.53 H new ATOM 0 HG12 ILE A 15 66.194 48.664 71.092 1.00 13.68 H new ATOM 0 HG13 ILE A 15 67.244 48.697 69.940 1.00 13.68 H new ATOM 0 HG21 ILE A 15 68.437 50.706 69.379 1.00 13.20 H new ATOM 0 HG22 ILE A 15 68.449 51.958 70.350 1.00 13.20 H new ATOM 0 HG23 ILE A 15 69.197 50.626 70.766 1.00 13.20 H new ATOM 0 HD11 ILE A 15 67.965 47.231 71.610 1.00 12.89 H new ATOM 0 HD12 ILE A 15 68.988 48.435 71.505 1.00 12.89 H new ATOM 0 HD13 ILE A 15 67.922 48.403 72.676 1.00 12.89 H new ATOM 129 N THR A 16 65.840 52.994 72.631 1.00 16.84 N ANISOU 129 N THR A 16 2208 2106 2084 564 362 -131 N ATOM 130 CA THR A 16 65.727 54.410 72.905 1.00 17.50 C ANISOU 130 CA THR A 16 2402 2029 2218 554 269 -72 C ATOM 131 C THR A 16 66.271 54.719 74.300 1.00 17.33 C ANISOU 131 C THR A 16 2462 1937 2187 633 294 -95 C ATOM 132 O THR A 16 66.938 55.747 74.518 1.00 17.56 O ANISOU 132 O THR A 16 2616 1838 2219 692 347 -166 O ATOM 133 CB THR A 16 64.285 54.915 72.806 1.00 18.25 C ANISOU 133 CB THR A 16 2435 2104 2395 760 222 -83 C ATOM 134 OG1 THR A 16 63.427 54.070 73.577 1.00 20.17 O ANISOU 134 OG1 THR A 16 2562 2598 2503 666 200 11 O ATOM 135 CG2 THR A 16 63.825 54.932 71.344 1.00 18.59 C ANISOU 135 CG2 THR A 16 2408 2315 2340 844 275 -238 C ATOM 0 H THR A 16 65.096 52.586 72.490 1.00 16.84 H new ATOM 0 HA THR A 16 66.249 54.869 72.228 1.00 17.50 H new ATOM 0 HB THR A 16 64.244 55.819 73.154 1.00 18.25 H new ATOM 0 HG1 THR A 16 62.625 54.244 73.396 1.00 20.17 H new ATOM 0 HG21 THR A 16 62.911 55.253 71.296 1.00 18.59 H new ATOM 0 HG22 THR A 16 64.401 55.519 70.830 1.00 18.59 H new ATOM 0 HG23 THR A 16 63.871 54.034 70.980 1.00 18.59 H new ATOM 136 N LEU A 17 65.989 53.835 75.252 1.00 16.86 N ANISOU 136 N LEU A 17 2264 1950 2191 528 317 -139 N ATOM 137 CA LEU A 17 66.549 54.005 76.601 1.00 17.68 C ANISOU 137 CA LEU A 17 2419 1999 2299 559 299 -146 C ATOM 138 C LEU A 17 68.065 54.111 76.549 1.00 16.60 C ANISOU 138 C LEU A 17 2354 1862 2093 541 226 -113 C ATOM 139 O LEU A 17 68.655 55.055 77.093 1.00 16.12 O ANISOU 139 O LEU A 17 2275 1850 2001 564 196 -89 O ATOM 140 CB LEU A 17 66.144 52.864 77.531 1.00 20.05 C ANISOU 140 CB LEU A 17 2709 2187 2721 691 339 -84 C ATOM 141 CG LEU A 17 65.104 53.193 78.575 1.00 26.47 C ANISOU 141 CG LEU A 17 3270 3536 3251 800 363 -11 C ATOM 142 CD1 LEU A 17 63.735 53.366 77.937 1.00 29.00 C ANISOU 142 CD1 LEU A 17 3493 4001 3526 665 157 61 C ATOM 143 CD2 LEU A 17 65.062 52.089 79.630 1.00 27.54 C ANISOU 143 CD2 LEU A 17 3808 3294 3363 1146 520 -74 C ATOM 0 H LEU A 17 65.488 53.144 75.148 1.00 16.86 H new ATOM 0 HA LEU A 17 66.184 54.830 76.957 1.00 17.68 H new ATOM 0 HB2 LEU A 17 65.811 52.132 76.989 1.00 20.05 H new ATOM 0 HB3 LEU A 17 66.939 52.542 77.984 1.00 20.05 H new ATOM 0 HG LEU A 17 65.346 54.030 79.001 1.00 26.47 H new ATOM 0 HD11 LEU A 17 63.082 53.576 78.623 1.00 29.00 H new ATOM 0 HD12 LEU A 17 63.768 54.088 77.290 1.00 29.00 H new ATOM 0 HD13 LEU A 17 63.480 52.544 77.490 1.00 29.00 H new ATOM 0 HD21 LEU A 17 64.393 52.305 80.298 1.00 27.54 H new ATOM 0 HD22 LEU A 17 64.836 51.246 79.207 1.00 27.54 H new ATOM 0 HD23 LEU A 17 65.931 52.014 80.055 1.00 27.54 H new ATOM 144 N PHE A 18 68.701 53.152 75.858 1.00 16.13 N ANISOU 144 N PHE A 18 2227 1845 2055 444 212 -84 N ATOM 145 CA PHE A 18 70.131 53.169 75.778 1.00 15.29 C ANISOU 145 CA PHE A 18 2037 1729 2043 289 238 -97 C ATOM 146 C PHE A 18 70.659 54.445 75.116 1.00 15.41 C ANISOU 146 C PHE A 18 2120 1743 1992 175 289 -74 C ATOM 147 O PHE A 18 71.585 55.123 75.640 1.00 15.05 O ANISOU 147 O PHE A 18 2101 1726 1891 16 309 -110 O ATOM 148 CB PHE A 18 70.679 51.936 75.038 1.00 15.43 C ANISOU 148 CB PHE A 18 1978 1832 2053 132 211 -118 C ATOM 149 CG PHE A 18 72.175 51.896 74.990 1.00 16.02 C ANISOU 149 CG PHE A 18 1952 2035 2101 148 251 -28 C ATOM 150 CD1 PHE A 18 72.877 52.697 74.092 1.00 17.24 C ANISOU 150 CD1 PHE A 18 2046 2279 2227 136 259 -2 C ATOM 151 CD2 PHE A 18 72.895 51.141 75.899 1.00 16.37 C ANISOU 151 CD2 PHE A 18 1934 2151 2136 155 248 60 C ATOM 152 CE1 PHE A 18 74.251 52.702 74.081 1.00 17.13 C ANISOU 152 CE1 PHE A 18 2074 2120 2313 -166 171 0 C ATOM 153 CE2 PHE A 18 74.267 51.154 75.903 1.00 16.90 C ANISOU 153 CE2 PHE A 18 1897 2280 2245 146 178 127 C ATOM 154 CZ PHE A 18 74.959 51.921 74.977 1.00 17.53 C ANISOU 154 CZ PHE A 18 2119 2227 2313 -58 121 79 C ATOM 0 H PHE A 18 68.316 52.504 75.443 1.00 16.13 H new ATOM 0 HA PHE A 18 70.449 53.147 76.694 1.00 15.29 H new ATOM 0 HB2 PHE A 18 70.353 51.133 75.474 1.00 15.43 H new ATOM 0 HB3 PHE A 18 70.331 51.928 74.132 1.00 15.43 H new ATOM 0 HD1 PHE A 18 72.410 53.234 73.493 1.00 17.24 H new ATOM 0 HD2 PHE A 18 72.441 50.616 76.518 1.00 16.37 H new ATOM 0 HE1 PHE A 18 74.707 53.233 73.468 1.00 17.13 H new ATOM 0 HE2 PHE A 18 74.734 50.648 76.528 1.00 16.90 H new ATOM 0 HZ PHE A 18 75.889 51.910 74.959 1.00 17.53 H new ATOM 155 N LEU A 19 70.066 54.778 73.967 1.00 15.84 N ANISOU 155 N LEU A 19 2153 1764 2100 258 294 -31 N ATOM 156 CA LEU A 19 70.549 55.921 73.202 1.00 16.97 C ANISOU 156 CA LEU A 19 2379 1786 2282 233 273 -47 C ATOM 157 C LEU A 19 70.413 57.233 73.975 1.00 18.28 C ANISOU 157 C LEU A 19 2806 1796 2345 145 242 -30 C ATOM 158 O LEU A 19 71.315 58.113 73.939 1.00 18.88 O ANISOU 158 O LEU A 19 2890 1931 2354 35 189 18 O ATOM 159 CB LEU A 19 69.824 56.004 71.868 1.00 18.28 C ANISOU 159 CB LEU A 19 2569 1976 2402 195 220 -117 C ATOM 160 CG LEU A 19 70.126 54.827 70.917 1.00 20.12 C ANISOU 160 CG LEU A 19 2870 2235 2539 118 151 -185 C ATOM 161 CD1 LEU A 19 69.100 54.799 69.799 1.00 21.98 C ANISOU 161 CD1 LEU A 19 3237 2496 2619 -254 37 -306 C ATOM 162 CD2 LEU A 19 71.521 54.907 70.353 1.00 21.44 C ANISOU 162 CD2 LEU A 19 2809 2720 2616 14 207 -123 C ATOM 0 H LEU A 19 69.397 54.363 73.622 1.00 15.84 H new ATOM 0 HA LEU A 19 71.496 55.785 73.040 1.00 16.97 H new ATOM 0 HB2 LEU A 19 68.868 56.039 72.031 1.00 18.28 H new ATOM 0 HB3 LEU A 19 70.068 56.834 71.429 1.00 18.28 H new ATOM 0 HG LEU A 19 70.070 54.004 71.427 1.00 20.12 H new ATOM 0 HD11 LEU A 19 69.291 54.059 69.202 1.00 21.98 H new ATOM 0 HD12 LEU A 19 68.213 54.689 70.176 1.00 21.98 H new ATOM 0 HD13 LEU A 19 69.139 55.632 69.303 1.00 21.98 H new ATOM 0 HD21 LEU A 19 71.675 54.154 69.762 1.00 21.44 H new ATOM 0 HD22 LEU A 19 71.622 55.734 69.856 1.00 21.44 H new ATOM 0 HD23 LEU A 19 72.165 54.885 71.078 1.00 21.44 H new ATOM 163 N GLU A 20 69.318 57.374 74.704 1.00 18.00 N ANISOU 163 N GLU A 20 2737 1715 2386 351 225 -135 N ATOM 164 CA GLU A 20 69.130 58.556 75.528 1.00 19.80 C ANISOU 164 CA GLU A 20 3090 1979 2455 202 194 -347 C ATOM 165 C GLU A 20 70.105 58.550 76.692 1.00 19.55 C ANISOU 165 C GLU A 20 3200 1869 2358 282 218 -380 C ATOM 166 O GLU A 20 70.700 59.582 76.995 1.00 18.98 O ANISOU 166 O GLU A 20 3167 1714 2332 173 92 -340 O ATOM 167 CB GLU A 20 67.695 58.666 76.027 1.00 21.40 C ANISOU 167 CB GLU A 20 3289 2210 2633 516 81 -406 C ATOM 168 CG GLU A 20 66.677 58.922 74.930 1.00 22.75 C ANISOU 168 CG GLU A 20 3618 2290 2737 437 -43 -274 C ATOM 169 CD GLU A 20 66.804 60.275 74.256 1.00 23.65 C ANISOU 169 CD GLU A 20 4001 2208 2776 499 -6 -269 C ATOM 170 OE1 GLU A 20 67.313 61.260 74.864 1.00 22.90 O ANISOU 170 OE1 GLU A 20 3792 2089 2820 560 42 -308 O ATOM 171 OE2 GLU A 20 66.332 60.378 73.115 1.00 24.26 O ANISOU 171 OE2 GLU A 20 4131 2325 2763 617 37 -248 O ATOM 0 H GLU A 20 68.676 56.802 74.736 1.00 18.00 H new ATOM 0 HA GLU A 20 69.308 59.334 74.977 1.00 19.80 H new ATOM 0 HB2 GLU A 20 67.459 57.846 76.489 1.00 21.40 H new ATOM 0 HB3 GLU A 20 67.643 59.384 76.678 1.00 21.40 H new ATOM 0 HG2 GLU A 20 66.763 58.229 74.257 1.00 22.75 H new ATOM 0 HG3 GLU A 20 65.786 58.843 75.306 1.00 22.75 H new ATOM 172 N GLU A 21 70.317 57.397 77.312 1.00 19.15 N ANISOU 172 N GLU A 21 2940 1978 2358 295 288 -406 N ATOM 173 CA GLU A 21 71.270 57.326 78.437 1.00 19.43 C ANISOU 173 CA GLU A 21 2884 2122 2378 73 152 -440 C ATOM 174 C GLU A 21 72.704 57.620 77.988 1.00 20.78 C ANISOU 174 C GLU A 21 3038 2322 2537 -99 60 -490 C ATOM 175 O GLU A 21 73.466 58.281 78.699 1.00 21.71 O ANISOU 175 O GLU A 21 3195 2456 2599 -195 -23 -564 O ATOM 176 CB GLU A 21 71.232 55.962 79.095 1.00 18.98 C ANISOU 176 CB GLU A 21 2760 2145 2307 87 46 -382 C ATOM 177 CG GLU A 21 69.988 55.710 79.920 1.00 18.57 C ANISOU 177 CG GLU A 21 2571 2175 2310 304 7 -394 C ATOM 178 CD GLU A 21 70.021 56.346 81.314 1.00 22.05 C ANISOU 178 CD GLU A 21 3200 2786 2393 371 36 -452 C ATOM 179 OE1 GLU A 21 71.042 56.942 81.715 1.00 22.80 O ANISOU 179 OE1 GLU A 21 3611 2700 2351 -2 90 -546 O ATOM 180 OE2 GLU A 21 69.012 56.243 82.028 1.00 24.28 O ANISOU 180 OE2 GLU A 21 3472 3250 2504 582 44 -375 O ATOM 0 H GLU A 21 69.934 56.654 77.110 1.00 19.15 H new ATOM 0 HA GLU A 21 70.997 58.004 79.075 1.00 19.43 H new ATOM 0 HB2 GLU A 21 71.297 55.280 78.408 1.00 18.98 H new ATOM 0 HB3 GLU A 21 72.011 55.866 79.665 1.00 18.98 H new ATOM 0 HG2 GLU A 21 69.218 56.050 79.438 1.00 18.57 H new ATOM 0 HG3 GLU A 21 69.863 54.753 80.015 1.00 18.57 H new ATOM 181 N ALA A 22 73.051 57.145 76.798 1.00 20.13 N ANISOU 181 N ALA A 22 2703 2279 2665 -18 60 -389 N ATOM 182 CA ALA A 22 74.400 57.322 76.257 1.00 21.07 C ANISOU 182 CA ALA A 22 2875 2334 2798 -136 141 -351 C ATOM 183 C ALA A 22 74.613 58.663 75.599 1.00 23.18 C ANISOU 183 C ALA A 22 3256 2515 3035 -289 156 -281 C ATOM 184 O ALA A 22 75.744 59.038 75.322 1.00 24.72 O ANISOU 184 O ALA A 22 3395 2840 3158 -247 394 -227 O ATOM 185 CB ALA A 22 74.728 56.198 75.272 1.00 21.03 C ANISOU 185 CB ALA A 22 2794 2465 2733 -464 326 -442 C ATOM 0 H ALA A 22 72.517 56.713 76.281 1.00 20.13 H new ATOM 0 HA ALA A 22 75.004 57.286 77.015 1.00 21.07 H new ATOM 0 HB1 ALA A 22 75.623 56.326 74.921 1.00 21.03 H new ATOM 0 HB2 ALA A 22 74.679 55.343 75.728 1.00 21.03 H new ATOM 0 HB3 ALA A 22 74.090 56.211 74.542 1.00 21.03 H new ATOM 186 N GLY A 23 73.533 59.404 75.369 1.00 24.13 N ANISOU 186 N GLY A 23 3560 2478 3132 -190 42 -334 N ATOM 187 CA GLY A 23 73.633 60.704 74.747 1.00 24.60 C ANISOU 187 CA GLY A 23 3651 2491 3205 -147 41 -342 C ATOM 188 C GLY A 23 74.032 60.616 73.291 1.00 25.89 C ANISOU 188 C GLY A 23 4082 2415 3339 -384 119 -116 C ATOM 189 O GLY A 23 74.688 61.512 72.780 1.00 27.97 O ANISOU 189 O GLY A 23 4401 2662 3566 -560 179 44 O ATOM 0 H GLY A 23 72.732 59.164 75.569 1.00 24.13 H new ATOM 0 HA2 GLY A 23 72.780 61.161 74.819 1.00 24.60 H new ATOM 0 HA3 GLY A 23 74.284 61.240 75.226 1.00 24.60 H new ATOM 190 N LEU A 24 73.651 59.533 72.627 1.00 24.37 N ANISOU 190 N LEU A 24 3704 2350 3206 -548 152 26 N ATOM 191 CA LEU A 24 73.953 59.362 71.201 1.00 26.27 C ANISOU 191 CA LEU A 24 3945 2650 3385 -660 275 63 C ATOM 192 C LEU A 24 72.875 60.025 70.340 1.00 30.09 C ANISOU 192 C LEU A 24 4453 3379 3599 -439 62 205 C ATOM 193 O LEU A 24 71.690 59.939 70.646 1.00 30.71 O ANISOU 193 O LEU A 24 4320 3655 3694 -235 -268 159 O ATOM 194 CB LEU A 24 74.066 57.887 70.830 1.00 27.02 C ANISOU 194 CB LEU A 24 3794 2767 3705 -665 402 -92 C ATOM 195 CG LEU A 24 75.280 57.128 71.387 1.00 31.26 C ANISOU 195 CG LEU A 24 3845 3719 4312 -548 250 -78 C ATOM 196 CD1 LEU A 24 75.298 55.681 70.914 1.00 29.91 C ANISOU 196 CD1 LEU A 24 3370 3772 4221 -287 -70 -178 C ATOM 197 CD2 LEU A 24 76.573 57.822 70.998 1.00 35.63 C ANISOU 197 CD2 LEU A 24 4101 4567 4871 -554 313 24 C ATOM 0 H LEU A 24 73.215 58.881 72.980 1.00 24.37 H new ATOM 0 HA LEU A 24 74.807 59.789 71.031 1.00 26.27 H new ATOM 0 HB2 LEU A 24 73.262 57.436 71.132 1.00 27.02 H new ATOM 0 HB3 LEU A 24 74.083 57.818 69.863 1.00 27.02 H new ATOM 0 HG LEU A 24 75.204 57.127 72.354 1.00 31.26 H new ATOM 0 HD11 LEU A 24 76.074 55.230 71.281 1.00 29.91 H new ATOM 0 HD12 LEU A 24 74.492 55.232 71.214 1.00 29.91 H new ATOM 0 HD13 LEU A 24 75.340 55.658 69.945 1.00 29.91 H new ATOM 0 HD21 LEU A 24 77.326 57.329 71.358 1.00 35.63 H new ATOM 0 HD22 LEU A 24 76.643 57.858 70.031 1.00 35.63 H new ATOM 0 HD23 LEU A 24 76.577 58.724 71.356 1.00 35.63 H new ATOM 198 N ASP A 25 73.306 60.680 69.269 1.00 30.05 N ANISOU 198 N ASP A 25 4908 2719 3790 -585 -1 258 N ATOM 199 CA ASP A 25 72.383 61.202 68.280 1.00 32.85 C ANISOU 199 CA ASP A 25 5133 3203 4145 -766 -71 191 C ATOM 200 C ASP A 25 71.835 60.034 67.484 1.00 28.48 C ANISOU 200 C ASP A 25 4461 2812 3550 -491 64 -112 C ATOM 201 O ASP A 25 72.577 59.122 67.101 1.00 29.07 O ANISOU 201 O ASP A 25 4430 2953 3662 -737 80 -188 O ATOM 202 CB ASP A 25 73.072 62.187 67.341 1.00 42.81 C ANISOU 202 CB ASP A 25 6589 4160 5516 -1201 -84 278 C ATOM 203 CG ASP A 25 73.538 63.421 68.056 1.00 55.95 C ANISOU 203 CG ASP A 25 8467 5658 7132 -1406 123 -52 C ATOM 204 OD1 ASP A 25 72.780 63.954 68.896 1.00 57.46 O ANISOU 204 OD1 ASP A 25 8709 5908 7215 -1028 68 -187 O ATOM 205 OD2 ASP A 25 74.671 63.853 67.782 1.00 68.62 O ANISOU 205 OD2 ASP A 25 8771 8991 8309 -1307 393 -174 O ATOM 0 H ASP A 25 74.135 60.832 69.099 1.00 30.05 H new ATOM 0 HA ASP A 25 71.668 61.679 68.731 1.00 32.85 H new ATOM 0 HB2 ASP A 25 73.831 61.753 66.920 1.00 42.81 H new ATOM 0 HB3 ASP A 25 72.459 62.438 66.632 1.00 42.81 H new ATOM 206 N TYR A 26 70.527 60.037 67.277 1.00 23.73 N ANISOU 206 N TYR A 26 3994 1990 3031 29 195 -178 N ATOM 207 CA TYR A 26 69.880 58.993 66.476 1.00 21.39 C ANISOU 207 CA TYR A 26 3562 1789 2776 39 206 -64 C ATOM 208 C TYR A 26 68.637 59.494 65.780 1.00 22.85 C ANISOU 208 C TYR A 26 3955 1869 2858 148 55 64 C ATOM 209 O TYR A 26 68.048 60.490 66.196 1.00 23.44 O ANISOU 209 O TYR A 26 4095 1883 2928 288 -72 61 O ATOM 210 CB TYR A 26 69.534 57.803 67.330 1.00 21.82 C ANISOU 210 CB TYR A 26 3621 2019 2651 -67 232 -16 C ATOM 211 CG TYR A 26 68.511 58.055 68.402 1.00 21.55 C ANISOU 211 CG TYR A 26 3441 2081 2667 66 170 -11 C ATOM 212 CD1 TYR A 26 68.863 58.682 69.593 1.00 21.14 C ANISOU 212 CD1 TYR A 26 3378 1955 2698 38 183 -34 C ATOM 213 CD2 TYR A 26 67.193 57.617 68.252 1.00 21.48 C ANISOU 213 CD2 TYR A 26 3369 2083 2710 184 90 -47 C ATOM 214 CE1 TYR A 26 67.926 58.895 70.594 1.00 21.90 C ANISOU 214 CE1 TYR A 26 3626 1929 2765 248 167 -164 C ATOM 215 CE2 TYR A 26 66.257 57.816 69.252 1.00 21.67 C ANISOU 215 CE2 TYR A 26 3328 2108 2799 267 58 -119 C ATOM 216 CZ TYR A 26 66.627 58.457 70.413 1.00 23.40 C ANISOU 216 CZ TYR A 26 3502 2487 2903 563 115 -191 C ATOM 217 OH TYR A 26 65.697 58.618 71.398 1.00 25.01 O ANISOU 217 OH TYR A 26 3613 2801 3088 812 164 -136 O ATOM 0 H TYR A 26 69.991 60.632 67.589 1.00 23.73 H new ATOM 0 HA TYR A 26 70.518 58.729 65.795 1.00 21.39 H new ATOM 0 HB2 TYR A 26 69.208 57.094 66.754 1.00 21.82 H new ATOM 0 HB3 TYR A 26 70.346 57.478 67.749 1.00 21.82 H new ATOM 0 HD1 TYR A 26 69.740 58.963 69.720 1.00 21.14 H new ATOM 0 HD2 TYR A 26 66.941 57.185 67.468 1.00 21.48 H new ATOM 0 HE1 TYR A 26 68.170 59.329 71.380 1.00 21.90 H new ATOM 0 HE2 TYR A 26 65.383 57.518 69.140 1.00 21.67 H new ATOM 0 HH TYR A 26 65.964 59.199 71.943 1.00 25.01 H new ATOM 218 N ARG A 27 68.257 58.810 64.706 1.00 23.71 N ANISOU 218 N ARG A 27 4152 1899 2957 157 -25 197 N ATOM 219 CA ARG A 27 67.010 59.090 64.015 1.00 26.63 C ANISOU 219 CA ARG A 27 4506 2369 3244 181 -71 364 C ATOM 220 C ARG A 27 66.053 57.940 64.255 1.00 25.06 C ANISOU 220 C ARG A 27 4120 2259 3144 404 -63 279 C ATOM 221 O ARG A 27 66.417 56.772 64.092 1.00 23.96 O ANISOU 221 O ARG A 27 3701 2287 3115 467 -147 242 O ATOM 222 CB ARG A 27 67.273 59.258 62.518 1.00 33.57 C ANISOU 222 CB ARG A 27 5474 3569 3711 -43 -88 518 C ATOM 223 CG ARG A 27 66.020 59.255 61.671 1.00 39.39 C ANISOU 223 CG ARG A 27 6065 4681 4220 -9 61 293 C ATOM 224 CD ARG A 27 66.310 59.681 60.237 1.00 44.25 C ANISOU 224 CD ARG A 27 7000 5109 4705 320 337 433 C ATOM 225 NE ARG A 27 67.459 58.966 59.686 1.00 48.11 N ANISOU 225 NE ARG A 27 7484 5753 5044 602 234 755 N ATOM 226 CZ ARG A 27 67.957 59.160 58.465 1.00 46.67 C ANISOU 226 CZ ARG A 27 7625 5361 4748 262 57 1135 C ATOM 227 NH1 ARG A 27 67.399 60.056 57.651 1.00 45.15 N ANISOU 227 NH1 ARG A 27 8464 3729 4961 760 -214 1264 N ATOM 228 NH2 ARG A 27 69.013 58.459 58.047 1.00 41.59 N ANISOU 228 NH2 ARG A 27 6680 4085 5037 -115 231 1589 N ATOM 0 H ARG A 27 68.717 58.171 64.359 1.00 23.71 H new ATOM 0 HA ARG A 27 66.621 59.912 64.352 1.00 26.63 H new ATOM 0 HB2 ARG A 27 67.748 60.091 62.374 1.00 33.57 H new ATOM 0 HB3 ARG A 27 67.857 58.543 62.219 1.00 33.57 H new ATOM 0 HG2 ARG A 27 65.630 58.367 61.673 1.00 39.39 H new ATOM 0 HG3 ARG A 27 65.364 59.854 62.061 1.00 39.39 H new ATOM 0 HD2 ARG A 27 65.530 59.515 59.685 1.00 44.25 H new ATOM 0 HD3 ARG A 27 66.479 60.636 60.210 1.00 44.25 H new ATOM 0 HE ARG A 27 67.841 58.379 60.185 1.00 48.11 H new ATOM 0 HH11 ARG A 27 66.717 60.510 57.914 1.00 45.15 H new ATOM 0 HH12 ARG A 27 67.721 60.181 56.863 1.00 45.15 H new ATOM 0 HH21 ARG A 27 69.376 57.878 58.567 1.00 41.59 H new ATOM 0 HH22 ARG A 27 69.330 58.588 57.258 1.00 41.59 H new ATOM 229 N LEU A 28 64.841 58.260 64.676 1.00 25.20 N ANISOU 229 N LEU A 28 4285 2104 3185 741 1 290 N ATOM 230 CA LEU A 28 63.823 57.247 64.885 1.00 24.78 C ANISOU 230 CA LEU A 28 3965 2143 3306 1057 5 179 C ATOM 231 C LEU A 28 63.035 57.037 63.607 1.00 24.60 C ANISOU 231 C LEU A 28 3801 2287 3258 898 -144 193 C ATOM 232 O LEU A 28 62.444 57.964 63.077 1.00 27.20 O ANISOU 232 O LEU A 28 4414 2440 3479 1093 -290 119 O ATOM 233 CB LEU A 28 62.910 57.670 66.030 1.00 25.91 C ANISOU 233 CB LEU A 28 3950 2382 3512 1488 140 30 C ATOM 234 CG LEU A 28 62.252 56.633 66.892 1.00 28.47 C ANISOU 234 CG LEU A 28 4101 2974 3744 1122 174 -209 C ATOM 235 CD1 LEU A 28 63.294 55.751 67.545 1.00 29.31 C ANISOU 235 CD1 LEU A 28 3823 3464 3849 864 181 -33 C ATOM 236 CD2 LEU A 28 61.406 57.295 67.968 1.00 33.18 C ANISOU 236 CD2 LEU A 28 4873 3820 3915 819 125 -700 C ATOM 0 H LEU A 28 64.586 59.063 64.847 1.00 25.20 H new ATOM 0 HA LEU A 28 64.243 56.405 65.122 1.00 24.78 H new ATOM 0 HB2 LEU A 28 63.429 58.243 66.615 1.00 25.91 H new ATOM 0 HB3 LEU A 28 62.205 58.217 65.649 1.00 25.91 H new ATOM 0 HG LEU A 28 61.681 56.089 66.327 1.00 28.47 H new ATOM 0 HD11 LEU A 28 62.855 55.086 68.098 1.00 29.31 H new ATOM 0 HD12 LEU A 28 63.817 55.306 66.860 1.00 29.31 H new ATOM 0 HD13 LEU A 28 63.879 56.294 68.096 1.00 29.31 H new ATOM 0 HD21 LEU A 28 60.988 56.613 68.516 1.00 33.18 H new ATOM 0 HD22 LEU A 28 61.970 57.855 68.524 1.00 33.18 H new ATOM 0 HD23 LEU A 28 60.720 57.840 67.551 1.00 33.18 H new ATOM 237 N ILE A 29 63.039 55.816 63.100 1.00 21.77 N ANISOU 237 N ILE A 29 3117 2180 2976 793 -101 311 N ATOM 238 CA ILE A 29 62.322 55.485 61.889 1.00 22.70 C ANISOU 238 CA ILE A 29 3491 2317 2817 615 -71 391 C ATOM 239 C ILE A 29 61.209 54.511 62.257 1.00 22.89 C ANISOU 239 C ILE A 29 3372 2496 2830 791 -154 416 C ATOM 240 O ILE A 29 61.475 53.404 62.665 1.00 21.57 O ANISOU 240 O ILE A 29 3081 2310 2805 732 -181 339 O ATOM 241 CB ILE A 29 63.260 54.864 60.848 1.00 22.71 C ANISOU 241 CB ILE A 29 3519 2263 2846 575 -94 363 C ATOM 242 CG1 ILE A 29 64.389 55.846 60.532 1.00 24.88 C ANISOU 242 CG1 ILE A 29 3710 2655 3089 318 3 191 C ATOM 243 CG2 ILE A 29 62.505 54.528 59.576 1.00 22.48 C ANISOU 243 CG2 ILE A 29 3619 2223 2701 568 -103 367 C ATOM 244 CD1 ILE A 29 65.528 55.196 59.810 1.00 26.75 C ANISOU 244 CD1 ILE A 29 4015 2881 3269 27 281 33 C ATOM 0 H ILE A 29 63.461 55.154 63.452 1.00 21.77 H new ATOM 0 HA ILE A 29 61.950 56.289 61.495 1.00 22.70 H new ATOM 0 HB ILE A 29 63.629 54.044 61.212 1.00 22.71 H new ATOM 0 HG12 ILE A 29 64.040 56.573 59.992 1.00 24.88 H new ATOM 0 HG13 ILE A 29 64.714 56.237 61.358 1.00 24.88 H new ATOM 0 HG21 ILE A 29 63.115 54.137 58.931 1.00 22.48 H new ATOM 0 HG22 ILE A 29 61.798 53.895 59.777 1.00 22.48 H new ATOM 0 HG23 ILE A 29 62.119 55.337 59.206 1.00 22.48 H new ATOM 0 HD11 ILE A 29 66.217 55.855 59.632 1.00 26.75 H new ATOM 0 HD12 ILE A 29 65.895 54.485 60.358 1.00 26.75 H new ATOM 0 HD13 ILE A 29 65.211 54.826 58.971 1.00 26.75 H new ATOM 245 N LYS A 30 59.965 54.965 62.149 1.00 25.23 N ANISOU 245 N LYS A 30 3507 2941 3140 1046 -331 494 N ATOM 246 CA LYS A 30 58.843 54.176 62.624 1.00 27.45 C ANISOU 246 CA LYS A 30 3447 3366 3617 1187 -305 357 C ATOM 247 C LYS A 30 58.555 53.065 61.643 1.00 25.30 C ANISOU 247 C LYS A 30 3342 3117 3153 1168 -406 292 C ATOM 248 O LYS A 30 58.469 53.298 60.454 1.00 28.33 O ANISOU 248 O LYS A 30 4205 3337 3224 801 -506 362 O ATOM 249 CB LYS A 30 57.602 55.061 62.807 1.00 33.68 C ANISOU 249 CB LYS A 30 4389 3829 4580 1560 -101 190 C ATOM 250 CG LYS A 30 57.804 56.184 63.820 1.00 45.57 C ANISOU 250 CG LYS A 30 6460 5475 5381 774 -396 105 C ATOM 251 CD LYS A 30 57.372 55.800 65.240 1.00 56.28 C ANISOU 251 CD LYS A 30 8118 7169 6097 912 -1009 382 C ATOM 252 CE LYS A 30 57.714 56.863 66.296 1.00 53.02 C ANISOU 252 CE LYS A 30 7071 6519 6555 1780 -805 304 C ATOM 253 NZ LYS A 30 56.639 57.828 66.661 1.00 57.02 N ANISOU 253 NZ LYS A 30 7415 7337 6913 1284 -86 57 N ATOM 0 H LYS A 30 59.753 55.724 61.805 1.00 25.23 H new ATOM 0 HA LYS A 30 59.070 53.790 63.485 1.00 27.45 H new ATOM 0 HB2 LYS A 30 57.359 55.446 61.951 1.00 33.68 H new ATOM 0 HB3 LYS A 30 56.857 54.508 63.091 1.00 33.68 H new ATOM 0 HG2 LYS A 30 58.740 56.438 63.830 1.00 45.57 H new ATOM 0 HG3 LYS A 30 57.302 56.963 63.535 1.00 45.57 H new ATOM 0 HD2 LYS A 30 56.415 55.644 65.248 1.00 56.28 H new ATOM 0 HD3 LYS A 30 57.798 54.963 65.484 1.00 56.28 H new ATOM 0 HE2 LYS A 30 57.995 56.405 67.104 1.00 53.02 H new ATOM 0 HE3 LYS A 30 58.477 57.369 65.977 1.00 53.02 H new ATOM 0 HZ1 LYS A 30 56.944 58.394 67.276 1.00 57.02 H new ATOM 0 HZ2 LYS A 30 56.390 58.283 65.938 1.00 57.02 H new ATOM 0 HZ3 LYS A 30 55.940 57.384 66.988 1.00 57.02 H new ATOM 254 N VAL A 31 58.450 51.843 62.130 1.00 22.41 N ANISOU 254 N VAL A 31 2805 2927 2781 923 -300 196 N ATOM 255 CA VAL A 31 58.024 50.733 61.296 1.00 20.47 C ANISOU 255 CA VAL A 31 2443 2702 2632 782 -241 179 C ATOM 256 C VAL A 31 56.610 50.387 61.731 1.00 21.72 C ANISOU 256 C VAL A 31 2517 3013 2723 836 -215 163 C ATOM 257 O VAL A 31 56.386 50.117 62.906 1.00 21.60 O ANISOU 257 O VAL A 31 2545 2991 2671 660 -57 144 O ATOM 258 CB VAL A 31 58.978 49.510 61.425 1.00 19.88 C ANISOU 258 CB VAL A 31 2423 2593 2536 682 -221 143 C ATOM 259 CG1 VAL A 31 58.487 48.354 60.561 1.00 20.05 C ANISOU 259 CG1 VAL A 31 2660 2486 2471 800 -171 68 C ATOM 260 CG2 VAL A 31 60.401 49.905 61.049 1.00 19.51 C ANISOU 260 CG2 VAL A 31 2507 2372 2533 554 -210 108 C ATOM 0 H VAL A 31 58.621 51.632 62.946 1.00 22.41 H new ATOM 0 HA VAL A 31 58.048 50.981 60.358 1.00 20.47 H new ATOM 0 HB VAL A 31 58.979 49.215 62.349 1.00 19.88 H new ATOM 0 HG11 VAL A 31 59.092 47.601 60.653 1.00 20.05 H new ATOM 0 HG12 VAL A 31 57.598 48.091 60.847 1.00 20.05 H new ATOM 0 HG13 VAL A 31 58.458 48.633 59.633 1.00 20.05 H new ATOM 0 HG21 VAL A 31 60.984 49.134 61.134 1.00 19.51 H new ATOM 0 HG22 VAL A 31 60.417 50.223 60.133 1.00 19.51 H new ATOM 0 HG23 VAL A 31 60.709 50.609 61.641 1.00 19.51 H new ATOM 261 N ASP A 32 55.657 50.422 60.796 1.00 24.21 N ANISOU 261 N ASP A 32 2681 3481 3036 1209 -419 132 N ATOM 262 CA ASP A 32 54.275 50.157 61.115 1.00 26.59 C ANISOU 262 CA ASP A 32 2842 3842 3419 1164 -623 74 C ATOM 263 C ASP A 32 54.014 48.669 61.125 1.00 25.78 C ANISOU 263 C ASP A 32 2657 3850 3290 900 -498 24 C ATOM 264 O ASP A 32 53.789 48.069 60.075 1.00 27.45 O ANISOU 264 O ASP A 32 2751 4254 3423 894 -499 155 O ATOM 265 CB ASP A 32 53.341 50.861 60.122 1.00 30.36 C ANISOU 265 CB ASP A 32 3130 4275 4130 1468 -714 109 C ATOM 266 CG ASP A 32 51.897 50.934 60.621 1.00 37.19 C ANISOU 266 CG ASP A 32 3679 5475 4975 1151 -613 24 C ATOM 267 OD1 ASP A 32 51.426 50.002 61.300 1.00 38.37 O ANISOU 267 OD1 ASP A 32 3730 5948 4899 1063 -534 35 O ATOM 268 OD2 ASP A 32 51.225 51.933 60.330 1.00 39.86 O ANISOU 268 OD2 ASP A 32 3504 5945 5696 1806 -597 -151 O ATOM 0 H ASP A 32 55.803 50.600 59.967 1.00 24.21 H new ATOM 0 HA ASP A 32 54.094 50.509 62.001 1.00 26.59 H new ATOM 0 HB2 ASP A 32 53.668 51.759 59.957 1.00 30.36 H new ATOM 0 HB3 ASP A 32 53.363 50.391 59.274 1.00 30.36 H new ATOM 269 N LEU A 33 54.031 48.084 62.321 1.00 24.67 N ANISOU 269 N LEU A 33 2431 3729 3214 659 -232 -88 N ATOM 270 CA LEU A 33 53.868 46.644 62.476 1.00 24.85 C ANISOU 270 CA LEU A 33 2231 4027 3184 581 -112 -144 C ATOM 271 C LEU A 33 52.464 46.201 62.162 1.00 26.78 C ANISOU 271 C LEU A 33 2241 4470 3463 395 -127 -181 C ATOM 272 O LEU A 33 52.254 45.060 61.778 1.00 28.08 O ANISOU 272 O LEU A 33 2545 4502 3621 -264 -26 -329 O ATOM 273 CB LEU A 33 54.235 46.196 63.893 1.00 23.49 C ANISOU 273 CB LEU A 33 2022 3883 3019 550 -128 -116 C ATOM 274 CG LEU A 33 55.644 46.560 64.331 1.00 21.77 C ANISOU 274 CG LEU A 33 1917 3435 2918 449 -39 47 C ATOM 275 CD1 LEU A 33 55.919 46.020 65.736 1.00 21.70 C ANISOU 275 CD1 LEU A 33 1916 3548 2781 211 67 122 C ATOM 276 CD2 LEU A 33 56.669 46.018 63.326 1.00 22.08 C ANISOU 276 CD2 LEU A 33 2086 3338 2967 682 -43 132 C ATOM 0 H LEU A 33 54.137 48.510 63.061 1.00 24.67 H new ATOM 0 HA LEU A 33 54.472 46.227 61.841 1.00 24.85 H new ATOM 0 HB2 LEU A 33 53.604 46.589 64.516 1.00 23.49 H new ATOM 0 HB3 LEU A 33 54.130 45.234 63.952 1.00 23.49 H new ATOM 0 HG LEU A 33 55.725 47.526 64.356 1.00 21.77 H new ATOM 0 HD11 LEU A 33 56.820 46.258 66.004 1.00 21.70 H new ATOM 0 HD12 LEU A 33 55.284 46.404 66.361 1.00 21.70 H new ATOM 0 HD13 LEU A 33 55.827 45.054 65.735 1.00 21.70 H new ATOM 0 HD21 LEU A 33 57.564 46.256 63.616 1.00 22.08 H new ATOM 0 HD22 LEU A 33 56.593 45.052 63.274 1.00 22.08 H new ATOM 0 HD23 LEU A 33 56.500 46.402 62.452 1.00 22.08 H new ATOM 277 N GLY A 34 51.506 47.106 62.327 1.00 27.71 N ANISOU 277 N GLY A 34 2158 4750 3621 628 -356 -44 N ATOM 278 CA GLY A 34 50.106 46.797 62.081 1.00 30.55 C ANISOU 278 CA GLY A 34 2384 5399 3826 275 -496 29 C ATOM 279 C GLY A 34 49.809 46.672 60.605 1.00 31.61 C ANISOU 279 C GLY A 34 2400 5378 4234 487 -523 -155 C ATOM 280 O GLY A 34 48.886 45.967 60.211 1.00 34.03 O ANISOU 280 O GLY A 34 2557 5840 4533 428 -401 -353 O ATOM 0 H GLY A 34 51.650 47.914 62.584 1.00 27.71 H new ATOM 0 HA2 GLY A 34 49.874 45.968 62.529 1.00 30.55 H new ATOM 0 HA3 GLY A 34 49.549 47.492 62.465 1.00 30.55 H new ATOM 281 N LYS A 35 50.608 47.352 59.789 1.00 29.29 N ANISOU 281 N LYS A 35 2218 4794 4115 758 -618 -132 N ATOM 282 CA LYS A 35 50.420 47.338 58.342 1.00 29.70 C ANISOU 282 CA LYS A 35 2467 4607 4210 872 -623 -14 C ATOM 283 C LYS A 35 51.486 46.530 57.604 1.00 26.23 C ANISOU 283 C LYS A 35 2180 4250 3536 655 -652 111 C ATOM 284 O LYS A 35 51.589 46.620 56.382 1.00 25.84 O ANISOU 284 O LYS A 35 2411 4101 3306 900 -698 117 O ATOM 285 CB LYS A 35 50.411 48.764 57.807 1.00 35.80 C ANISOU 285 CB LYS A 35 3216 5126 5260 1220 -562 72 C ATOM 286 CG LYS A 35 49.188 49.550 58.226 1.00 43.43 C ANISOU 286 CG LYS A 35 3961 6125 6414 1595 -561 324 C ATOM 287 CD LYS A 35 49.361 51.019 57.886 1.00 54.13 C ANISOU 287 CD LYS A 35 5564 7362 7641 1816 -714 689 C ATOM 288 CE LYS A 35 48.024 51.710 57.666 1.00 62.53 C ANISOU 288 CE LYS A 35 6985 8184 8591 3010 -1010 1021 C ATOM 289 NZ LYS A 35 48.208 53.049 57.026 1.00 69.31 N ANISOU 289 NZ LYS A 35 8678 8493 9164 4264 -1256 1179 N ATOM 0 H LYS A 35 51.270 47.832 60.056 1.00 29.29 H new ATOM 0 HA LYS A 35 49.568 46.905 58.179 1.00 29.70 H new ATOM 0 HB2 LYS A 35 51.206 49.225 58.117 1.00 35.80 H new ATOM 0 HB3 LYS A 35 50.457 48.740 56.838 1.00 35.80 H new ATOM 0 HG2 LYS A 35 48.402 49.199 57.779 1.00 43.43 H new ATOM 0 HG3 LYS A 35 49.042 49.448 59.179 1.00 43.43 H new ATOM 0 HD2 LYS A 35 49.840 51.463 58.603 1.00 54.13 H new ATOM 0 HD3 LYS A 35 49.904 51.104 57.087 1.00 54.13 H new ATOM 0 HE2 LYS A 35 47.459 51.156 57.106 1.00 62.53 H new ATOM 0 HE3 LYS A 35 47.567 51.814 58.515 1.00 62.53 H new ATOM 0 HZ1 LYS A 35 47.414 53.433 56.908 1.00 69.31 H new ATOM 0 HZ2 LYS A 35 48.710 53.563 57.551 1.00 69.31 H new ATOM 0 HZ3 LYS A 35 48.609 52.949 56.238 1.00 69.31 H new ATOM 290 N GLY A 36 52.284 45.765 58.338 1.00 24.19 N ANISOU 290 N GLY A 36 1855 4067 3269 302 -638 203 N ATOM 291 CA GLY A 36 53.236 44.876 57.694 1.00 23.41 C ANISOU 291 CA GLY A 36 2277 3605 3014 364 -713 184 C ATOM 292 C GLY A 36 54.486 45.559 57.177 1.00 23.43 C ANISOU 292 C GLY A 36 2582 3502 2819 369 -629 169 C ATOM 293 O GLY A 36 55.201 45.011 56.321 1.00 24.48 O ANISOU 293 O GLY A 36 2988 3558 2755 211 -625 101 O ATOM 0 H GLY A 36 52.290 45.746 59.198 1.00 24.19 H new ATOM 0 HA2 GLY A 36 53.496 44.187 58.325 1.00 23.41 H new ATOM 0 HA3 GLY A 36 52.795 44.431 56.954 1.00 23.41 H new ATOM 294 N GLY A 37 54.808 46.718 57.741 1.00 21.74 N ANISOU 294 N GLY A 37 2497 3156 2608 601 -482 226 N ATOM 295 CA GLY A 37 56.064 47.397 57.436 1.00 20.18 C ANISOU 295 CA GLY A 37 2357 2892 2419 564 -496 225 C ATOM 296 C GLY A 37 57.305 46.542 57.675 1.00 18.78 C ANISOU 296 C GLY A 37 2262 2651 2222 488 -341 279 C ATOM 297 O GLY A 37 58.353 46.723 57.029 1.00 18.00 O ANISOU 297 O GLY A 37 2266 2383 2192 531 -284 364 O ATOM 0 H GLY A 37 54.310 47.131 58.307 1.00 21.74 H new ATOM 0 HA2 GLY A 37 56.051 47.680 56.508 1.00 20.18 H new ATOM 0 HA3 GLY A 37 56.127 48.200 57.977 1.00 20.18 H new ATOM 298 N GLN A 38 57.203 45.608 58.606 1.00 17.06 N ANISOU 298 N GLN A 38 1957 2399 2127 360 -195 236 N ATOM 299 CA GLN A 38 58.355 44.759 58.929 1.00 15.76 C ANISOU 299 CA GLN A 38 1574 2334 2080 149 -165 208 C ATOM 300 C GLN A 38 58.646 43.700 57.867 1.00 17.41 C ANISOU 300 C GLN A 38 1934 2568 2113 35 -92 242 C ATOM 301 O GLN A 38 59.635 42.957 57.986 1.00 16.76 O ANISOU 301 O GLN A 38 1917 2377 2073 71 25 304 O ATOM 302 CB GLN A 38 58.168 44.097 60.306 1.00 14.51 C ANISOU 302 CB GLN A 38 1406 2020 2089 183 -224 147 C ATOM 303 CG GLN A 38 57.055 43.029 60.381 1.00 16.55 C ANISOU 303 CG GLN A 38 1554 2471 2265 -65 -192 67 C ATOM 304 CD GLN A 38 55.660 43.613 60.657 1.00 19.34 C ANISOU 304 CD GLN A 38 1871 2960 2517 77 -64 197 C ATOM 305 OE1 GLN A 38 55.295 44.680 60.150 1.00 20.62 O ANISOU 305 OE1 GLN A 38 2113 3126 2594 -20 -47 321 O ATOM 306 NE2 GLN A 38 54.871 42.895 61.462 1.00 20.86 N ANISOU 306 NE2 GLN A 38 2039 3231 2657 208 29 319 N ATOM 0 H GLN A 38 56.491 45.445 59.060 1.00 17.06 H new ATOM 0 HA GLN A 38 59.127 45.346 58.951 1.00 15.76 H new ATOM 0 HB2 GLN A 38 59.007 43.687 60.568 1.00 14.51 H new ATOM 0 HB3 GLN A 38 57.976 44.789 60.958 1.00 14.51 H new ATOM 0 HG2 GLN A 38 57.032 42.537 59.545 1.00 16.55 H new ATOM 0 HG3 GLN A 38 57.275 42.392 61.079 1.00 16.55 H new ATOM 0 HE21 GLN A 38 55.157 42.157 61.798 1.00 20.86 H new ATOM 0 HE22 GLN A 38 54.077 43.171 61.644 1.00 20.86 H new ATOM 307 N PHE A 39 57.775 43.592 56.856 1.00 19.10 N ANISOU 307 N PHE A 39 2204 2812 2240 31 -175 185 N ATOM 308 CA PHE A 39 57.968 42.639 55.767 1.00 20.17 C ANISOU 308 CA PHE A 39 2558 2803 2302 -68 -261 59 C ATOM 309 C PHE A 39 58.391 43.314 54.464 1.00 21.80 C ANISOU 309 C PHE A 39 3132 2876 2275 -103 -273 47 C ATOM 310 O PHE A 39 58.523 42.656 53.431 1.00 21.79 O ANISOU 310 O PHE A 39 3174 2861 2243 -143 -323 -82 O ATOM 311 CB PHE A 39 56.698 41.810 55.527 1.00 20.44 C ANISOU 311 CB PHE A 39 2322 2975 2471 -21 -303 -12 C ATOM 312 CG PHE A 39 56.244 41.058 56.740 1.00 22.04 C ANISOU 312 CG PHE A 39 2609 3080 2687 -248 -339 116 C ATOM 313 CD1 PHE A 39 56.961 39.958 57.202 1.00 23.12 C ANISOU 313 CD1 PHE A 39 2882 3219 2682 -257 -355 216 C ATOM 314 CD2 PHE A 39 55.140 41.479 57.456 1.00 24.23 C ANISOU 314 CD2 PHE A 39 2816 3561 2828 -395 -255 171 C ATOM 315 CE1 PHE A 39 56.561 39.283 58.352 1.00 22.90 C ANISOU 315 CE1 PHE A 39 2608 3352 2741 -430 -336 184 C ATOM 316 CE2 PHE A 39 54.743 40.810 58.606 1.00 24.41 C ANISOU 316 CE2 PHE A 39 2907 3484 2885 -302 -282 217 C ATOM 317 CZ PHE A 39 55.454 39.712 59.044 1.00 22.82 C ANISOU 317 CZ PHE A 39 2505 3303 2864 -340 -382 150 C ATOM 0 H PHE A 39 57.062 44.068 56.787 1.00 19.10 H new ATOM 0 HA PHE A 39 58.689 42.053 56.045 1.00 20.17 H new ATOM 0 HB2 PHE A 39 55.985 42.399 55.234 1.00 20.44 H new ATOM 0 HB3 PHE A 39 56.861 41.181 54.806 1.00 20.44 H new ATOM 0 HD1 PHE A 39 57.714 39.671 56.738 1.00 23.12 H new ATOM 0 HD2 PHE A 39 54.657 42.219 57.164 1.00 24.23 H new ATOM 0 HE1 PHE A 39 57.041 38.545 58.651 1.00 22.90 H new ATOM 0 HE2 PHE A 39 53.998 41.102 59.081 1.00 24.41 H new ATOM 0 HZ PHE A 39 55.183 39.260 59.811 1.00 22.82 H new ATOM 318 N ARG A 40 58.615 44.626 54.498 1.00 21.44 N ANISOU 318 N ARG A 40 3145 2778 2224 207 -178 167 N ATOM 319 CA ARG A 40 59.069 45.305 53.285 1.00 21.63 C ANISOU 319 CA ARG A 40 3117 2903 2198 267 -187 277 C ATOM 320 C ARG A 40 60.470 44.787 52.903 1.00 19.62 C ANISOU 320 C ARG A 40 2888 2712 1856 157 -208 193 C ATOM 321 O ARG A 40 61.338 44.684 53.758 1.00 18.91 O ANISOU 321 O ARG A 40 2832 2639 1714 193 -69 209 O ATOM 322 CB ARG A 40 59.096 46.806 53.476 1.00 24.23 C ANISOU 322 CB ARG A 40 3481 2964 2760 209 -179 492 C ATOM 323 CG ARG A 40 57.739 47.457 53.336 1.00 29.52 C ANISOU 323 CG ARG A 40 3809 3916 3493 385 -142 439 C ATOM 324 CD ARG A 40 57.791 48.911 53.775 1.00 35.75 C ANISOU 324 CD ARG A 40 4573 4582 4429 319 -87 248 C ATOM 325 NE ARG A 40 58.324 49.012 55.138 1.00 42.24 N ANISOU 325 NE ARG A 40 5396 5736 4919 -335 -311 509 N ATOM 326 CZ ARG A 40 59.474 49.592 55.481 1.00 43.48 C ANISOU 326 CZ ARG A 40 5627 5792 5102 -266 -566 584 C ATOM 327 NH1 ARG A 40 60.250 50.183 54.552 1.00 42.84 N ANISOU 327 NH1 ARG A 40 5782 4916 5581 -791 -558 627 N ATOM 328 NH2 ARG A 40 59.834 49.584 56.754 1.00 37.74 N ANISOU 328 NH2 ARG A 40 5086 4638 4616 117 -589 619 N ATOM 0 H ARG A 40 58.515 45.128 55.189 1.00 21.44 H new ATOM 0 HA ARG A 40 58.445 45.111 52.568 1.00 21.63 H new ATOM 0 HB2 ARG A 40 59.454 47.006 54.355 1.00 24.23 H new ATOM 0 HB3 ARG A 40 59.702 47.196 52.827 1.00 24.23 H new ATOM 0 HG2 ARG A 40 57.443 47.403 52.414 1.00 29.52 H new ATOM 0 HG3 ARG A 40 57.088 46.976 53.871 1.00 29.52 H new ATOM 0 HD2 ARG A 40 58.347 49.420 53.165 1.00 35.75 H new ATOM 0 HD3 ARG A 40 56.902 49.298 53.739 1.00 35.75 H new ATOM 0 HE ARG A 40 57.854 48.667 55.770 1.00 42.24 H new ATOM 0 HH11 ARG A 40 60.005 50.189 53.728 1.00 42.84 H new ATOM 0 HH12 ARG A 40 60.990 50.555 54.783 1.00 42.84 H new ATOM 0 HH21 ARG A 40 59.329 49.210 57.341 1.00 37.74 H new ATOM 0 HH22 ARG A 40 60.573 49.953 56.994 1.00 37.74 H new ATOM 329 N PRO A 41 60.692 44.493 51.620 1.00 20.12 N ANISOU 329 N PRO A 41 3058 2660 1928 -113 -351 145 N ATOM 330 CA PRO A 41 61.966 43.931 51.180 1.00 20.87 C ANISOU 330 CA PRO A 41 3298 2745 1887 -111 -179 148 C ATOM 331 C PRO A 41 63.167 44.754 51.629 1.00 19.42 C ANISOU 331 C PRO A 41 3114 2461 1803 -160 -8 236 C ATOM 332 O PRO A 41 64.183 44.178 52.048 1.00 19.37 O ANISOU 332 O PRO A 41 3081 2448 1832 -126 -36 357 O ATOM 333 CB PRO A 41 61.857 43.945 49.655 1.00 23.32 C ANISOU 333 CB PRO A 41 3715 3115 2032 -195 -184 85 C ATOM 334 CG PRO A 41 60.408 43.919 49.382 1.00 25.88 C ANISOU 334 CG PRO A 41 3969 3759 2107 -107 -267 28 C ATOM 335 CD PRO A 41 59.772 44.712 50.492 1.00 23.91 C ANISOU 335 CD PRO A 41 3587 3392 2107 -65 -455 112 C ATOM 0 HA PRO A 41 62.113 43.050 51.559 1.00 20.87 H new ATOM 0 HB2 PRO A 41 62.272 44.737 49.279 1.00 23.32 H new ATOM 0 HB3 PRO A 41 62.303 43.178 49.263 1.00 23.32 H new ATOM 0 HG2 PRO A 41 60.209 44.309 48.516 1.00 25.88 H new ATOM 0 HG3 PRO A 41 60.072 43.009 49.367 1.00 25.88 H new ATOM 0 HD2 PRO A 41 59.698 45.652 50.266 1.00 23.91 H new ATOM 0 HD3 PRO A 41 58.877 44.397 50.692 1.00 23.91 H new ATOM 336 N GLU A 42 63.065 46.071 51.551 1.00 19.38 N ANISOU 336 N GLU A 42 3152 2353 1859 195 106 188 N ATOM 337 CA GLU A 42 64.205 46.911 51.943 1.00 21.26 C ANISOU 337 CA GLU A 42 3380 2623 2075 71 101 151 C ATOM 338 C GLU A 42 64.497 46.825 53.441 1.00 19.73 C ANISOU 338 C GLU A 42 3146 2477 1873 77 163 170 C ATOM 339 O GLU A 42 65.653 46.970 53.866 1.00 19.66 O ANISOU 339 O GLU A 42 3226 2354 1891 -38 242 187 O ATOM 340 CB GLU A 42 64.047 48.370 51.484 1.00 24.83 C ANISOU 340 CB GLU A 42 3948 2902 2584 -38 -44 117 C ATOM 341 CG GLU A 42 62.740 49.021 51.889 1.00 29.62 C ANISOU 341 CG GLU A 42 4541 3572 3141 215 -231 46 C ATOM 342 CD GLU A 42 61.605 48.815 50.906 1.00 33.37 C ANISOU 342 CD GLU A 42 5268 3604 3806 391 -483 255 C ATOM 343 OE1 GLU A 42 61.400 47.714 50.412 1.00 29.80 O ANISOU 343 OE1 GLU A 42 4477 3555 3290 329 -339 197 O ATOM 344 OE2 GLU A 42 60.860 49.769 50.678 1.00 39.52 O ANISOU 344 OE2 GLU A 42 6226 4221 4567 802 -744 540 O ATOM 0 H GLU A 42 62.368 46.497 51.282 1.00 19.38 H new ATOM 0 HA GLU A 42 64.976 46.551 51.478 1.00 21.26 H new ATOM 0 HB2 GLU A 42 64.780 48.892 51.846 1.00 24.83 H new ATOM 0 HB3 GLU A 42 64.125 48.403 50.518 1.00 24.83 H new ATOM 0 HG2 GLU A 42 62.472 48.672 52.753 1.00 29.62 H new ATOM 0 HG3 GLU A 42 62.887 49.973 52.001 1.00 29.62 H new ATOM 345 N PHE A 43 63.461 46.579 54.240 1.00 17.29 N ANISOU 345 N PHE A 43 2726 2121 1722 37 64 212 N ATOM 346 CA PHE A 43 63.659 46.424 55.676 1.00 15.90 C ANISOU 346 CA PHE A 43 2388 1963 1690 121 65 200 C ATOM 347 C PHE A 43 64.221 45.042 56.028 1.00 15.90 C ANISOU 347 C PHE A 43 2332 1974 1735 95 204 138 C ATOM 348 O PHE A 43 65.035 44.903 56.921 1.00 15.84 O ANISOU 348 O PHE A 43 2202 2079 1737 4 248 115 O ATOM 349 CB PHE A 43 62.372 46.680 56.443 1.00 15.31 C ANISOU 349 CB PHE A 43 2287 1847 1684 114 29 195 C ATOM 350 CG PHE A 43 62.506 46.467 57.915 1.00 15.98 C ANISOU 350 CG PHE A 43 2278 1960 1835 193 100 167 C ATOM 351 CD1 PHE A 43 63.194 47.375 58.703 1.00 17.17 C ANISOU 351 CD1 PHE A 43 2476 2207 1840 153 18 170 C ATOM 352 CD2 PHE A 43 61.948 45.349 58.512 1.00 15.93 C ANISOU 352 CD2 PHE A 43 2134 2032 1885 243 219 118 C ATOM 353 CE1 PHE A 43 63.321 47.158 60.083 1.00 17.63 C ANISOU 353 CE1 PHE A 43 2645 2213 1842 145 187 31 C ATOM 354 CE2 PHE A 43 62.058 45.142 59.876 1.00 16.21 C ANISOU 354 CE2 PHE A 43 2029 2275 1856 348 147 67 C ATOM 355 CZ PHE A 43 62.754 46.042 60.658 1.00 16.02 C ANISOU 355 CZ PHE A 43 2104 2093 1890 338 276 -57 C ATOM 0 H PHE A 43 62.647 46.499 53.974 1.00 17.29 H new ATOM 0 HA PHE A 43 64.313 47.089 55.942 1.00 15.90 H new ATOM 0 HB2 PHE A 43 62.082 47.591 56.280 1.00 15.31 H new ATOM 0 HB3 PHE A 43 61.678 46.096 56.100 1.00 15.31 H new ATOM 0 HD1 PHE A 43 63.573 48.131 58.316 1.00 17.17 H new ATOM 0 HD2 PHE A 43 61.493 44.729 57.989 1.00 15.93 H new ATOM 0 HE1 PHE A 43 63.787 47.767 60.609 1.00 17.63 H new ATOM 0 HE2 PHE A 43 61.663 44.396 60.266 1.00 16.21 H new ATOM 0 HZ PHE A 43 62.840 45.895 61.572 1.00 16.02 H new ATOM 356 N LEU A 44 63.761 44.021 55.328 1.00 16.42 N ANISOU 356 N LEU A 44 2351 2120 1766 -1 224 120 N ATOM 357 CA LEU A 44 64.254 42.675 55.530 1.00 17.35 C ANISOU 357 CA LEU A 44 2550 2212 1832 -87 152 136 C ATOM 358 C LEU A 44 65.754 42.557 55.293 1.00 17.52 C ANISOU 358 C LEU A 44 2624 2197 1835 -37 264 128 C ATOM 359 O LEU A 44 66.395 41.688 55.883 1.00 18.64 O ANISOU 359 O LEU A 44 2822 2370 1891 -49 321 178 O ATOM 360 CB LEU A 44 63.501 41.685 54.650 1.00 18.32 C ANISOU 360 CB LEU A 44 2705 2270 1987 -14 -36 168 C ATOM 361 CG LEU A 44 62.044 41.499 55.083 1.00 20.14 C ANISOU 361 CG LEU A 44 2880 2621 2150 -144 -111 194 C ATOM 362 CD1 LEU A 44 61.277 40.713 54.035 1.00 21.51 C ANISOU 362 CD1 LEU A 44 3138 2837 2196 -418 -97 164 C ATOM 363 CD2 LEU A 44 61.953 40.821 56.446 1.00 20.36 C ANISOU 363 CD2 LEU A 44 2810 2677 2247 -24 -154 284 C ATOM 0 H LEU A 44 63.154 44.089 54.722 1.00 16.42 H new ATOM 0 HA LEU A 44 64.094 42.459 56.462 1.00 17.35 H new ATOM 0 HB2 LEU A 44 63.524 41.993 53.730 1.00 18.32 H new ATOM 0 HB3 LEU A 44 63.954 40.827 54.674 1.00 18.32 H new ATOM 0 HG LEU A 44 61.640 42.377 55.166 1.00 20.14 H new ATOM 0 HD11 LEU A 44 60.357 40.603 54.322 1.00 21.51 H new ATOM 0 HD12 LEU A 44 61.297 41.192 53.192 1.00 21.51 H new ATOM 0 HD13 LEU A 44 61.686 39.841 53.921 1.00 21.51 H new ATOM 0 HD21 LEU A 44 61.021 40.716 56.694 1.00 20.36 H new ATOM 0 HD22 LEU A 44 62.375 39.949 56.403 1.00 20.36 H new ATOM 0 HD23 LEU A 44 62.405 41.366 57.109 1.00 20.36 H new ATOM 364 N LEU A 45 66.321 43.425 54.452 1.00 17.65 N ANISOU 364 N LEU A 45 2693 2218 1794 -72 285 111 N ATOM 365 CA LEU A 45 67.770 43.452 54.280 1.00 18.79 C ANISOU 365 CA LEU A 45 2890 2447 1802 -83 375 98 C ATOM 366 C LEU A 45 68.505 43.855 55.579 1.00 19.14 C ANISOU 366 C LEU A 45 2825 2524 1925 -43 391 69 C ATOM 367 O LEU A 45 69.626 43.429 55.814 1.00 19.82 O ANISOU 367 O LEU A 45 2845 2689 1997 -1 247 127 O ATOM 368 CB LEU A 45 68.158 44.427 53.183 1.00 19.07 C ANISOU 368 CB LEU A 45 3064 2413 1768 -64 479 85 C ATOM 369 CG LEU A 45 67.750 44.020 51.775 1.00 19.84 C ANISOU 369 CG LEU A 45 3299 2473 1766 -118 647 49 C ATOM 370 CD1 LEU A 45 68.103 45.130 50.818 1.00 20.88 C ANISOU 370 CD1 LEU A 45 3670 2568 1694 -161 698 146 C ATOM 371 CD2 LEU A 45 68.422 42.716 51.367 1.00 21.94 C ANISOU 371 CD2 LEU A 45 3591 2952 1795 129 720 -51 C ATOM 0 H LEU A 45 65.889 43.998 53.979 1.00 17.65 H new ATOM 0 HA LEU A 45 68.037 42.551 54.040 1.00 18.79 H new ATOM 0 HB2 LEU A 45 67.761 45.289 53.382 1.00 19.07 H new ATOM 0 HB3 LEU A 45 69.120 44.547 53.203 1.00 19.07 H new ATOM 0 HG LEU A 45 66.792 43.870 51.752 1.00 19.84 H new ATOM 0 HD11 LEU A 45 67.845 44.876 49.918 1.00 20.88 H new ATOM 0 HD12 LEU A 45 67.632 45.939 51.073 1.00 20.88 H new ATOM 0 HD13 LEU A 45 69.059 45.290 50.847 1.00 20.88 H new ATOM 0 HD21 LEU A 45 68.147 42.478 50.468 1.00 21.94 H new ATOM 0 HD22 LEU A 45 69.385 42.827 51.391 1.00 21.94 H new ATOM 0 HD23 LEU A 45 68.162 42.012 51.981 1.00 21.94 H new ATOM 372 N ILE A 46 67.866 44.702 56.366 1.00 18.01 N ANISOU 372 N ILE A 46 2623 2234 1985 -46 449 36 N ATOM 373 CA ILE A 46 68.390 45.201 57.647 1.00 18.40 C ANISOU 373 CA ILE A 46 2585 2293 2113 99 369 41 C ATOM 374 C ILE A 46 68.045 44.218 58.764 1.00 17.19 C ANISOU 374 C ILE A 46 2302 2236 1994 85 380 0 C ATOM 375 O ILE A 46 68.842 43.991 59.676 1.00 16.70 O ANISOU 375 O ILE A 46 2182 2107 2057 -36 421 19 O ATOM 376 CB ILE A 46 67.753 46.597 57.958 1.00 20.23 C ANISOU 376 CB ILE A 46 2960 2322 2406 12 357 18 C ATOM 377 CG1 ILE A 46 68.200 47.598 56.897 1.00 22.40 C ANISOU 377 CG1 ILE A 46 3405 2483 2622 -186 296 48 C ATOM 378 CG2 ILE A 46 68.120 47.121 59.343 1.00 21.17 C ANISOU 378 CG2 ILE A 46 3259 2386 2399 -281 517 -141 C ATOM 379 CD1 ILE A 46 67.422 48.916 56.925 1.00 23.52 C ANISOU 379 CD1 ILE A 46 3420 2717 2799 -26 385 -139 C ATOM 0 H ILE A 46 67.090 45.018 56.172 1.00 18.01 H new ATOM 0 HA ILE A 46 69.354 45.290 57.589 1.00 18.40 H new ATOM 0 HB ILE A 46 66.789 46.486 57.944 1.00 20.23 H new ATOM 0 HG12 ILE A 46 69.144 47.786 57.019 1.00 22.40 H new ATOM 0 HG13 ILE A 46 68.103 47.193 56.021 1.00 22.40 H new ATOM 0 HG21 ILE A 46 67.701 47.985 59.484 1.00 21.17 H new ATOM 0 HG22 ILE A 46 67.809 46.497 60.018 1.00 21.17 H new ATOM 0 HG23 ILE A 46 69.083 47.215 59.409 1.00 21.17 H new ATOM 0 HD11 ILE A 46 67.755 49.503 56.229 1.00 23.52 H new ATOM 0 HD12 ILE A 46 66.480 48.739 56.775 1.00 23.52 H new ATOM 0 HD13 ILE A 46 67.537 49.342 57.789 1.00 23.52 H new ATOM 380 N SER A 47 66.835 43.658 58.693 1.00 16.25 N ANISOU 380 N SER A 47 2129 2082 1962 89 369 -51 N ATOM 381 CA SER A 47 66.294 42.820 59.748 1.00 15.42 C ANISOU 381 CA SER A 47 2018 1909 1930 182 344 9 C ATOM 382 C SER A 47 65.624 41.594 59.128 1.00 14.61 C ANISOU 382 C SER A 47 1935 1828 1787 72 349 86 C ATOM 383 O SER A 47 64.412 41.567 58.938 1.00 14.59 O ANISOU 383 O SER A 47 1986 1918 1639 152 386 188 O ATOM 384 CB SER A 47 65.294 43.619 60.613 1.00 16.82 C ANISOU 384 CB SER A 47 2184 2175 2030 352 361 5 C ATOM 385 OG SER A 47 64.883 42.849 61.729 1.00 18.00 O ANISOU 385 OG SER A 47 2121 2581 2137 290 363 -54 O ATOM 0 H SER A 47 66.306 43.759 58.023 1.00 16.25 H new ATOM 0 HA SER A 47 67.015 42.525 60.326 1.00 15.42 H new ATOM 0 HB2 SER A 47 65.705 44.444 60.915 1.00 16.82 H new ATOM 0 HB3 SER A 47 64.522 43.866 60.081 1.00 16.82 H new ATOM 0 HG SER A 47 64.221 43.216 62.094 1.00 18.00 H new ATOM 386 N PRO A 48 66.428 40.561 58.779 1.00 15.12 N ANISOU 386 N PRO A 48 2044 1829 1873 27 326 47 N ATOM 387 CA PRO A 48 65.857 39.430 58.070 1.00 15.80 C ANISOU 387 CA PRO A 48 2252 1852 1898 88 331 -51 C ATOM 388 C PRO A 48 64.897 38.593 58.933 1.00 15.25 C ANISOU 388 C PRO A 48 2120 1798 1875 117 199 -44 C ATOM 389 O PRO A 48 64.202 37.765 58.382 1.00 16.37 O ANISOU 389 O PRO A 48 2370 1934 1916 -50 126 -85 O ATOM 390 CB PRO A 48 67.090 38.609 57.653 1.00 17.32 C ANISOU 390 CB PRO A 48 2447 2193 1940 -25 452 -99 C ATOM 391 CG PRO A 48 68.214 39.103 58.503 1.00 16.96 C ANISOU 391 CG PRO A 48 2445 2020 1980 108 423 -39 C ATOM 392 CD PRO A 48 67.893 40.546 58.742 1.00 15.79 C ANISOU 392 CD PRO A 48 2138 1939 1923 259 335 64 C ATOM 0 HA PRO A 48 65.309 39.717 57.323 1.00 15.80 H new ATOM 0 HB2 PRO A 48 66.940 37.661 57.791 1.00 17.32 H new ATOM 0 HB3 PRO A 48 67.287 38.730 56.711 1.00 17.32 H new ATOM 0 HG2 PRO A 48 68.270 38.610 59.337 1.00 16.96 H new ATOM 0 HG3 PRO A 48 69.068 39.000 58.055 1.00 16.96 H new ATOM 0 HD2 PRO A 48 68.276 40.865 59.574 1.00 15.79 H new ATOM 0 HD3 PRO A 48 68.239 41.112 58.035 1.00 15.79 H new ATOM 393 N ASN A 49 64.845 38.837 60.253 1.00 13.62 N ANISOU 393 N ASN A 49 1889 1501 1784 261 190 26 N ATOM 394 CA ASN A 49 63.893 38.150 61.130 1.00 14.03 C ANISOU 394 CA ASN A 49 1910 1649 1773 108 148 72 C ATOM 395 C ASN A 49 62.539 38.899 61.201 1.00 14.59 C ANISOU 395 C ASN A 49 1792 1971 1780 -5 124 158 C ATOM 396 O ASN A 49 61.639 38.538 61.974 1.00 14.33 O ANISOU 396 O ASN A 49 1787 1884 1773 48 65 230 O ATOM 397 CB ASN A 49 64.506 38.012 62.531 1.00 13.81 C ANISOU 397 CB ASN A 49 1793 1642 1813 112 92 41 C ATOM 398 CG ASN A 49 63.692 37.129 63.447 1.00 14.23 C ANISOU 398 CG ASN A 49 1899 1658 1850 35 45 79 C ATOM 399 OD1 ASN A 49 63.280 36.028 63.056 1.00 14.94 O ANISOU 399 OD1 ASN A 49 2112 1749 1815 -111 -129 3 O ATOM 400 ND2 ASN A 49 63.447 37.596 64.691 1.00 13.93 N ANISOU 400 ND2 ASN A 49 1736 1664 1893 -115 217 152 N ATOM 0 H ASN A 49 65.356 39.399 60.656 1.00 13.62 H new ATOM 0 HA ASN A 49 63.715 37.270 60.763 1.00 14.03 H new ATOM 0 HB2 ASN A 49 65.402 37.649 62.452 1.00 13.81 H new ATOM 0 HB3 ASN A 49 64.591 38.892 62.930 1.00 13.81 H new ATOM 0 HD21 ASN A 49 62.989 37.124 65.245 1.00 13.93 H new ATOM 0 HD22 ASN A 49 63.749 38.365 64.929 1.00 13.93 H new ATOM 401 N ASN A 50 62.397 39.925 60.355 1.00 14.20 N ANISOU 401 N ASN A 50 1778 1803 1815 -24 107 94 N ATOM 402 CA ASN A 50 61.154 40.709 60.215 1.00 14.93 C ANISOU 402 CA ASN A 50 1773 2022 1877 12 1 30 C ATOM 403 C ASN A 50 60.664 41.293 61.539 1.00 15.59 C ANISOU 403 C ASN A 50 1635 2375 1912 11 26 74 C ATOM 404 O ASN A 50 59.488 41.363 61.796 1.00 15.54 O ANISOU 404 O ASN A 50 1520 2477 1909 -24 10 108 O ATOM 405 CB ASN A 50 60.019 39.939 59.463 1.00 15.49 C ANISOU 405 CB ASN A 50 1818 2133 1936 -103 -103 12 C ATOM 406 CG ASN A 50 59.430 38.732 60.237 1.00 17.03 C ANISOU 406 CG ASN A 50 2116 2345 2008 -99 -149 103 C ATOM 407 OD1 ASN A 50 59.664 37.576 59.858 1.00 17.75 O ANISOU 407 OD1 ASN A 50 2301 2463 1979 -208 -221 45 O ATOM 408 ND2 ASN A 50 58.612 39.000 61.276 1.00 16.77 N ANISOU 408 ND2 ASN A 50 1795 2518 2057 59 -129 240 N ATOM 0 H ASN A 50 63.029 40.192 59.836 1.00 14.20 H new ATOM 0 HA ASN A 50 61.394 41.461 59.651 1.00 14.93 H new ATOM 0 HB2 ASN A 50 59.301 40.560 59.263 1.00 15.49 H new ATOM 0 HB3 ASN A 50 60.367 39.624 58.614 1.00 15.49 H new ATOM 0 HD21 ASN A 50 58.232 38.356 61.701 1.00 16.77 H new ATOM 0 HD22 ASN A 50 58.471 39.815 61.513 1.00 16.77 H new ATOM 409 N LYS A 51 61.600 41.778 62.344 1.00 15.01 N ANISOU 409 N LYS A 51 1631 2137 1934 69 52 67 N ATOM 410 CA LYS A 51 61.247 42.365 63.617 1.00 15.30 C ANISOU 410 CA LYS A 51 1750 2069 1995 -11 51 90 C ATOM 411 C LYS A 51 62.014 43.658 63.897 1.00 14.10 C ANISOU 411 C LYS A 51 1589 1884 1886 159 78 160 C ATOM 412 O LYS A 51 63.095 43.885 63.356 1.00 13.64 O ANISOU 412 O LYS A 51 1486 1826 1872 351 194 162 O ATOM 413 CB LYS A 51 61.471 41.346 64.755 1.00 16.39 C ANISOU 413 CB LYS A 51 1861 2175 2193 -47 114 54 C ATOM 414 CG LYS A 51 60.433 40.188 64.711 1.00 18.64 C ANISOU 414 CG LYS A 51 2286 2309 2487 -194 227 86 C ATOM 415 CD LYS A 51 60.586 39.246 65.886 1.00 22.63 C ANISOU 415 CD LYS A 51 2734 2747 3119 -136 137 -158 C ATOM 416 CE LYS A 51 59.684 38.000 65.770 1.00 27.93 C ANISOU 416 CE LYS A 51 2880 3553 4179 -517 -120 -575 C ATOM 417 NZ LYS A 51 58.252 38.315 66.109 1.00 34.80 N ANISOU 417 NZ LYS A 51 3696 4549 4978 -975 -394 -212 N ATOM 0 H LYS A 51 62.442 41.775 62.168 1.00 15.01 H new ATOM 0 HA LYS A 51 60.306 42.598 63.575 1.00 15.30 H new ATOM 0 HB2 LYS A 51 62.367 40.979 64.689 1.00 16.39 H new ATOM 0 HB3 LYS A 51 61.413 41.799 65.611 1.00 16.39 H new ATOM 0 HG2 LYS A 51 59.536 40.558 64.709 1.00 18.64 H new ATOM 0 HG3 LYS A 51 60.537 39.692 63.884 1.00 18.64 H new ATOM 0 HD2 LYS A 51 61.512 38.965 65.953 1.00 22.63 H new ATOM 0 HD3 LYS A 51 60.374 39.720 66.705 1.00 22.63 H new ATOM 0 HE2 LYS A 51 59.733 37.648 64.868 1.00 27.93 H new ATOM 0 HE3 LYS A 51 60.012 37.306 66.363 1.00 27.93 H new ATOM 0 HZ1 LYS A 51 57.779 37.561 66.132 1.00 34.80 H new ATOM 0 HZ2 LYS A 51 58.215 38.712 66.905 1.00 34.80 H new ATOM 0 HZ3 LYS A 51 57.913 38.859 65.491 1.00 34.80 H new ATOM 418 N ILE A 52 61.424 44.496 64.756 1.00 13.91 N ANISOU 418 N ILE A 52 1545 1912 1830 306 30 132 N ATOM 419 CA ILE A 52 62.129 45.615 65.359 1.00 12.84 C ANISOU 419 CA ILE A 52 1322 1749 1806 379 126 102 C ATOM 420 C ILE A 52 62.492 45.222 66.808 1.00 12.49 C ANISOU 420 C ILE A 52 1280 1713 1752 361 300 82 C ATOM 421 O ILE A 52 61.891 44.321 67.383 1.00 12.87 O ANISOU 421 O ILE A 52 1354 1792 1745 248 408 24 O ATOM 422 CB ILE A 52 61.282 46.935 65.315 1.00 13.31 C ANISOU 422 CB ILE A 52 1296 1880 1881 453 115 177 C ATOM 423 CG1 ILE A 52 59.979 46.808 66.097 1.00 14.41 C ANISOU 423 CG1 ILE A 52 1453 2145 1876 467 104 197 C ATOM 424 CG2 ILE A 52 60.989 47.302 63.838 1.00 14.59 C ANISOU 424 CG2 ILE A 52 1511 2128 1905 533 137 251 C ATOM 425 CD1 ILE A 52 60.102 47.154 67.611 1.00 14.94 C ANISOU 425 CD1 ILE A 52 1402 2373 1900 601 89 149 C ATOM 0 H ILE A 52 60.603 44.426 65.001 1.00 13.91 H new ATOM 0 HA ILE A 52 62.935 45.802 64.853 1.00 12.84 H new ATOM 0 HB ILE A 52 61.798 47.640 65.737 1.00 13.31 H new ATOM 0 HG12 ILE A 52 59.315 47.391 65.696 1.00 14.41 H new ATOM 0 HG13 ILE A 52 59.649 45.900 66.009 1.00 14.41 H new ATOM 0 HG21 ILE A 52 60.465 48.118 63.805 1.00 14.59 H new ATOM 0 HG22 ILE A 52 61.826 47.436 63.366 1.00 14.59 H new ATOM 0 HG23 ILE A 52 60.493 46.582 63.418 1.00 14.59 H new ATOM 0 HD11 ILE A 52 59.237 47.050 68.038 1.00 14.94 H new ATOM 0 HD12 ILE A 52 60.742 46.557 68.029 1.00 14.94 H new ATOM 0 HD13 ILE A 52 60.403 48.071 67.710 1.00 14.94 H new ATOM 426 N PRO A 53 63.475 45.903 67.405 1.00 12.05 N ANISOU 426 N PRO A 53 1216 1631 1732 404 311 115 N ATOM 427 CA PRO A 53 64.295 46.968 66.826 1.00 12.49 C ANISOU 427 CA PRO A 53 1347 1602 1796 370 258 110 C ATOM 428 C PRO A 53 65.366 46.453 65.876 1.00 13.42 C ANISOU 428 C PRO A 53 1636 1748 1715 293 291 102 C ATOM 429 O PRO A 53 65.777 45.292 65.953 1.00 12.72 O ANISOU 429 O PRO A 53 1521 1635 1677 275 381 108 O ATOM 430 CB PRO A 53 64.930 47.609 68.051 1.00 13.93 C ANISOU 430 CB PRO A 53 1600 1848 1843 311 192 109 C ATOM 431 CG PRO A 53 65.094 46.478 69.018 1.00 12.91 C ANISOU 431 CG PRO A 53 1389 1732 1786 223 285 99 C ATOM 432 CD PRO A 53 63.832 45.638 68.814 1.00 12.41 C ANISOU 432 CD PRO A 53 1276 1754 1686 292 348 104 C ATOM 0 HA PRO A 53 63.767 47.575 66.284 1.00 12.49 H new ATOM 0 HB2 PRO A 53 65.783 48.016 67.835 1.00 13.93 H new ATOM 0 HB3 PRO A 53 64.366 48.308 68.417 1.00 13.93 H new ATOM 0 HG2 PRO A 53 65.897 45.965 68.834 1.00 12.91 H new ATOM 0 HG3 PRO A 53 65.165 46.798 69.931 1.00 12.91 H new ATOM 0 HD2 PRO A 53 64.000 44.695 68.970 1.00 12.41 H new ATOM 0 HD3 PRO A 53 63.123 45.904 69.420 1.00 12.41 H new ATOM 433 N ALA A 54 65.797 47.334 64.980 1.00 13.96 N ANISOU 433 N ALA A 54 1860 1763 1680 320 157 128 N ATOM 434 CA ALA A 54 67.013 47.133 64.221 1.00 13.81 C ANISOU 434 CA ALA A 54 1931 1678 1640 300 114 206 C ATOM 435 C ALA A 54 67.695 48.482 64.144 1.00 14.81 C ANISOU 435 C ALA A 54 2111 1849 1669 303 127 284 C ATOM 436 O ALA A 54 67.010 49.522 64.110 1.00 14.62 O ANISOU 436 O ALA A 54 2107 1763 1686 341 193 375 O ATOM 437 CB ALA A 54 66.695 46.600 62.827 1.00 13.80 C ANISOU 437 CB ALA A 54 1952 1720 1573 292 175 211 C ATOM 0 H ALA A 54 65.387 48.067 64.798 1.00 13.96 H new ATOM 0 HA ALA A 54 67.589 46.477 64.645 1.00 13.81 H new ATOM 0 HB1 ALA A 54 67.520 46.472 62.333 1.00 13.80 H new ATOM 0 HB2 ALA A 54 66.229 45.753 62.903 1.00 13.80 H new ATOM 0 HB3 ALA A 54 66.134 47.236 62.357 1.00 13.80 H new ATOM 438 N ILE A 55 69.010 48.491 64.107 1.00 14.66 N ANISOU 438 N ILE A 55 2034 1826 1712 410 136 270 N ATOM 439 CA ILE A 55 69.740 49.743 63.846 1.00 15.20 C ANISOU 439 CA ILE A 55 2112 1882 1783 322 165 292 C ATOM 440 C ILE A 55 70.575 49.668 62.584 1.00 15.74 C ANISOU 440 C ILE A 55 2208 1990 1783 251 235 272 C ATOM 441 O ILE A 55 70.977 48.585 62.133 1.00 15.25 O ANISOU 441 O ILE A 55 1992 2039 1763 94 298 146 O ATOM 442 CB ILE A 55 70.660 50.184 65.018 1.00 15.52 C ANISOU 442 CB ILE A 55 2112 1917 1866 226 178 282 C ATOM 443 CG1 ILE A 55 71.767 49.154 65.270 1.00 15.12 C ANISOU 443 CG1 ILE A 55 2033 1860 1851 122 192 299 C ATOM 444 CG2 ILE A 55 69.858 50.423 66.295 1.00 15.88 C ANISOU 444 CG2 ILE A 55 2181 1932 1919 164 185 251 C ATOM 445 CD1 ILE A 55 72.910 49.670 66.139 1.00 15.44 C ANISOU 445 CD1 ILE A 55 2126 1909 1830 224 172 375 C ATOM 0 H ILE A 55 69.506 47.799 64.227 1.00 14.66 H new ATOM 0 HA ILE A 55 69.041 50.408 63.740 1.00 15.20 H new ATOM 0 HB ILE A 55 71.074 51.022 64.759 1.00 15.52 H new ATOM 0 HG12 ILE A 55 71.378 48.373 65.694 1.00 15.12 H new ATOM 0 HG13 ILE A 55 72.127 48.865 64.417 1.00 15.12 H new ATOM 0 HG21 ILE A 55 70.457 50.696 67.007 1.00 15.88 H new ATOM 0 HG22 ILE A 55 69.202 51.120 66.140 1.00 15.88 H new ATOM 0 HG23 ILE A 55 69.405 49.604 66.551 1.00 15.88 H new ATOM 0 HD11 ILE A 55 73.570 48.969 66.256 1.00 15.44 H new ATOM 0 HD12 ILE A 55 73.324 50.435 65.709 1.00 15.44 H new ATOM 0 HD13 ILE A 55 72.564 49.935 67.006 1.00 15.44 H new ATOM 446 N VAL A 56 70.882 50.846 62.058 1.00 16.80 N ANISOU 446 N VAL A 56 2425 2088 1870 349 256 343 N ATOM 447 CA VAL A 56 71.926 51.008 61.074 1.00 17.48 C ANISOU 447 CA VAL A 56 2521 2162 1958 95 246 373 C ATOM 448 C VAL A 56 72.880 52.033 61.645 1.00 18.08 C ANISOU 448 C VAL A 56 2595 2139 2135 -75 241 373 C ATOM 449 O VAL A 56 72.478 53.149 61.930 1.00 18.33 O ANISOU 449 O VAL A 56 2528 2131 2307 -28 117 415 O ATOM 450 CB VAL A 56 71.378 51.473 59.743 1.00 18.03 C ANISOU 450 CB VAL A 56 2683 2271 1896 176 284 466 C ATOM 451 CG1 VAL A 56 72.510 51.777 58.778 1.00 19.78 C ANISOU 451 CG1 VAL A 56 3108 2549 1858 -58 376 589 C ATOM 452 CG2 VAL A 56 70.493 50.390 59.159 1.00 16.94 C ANISOU 452 CG2 VAL A 56 2474 2088 1873 318 280 434 C ATOM 0 H VAL A 56 70.483 51.578 62.268 1.00 16.80 H new ATOM 0 HA VAL A 56 72.367 50.162 60.900 1.00 17.48 H new ATOM 0 HB VAL A 56 70.862 52.282 59.882 1.00 18.03 H new ATOM 0 HG11 VAL A 56 72.142 52.073 57.931 1.00 19.78 H new ATOM 0 HG12 VAL A 56 73.072 52.475 59.148 1.00 19.78 H new ATOM 0 HG13 VAL A 56 73.040 50.977 58.638 1.00 19.78 H new ATOM 0 HG21 VAL A 56 70.140 50.686 58.305 1.00 16.94 H new ATOM 0 HG22 VAL A 56 71.013 49.581 59.031 1.00 16.94 H new ATOM 0 HG23 VAL A 56 69.759 50.209 59.767 1.00 16.94 H new ATOM 453 N ASP A 57 74.121 51.610 61.865 1.00 17.69 N ANISOU 453 N ASP A 57 2549 2023 2148 -74 348 412 N ATOM 454 CA ASP A 57 75.170 52.486 62.381 1.00 18.84 C ANISOU 454 CA ASP A 57 2666 2252 2241 -161 344 467 C ATOM 455 C ASP A 57 75.950 53.056 61.212 1.00 19.85 C ANISOU 455 C ASP A 57 2727 2498 2318 -371 329 542 C ATOM 456 O ASP A 57 76.655 52.327 60.508 1.00 20.10 O ANISOU 456 O ASP A 57 2681 2617 2338 -254 341 505 O ATOM 457 CB ASP A 57 76.091 51.720 63.302 1.00 18.76 C ANISOU 457 CB ASP A 57 2390 2429 2308 -104 327 482 C ATOM 458 CG ASP A 57 77.154 52.605 63.961 1.00 20.01 C ANISOU 458 CG ASP A 57 2675 2529 2397 -201 232 371 C ATOM 459 OD1 ASP A 57 77.252 53.794 63.641 1.00 20.04 O ANISOU 459 OD1 ASP A 57 2751 2418 2447 -370 206 368 O ATOM 460 OD2 ASP A 57 77.915 52.063 64.796 1.00 21.92 O ANISOU 460 OD2 ASP A 57 2691 3142 2497 -257 94 267 O ATOM 0 H ASP A 57 74.380 50.803 61.719 1.00 17.69 H new ATOM 0 HA ASP A 57 74.769 53.208 62.890 1.00 18.84 H new ATOM 0 HB2 ASP A 57 75.564 51.289 63.992 1.00 18.76 H new ATOM 0 HB3 ASP A 57 76.530 51.016 62.799 1.00 18.76 H new ATOM 461 N HIS A 58 75.812 54.355 61.006 1.00 21.18 N ANISOU 461 N HIS A 58 2904 2622 2522 -135 298 792 N ATOM 462 CA HIS A 58 76.495 55.035 59.908 1.00 23.38 C ANISOU 462 CA HIS A 58 3346 2849 2690 -320 284 968 C ATOM 463 C HIS A 58 77.919 55.458 60.247 1.00 24.43 C ANISOU 463 C HIS A 58 3471 3029 2782 -565 394 914 C ATOM 464 O HIS A 58 78.615 55.976 59.378 1.00 24.73 O ANISOU 464 O HIS A 58 3617 3093 2685 -494 352 981 O ATOM 465 CB HIS A 58 75.694 56.264 59.471 1.00 24.85 C ANISOU 465 CB HIS A 58 3682 2944 2817 -204 163 1003 C ATOM 466 CG HIS A 58 74.381 55.920 58.859 1.00 25.48 C ANISOU 466 CG HIS A 58 3782 3028 2873 -90 219 846 C ATOM 467 ND1 HIS A 58 74.260 55.542 57.540 1.00 27.29 N ANISOU 467 ND1 HIS A 58 3939 3528 2902 -231 249 594 N ATOM 468 CD2 HIS A 58 73.137 55.870 59.383 1.00 26.93 C ANISOU 468 CD2 HIS A 58 3977 3378 2879 -188 274 783 C ATOM 469 CE1 HIS A 58 72.992 55.280 57.279 1.00 30.20 C ANISOU 469 CE1 HIS A 58 4347 4219 2907 -101 191 393 C ATOM 470 NE2 HIS A 58 72.290 55.471 58.380 1.00 28.87 N ANISOU 470 NE2 HIS A 58 4213 3840 2916 -171 247 529 N ATOM 0 H HIS A 58 75.324 54.869 61.493 1.00 21.18 H new ATOM 0 HA HIS A 58 76.554 54.390 59.186 1.00 23.38 H new ATOM 0 HB2 HIS A 58 75.546 56.837 60.240 1.00 24.85 H new ATOM 0 HB3 HIS A 58 76.218 56.774 58.834 1.00 24.85 H new ATOM 0 HD2 HIS A 58 72.899 56.069 60.260 1.00 26.93 H new ATOM 0 HE1 HIS A 58 72.651 55.007 56.458 1.00 30.20 H new ATOM 0 HE2 HIS A 58 71.440 55.363 58.456 1.00 28.87 H new ATOM 471 N SER A 59 78.365 55.260 61.487 1.00 25.14 N ANISOU 471 N SER A 59 3560 2918 3075 -614 437 762 N ATOM 472 CA SER A 59 79.763 55.530 61.805 1.00 29.40 C ANISOU 472 CA SER A 59 3822 3769 3579 -495 354 594 C ATOM 473 C SER A 59 80.347 54.365 62.595 1.00 27.13 C ANISOU 473 C SER A 59 3613 3521 3173 -646 434 672 C ATOM 474 O SER A 59 80.724 54.510 63.751 1.00 24.74 O ANISOU 474 O SER A 59 3117 3220 3062 -1018 337 607 O ATOM 475 CB SER A 59 79.912 56.853 62.552 1.00 36.54 C ANISOU 475 CB SER A 59 4716 4594 4573 -814 181 274 C ATOM 476 OG SER A 59 79.312 56.725 63.827 1.00 46.36 O ANISOU 476 OG SER A 59 6022 6359 5234 -627 145 143 O ATOM 0 H SER A 59 77.887 54.977 62.143 1.00 25.14 H new ATOM 0 HA SER A 59 80.263 55.617 60.978 1.00 29.40 H new ATOM 0 HB2 SER A 59 80.850 57.084 62.643 1.00 36.54 H new ATOM 0 HB3 SER A 59 79.491 57.570 62.053 1.00 36.54 H new ATOM 0 HG SER A 59 79.751 56.179 64.290 1.00 46.36 H new ATOM 477 N PRO A 60 80.427 53.186 61.957 1.00 25.88 N ANISOU 477 N PRO A 60 3344 3369 3119 -538 525 706 N ATOM 478 CA PRO A 60 80.983 52.027 62.625 1.00 26.21 C ANISOU 478 CA PRO A 60 3187 3689 3082 -365 551 789 C ATOM 479 C PRO A 60 82.449 52.241 62.955 1.00 26.22 C ANISOU 479 C PRO A 60 3066 3730 3165 -651 477 943 C ATOM 480 O PRO A 60 83.121 53.051 62.307 1.00 26.31 O ANISOU 480 O PRO A 60 3067 3778 3150 -552 431 985 O ATOM 481 CB PRO A 60 80.801 50.901 61.598 1.00 26.41 C ANISOU 481 CB PRO A 60 3313 3637 3085 -445 638 758 C ATOM 482 CG PRO A 60 80.796 51.606 60.274 1.00 25.58 C ANISOU 482 CG PRO A 60 3270 3483 2967 -365 553 739 C ATOM 483 CD PRO A 60 80.145 52.929 60.533 1.00 24.77 C ANISOU 483 CD PRO A 60 3359 3076 2976 -561 535 727 C ATOM 0 HA PRO A 60 80.553 51.834 63.473 1.00 26.21 H new ATOM 0 HB2 PRO A 60 81.521 50.253 61.652 1.00 26.41 H new ATOM 0 HB3 PRO A 60 79.973 50.418 61.745 1.00 26.41 H new ATOM 0 HG2 PRO A 60 81.698 51.720 59.935 1.00 25.58 H new ATOM 0 HG3 PRO A 60 80.305 51.098 59.609 1.00 25.58 H new ATOM 0 HD2 PRO A 60 80.513 53.624 59.966 1.00 24.77 H new ATOM 0 HD3 PRO A 60 79.191 52.897 60.359 1.00 24.77 H new ATOM 484 N ALA A 61 82.945 51.480 63.928 1.00 27.86 N ANISOU 484 N ALA A 61 2999 4230 3355 -665 519 1005 N ATOM 485 CA ALA A 61 84.316 51.670 64.422 1.00 29.62 C ANISOU 485 CA ALA A 61 3071 4669 3513 -495 510 984 C ATOM 486 C ALA A 61 85.364 51.421 63.361 1.00 28.23 C ANISOU 486 C ALA A 61 2971 4112 3642 -647 458 1035 C ATOM 487 O ALA A 61 86.412 52.050 63.365 1.00 29.53 O ANISOU 487 O ALA A 61 3011 4353 3855 -851 401 1196 O ATOM 488 CB ALA A 61 84.579 50.759 65.624 1.00 31.27 C ANISOU 488 CB ALA A 61 3396 5003 3484 -441 574 958 C ATOM 0 H ALA A 61 82.509 50.849 64.317 1.00 27.86 H new ATOM 0 HA ALA A 61 84.387 52.601 64.687 1.00 29.62 H new ATOM 0 HB1 ALA A 61 85.486 50.894 65.940 1.00 31.27 H new ATOM 0 HB2 ALA A 61 83.954 50.972 66.335 1.00 31.27 H new ATOM 0 HB3 ALA A 61 84.464 49.833 65.360 1.00 31.27 H new ATOM 489 N ASP A 62 85.098 50.518 62.424 1.00 27.79 N ANISOU 489 N ASP A 62 2947 3971 3642 -433 574 964 N ATOM 490 CA ASP A 62 86.099 50.209 61.407 1.00 27.59 C ANISOU 490 CA ASP A 62 2793 4100 3591 -261 842 990 C ATOM 491 C ASP A 62 86.132 51.226 60.250 1.00 27.36 C ANISOU 491 C ASP A 62 2759 4236 3401 -438 996 1063 C ATOM 492 O ASP A 62 86.879 51.061 59.315 1.00 28.17 O ANISOU 492 O ASP A 62 2792 4610 3303 -467 1108 1067 O ATOM 493 CB ASP A 62 85.884 48.795 60.859 1.00 27.80 C ANISOU 493 CB ASP A 62 2947 3906 3711 -157 880 949 C ATOM 494 CG ASP A 62 84.542 48.621 60.141 1.00 29.13 C ANISOU 494 CG ASP A 62 3206 4214 3648 -83 651 838 C ATOM 495 OD1 ASP A 62 83.785 49.597 60.012 1.00 28.47 O ANISOU 495 OD1 ASP A 62 2906 4390 3521 101 433 869 O ATOM 496 OD2 ASP A 62 84.244 47.492 59.709 1.00 31.56 O ANISOU 496 OD2 ASP A 62 3676 4542 3775 -27 586 768 O ATOM 0 H ASP A 62 84.361 50.080 62.358 1.00 27.79 H new ATOM 0 HA ASP A 62 86.961 50.264 61.849 1.00 27.59 H new ATOM 0 HB2 ASP A 62 86.603 48.580 60.244 1.00 27.80 H new ATOM 0 HB3 ASP A 62 85.937 48.160 61.590 1.00 27.80 H new ATOM 497 N GLY A 63 85.316 52.272 60.328 1.00 26.83 N ANISOU 497 N GLY A 63 2950 3937 3308 -697 984 1135 N ATOM 498 CA GLY A 63 85.257 53.294 59.285 1.00 27.38 C ANISOU 498 CA GLY A 63 3262 3940 3200 -1080 1034 1111 C ATOM 499 C GLY A 63 84.661 52.848 57.959 1.00 27.64 C ANISOU 499 C GLY A 63 3296 4105 3101 -828 1050 1136 C ATOM 500 O GLY A 63 84.846 53.508 56.923 1.00 29.84 O ANISOU 500 O GLY A 63 3519 4641 3179 -1062 1100 1266 O ATOM 0 H GLY A 63 84.780 52.410 60.987 1.00 26.83 H new ATOM 0 HA2 GLY A 63 84.739 54.043 59.618 1.00 27.38 H new ATOM 0 HA3 GLY A 63 86.156 53.620 59.123 1.00 27.38 H new ATOM 501 N GLY A 64 83.938 51.746 57.969 1.00 26.28 N ANISOU 501 N GLY A 64 3108 3992 2885 -539 992 1048 N ATOM 502 CA GLY A 64 83.410 51.174 56.735 1.00 26.71 C ANISOU 502 CA GLY A 64 3334 4129 2684 -457 1009 954 C ATOM 503 C GLY A 64 81.961 51.555 56.398 1.00 25.07 C ANISOU 503 C GLY A 64 3275 3614 2638 -508 949 956 C ATOM 504 O GLY A 64 81.424 52.556 56.857 1.00 25.09 O ANISOU 504 O GLY A 64 3405 3467 2662 -232 748 1041 O ATOM 0 H GLY A 64 83.737 51.307 58.681 1.00 26.28 H new ATOM 0 HA2 GLY A 64 83.980 51.449 56.000 1.00 26.71 H new ATOM 0 HA3 GLY A 64 83.469 50.208 56.794 1.00 26.71 H new ATOM 505 N GLU A 65 81.330 50.691 55.622 1.00 25.39 N ANISOU 505 N GLU A 65 3246 3889 2513 -548 1001 900 N ATOM 506 CA GLU A 65 79.950 50.861 55.178 1.00 25.70 C ANISOU 506 CA GLU A 65 3499 3775 2492 13 938 757 C ATOM 507 C GLU A 65 78.967 50.750 56.363 1.00 23.57 C ANISOU 507 C GLU A 65 3215 3369 2372 -202 773 845 C ATOM 508 O GLU A 65 79.294 50.182 57.416 1.00 20.84 O ANISOU 508 O GLU A 65 2868 2790 2262 -269 692 881 O ATOM 509 CB GLU A 65 79.625 49.804 54.094 1.00 31.39 C ANISOU 509 CB GLU A 65 4228 4896 2801 307 1150 470 C ATOM 510 CG GLU A 65 80.450 50.006 52.818 1.00 34.77 C ANISOU 510 CG GLU A 65 4415 5502 3295 -235 1638 494 C ATOM 511 CD GLU A 65 80.378 48.844 51.816 1.00 39.30 C ANISOU 511 CD GLU A 65 5496 5529 3906 -397 1434 783 C ATOM 512 OE1 GLU A 65 79.679 47.850 52.102 1.00 42.66 O ANISOU 512 OE1 GLU A 65 5873 5690 4646 -699 915 765 O ATOM 513 OE2 GLU A 65 81.038 48.922 50.744 1.00 35.11 O ANISOU 513 OE2 GLU A 65 5451 4285 3603 119 1342 1012 O ATOM 0 H GLU A 65 81.697 49.971 55.329 1.00 25.39 H new ATOM 0 HA GLU A 65 79.849 51.748 54.799 1.00 25.70 H new ATOM 0 HB2 GLU A 65 79.794 48.917 54.449 1.00 31.39 H new ATOM 0 HB3 GLU A 65 78.681 49.847 53.876 1.00 31.39 H new ATOM 0 HG2 GLU A 65 80.149 50.816 52.377 1.00 34.77 H new ATOM 0 HG3 GLU A 65 81.377 50.146 53.066 1.00 34.77 H new ATOM 514 N PRO A 66 77.764 51.321 56.215 1.00 23.63 N ANISOU 514 N PRO A 66 3283 3294 2403 -208 672 825 N ATOM 515 CA PRO A 66 76.801 51.240 57.313 1.00 24.16 C ANISOU 515 CA PRO A 66 3477 3379 2324 -67 584 749 C ATOM 516 C PRO A 66 76.611 49.823 57.826 1.00 22.43 C ANISOU 516 C PRO A 66 3260 3110 2154 10 591 503 C ATOM 517 O PRO A 66 76.590 48.866 57.055 1.00 22.40 O ANISOU 517 O PRO A 66 3273 3048 2189 -124 550 448 O ATOM 518 CB PRO A 66 75.506 51.765 56.706 1.00 25.61 C ANISOU 518 CB PRO A 66 3691 3597 2443 -36 508 890 C ATOM 519 CG PRO A 66 75.967 52.644 55.573 1.00 25.50 C ANISOU 519 CG PRO A 66 3744 3422 2521 -89 662 884 C ATOM 520 CD PRO A 66 77.213 52.002 55.032 1.00 25.12 C ANISOU 520 CD PRO A 66 3599 3435 2510 -40 662 878 C ATOM 0 HA PRO A 66 77.102 51.746 58.084 1.00 24.16 H new ATOM 0 HB2 PRO A 66 74.943 51.042 56.388 1.00 25.61 H new ATOM 0 HB3 PRO A 66 74.986 52.265 57.355 1.00 25.61 H new ATOM 0 HG2 PRO A 66 75.285 52.712 54.886 1.00 25.50 H new ATOM 0 HG3 PRO A 66 76.147 53.545 55.884 1.00 25.50 H new ATOM 0 HD2 PRO A 66 77.015 51.378 54.316 1.00 25.12 H new ATOM 0 HD3 PRO A 66 77.831 52.659 54.674 1.00 25.12 H new ATOM 521 N LEU A 67 76.514 49.704 59.138 1.00 20.00 N ANISOU 521 N LEU A 67 2824 2694 2082 -120 579 385 N ATOM 522 CA LEU A 67 76.445 48.420 59.769 1.00 18.91 C ANISOU 522 CA LEU A 67 2532 2611 2042 -11 541 333 C ATOM 523 C LEU A 67 75.045 48.221 60.296 1.00 17.50 C ANISOU 523 C LEU A 67 2351 2466 1834 82 474 334 C ATOM 524 O LEU A 67 74.600 48.963 61.188 1.00 16.94 O ANISOU 524 O LEU A 67 2382 2249 1807 39 417 321 O ATOM 525 CB LEU A 67 77.473 48.331 60.904 1.00 19.23 C ANISOU 525 CB LEU A 67 2325 2716 2264 74 556 347 C ATOM 526 CG LEU A 67 77.764 46.968 61.539 1.00 20.69 C ANISOU 526 CG LEU A 67 2411 2959 2493 67 569 490 C ATOM 527 CD1 LEU A 67 79.112 47.063 62.258 1.00 22.06 C ANISOU 527 CD1 LEU A 67 2634 3100 2646 175 474 552 C ATOM 528 CD2 LEU A 67 76.693 46.534 62.508 1.00 21.05 C ANISOU 528 CD2 LEU A 67 2476 2979 2544 -32 646 569 C ATOM 0 H LEU A 67 76.487 50.370 59.681 1.00 20.00 H new ATOM 0 HA LEU A 67 76.652 47.722 59.128 1.00 18.91 H new ATOM 0 HB2 LEU A 67 78.312 48.682 60.567 1.00 19.23 H new ATOM 0 HB3 LEU A 67 77.180 48.927 61.611 1.00 19.23 H new ATOM 0 HG LEU A 67 77.784 46.299 60.837 1.00 20.69 H new ATOM 0 HD11 LEU A 67 79.320 46.210 62.670 1.00 22.06 H new ATOM 0 HD12 LEU A 67 79.805 47.290 61.618 1.00 22.06 H new ATOM 0 HD13 LEU A 67 79.066 47.749 62.942 1.00 22.06 H new ATOM 0 HD21 LEU A 67 76.925 45.669 62.880 1.00 21.05 H new ATOM 0 HD22 LEU A 67 76.621 47.185 63.224 1.00 21.05 H new ATOM 0 HD23 LEU A 67 75.844 46.469 62.044 1.00 21.05 H new ATOM 529 N SER A 68 74.347 47.210 59.759 1.00 16.84 N ANISOU 529 N SER A 68 2349 2258 1791 227 466 350 N ATOM 530 CA SER A 68 73.000 46.922 60.219 1.00 17.05 C ANISOU 530 CA SER A 68 2304 2331 1845 255 467 257 C ATOM 531 C SER A 68 73.017 45.830 61.280 1.00 15.49 C ANISOU 531 C SER A 68 2048 2103 1736 267 439 260 C ATOM 532 O SER A 68 73.844 44.912 61.224 1.00 14.31 O ANISOU 532 O SER A 68 1827 1893 1716 268 443 326 O ATOM 533 CB SER A 68 72.115 46.508 59.049 1.00 19.35 C ANISOU 533 CB SER A 68 2615 2668 2070 158 487 85 C ATOM 534 OG SER A 68 72.559 45.304 58.500 1.00 20.86 O ANISOU 534 OG SER A 68 2829 2876 2219 102 572 17 O ATOM 0 H SER A 68 74.638 46.692 59.137 1.00 16.84 H new ATOM 0 HA SER A 68 72.634 47.729 60.615 1.00 17.05 H new ATOM 0 HB2 SER A 68 71.197 46.414 59.349 1.00 19.35 H new ATOM 0 HB3 SER A 68 72.122 47.201 58.370 1.00 19.35 H new ATOM 0 HG SER A 68 72.602 45.376 57.664 1.00 20.86 H new ATOM 535 N LEU A 69 72.091 45.918 62.224 1.00 15.08 N ANISOU 535 N LEU A 69 2055 1948 1725 332 353 159 N ATOM 536 CA LEU A 69 72.008 44.948 63.296 1.00 15.68 C ANISOU 536 CA LEU A 69 2112 2105 1739 293 264 101 C ATOM 537 C LEU A 69 70.607 44.807 63.821 1.00 14.64 C ANISOU 537 C LEU A 69 1979 1954 1631 260 241 147 C ATOM 538 O LEU A 69 69.955 45.803 64.101 1.00 14.86 O ANISOU 538 O LEU A 69 2067 1925 1656 326 355 153 O ATOM 539 CB LEU A 69 72.938 45.413 64.421 1.00 16.78 C ANISOU 539 CB LEU A 69 2126 2253 1997 377 277 -17 C ATOM 540 CG LEU A 69 73.184 44.505 65.583 1.00 19.26 C ANISOU 540 CG LEU A 69 2460 2454 2404 213 230 53 C ATOM 541 CD1 LEU A 69 73.763 43.177 65.136 1.00 22.83 C ANISOU 541 CD1 LEU A 69 3211 2851 2612 558 321 -6 C ATOM 542 CD2 LEU A 69 74.176 45.202 66.525 1.00 19.27 C ANISOU 542 CD2 LEU A 69 2255 2661 2404 -2 54 231 C ATOM 0 H LEU A 69 71.497 46.539 62.259 1.00 15.08 H new ATOM 0 HA LEU A 69 72.273 44.079 62.957 1.00 15.68 H new ATOM 0 HB2 LEU A 69 73.798 45.618 64.023 1.00 16.78 H new ATOM 0 HB3 LEU A 69 72.581 46.245 64.770 1.00 16.78 H new ATOM 0 HG LEU A 69 72.342 44.324 66.030 1.00 19.26 H new ATOM 0 HD11 LEU A 69 73.911 42.611 65.910 1.00 22.83 H new ATOM 0 HD12 LEU A 69 73.143 42.741 64.531 1.00 22.83 H new ATOM 0 HD13 LEU A 69 74.606 43.328 64.681 1.00 22.83 H new ATOM 0 HD21 LEU A 69 74.352 44.631 67.289 1.00 19.27 H new ATOM 0 HD22 LEU A 69 75.005 45.374 66.052 1.00 19.27 H new ATOM 0 HD23 LEU A 69 73.798 46.042 66.830 1.00 19.27 H new ATOM 543 N PHE A 70 70.115 43.572 63.947 1.00 13.62 N ANISOU 543 N PHE A 70 1834 1779 1561 358 173 120 N ATOM 544 CA PHE A 70 68.848 43.330 64.648 1.00 13.90 C ANISOU 544 CA PHE A 70 1812 1963 1505 293 140 150 C ATOM 545 C PHE A 70 69.124 42.499 65.917 1.00 12.78 C ANISOU 545 C PHE A 70 1494 1928 1435 288 134 107 C ATOM 546 O PHE A 70 70.287 42.097 66.167 1.00 11.92 O ANISOU 546 O PHE A 70 1400 1740 1388 439 319 117 O ATOM 547 CB PHE A 70 67.788 42.665 63.745 1.00 14.45 C ANISOU 547 CB PHE A 70 1999 1918 1575 167 206 190 C ATOM 548 CG PHE A 70 68.122 41.251 63.349 1.00 14.86 C ANISOU 548 CG PHE A 70 1966 1992 1689 218 235 94 C ATOM 549 CD1 PHE A 70 68.961 40.980 62.277 1.00 16.99 C ANISOU 549 CD1 PHE A 70 2402 2226 1827 -41 412 1 C ATOM 550 CD2 PHE A 70 67.541 40.177 64.021 1.00 14.10 C ANISOU 550 CD2 PHE A 70 1796 1898 1663 289 134 41 C ATOM 551 CE1 PHE A 70 69.261 39.672 61.911 1.00 17.55 C ANISOU 551 CE1 PHE A 70 2422 2387 1858 398 497 38 C ATOM 552 CE2 PHE A 70 67.847 38.880 63.672 1.00 14.96 C ANISOU 552 CE2 PHE A 70 2027 1943 1715 209 185 -64 C ATOM 553 CZ PHE A 70 68.697 38.616 62.610 1.00 15.87 C ANISOU 553 CZ PHE A 70 2091 2109 1829 229 334 -27 C ATOM 0 H PHE A 70 70.495 42.865 63.637 1.00 13.62 H new ATOM 0 HA PHE A 70 68.470 44.186 64.903 1.00 13.90 H new ATOM 0 HB2 PHE A 70 66.935 42.669 64.206 1.00 14.45 H new ATOM 0 HB3 PHE A 70 67.679 43.199 62.942 1.00 14.45 H new ATOM 0 HD1 PHE A 70 69.329 41.685 61.795 1.00 16.99 H new ATOM 0 HD2 PHE A 70 66.940 40.338 64.712 1.00 14.10 H new ATOM 0 HE1 PHE A 70 69.838 39.507 61.200 1.00 17.55 H new ATOM 0 HE2 PHE A 70 67.479 38.175 64.154 1.00 14.96 H new ATOM 0 HZ PHE A 70 68.887 37.738 62.368 1.00 15.87 H new ATOM 554 N GLU A 71 68.043 42.283 66.672 1.00 12.47 N ANISOU 554 N GLU A 71 1462 1810 1467 297 77 53 N ATOM 555 CA GLU A 71 68.020 41.703 68.036 1.00 12.83 C ANISOU 555 CA GLU A 71 1513 1801 1561 333 140 50 C ATOM 556 C GLU A 71 68.416 42.745 69.077 1.00 13.90 C ANISOU 556 C GLU A 71 1627 2034 1621 347 176 17 C ATOM 557 O GLU A 71 69.579 43.153 69.142 1.00 14.56 O ANISOU 557 O GLU A 71 1735 2117 1680 229 230 -45 O ATOM 558 CB GLU A 71 68.925 40.464 68.177 1.00 13.39 C ANISOU 558 CB GLU A 71 1677 1763 1646 391 165 42 C ATOM 559 CG GLU A 71 68.358 39.232 67.490 1.00 14.33 C ANISOU 559 CG GLU A 71 1763 1951 1732 242 125 38 C ATOM 560 CD GLU A 71 67.023 38.760 68.072 1.00 14.85 C ANISOU 560 CD GLU A 71 1797 1995 1850 231 114 42 C ATOM 561 OE1 GLU A 71 66.814 38.807 69.330 1.00 14.11 O ANISOU 561 OE1 GLU A 71 1587 1925 1849 170 175 61 O ATOM 562 OE2 GLU A 71 66.173 38.335 67.270 1.00 15.78 O ANISOU 562 OE2 GLU A 71 1921 2172 1903 94 50 3 O ATOM 0 H GLU A 71 67.254 42.480 66.392 1.00 12.47 H new ATOM 0 HA GLU A 71 67.106 41.417 68.191 1.00 12.83 H new ATOM 0 HB2 GLU A 71 69.798 40.663 67.804 1.00 13.39 H new ATOM 0 HB3 GLU A 71 69.056 40.271 69.119 1.00 13.39 H new ATOM 0 HG2 GLU A 71 68.240 39.423 66.546 1.00 14.33 H new ATOM 0 HG3 GLU A 71 69.003 38.510 67.555 1.00 14.33 H new ATOM 563 N SER A 72 67.439 43.154 69.889 1.00 13.29 N ANISOU 563 N SER A 72 1477 1949 1623 221 156 34 N ATOM 564 CA SER A 72 67.662 44.179 70.894 1.00 12.77 C ANISOU 564 CA SER A 72 1449 1761 1641 210 170 8 C ATOM 565 C SER A 72 68.884 43.877 71.780 1.00 12.38 C ANISOU 565 C SER A 72 1334 1708 1661 290 183 40 C ATOM 566 O SER A 72 69.655 44.766 72.102 1.00 13.41 O ANISOU 566 O SER A 72 1711 1803 1580 170 129 63 O ATOM 567 CB SER A 72 66.402 44.351 71.763 1.00 13.25 C ANISOU 567 CB SER A 72 1641 1771 1624 400 162 -18 C ATOM 568 OG SER A 72 66.107 43.146 72.482 1.00 14.20 O ANISOU 568 OG SER A 72 1765 1981 1651 275 201 94 O ATOM 0 H SER A 72 66.637 42.845 69.869 1.00 13.29 H new ATOM 0 HA SER A 72 67.848 45.007 70.424 1.00 12.77 H new ATOM 0 HB2 SER A 72 66.533 45.081 72.388 1.00 13.25 H new ATOM 0 HB3 SER A 72 65.648 44.590 71.202 1.00 13.25 H new ATOM 0 HG SER A 72 65.517 42.712 72.071 1.00 14.20 H new ATOM 569 N GLY A 73 69.074 42.611 72.141 1.00 14.08 N ANISOU 569 N GLY A 73 1641 1963 1747 193 172 76 N ATOM 570 CA GLY A 73 70.205 42.243 72.983 1.00 14.41 C ANISOU 570 CA GLY A 73 1657 2022 1795 169 115 93 C ATOM 571 C GLY A 73 71.560 42.419 72.298 1.00 13.96 C ANISOU 571 C GLY A 73 1524 2018 1763 270 107 99 C ATOM 572 O GLY A 73 72.514 42.897 72.908 1.00 13.80 O ANISOU 572 O GLY A 73 1494 1971 1779 309 53 184 O ATOM 0 H GLY A 73 68.565 41.957 71.911 1.00 14.08 H new ATOM 0 HA2 GLY A 73 70.187 42.781 73.790 1.00 14.41 H new ATOM 0 HA3 GLY A 73 70.107 41.318 73.257 1.00 14.41 H new ATOM 573 N ALA A 74 71.631 42.071 71.009 1.00 12.29 N ANISOU 573 N ALA A 74 1256 1750 1663 210 163 123 N ATOM 574 CA ALA A 74 72.843 42.274 70.244 1.00 12.16 C ANISOU 574 CA ALA A 74 1274 1727 1620 282 191 167 C ATOM 575 C ALA A 74 73.124 43.761 70.043 1.00 11.45 C ANISOU 575 C ALA A 74 1155 1609 1588 253 214 166 C ATOM 576 O ALA A 74 74.269 44.197 70.027 1.00 12.09 O ANISOU 576 O ALA A 74 1172 1799 1621 352 157 134 O ATOM 577 CB ALA A 74 72.772 41.546 68.898 1.00 11.85 C ANISOU 577 CB ALA A 74 1249 1631 1622 352 193 162 C ATOM 0 H ALA A 74 70.984 41.717 70.568 1.00 12.29 H new ATOM 0 HA ALA A 74 73.579 41.897 70.751 1.00 12.16 H new ATOM 0 HB1 ALA A 74 73.594 41.697 68.405 1.00 11.85 H new ATOM 0 HB2 ALA A 74 72.656 40.595 69.050 1.00 11.85 H new ATOM 0 HB3 ALA A 74 72.021 41.885 68.386 1.00 11.85 H new ATOM 578 N ILE A 75 72.055 44.548 69.845 1.00 11.53 N ANISOU 578 N ILE A 75 1219 1634 1526 226 263 174 N ATOM 579 CA ILE A 75 72.174 45.971 69.679 1.00 11.83 C ANISOU 579 CA ILE A 75 1277 1674 1545 212 168 153 C ATOM 580 C ILE A 75 72.700 46.621 70.962 1.00 12.38 C ANISOU 580 C ILE A 75 1353 1702 1647 194 87 225 C ATOM 581 O ILE A 75 73.613 47.450 70.917 1.00 12.84 O ANISOU 581 O ILE A 75 1499 1665 1716 57 35 393 O ATOM 582 CB ILE A 75 70.814 46.608 69.293 1.00 12.69 C ANISOU 582 CB ILE A 75 1565 1734 1521 262 152 124 C ATOM 583 CG1 ILE A 75 70.393 46.078 67.907 1.00 13.45 C ANISOU 583 CG1 ILE A 75 1651 1906 1552 164 96 135 C ATOM 584 CG2 ILE A 75 70.935 48.102 69.267 1.00 13.71 C ANISOU 584 CG2 ILE A 75 1951 1742 1515 353 189 96 C ATOM 585 CD1 ILE A 75 68.943 46.327 67.567 1.00 14.51 C ANISOU 585 CD1 ILE A 75 1742 2197 1573 152 6 37 C ATOM 0 H ILE A 75 71.247 44.255 69.806 1.00 11.53 H new ATOM 0 HA ILE A 75 72.804 46.129 68.959 1.00 11.83 H new ATOM 0 HB ILE A 75 70.140 46.370 69.949 1.00 12.69 H new ATOM 0 HG12 ILE A 75 70.950 46.493 67.230 1.00 13.45 H new ATOM 0 HG13 ILE A 75 70.565 45.124 67.870 1.00 13.45 H new ATOM 0 HG21 ILE A 75 70.080 48.492 69.025 1.00 13.71 H new ATOM 0 HG22 ILE A 75 71.198 48.421 70.144 1.00 13.71 H new ATOM 0 HG23 ILE A 75 71.605 48.361 68.615 1.00 13.71 H new ATOM 0 HD11 ILE A 75 68.751 45.969 66.686 1.00 14.51 H new ATOM 0 HD12 ILE A 75 68.377 45.891 68.223 1.00 14.51 H new ATOM 0 HD13 ILE A 75 68.768 47.281 67.573 1.00 14.51 H new ATOM 586 N LEU A 76 72.127 46.254 72.099 1.00 12.29 N ANISOU 586 N LEU A 76 1451 1594 1623 165 80 186 N ATOM 587 CA LEU A 76 72.586 46.794 73.371 1.00 12.79 C ANISOU 587 CA LEU A 76 1404 1791 1663 183 70 248 C ATOM 588 C LEU A 76 74.055 46.461 73.592 1.00 12.41 C ANISOU 588 C LEU A 76 1342 1723 1651 46 98 237 C ATOM 589 O LEU A 76 74.853 47.306 74.011 1.00 13.01 O ANISOU 589 O LEU A 76 1549 1773 1623 78 40 153 O ATOM 590 CB LEU A 76 71.715 46.242 74.519 1.00 13.77 C ANISOU 590 CB LEU A 76 1534 1973 1724 156 64 224 C ATOM 591 CG LEU A 76 70.313 46.838 74.616 1.00 14.64 C ANISOU 591 CG LEU A 76 1678 2039 1845 217 87 157 C ATOM 592 CD1 LEU A 76 69.466 46.049 75.599 1.00 15.26 C ANISOU 592 CD1 LEU A 76 1615 2259 1923 220 44 226 C ATOM 593 CD2 LEU A 76 70.387 48.304 74.989 1.00 14.66 C ANISOU 593 CD2 LEU A 76 1869 1919 1781 213 125 61 C ATOM 0 H LEU A 76 71.475 45.697 72.157 1.00 12.29 H new ATOM 0 HA LEU A 76 72.499 47.760 73.355 1.00 12.79 H new ATOM 0 HB2 LEU A 76 71.636 45.281 74.412 1.00 13.77 H new ATOM 0 HB3 LEU A 76 72.176 46.397 75.358 1.00 13.77 H new ATOM 0 HG LEU A 76 69.885 46.777 73.748 1.00 14.64 H new ATOM 0 HD11 LEU A 76 68.580 46.440 75.649 1.00 15.26 H new ATOM 0 HD12 LEU A 76 69.397 45.129 75.301 1.00 15.26 H new ATOM 0 HD13 LEU A 76 69.880 46.074 76.476 1.00 15.26 H new ATOM 0 HD21 LEU A 76 69.490 48.669 75.047 1.00 14.66 H new ATOM 0 HD22 LEU A 76 70.830 48.398 75.847 1.00 14.66 H new ATOM 0 HD23 LEU A 76 70.888 48.785 74.312 1.00 14.66 H new ATOM 594 N LEU A 77 74.435 45.240 73.293 1.00 12.99 N ANISOU 594 N LEU A 77 1434 1869 1634 -44 171 227 N ATOM 595 CA LEU A 77 75.800 44.787 73.529 1.00 13.61 C ANISOU 595 CA LEU A 77 1402 1997 1774 62 170 236 C ATOM 596 C LEU A 77 76.760 45.525 72.584 1.00 14.26 C ANISOU 596 C LEU A 77 1388 2176 1853 151 154 262 C ATOM 597 O LEU A 77 77.799 46.034 72.981 1.00 14.82 O ANISOU 597 O LEU A 77 1523 2182 1926 231 66 223 O ATOM 598 CB LEU A 77 75.909 43.297 73.353 1.00 14.04 C ANISOU 598 CB LEU A 77 1303 2047 1983 37 151 274 C ATOM 599 CG LEU A 77 77.298 42.669 73.527 1.00 15.96 C ANISOU 599 CG LEU A 77 1524 2263 2276 92 96 340 C ATOM 600 CD1 LEU A 77 77.932 43.121 74.815 1.00 17.38 C ANISOU 600 CD1 LEU A 77 1775 2456 2374 -27 66 466 C ATOM 601 CD2 LEU A 77 77.192 41.145 73.489 1.00 17.03 C ANISOU 601 CD2 LEU A 77 1694 2340 2436 114 72 227 C ATOM 0 H LEU A 77 73.917 44.646 72.948 1.00 12.99 H new ATOM 0 HA LEU A 77 76.045 44.991 74.445 1.00 13.61 H new ATOM 0 HB2 LEU A 77 75.307 42.875 73.986 1.00 14.04 H new ATOM 0 HB3 LEU A 77 75.588 43.075 72.465 1.00 14.04 H new ATOM 0 HG LEU A 77 77.863 42.962 72.795 1.00 15.96 H new ATOM 0 HD11 LEU A 77 78.808 42.713 74.905 1.00 17.38 H new ATOM 0 HD12 LEU A 77 78.024 44.087 74.809 1.00 17.38 H new ATOM 0 HD13 LEU A 77 77.373 42.855 75.562 1.00 17.38 H new ATOM 0 HD21 LEU A 77 78.074 40.756 73.600 1.00 17.03 H new ATOM 0 HD22 LEU A 77 76.613 40.843 74.207 1.00 17.03 H new ATOM 0 HD23 LEU A 77 76.821 40.867 72.637 1.00 17.03 H new ATOM 602 N TYR A 78 76.370 45.598 71.310 1.00 13.82 N ANISOU 602 N TYR A 78 1391 2030 1829 151 211 313 N ATOM 603 CA TYR A 78 77.140 46.326 70.336 1.00 13.64 C ANISOU 603 CA TYR A 78 1349 2002 1833 121 195 304 C ATOM 604 C TYR A 78 77.365 47.775 70.727 1.00 14.04 C ANISOU 604 C TYR A 78 1431 2050 1855 -23 164 301 C ATOM 605 O TYR A 78 78.483 48.284 70.658 1.00 14.46 O ANISOU 605 O TYR A 78 1514 2104 1876 -96 186 367 O ATOM 606 CB TYR A 78 76.415 46.274 68.988 1.00 14.34 C ANISOU 606 CB TYR A 78 1580 2034 1835 30 227 291 C ATOM 607 CG TYR A 78 77.038 47.129 67.928 1.00 14.83 C ANISOU 607 CG TYR A 78 1631 2070 1933 30 305 320 C ATOM 608 CD1 TYR A 78 78.156 46.686 67.205 1.00 15.67 C ANISOU 608 CD1 TYR A 78 1713 2219 2023 146 466 313 C ATOM 609 CD2 TYR A 78 76.465 48.341 67.571 1.00 14.90 C ANISOU 609 CD2 TYR A 78 1724 1994 1944 72 286 360 C ATOM 610 CE1 TYR A 78 78.715 47.459 66.207 1.00 16.66 C ANISOU 610 CE1 TYR A 78 1949 2288 2094 79 598 255 C ATOM 611 CE2 TYR A 78 77.037 49.137 66.577 1.00 15.69 C ANISOU 611 CE2 TYR A 78 1771 2174 2016 56 290 447 C ATOM 612 CZ TYR A 78 78.127 48.674 65.870 1.00 17.31 C ANISOU 612 CZ TYR A 78 2033 2441 2103 -25 468 385 C ATOM 613 OH TYR A 78 78.682 49.477 64.902 1.00 19.21 O ANISOU 613 OH TYR A 78 2385 2756 2158 -108 516 443 O ATOM 0 H TYR A 78 75.658 45.228 71.000 1.00 13.82 H new ATOM 0 HA TYR A 78 78.012 45.905 70.281 1.00 13.64 H new ATOM 0 HB2 TYR A 78 76.393 45.355 68.678 1.00 14.34 H new ATOM 0 HB3 TYR A 78 75.494 46.552 69.115 1.00 14.34 H new ATOM 0 HD1 TYR A 78 78.527 45.856 67.402 1.00 15.67 H new ATOM 0 HD2 TYR A 78 75.690 48.627 67.999 1.00 14.90 H new ATOM 0 HE1 TYR A 78 79.479 47.170 65.763 1.00 16.66 H new ATOM 0 HE2 TYR A 78 76.684 49.977 66.392 1.00 15.69 H new ATOM 0 HH TYR A 78 78.369 50.254 64.968 1.00 19.21 H new ATOM 614 N LEU A 79 76.288 48.460 71.128 1.00 14.74 N ANISOU 614 N LEU A 79 1731 2028 1840 -72 138 245 N ATOM 615 CA LEU A 79 76.406 49.864 71.447 1.00 15.17 C ANISOU 615 CA LEU A 79 1818 2066 1879 -160 74 236 C ATOM 616 C LEU A 79 77.183 50.057 72.753 1.00 14.73 C ANISOU 616 C LEU A 79 1669 1963 1964 -188 25 232 C ATOM 617 O LEU A 79 77.926 51.019 72.898 1.00 14.22 O ANISOU 617 O LEU A 79 1489 1937 1976 -249 -16 230 O ATOM 618 CB LEU A 79 75.037 50.537 71.521 1.00 16.45 C ANISOU 618 CB LEU A 79 1962 2339 1951 -39 56 237 C ATOM 619 CG LEU A 79 74.241 50.643 70.210 1.00 16.73 C ANISOU 619 CG LEU A 79 2127 2148 2080 -26 19 311 C ATOM 620 CD1 LEU A 79 72.853 51.169 70.467 1.00 18.10 C ANISOU 620 CD1 LEU A 79 2495 2223 2158 445 -185 334 C ATOM 621 CD2 LEU A 79 74.977 51.513 69.213 1.00 16.42 C ANISOU 621 CD2 LEU A 79 2392 1787 2059 -218 122 354 C ATOM 0 H LEU A 79 75.500 48.128 71.217 1.00 14.74 H new ATOM 0 HA LEU A 79 76.902 50.291 70.731 1.00 15.17 H new ATOM 0 HB2 LEU A 79 74.497 50.051 72.164 1.00 16.45 H new ATOM 0 HB3 LEU A 79 75.160 51.433 71.873 1.00 16.45 H new ATOM 0 HG LEU A 79 74.155 49.754 69.831 1.00 16.73 H new ATOM 0 HD11 LEU A 79 72.369 51.228 69.629 1.00 18.10 H new ATOM 0 HD12 LEU A 79 72.385 50.569 71.068 1.00 18.10 H new ATOM 0 HD13 LEU A 79 72.910 52.050 70.870 1.00 18.10 H new ATOM 0 HD21 LEU A 79 74.463 51.570 68.392 1.00 16.42 H new ATOM 0 HD22 LEU A 79 75.094 52.402 69.583 1.00 16.42 H new ATOM 0 HD23 LEU A 79 75.846 51.125 69.024 1.00 16.42 H new ATOM 622 N ALA A 80 77.025 49.133 73.671 1.00 15.05 N ANISOU 622 N ALA A 80 1696 2018 2003 -130 20 221 N ATOM 623 CA ALA A 80 77.757 49.194 74.936 1.00 14.77 C ANISOU 623 CA ALA A 80 1523 2028 2061 -121 -26 283 C ATOM 624 C ALA A 80 79.243 49.018 74.688 1.00 16.50 C ANISOU 624 C ALA A 80 1622 2354 2294 -243 -70 412 C ATOM 625 O ALA A 80 80.054 49.744 75.292 1.00 16.60 O ANISOU 625 O ALA A 80 1605 2413 2290 -417 -71 404 O ATOM 626 CB ALA A 80 77.243 48.155 75.915 1.00 14.48 C ANISOU 626 CB ALA A 80 1567 1981 1955 36 -31 217 C ATOM 0 H ALA A 80 76.500 48.456 73.592 1.00 15.05 H new ATOM 0 HA ALA A 80 77.611 50.067 75.333 1.00 14.77 H new ATOM 0 HB1 ALA A 80 77.743 48.216 76.744 1.00 14.48 H new ATOM 0 HB2 ALA A 80 76.303 48.315 76.093 1.00 14.48 H new ATOM 0 HB3 ALA A 80 77.354 47.269 75.535 1.00 14.48 H new ATOM 627 N GLU A 81 79.606 48.079 73.811 1.00 19.35 N ANISOU 627 N GLU A 81 2058 2719 2577 -13 -83 476 N ATOM 628 CA GLU A 81 80.996 47.877 73.481 1.00 21.14 C ANISOU 628 CA GLU A 81 2171 3071 2789 -31 21 456 C ATOM 629 C GLU A 81 81.555 49.068 72.724 1.00 20.90 C ANISOU 629 C GLU A 81 1966 3152 2824 -203 46 474 C ATOM 630 O GLU A 81 82.690 49.504 72.967 1.00 21.17 O ANISOU 630 O GLU A 81 1940 3191 2914 -398 36 586 O ATOM 631 CB GLU A 81 81.210 46.577 72.684 1.00 23.68 C ANISOU 631 CB GLU A 81 2782 3184 3030 -134 246 420 C ATOM 632 CG GLU A 81 80.891 45.296 73.456 1.00 23.79 C ANISOU 632 CG GLU A 81 2467 3346 3226 -146 367 434 C ATOM 633 CD GLU A 81 81.419 44.022 72.787 1.00 26.58 C ANISOU 633 CD GLU A 81 3074 3635 3392 61 305 578 C ATOM 634 OE1 GLU A 81 81.383 43.906 71.528 1.00 26.23 O ANISOU 634 OE1 GLU A 81 2901 3690 3374 -58 263 660 O ATOM 635 OE2 GLU A 81 81.887 43.112 73.515 1.00 29.37 O ANISOU 635 OE2 GLU A 81 3244 4320 3595 166 241 707 O ATOM 0 H GLU A 81 79.058 47.556 73.404 1.00 19.35 H new ATOM 0 HA GLU A 81 81.480 47.792 74.317 1.00 21.14 H new ATOM 0 HB2 GLU A 81 80.658 46.606 71.887 1.00 23.68 H new ATOM 0 HB3 GLU A 81 82.133 46.541 72.389 1.00 23.68 H new ATOM 0 HG2 GLU A 81 81.268 45.363 74.347 1.00 23.79 H new ATOM 0 HG3 GLU A 81 79.929 45.222 73.560 1.00 23.79 H new ATOM 636 N LYS A 82 80.748 49.639 71.829 1.00 19.94 N ANISOU 636 N LYS A 82 1817 3018 2740 -461 152 411 N ATOM 637 CA LYS A 82 81.201 50.750 71.031 1.00 19.25 C ANISOU 637 CA LYS A 82 2015 2625 2673 -249 76 452 C ATOM 638 C LYS A 82 81.489 51.982 71.873 1.00 19.48 C ANISOU 638 C LYS A 82 2018 2780 2603 -555 -18 632 C ATOM 639 O LYS A 82 82.514 52.622 71.703 1.00 20.67 O ANISOU 639 O LYS A 82 2190 3011 2652 -733 12 851 O ATOM 640 CB LYS A 82 80.183 51.083 69.957 1.00 20.57 C ANISOU 640 CB LYS A 82 2366 2647 2801 -429 89 426 C ATOM 641 CG LYS A 82 80.653 52.202 69.037 1.00 23.60 C ANISOU 641 CG LYS A 82 2855 3229 2883 -569 209 607 C ATOM 642 CD LYS A 82 79.626 52.486 67.959 1.00 25.46 C ANISOU 642 CD LYS A 82 3220 3411 3044 -544 286 710 C ATOM 643 CE LYS A 82 80.257 53.361 66.878 1.00 24.60 C ANISOU 643 CE LYS A 82 3270 2950 3126 -497 320 643 C ATOM 644 NZ LYS A 82 79.195 54.003 66.109 1.00 24.50 N ANISOU 644 NZ LYS A 82 3081 3044 3183 -461 241 669 N ATOM 0 H LYS A 82 79.939 49.391 71.677 1.00 19.94 H new ATOM 0 HA LYS A 82 82.033 50.479 70.613 1.00 19.25 H new ATOM 0 HB2 LYS A 82 80.002 50.289 69.430 1.00 20.57 H new ATOM 0 HB3 LYS A 82 79.348 51.342 70.376 1.00 20.57 H new ATOM 0 HG2 LYS A 82 80.813 53.006 69.556 1.00 23.60 H new ATOM 0 HG3 LYS A 82 81.497 51.956 68.627 1.00 23.60 H new ATOM 0 HD2 LYS A 82 79.309 51.655 67.573 1.00 25.46 H new ATOM 0 HD3 LYS A 82 78.855 52.933 68.342 1.00 25.46 H new ATOM 0 HE2 LYS A 82 80.831 54.031 67.281 1.00 24.60 H new ATOM 0 HE3 LYS A 82 80.815 52.823 66.295 1.00 24.60 H new ATOM 0 HZ1 LYS A 82 79.538 54.359 65.369 1.00 24.50 H new ATOM 0 HZ2 LYS A 82 78.580 53.398 65.889 1.00 24.50 H new ATOM 0 HZ3 LYS A 82 78.819 54.643 66.599 1.00 24.50 H new ATOM 645 N THR A 83 80.572 52.304 72.776 1.00 18.69 N ANISOU 645 N THR A 83 2051 2404 2645 -621 -123 526 N ATOM 646 CA THR A 83 80.641 53.515 73.585 1.00 20.50 C ANISOU 646 CA THR A 83 2577 2556 2655 -614 -210 384 C ATOM 647 C THR A 83 81.424 53.357 74.879 1.00 21.25 C ANISOU 647 C THR A 83 2795 2597 2681 -715 -210 362 C ATOM 648 O THR A 83 81.856 54.340 75.449 1.00 20.67 O ANISOU 648 O THR A 83 2534 2537 2783 -999 -218 356 O ATOM 649 CB THR A 83 79.250 54.010 73.988 1.00 20.37 C ANISOU 649 CB THR A 83 2544 2504 2690 -664 -278 367 C ATOM 650 OG1 THR A 83 78.572 52.991 74.745 1.00 19.42 O ANISOU 650 OG1 THR A 83 2355 2406 2616 -466 -331 447 O ATOM 651 CG2 THR A 83 78.441 54.370 72.756 1.00 23.78 C ANISOU 651 CG2 THR A 83 3381 2816 2837 -754 -321 366 C ATOM 0 H THR A 83 79.881 51.818 72.939 1.00 18.69 H new ATOM 0 HA THR A 83 81.097 54.146 73.007 1.00 20.50 H new ATOM 0 HB THR A 83 79.345 54.804 74.537 1.00 20.37 H new ATOM 0 HG1 THR A 83 78.325 52.376 74.229 1.00 19.42 H new ATOM 0 HG21 THR A 83 77.563 54.682 73.025 1.00 23.78 H new ATOM 0 HG22 THR A 83 78.896 55.071 72.264 1.00 23.78 H new ATOM 0 HG23 THR A 83 78.347 53.587 72.191 1.00 23.78 H new ATOM 652 N GLY A 84 81.595 52.127 75.336 1.00 19.21 N ANISOU 652 N GLY A 84 2066 2578 2656 -401 -152 378 N ATOM 653 CA GLY A 84 82.203 51.893 76.640 1.00 20.29 C ANISOU 653 CA GLY A 84 2148 2920 2641 -439 -202 284 C ATOM 654 C GLY A 84 81.246 52.135 77.783 1.00 21.91 C ANISOU 654 C GLY A 84 2358 3209 2757 -530 -281 191 C ATOM 655 O GLY A 84 81.667 52.150 78.947 1.00 23.47 O ANISOU 655 O GLY A 84 2626 3383 2909 -477 -396 277 O ATOM 0 H GLY A 84 81.368 51.415 74.911 1.00 19.21 H new ATOM 0 HA2 GLY A 84 82.527 50.980 76.682 1.00 20.29 H new ATOM 0 HA3 GLY A 84 82.975 52.472 76.741 1.00 20.29 H new ATOM 656 N LEU A 85 79.957 52.304 77.478 1.00 20.54 N ANISOU 656 N LEU A 85 2286 2824 2694 -529 -184 168 N ATOM 657 CA LEU A 85 78.972 52.666 78.491 1.00 19.78 C ANISOU 657 CA LEU A 85 2385 2528 2601 -481 -146 213 C ATOM 658 C LEU A 85 77.981 51.524 78.797 1.00 18.57 C ANISOU 658 C LEU A 85 2321 2428 2305 -483 -67 132 C ATOM 659 O LEU A 85 77.581 50.775 77.899 1.00 17.47 O ANISOU 659 O LEU A 85 1975 2341 2320 -313 62 106 O ATOM 660 CB LEU A 85 78.190 53.898 78.024 1.00 21.22 C ANISOU 660 CB LEU A 85 2653 2491 2917 -563 -313 312 C ATOM 661 CG LEU A 85 79.006 55.169 77.748 1.00 23.71 C ANISOU 661 CG LEU A 85 3097 2670 3242 -648 -447 408 C ATOM 662 CD1 LEU A 85 78.094 56.260 77.192 1.00 24.51 C ANISOU 662 CD1 LEU A 85 3142 2691 3480 -595 -524 583 C ATOM 663 CD2 LEU A 85 79.701 55.668 79.003 1.00 24.56 C ANISOU 663 CD2 LEU A 85 3232 2919 3180 -646 -425 303 C ATOM 0 H LEU A 85 79.635 52.212 76.686 1.00 20.54 H new ATOM 0 HA LEU A 85 79.459 52.854 79.308 1.00 19.78 H new ATOM 0 HB2 LEU A 85 77.711 53.664 77.214 1.00 21.22 H new ATOM 0 HB3 LEU A 85 77.523 54.106 78.697 1.00 21.22 H new ATOM 0 HG LEU A 85 79.689 54.950 77.095 1.00 23.71 H new ATOM 0 HD11 LEU A 85 78.614 57.060 77.020 1.00 24.51 H new ATOM 0 HD12 LEU A 85 77.689 55.954 76.365 1.00 24.51 H new ATOM 0 HD13 LEU A 85 77.398 56.460 77.837 1.00 24.51 H new ATOM 0 HD21 LEU A 85 80.207 56.470 78.796 1.00 24.56 H new ATOM 0 HD22 LEU A 85 79.038 55.870 79.682 1.00 24.56 H new ATOM 0 HD23 LEU A 85 80.303 54.983 79.334 1.00 24.56 H new ATOM 664 N PHE A 86 77.597 51.414 80.073 1.00 16.83 N ANISOU 664 N PHE A 86 2077 2172 2145 -465 -205 111 N ATOM 665 CA PHE A 86 76.541 50.486 80.518 1.00 16.05 C ANISOU 665 CA PHE A 86 1981 2125 1993 -392 -192 178 C ATOM 666 C PHE A 86 76.873 49.011 80.337 1.00 15.85 C ANISOU 666 C PHE A 86 1857 2182 1982 -292 -148 222 C ATOM 667 O PHE A 86 75.980 48.142 80.326 1.00 15.35 O ANISOU 667 O PHE A 86 1788 2101 1943 -190 -129 188 O ATOM 668 CB PHE A 86 75.188 50.870 79.890 1.00 16.27 C ANISOU 668 CB PHE A 86 2085 2117 1979 -335 -90 202 C ATOM 669 CG PHE A 86 74.833 52.303 80.125 1.00 18.10 C ANISOU 669 CG PHE A 86 2529 2198 2149 -223 -63 73 C ATOM 670 CD1 PHE A 86 74.570 52.744 81.401 1.00 20.14 C ANISOU 670 CD1 PHE A 86 2904 2443 2306 -134 41 -39 C ATOM 671 CD2 PHE A 86 74.869 53.235 79.092 1.00 18.92 C ANISOU 671 CD2 PHE A 86 2732 2177 2279 -89 -77 32 C ATOM 672 CE1 PHE A 86 74.306 54.071 81.637 1.00 22.33 C ANISOU 672 CE1 PHE A 86 3442 2588 2453 12 149 -131 C ATOM 673 CE2 PHE A 86 74.610 54.569 79.325 1.00 21.06 C ANISOU 673 CE2 PHE A 86 3284 2305 2414 -54 -5 21 C ATOM 674 CZ PHE A 86 74.321 54.987 80.606 1.00 22.73 C ANISOU 674 CZ PHE A 86 3574 2578 2486 145 19 -81 C ATOM 0 H PHE A 86 77.942 51.877 80.710 1.00 16.83 H new ATOM 0 HA PHE A 86 76.476 50.591 81.480 1.00 16.05 H new ATOM 0 HB2 PHE A 86 75.218 50.700 78.936 1.00 16.27 H new ATOM 0 HB3 PHE A 86 74.492 50.303 80.257 1.00 16.27 H new ATOM 0 HD1 PHE A 86 74.571 52.140 82.108 1.00 20.14 H new ATOM 0 HD2 PHE A 86 75.071 52.953 78.229 1.00 18.92 H new ATOM 0 HE1 PHE A 86 74.115 54.355 82.502 1.00 22.33 H new ATOM 0 HE2 PHE A 86 74.630 55.181 78.625 1.00 21.06 H new ATOM 0 HZ PHE A 86 74.137 55.883 80.775 1.00 22.73 H new ATOM 675 N LEU A 87 78.156 48.727 80.254 1.00 16.38 N ANISOU 675 N LEU A 87 1836 2300 2087 -344 -65 313 N ATOM 676 CA LEU A 87 78.653 47.362 80.345 1.00 16.52 C ANISOU 676 CA LEU A 87 1640 2413 2222 -283 -144 268 C ATOM 677 C LEU A 87 80.078 47.406 80.833 1.00 17.33 C ANISOU 677 C LEU A 87 1725 2476 2382 -389 -216 283 C ATOM 678 O LEU A 87 80.961 47.970 80.172 1.00 17.83 O ANISOU 678 O LEU A 87 1849 2527 2398 -402 -297 288 O ATOM 679 CB LEU A 87 78.565 46.639 78.994 1.00 16.17 C ANISOU 679 CB LEU A 87 1497 2434 2211 -75 -226 258 C ATOM 680 CG LEU A 87 79.141 45.224 79.004 1.00 16.32 C ANISOU 680 CG LEU A 87 1486 2426 2290 5 -135 305 C ATOM 681 CD1 LEU A 87 78.382 44.311 79.959 1.00 16.97 C ANISOU 681 CD1 LEU A 87 1696 2416 2335 -105 -92 339 C ATOM 682 CD2 LEU A 87 79.153 44.615 77.599 1.00 17.08 C ANISOU 682 CD2 LEU A 87 1514 2706 2269 -45 29 299 C ATOM 0 H LEU A 87 78.770 49.319 80.143 1.00 16.38 H new ATOM 0 HA LEU A 87 78.102 46.863 80.968 1.00 16.52 H new ATOM 0 HB2 LEU A 87 77.635 46.597 78.721 1.00 16.17 H new ATOM 0 HB3 LEU A 87 79.034 47.164 78.326 1.00 16.17 H new ATOM 0 HG LEU A 87 80.056 45.299 79.318 1.00 16.32 H new ATOM 0 HD11 LEU A 87 78.774 43.424 79.939 1.00 16.97 H new ATOM 0 HD12 LEU A 87 78.436 44.668 80.859 1.00 16.97 H new ATOM 0 HD13 LEU A 87 77.452 44.259 79.687 1.00 16.97 H new ATOM 0 HD21 LEU A 87 79.523 43.719 77.638 1.00 17.08 H new ATOM 0 HD22 LEU A 87 78.247 44.576 77.255 1.00 17.08 H new ATOM 0 HD23 LEU A 87 79.697 45.164 77.013 1.00 17.08 H new ATOM 683 N SER A 88 80.308 46.807 81.986 1.00 19.12 N ANISOU 683 N SER A 88 1944 2828 2491 -405 -234 392 N ATOM 684 CA SER A 88 81.624 46.803 82.613 1.00 20.62 C ANISOU 684 CA SER A 88 2084 3079 2673 -228 -364 469 C ATOM 685 C SER A 88 82.634 45.994 81.792 1.00 20.67 C ANISOU 685 C SER A 88 1847 3154 2852 -254 -380 549 C ATOM 686 O SER A 88 82.268 45.038 81.113 1.00 20.27 O ANISOU 686 O SER A 88 1849 3062 2791 -286 -358 555 O ATOM 687 CB SER A 88 81.535 46.250 84.036 1.00 21.09 C ANISOU 687 CB SER A 88 2163 3098 2754 -236 -466 445 C ATOM 688 OG SER A 88 82.818 46.223 84.622 1.00 21.86 O ANISOU 688 OG SER A 88 2117 3402 2786 -459 -491 446 O ATOM 0 H SER A 88 79.705 46.388 82.433 1.00 19.12 H new ATOM 0 HA SER A 88 81.936 47.721 82.650 1.00 20.62 H new ATOM 0 HB2 SER A 88 80.939 46.800 84.568 1.00 21.09 H new ATOM 0 HB3 SER A 88 81.159 45.356 84.021 1.00 21.09 H new ATOM 0 HG SER A 88 82.748 46.052 85.441 1.00 21.86 H new ATOM 689 N HIS A 89 83.895 46.420 81.856 1.00 22.07 N ANISOU 689 N HIS A 89 1874 3327 3185 -564 -368 596 N ATOM 690 CA HIS A 89 84.998 45.634 81.313 1.00 24.95 C ANISOU 690 CA HIS A 89 2064 3774 3641 -535 -356 565 C ATOM 691 C HIS A 89 85.577 44.691 82.366 1.00 26.79 C ANISOU 691 C HIS A 89 2335 4075 3768 -418 -509 481 C ATOM 692 O HIS A 89 86.348 43.783 82.041 1.00 29.32 O ANISOU 692 O HIS A 89 2402 4715 4025 -155 -495 498 O ATOM 693 CB HIS A 89 86.087 46.562 80.762 1.00 28.75 C ANISOU 693 CB HIS A 89 2336 4355 4233 -562 -302 706 C ATOM 694 CG HIS A 89 85.620 47.403 79.611 1.00 36.09 C ANISOU 694 CG HIS A 89 3472 5240 5000 -661 -413 956 C ATOM 695 ND1 HIS A 89 86.395 48.384 79.039 1.00 39.14 N ANISOU 695 ND1 HIS A 89 3564 5870 5436 -760 -566 840 N ATOM 696 CD2 HIS A 89 84.451 47.409 78.930 1.00 37.89 C ANISOU 696 CD2 HIS A 89 3640 5543 5215 -720 -388 1060 C ATOM 697 CE1 HIS A 89 85.732 48.951 78.046 1.00 41.29 C ANISOU 697 CE1 HIS A 89 3826 6249 5612 -832 -623 677 C ATOM 698 NE2 HIS A 89 84.544 48.383 77.965 1.00 39.26 N ANISOU 698 NE2 HIS A 89 3801 5603 5512 -797 -459 836 N ATOM 0 H HIS A 89 84.132 47.166 82.212 1.00 22.07 H new ATOM 0 HA HIS A 89 84.654 45.090 80.588 1.00 24.95 H new ATOM 0 HB2 HIS A 89 86.399 47.143 81.473 1.00 28.75 H new ATOM 0 HB3 HIS A 89 86.845 46.028 80.478 1.00 28.75 H new ATOM 0 HD1 HIS A 89 87.190 48.596 79.289 1.00 39.14 H new ATOM 0 HD2 HIS A 89 83.720 46.856 79.086 1.00 37.89 H new ATOM 0 HE1 HIS A 89 86.049 49.633 77.499 1.00 41.29 H new ATOM 699 N GLU A 90 85.225 44.898 83.630 1.00 25.25 N ANISOU 699 N GLU A 90 2118 3801 3674 -455 -628 483 N ATOM 700 CA GLU A 90 85.731 44.040 84.712 1.00 26.50 C ANISOU 700 CA GLU A 90 2468 3855 3746 -491 -631 662 C ATOM 701 C GLU A 90 85.000 42.693 84.646 1.00 27.41 C ANISOU 701 C GLU A 90 2308 4097 4009 -312 -633 572 C ATOM 702 O GLU A 90 83.793 42.649 84.489 1.00 25.65 O ANISOU 702 O GLU A 90 2158 3686 3903 -196 -832 435 O ATOM 703 CB GLU A 90 85.522 44.715 86.059 1.00 28.03 C ANISOU 703 CB GLU A 90 2681 4107 3864 -366 -707 867 C ATOM 704 CG GLU A 90 86.122 43.985 87.268 1.00 32.57 C ANISOU 704 CG GLU A 90 3640 4712 4025 -456 -831 1021 C ATOM 705 CD GLU A 90 85.175 42.951 87.905 1.00 32.86 C ANISOU 705 CD GLU A 90 3320 4928 4237 -606 -953 738 C ATOM 706 OE1 GLU A 90 83.977 43.265 88.122 1.00 32.16 O ANISOU 706 OE1 GLU A 90 3000 4952 4269 -744 -1143 345 O ATOM 707 OE2 GLU A 90 85.641 41.828 88.211 1.00 32.27 O ANISOU 707 OE2 GLU A 90 3555 4265 4443 -1079 -992 776 O ATOM 0 H GLU A 90 84.697 45.526 83.888 1.00 25.25 H new ATOM 0 HA GLU A 90 86.684 43.892 84.606 1.00 26.50 H new ATOM 0 HB2 GLU A 90 85.903 45.606 86.018 1.00 28.03 H new ATOM 0 HB3 GLU A 90 84.569 44.820 86.205 1.00 28.03 H new ATOM 0 HG2 GLU A 90 86.937 43.537 86.993 1.00 32.57 H new ATOM 0 HG3 GLU A 90 86.371 44.640 87.939 1.00 32.57 H new ATOM 708 N THR A 91 85.736 41.597 84.788 1.00 29.41 N ANISOU 708 N THR A 91 2179 4405 4589 37 -425 421 N ATOM 709 CA THR A 91 85.193 40.295 84.422 1.00 33.38 C ANISOU 709 CA THR A 91 2939 4558 5185 67 -458 256 C ATOM 710 C THR A 91 83.968 39.861 85.207 1.00 27.98 C ANISOU 710 C THR A 91 2481 3788 4362 223 -553 480 C ATOM 711 O THR A 91 83.056 39.310 84.614 1.00 27.18 O ANISOU 711 O THR A 91 2381 3888 4058 124 -683 612 O ATOM 712 CB THR A 91 86.273 39.169 84.462 1.00 43.88 C ANISOU 712 CB THR A 91 4061 6070 6540 1175 -599 277 C ATOM 713 OG1 THR A 91 87.368 39.553 85.296 1.00 42.32 O ANISOU 713 OG1 THR A 91 3866 5487 6728 725 -1154 858 O ATOM 714 CG2 THR A 91 86.815 38.909 83.051 1.00 49.07 C ANISOU 714 CG2 THR A 91 4977 6271 7396 3002 26 69 C ATOM 0 H THR A 91 86.541 41.584 85.090 1.00 29.41 H new ATOM 0 HA THR A 91 84.896 40.426 83.508 1.00 33.38 H new ATOM 0 HB THR A 91 85.856 38.368 84.815 1.00 43.88 H new ATOM 0 HG1 THR A 91 87.871 40.078 84.875 1.00 42.32 H new ATOM 0 HG21 THR A 91 87.485 38.208 83.086 1.00 49.07 H new ATOM 0 HG22 THR A 91 86.088 38.633 82.471 1.00 49.07 H new ATOM 0 HG23 THR A 91 87.215 39.721 82.703 1.00 49.07 H new ATOM 715 N ARG A 92 83.941 40.108 86.516 1.00 26.57 N ANISOU 715 N ARG A 92 2177 3919 3999 112 -770 613 N ATOM 716 CA ARG A 92 82.809 39.679 87.359 1.00 29.21 C ANISOU 716 CA ARG A 92 2801 4326 3971 51 -909 713 C ATOM 717 C ARG A 92 81.544 40.448 87.029 1.00 24.35 C ANISOU 717 C ARG A 92 2393 3763 3096 -171 -792 672 C ATOM 718 O ARG A 92 80.492 39.855 86.832 1.00 23.87 O ANISOU 718 O ARG A 92 2463 3599 3009 -387 -840 583 O ATOM 719 CB ARG A 92 83.083 39.896 88.843 1.00 38.52 C ANISOU 719 CB ARG A 92 3876 5605 5156 -202 -1181 781 C ATOM 720 CG ARG A 92 84.364 39.285 89.323 1.00 43.68 C ANISOU 720 CG ARG A 92 4478 6243 5875 489 -1007 932 C ATOM 721 CD ARG A 92 84.117 37.974 89.996 1.00 43.29 C ANISOU 721 CD ARG A 92 4448 6343 5657 -310 -631 957 C ATOM 722 NE ARG A 92 85.357 37.233 90.008 1.00 39.75 N ANISOU 722 NE ARG A 92 4435 5806 4861 -429 -687 1040 N ATOM 723 CZ ARG A 92 85.461 35.993 90.412 1.00 34.73 C ANISOU 723 CZ ARG A 92 3748 5455 3992 -165 -938 1089 C ATOM 724 NH1 ARG A 92 84.385 35.354 90.851 1.00 33.34 N ANISOU 724 NH1 ARG A 92 3557 5465 3644 259 -959 1297 N ATOM 725 NH2 ARG A 92 86.638 35.400 90.366 1.00 33.54 N ANISOU 725 NH2 ARG A 92 3582 5426 3736 -338 -1065 909 N ATOM 0 H ARG A 92 84.564 40.522 86.940 1.00 26.57 H new ATOM 0 HA ARG A 92 82.695 38.734 87.174 1.00 29.21 H new ATOM 0 HB2 ARG A 92 83.103 40.849 89.023 1.00 38.52 H new ATOM 0 HB3 ARG A 92 82.347 39.526 89.356 1.00 38.52 H new ATOM 0 HG2 ARG A 92 84.966 39.158 88.573 1.00 43.68 H new ATOM 0 HG3 ARG A 92 84.803 39.891 89.940 1.00 43.68 H new ATOM 0 HD2 ARG A 92 83.797 38.113 90.901 1.00 43.29 H new ATOM 0 HD3 ARG A 92 83.430 37.476 89.526 1.00 43.29 H new ATOM 0 HE ARG A 92 86.069 37.630 89.733 1.00 39.75 H new ATOM 0 HH11 ARG A 92 83.624 35.755 90.869 1.00 33.34 H new ATOM 0 HH12 ARG A 92 84.448 34.539 91.118 1.00 33.34 H new ATOM 0 HH21 ARG A 92 87.324 35.828 90.073 1.00 33.54 H new ATOM 0 HH22 ARG A 92 86.720 34.585 90.629 1.00 33.54 H new ATOM 726 N GLU A 93 81.650 41.775 87.026 1.00 21.13 N ANISOU 726 N GLU A 93 1918 3393 2718 -276 -764 624 N ATOM 727 CA GLU A 93 80.485 42.602 86.749 1.00 20.41 C ANISOU 727 CA GLU A 93 2062 3195 2498 -257 -746 486 C ATOM 728 C GLU A 93 80.011 42.359 85.301 1.00 19.06 C ANISOU 728 C GLU A 93 1885 2990 2367 -242 -471 463 C ATOM 729 O GLU A 93 78.807 42.331 85.004 1.00 19.85 O ANISOU 729 O GLU A 93 2070 3131 2341 -360 -277 403 O ATOM 730 CB GLU A 93 80.804 44.071 86.982 1.00 22.92 C ANISOU 730 CB GLU A 93 2592 3476 2639 -189 -941 239 C ATOM 731 CG GLU A 93 79.609 44.974 86.736 1.00 23.91 C ANISOU 731 CG GLU A 93 2414 3672 2997 -143 -758 145 C ATOM 732 CD GLU A 93 79.866 46.443 87.065 1.00 27.07 C ANISOU 732 CD GLU A 93 2961 3862 3462 -405 -735 193 C ATOM 733 OE1 GLU A 93 80.897 46.758 87.679 1.00 28.66 O ANISOU 733 OE1 GLU A 93 3408 4121 3359 -268 -914 90 O ATOM 734 OE2 GLU A 93 79.036 47.304 86.685 1.00 30.60 O ANISOU 734 OE2 GLU A 93 3633 4127 3867 -221 -733 333 O ATOM 0 H GLU A 93 82.377 42.208 87.180 1.00 21.13 H new ATOM 0 HA GLU A 93 79.769 42.357 87.355 1.00 20.41 H new ATOM 0 HB2 GLU A 93 81.113 44.191 87.894 1.00 22.92 H new ATOM 0 HB3 GLU A 93 81.532 44.337 86.398 1.00 22.92 H new ATOM 0 HG2 GLU A 93 79.346 44.901 85.805 1.00 23.91 H new ATOM 0 HG3 GLU A 93 78.861 44.659 87.268 1.00 23.91 H new ATOM 735 N ARG A 94 80.962 42.204 84.400 1.00 17.78 N ANISOU 735 N ARG A 94 1668 2693 2395 -452 -498 413 N ATOM 736 CA ARG A 94 80.632 41.966 82.990 1.00 18.27 C ANISOU 736 CA ARG A 94 1738 2761 2443 -265 -409 433 C ATOM 737 C ARG A 94 79.887 40.636 82.840 1.00 17.43 C ANISOU 737 C ARG A 94 1517 2744 2362 -150 -359 435 C ATOM 738 O ARG A 94 78.850 40.577 82.215 1.00 15.86 O ANISOU 738 O ARG A 94 1268 2562 2197 -100 -221 336 O ATOM 739 CB ARG A 94 81.899 41.966 82.144 1.00 19.77 C ANISOU 739 CB ARG A 94 1799 3129 2583 -492 -331 418 C ATOM 740 CG ARG A 94 81.646 41.813 80.655 1.00 19.55 C ANISOU 740 CG ARG A 94 1614 3066 2747 -170 -319 445 C ATOM 741 CD ARG A 94 82.971 41.736 79.898 1.00 21.14 C ANISOU 741 CD ARG A 94 1845 3355 2832 -113 -222 355 C ATOM 742 NE ARG A 94 82.739 41.640 78.464 1.00 22.84 N ANISOU 742 NE ARG A 94 2436 3293 2948 208 -106 544 N ATOM 743 CZ ARG A 94 82.484 42.674 77.682 1.00 23.67 C ANISOU 743 CZ ARG A 94 2660 3350 2982 324 -113 630 C ATOM 744 NH1 ARG A 94 82.429 43.905 78.204 1.00 22.50 N ANISOU 744 NH1 ARG A 94 2436 3149 2965 247 -117 650 N ATOM 745 NH2 ARG A 94 82.290 42.477 76.370 1.00 24.34 N ANISOU 745 NH2 ARG A 94 2488 3669 3092 401 -71 657 N ATOM 0 H ARG A 94 81.804 42.231 84.573 1.00 17.78 H new ATOM 0 HA ARG A 94 80.055 42.681 82.679 1.00 18.27 H new ATOM 0 HB2 ARG A 94 82.380 42.794 82.298 1.00 19.77 H new ATOM 0 HB3 ARG A 94 82.475 41.244 82.441 1.00 19.77 H new ATOM 0 HG2 ARG A 94 81.125 41.012 80.490 1.00 19.55 H new ATOM 0 HG3 ARG A 94 81.124 42.563 80.330 1.00 19.55 H new ATOM 0 HD2 ARG A 94 83.506 42.522 80.092 1.00 21.14 H new ATOM 0 HD3 ARG A 94 83.478 40.966 80.201 1.00 21.14 H new ATOM 0 HE ARG A 94 82.770 40.860 78.103 1.00 22.84 H new ATOM 0 HH11 ARG A 94 82.559 44.021 79.046 1.00 22.50 H new ATOM 0 HH12 ARG A 94 82.263 44.580 77.697 1.00 22.50 H new ATOM 0 HH21 ARG A 94 82.332 41.682 76.044 1.00 24.34 H new ATOM 0 HH22 ARG A 94 82.124 43.145 75.855 1.00 24.34 H new ATOM 746 N ALA A 95 80.409 39.584 83.458 1.00 17.00 N ANISOU 746 N ALA A 95 1351 2636 2474 -53 -419 444 N ATOM 747 CA ALA A 95 79.724 38.293 83.437 1.00 18.26 C ANISOU 747 CA ALA A 95 1610 2721 2606 6 -402 490 C ATOM 748 C ALA A 95 78.311 38.374 84.018 1.00 17.71 C ANISOU 748 C ALA A 95 1635 2732 2361 57 -380 464 C ATOM 749 O ALA A 95 77.358 37.841 83.446 1.00 16.67 O ANISOU 749 O ALA A 95 1624 2439 2270 64 -335 501 O ATOM 750 CB ALA A 95 80.540 37.236 84.186 1.00 20.52 C ANISOU 750 CB ALA A 95 2008 2909 2878 117 -388 562 C ATOM 0 H ALA A 95 81.151 39.593 83.892 1.00 17.00 H new ATOM 0 HA ALA A 95 79.642 38.034 82.506 1.00 18.26 H new ATOM 0 HB1 ALA A 95 80.071 36.387 84.162 1.00 20.52 H new ATOM 0 HB2 ALA A 95 81.408 37.137 83.764 1.00 20.52 H new ATOM 0 HB3 ALA A 95 80.659 37.513 85.108 1.00 20.52 H new ATOM 751 N ALA A 96 78.157 39.025 85.156 1.00 17.25 N ANISOU 751 N ALA A 96 1657 2648 2249 -68 -373 404 N ATOM 752 CA ALA A 96 76.836 39.103 85.806 1.00 17.79 C ANISOU 752 CA ALA A 96 1846 2743 2169 -16 -311 412 C ATOM 753 C ALA A 96 75.878 39.903 84.934 1.00 16.66 C ANISOU 753 C ALA A 96 1758 2556 2016 67 -164 364 C ATOM 754 O ALA A 96 74.710 39.550 84.783 1.00 16.94 O ANISOU 754 O ALA A 96 1742 2704 1992 88 -40 292 O ATOM 755 CB ALA A 96 76.950 39.743 87.192 1.00 20.52 C ANISOU 755 CB ALA A 96 2408 3147 2241 22 -392 360 C ATOM 0 H ALA A 96 78.790 39.429 85.575 1.00 17.25 H new ATOM 0 HA ALA A 96 76.491 38.203 85.915 1.00 17.79 H new ATOM 0 HB1 ALA A 96 76.072 39.785 87.602 1.00 20.52 H new ATOM 0 HB2 ALA A 96 77.541 39.210 87.747 1.00 20.52 H new ATOM 0 HB3 ALA A 96 77.310 40.640 87.106 1.00 20.52 H new ATOM 756 N THR A 97 76.400 40.956 84.313 1.00 15.16 N ANISOU 756 N THR A 97 1582 2270 1910 -73 -182 276 N ATOM 757 CA THR A 97 75.580 41.805 83.453 1.00 14.34 C ANISOU 757 CA THR A 97 1338 2223 1889 -78 -172 263 C ATOM 758 C THR A 97 75.062 41.003 82.236 1.00 13.99 C ANISOU 758 C THR A 97 1303 2196 1818 2 -83 230 C ATOM 759 O THR A 97 73.878 41.062 81.892 1.00 13.72 O ANISOU 759 O THR A 97 1312 2170 1731 34 9 80 O ATOM 760 CB THR A 97 76.360 43.040 82.976 1.00 14.70 C ANISOU 760 CB THR A 97 1362 2292 1930 -107 -176 244 C ATOM 761 OG1 THR A 97 76.736 43.824 84.118 1.00 16.38 O ANISOU 761 OG1 THR A 97 1744 2466 2013 -107 -128 219 O ATOM 762 CG2 THR A 97 75.524 43.886 82.038 1.00 15.16 C ANISOU 762 CG2 THR A 97 1538 2307 1915 49 -175 215 C ATOM 0 H THR A 97 77.223 41.196 84.375 1.00 15.16 H new ATOM 0 HA THR A 97 74.823 42.110 83.977 1.00 14.34 H new ATOM 0 HB THR A 97 77.148 42.743 82.495 1.00 14.70 H new ATOM 0 HG1 THR A 97 77.390 43.463 84.503 1.00 16.38 H new ATOM 0 HG21 THR A 97 76.038 44.657 81.752 1.00 15.16 H new ATOM 0 HG22 THR A 97 75.274 43.359 81.263 1.00 15.16 H new ATOM 0 HG23 THR A 97 74.723 44.184 82.497 1.00 15.16 H new ATOM 763 N LEU A 98 75.964 40.258 81.602 1.00 13.46 N ANISOU 763 N LEU A 98 1199 2019 1895 95 -98 322 N ATOM 764 CA LEU A 98 75.616 39.457 80.448 1.00 13.68 C ANISOU 764 CA LEU A 98 1154 2075 1969 238 -78 366 C ATOM 765 C LEU A 98 74.641 38.345 80.829 1.00 13.02 C ANISOU 765 C LEU A 98 1032 2086 1828 243 -24 372 C ATOM 766 O LEU A 98 73.701 38.039 80.090 1.00 13.16 O ANISOU 766 O LEU A 98 1241 2014 1744 169 -26 322 O ATOM 767 CB LEU A 98 76.876 38.865 79.785 1.00 15.20 C ANISOU 767 CB LEU A 98 1276 2274 2225 160 -79 334 C ATOM 768 CG LEU A 98 77.826 39.939 79.206 1.00 17.72 C ANISOU 768 CG LEU A 98 1650 2605 2477 -71 -79 321 C ATOM 769 CD1 LEU A 98 79.119 39.324 78.729 1.00 19.99 C ANISOU 769 CD1 LEU A 98 1739 3176 2682 -243 -80 76 C ATOM 770 CD2 LEU A 98 77.173 40.689 78.062 1.00 19.40 C ANISOU 770 CD2 LEU A 98 2146 2757 2467 -123 -58 560 C ATOM 0 H LEU A 98 76.791 40.207 81.833 1.00 13.46 H new ATOM 0 HA LEU A 98 75.180 40.038 79.806 1.00 13.68 H new ATOM 0 HB2 LEU A 98 77.358 38.334 80.438 1.00 15.20 H new ATOM 0 HB3 LEU A 98 76.607 38.263 79.073 1.00 15.20 H new ATOM 0 HG LEU A 98 78.020 40.564 79.922 1.00 17.72 H new ATOM 0 HD11 LEU A 98 79.695 40.018 78.372 1.00 19.99 H new ATOM 0 HD12 LEU A 98 79.563 38.887 79.472 1.00 19.99 H new ATOM 0 HD13 LEU A 98 78.931 38.672 78.036 1.00 19.99 H new ATOM 0 HD21 LEU A 98 77.789 41.355 77.718 1.00 19.40 H new ATOM 0 HD22 LEU A 98 76.944 40.066 77.355 1.00 19.40 H new ATOM 0 HD23 LEU A 98 76.368 41.127 78.380 1.00 19.40 H new ATOM 771 N GLN A 99 74.868 37.736 81.985 1.00 12.53 N ANISOU 771 N GLN A 99 946 1988 1825 167 19 381 N ATOM 772 CA GLN A 99 73.952 36.725 82.501 1.00 13.48 C ANISOU 772 CA GLN A 99 1326 1983 1814 108 -77 408 C ATOM 773 C GLN A 99 72.515 37.232 82.514 1.00 13.43 C ANISOU 773 C GLN A 99 1374 2066 1664 74 -36 327 C ATOM 774 O GLN A 99 71.606 36.588 81.982 1.00 13.15 O ANISOU 774 O GLN A 99 1392 1982 1623 65 58 227 O ATOM 775 CB GLN A 99 74.397 36.321 83.916 1.00 15.41 C ANISOU 775 CB GLN A 99 1611 2298 1946 -86 -191 468 C ATOM 776 CG GLN A 99 73.587 35.256 84.615 1.00 16.10 C ANISOU 776 CG GLN A 99 1570 2475 2071 237 -120 536 C ATOM 777 CD GLN A 99 74.183 34.943 85.967 1.00 18.92 C ANISOU 777 CD GLN A 99 2227 2774 2187 218 -76 640 C ATOM 778 OE1 GLN A 99 74.893 33.962 86.126 1.00 18.58 O ANISOU 778 OE1 GLN A 99 2168 2682 2209 238 -44 648 O ATOM 779 NE2 GLN A 99 73.947 35.834 86.940 1.00 22.07 N ANISOU 779 NE2 GLN A 99 2971 3162 2252 264 -49 672 N ATOM 0 H GLN A 99 75.548 37.893 82.488 1.00 12.53 H new ATOM 0 HA GLN A 99 73.978 35.951 81.917 1.00 13.48 H new ATOM 0 HB2 GLN A 99 75.316 36.016 83.867 1.00 15.41 H new ATOM 0 HB3 GLN A 99 74.392 37.116 84.472 1.00 15.41 H new ATOM 0 HG2 GLN A 99 72.671 35.556 84.721 1.00 16.10 H new ATOM 0 HG3 GLN A 99 73.562 34.452 84.072 1.00 16.10 H new ATOM 0 HE21 GLN A 99 73.441 36.512 86.788 1.00 22.07 H new ATOM 0 HE22 GLN A 99 74.302 35.727 87.716 1.00 22.07 H new ATOM 780 N TRP A 100 72.296 38.390 83.119 1.00 12.54 N ANISOU 780 N TRP A 100 1258 1884 1624 30 -74 318 N ATOM 781 CA TRP A 100 70.949 38.918 83.239 1.00 12.35 C ANISOU 781 CA TRP A 100 1232 1859 1600 24 0 296 C ATOM 782 C TRP A 100 70.417 39.434 81.905 1.00 12.72 C ANISOU 782 C TRP A 100 1243 2001 1590 175 24 271 C ATOM 783 O TRP A 100 69.220 39.333 81.654 1.00 12.94 O ANISOU 783 O TRP A 100 1271 2091 1554 120 37 261 O ATOM 784 CB TRP A 100 70.868 39.938 84.382 1.00 12.65 C ANISOU 784 CB TRP A 100 1275 1916 1614 125 54 241 C ATOM 785 CG TRP A 100 71.018 39.265 85.717 1.00 14.59 C ANISOU 785 CG TRP A 100 1583 2284 1675 140 14 211 C ATOM 786 CD1 TRP A 100 72.096 39.298 86.537 1.00 16.50 C ANISOU 786 CD1 TRP A 100 1830 2688 1751 -56 -58 207 C ATOM 787 CD2 TRP A 100 70.076 38.374 86.335 1.00 15.73 C ANISOU 787 CD2 TRP A 100 1817 2414 1746 41 45 233 C ATOM 788 NE1 TRP A 100 71.892 38.495 87.649 1.00 17.20 N ANISOU 788 NE1 TRP A 100 1920 2827 1788 -72 6 205 N ATOM 789 CE2 TRP A 100 70.663 37.904 87.536 1.00 16.96 C ANISOU 789 CE2 TRP A 100 1956 2708 1781 -46 -8 255 C ATOM 790 CE3 TRP A 100 68.792 37.934 85.998 1.00 16.03 C ANISOU 790 CE3 TRP A 100 1914 2425 1750 109 105 273 C ATOM 791 CZ2 TRP A 100 70.000 37.043 88.404 1.00 17.51 C ANISOU 791 CZ2 TRP A 100 2098 2714 1842 -85 -42 318 C ATOM 792 CZ3 TRP A 100 68.118 37.079 86.892 1.00 17.24 C ANISOU 792 CZ3 TRP A 100 2183 2557 1810 -80 110 323 C ATOM 793 CH2 TRP A 100 68.735 36.640 88.065 1.00 17.30 C ANISOU 793 CH2 TRP A 100 2071 2620 1884 -123 42 323 C ATOM 0 H TRP A 100 72.910 38.883 83.465 1.00 12.54 H new ATOM 0 HA TRP A 100 70.352 38.193 83.479 1.00 12.35 H new ATOM 0 HB2 TRP A 100 71.563 40.606 84.273 1.00 12.65 H new ATOM 0 HB3 TRP A 100 70.018 40.404 84.345 1.00 12.65 H new ATOM 0 HD1 TRP A 100 72.867 39.792 86.376 1.00 16.50 H new ATOM 0 HE1 TRP A 100 72.444 38.387 88.299 1.00 17.20 H new ATOM 0 HE3 TRP A 100 68.392 38.200 85.202 1.00 16.03 H new ATOM 0 HZ2 TRP A 100 70.402 36.750 89.190 1.00 17.51 H new ATOM 0 HZ3 TRP A 100 67.251 36.803 86.698 1.00 17.24 H new ATOM 0 HH2 TRP A 100 68.277 36.060 88.630 1.00 17.30 H new ATOM 794 N LEU A 101 71.293 39.949 81.039 1.00 12.83 N ANISOU 794 N LEU A 101 1273 1981 1619 139 37 198 N ATOM 795 CA LEU A 101 70.869 40.362 79.705 1.00 12.21 C ANISOU 795 CA LEU A 101 1242 1751 1648 305 46 149 C ATOM 796 C LEU A 101 70.321 39.148 78.915 1.00 11.91 C ANISOU 796 C LEU A 101 1201 1725 1600 245 88 153 C ATOM 797 O LEU A 101 69.240 39.210 78.330 1.00 12.00 O ANISOU 797 O LEU A 101 1183 1752 1623 153 161 146 O ATOM 798 CB LEU A 101 72.001 41.027 78.937 1.00 13.00 C ANISOU 798 CB LEU A 101 1259 1958 1721 225 41 137 C ATOM 799 CG LEU A 101 71.748 41.379 77.460 1.00 13.86 C ANISOU 799 CG LEU A 101 1373 2106 1788 167 112 195 C ATOM 800 CD1 LEU A 101 70.633 42.398 77.331 1.00 14.81 C ANISOU 800 CD1 LEU A 101 1675 2135 1818 280 192 166 C ATOM 801 CD2 LEU A 101 73.033 41.902 76.803 1.00 14.74 C ANISOU 801 CD2 LEU A 101 1547 2237 1816 -35 151 285 C ATOM 0 H LEU A 101 72.129 40.066 81.205 1.00 12.83 H new ATOM 0 HA LEU A 101 70.161 41.017 79.810 1.00 12.21 H new ATOM 0 HB2 LEU A 101 72.239 41.844 79.403 1.00 13.00 H new ATOM 0 HB3 LEU A 101 72.774 40.442 78.977 1.00 13.00 H new ATOM 0 HG LEU A 101 71.474 40.570 77.000 1.00 13.86 H new ATOM 0 HD11 LEU A 101 70.490 42.605 76.394 1.00 14.81 H new ATOM 0 HD12 LEU A 101 69.817 42.035 77.709 1.00 14.81 H new ATOM 0 HD13 LEU A 101 70.877 43.207 77.807 1.00 14.81 H new ATOM 0 HD21 LEU A 101 72.857 42.119 75.874 1.00 14.74 H new ATOM 0 HD22 LEU A 101 73.334 42.698 77.269 1.00 14.74 H new ATOM 0 HD23 LEU A 101 73.721 41.220 76.850 1.00 14.74 H new ATOM 802 N PHE A 102 71.091 38.048 78.881 1.00 11.21 N ANISOU 802 N PHE A 102 1000 1690 1569 236 92 179 N ATOM 803 CA PHE A 102 70.626 36.876 78.190 1.00 10.98 C ANISOU 803 CA PHE A 102 1030 1551 1590 322 119 265 C ATOM 804 C PHE A 102 69.387 36.266 78.857 1.00 11.69 C ANISOU 804 C PHE A 102 1160 1708 1572 237 69 254 C ATOM 805 O PHE A 102 68.528 35.689 78.189 1.00 12.36 O ANISOU 805 O PHE A 102 1229 1869 1599 136 25 234 O ATOM 806 CB PHE A 102 71.761 35.807 78.090 1.00 11.49 C ANISOU 806 CB PHE A 102 998 1667 1702 353 160 338 C ATOM 807 CG PHE A 102 72.712 36.050 76.949 1.00 13.06 C ANISOU 807 CG PHE A 102 1278 1842 1844 231 177 319 C ATOM 808 CD1 PHE A 102 72.406 35.608 75.676 1.00 15.04 C ANISOU 808 CD1 PHE A 102 1669 2129 1915 -20 209 138 C ATOM 809 CD2 PHE A 102 73.882 36.756 77.146 1.00 13.47 C ANISOU 809 CD2 PHE A 102 1146 2112 1860 238 157 363 C ATOM 810 CE1 PHE A 102 73.259 35.850 74.612 1.00 14.16 C ANISOU 810 CE1 PHE A 102 1389 2047 1945 207 270 -21 C ATOM 811 CE2 PHE A 102 74.753 37.017 76.075 1.00 13.38 C ANISOU 811 CE2 PHE A 102 1162 2049 1873 219 197 335 C ATOM 812 CZ PHE A 102 74.449 36.538 74.816 1.00 13.44 C ANISOU 812 CZ PHE A 102 1220 1962 1925 242 308 162 C ATOM 0 H PHE A 102 71.866 37.977 79.248 1.00 11.21 H new ATOM 0 HA PHE A 102 70.372 37.156 77.297 1.00 10.98 H new ATOM 0 HB2 PHE A 102 72.260 35.796 78.922 1.00 11.49 H new ATOM 0 HB3 PHE A 102 71.361 34.929 77.988 1.00 11.49 H new ATOM 0 HD1 PHE A 102 71.615 35.141 75.531 1.00 15.04 H new ATOM 0 HD2 PHE A 102 74.096 37.062 77.998 1.00 13.47 H new ATOM 0 HE1 PHE A 102 73.035 35.552 73.760 1.00 14.16 H new ATOM 0 HE2 PHE A 102 75.530 37.509 76.213 1.00 13.38 H new ATOM 0 HZ PHE A 102 75.037 36.675 74.109 1.00 13.44 H new ATOM 813 N TRP A 103 69.291 36.366 80.176 1.00 12.04 N ANISOU 813 N TRP A 103 1171 1849 1555 141 49 239 N ATOM 814 CA TRP A 103 68.091 35.872 80.883 1.00 12.10 C ANISOU 814 CA TRP A 103 1235 1793 1570 92 46 258 C ATOM 815 C TRP A 103 66.851 36.664 80.411 1.00 12.54 C ANISOU 815 C TRP A 103 1190 1946 1627 169 100 194 C ATOM 816 O TRP A 103 65.782 36.096 80.208 1.00 12.96 O ANISOU 816 O TRP A 103 1198 1999 1729 97 158 255 O ATOM 817 CB TRP A 103 68.258 36.038 82.389 1.00 11.78 C ANISOU 817 CB TRP A 103 1209 1752 1515 -76 37 356 C ATOM 818 CG TRP A 103 67.041 35.744 83.207 1.00 12.47 C ANISOU 818 CG TRP A 103 1209 1986 1544 24 66 281 C ATOM 819 CD1 TRP A 103 66.625 34.524 83.643 1.00 13.23 C ANISOU 819 CD1 TRP A 103 1335 2098 1592 12 77 311 C ATOM 820 CD2 TRP A 103 66.072 36.696 83.687 1.00 13.20 C ANISOU 820 CD2 TRP A 103 1321 2122 1573 57 117 227 C ATOM 821 NE1 TRP A 103 65.455 34.645 84.353 1.00 13.89 N ANISOU 821 NE1 TRP A 103 1474 2172 1630 20 149 386 N ATOM 822 CE2 TRP A 103 65.103 35.968 84.418 1.00 14.20 C ANISOU 822 CE2 TRP A 103 1463 2284 1649 50 164 306 C ATOM 823 CE3 TRP A 103 65.939 38.077 83.578 1.00 13.64 C ANISOU 823 CE3 TRP A 103 1368 2212 1601 53 161 162 C ATOM 824 CZ2 TRP A 103 64.023 36.574 85.040 1.00 15.24 C ANISOU 824 CZ2 TRP A 103 1692 2401 1696 49 218 257 C ATOM 825 CZ3 TRP A 103 64.850 38.693 84.173 1.00 14.09 C ANISOU 825 CZ3 TRP A 103 1473 2267 1615 52 258 154 C ATOM 826 CH2 TRP A 103 63.899 37.941 84.905 1.00 14.84 C ANISOU 826 CH2 TRP A 103 1620 2344 1674 61 273 221 C ATOM 0 H TRP A 103 69.894 36.710 80.683 1.00 12.04 H new ATOM 0 HA TRP A 103 67.974 34.930 80.682 1.00 12.10 H new ATOM 0 HB2 TRP A 103 68.976 35.457 82.685 1.00 11.78 H new ATOM 0 HB3 TRP A 103 68.538 36.949 82.569 1.00 11.78 H new ATOM 0 HD1 TRP A 103 67.069 33.723 83.483 1.00 13.23 H new ATOM 0 HE1 TRP A 103 65.014 33.994 84.701 1.00 13.89 H new ATOM 0 HE3 TRP A 103 66.570 38.578 83.114 1.00 13.64 H new ATOM 0 HZ2 TRP A 103 63.406 36.079 85.529 1.00 15.24 H new ATOM 0 HZ3 TRP A 103 64.742 39.613 84.091 1.00 14.09 H new ATOM 0 HH2 TRP A 103 63.179 38.376 85.301 1.00 14.84 H new ATOM 827 N GLN A 104 67.011 37.963 80.218 1.00 11.93 N ANISOU 827 N GLN A 104 1084 1872 1577 226 89 165 N ATOM 828 CA GLN A 104 65.913 38.789 79.693 1.00 11.78 C ANISOU 828 CA GLN A 104 1158 1802 1514 257 106 146 C ATOM 829 C GLN A 104 65.552 38.315 78.288 1.00 11.85 C ANISOU 829 C GLN A 104 1099 1920 1482 357 127 102 C ATOM 830 O GLN A 104 64.373 38.115 77.963 1.00 12.05 O ANISOU 830 O GLN A 104 1192 1895 1491 129 222 50 O ATOM 831 CB GLN A 104 66.324 40.249 79.680 1.00 11.52 C ANISOU 831 CB GLN A 104 1125 1746 1506 328 141 107 C ATOM 832 CG GLN A 104 65.177 41.204 79.289 1.00 11.83 C ANISOU 832 CG GLN A 104 1099 1860 1535 384 139 90 C ATOM 833 CD GLN A 104 64.872 41.213 77.787 1.00 12.94 C ANISOU 833 CD GLN A 104 1236 2102 1578 334 112 80 C ATOM 834 OE1 GLN A 104 65.766 41.362 76.971 1.00 13.61 O ANISOU 834 OE1 GLN A 104 1393 2147 1630 355 157 99 O ATOM 835 NE2 GLN A 104 63.614 41.066 77.433 1.00 13.46 N ANISOU 835 NE2 GLN A 104 1386 2159 1569 358 41 32 N ATOM 0 H GLN A 104 67.739 38.392 80.381 1.00 11.93 H new ATOM 0 HA GLN A 104 65.134 38.699 80.264 1.00 11.78 H new ATOM 0 HB2 GLN A 104 66.654 40.493 80.559 1.00 11.52 H new ATOM 0 HB3 GLN A 104 67.059 40.366 79.058 1.00 11.52 H new ATOM 0 HG2 GLN A 104 64.376 40.950 79.773 1.00 11.83 H new ATOM 0 HG3 GLN A 104 65.405 42.104 79.571 1.00 11.83 H new ATOM 0 HE21 GLN A 104 63.007 40.963 78.034 1.00 13.46 H new ATOM 0 HE22 GLN A 104 63.398 41.073 76.601 1.00 13.46 H new ATOM 836 N VAL A 105 66.569 38.143 77.442 1.00 11.04 N ANISOU 836 N VAL A 105 944 1787 1464 159 82 88 N ATOM 837 CA VAL A 105 66.303 37.836 76.038 1.00 11.23 C ANISOU 837 CA VAL A 105 1074 1653 1539 265 89 60 C ATOM 838 C VAL A 105 65.645 36.485 75.887 1.00 11.87 C ANISOU 838 C VAL A 105 1192 1737 1580 218 52 78 C ATOM 839 O VAL A 105 64.762 36.318 75.051 1.00 11.20 O ANISOU 839 O VAL A 105 1001 1675 1579 199 135 85 O ATOM 840 CB VAL A 105 67.568 37.966 75.186 1.00 12.53 C ANISOU 840 CB VAL A 105 1352 1808 1599 104 91 97 C ATOM 841 CG1 VAL A 105 67.352 37.410 73.763 1.00 13.64 C ANISOU 841 CG1 VAL A 105 1569 2002 1612 166 -56 155 C ATOM 842 CG2 VAL A 105 68.019 39.431 75.143 1.00 12.82 C ANISOU 842 CG2 VAL A 105 1552 1699 1620 346 146 137 C ATOM 0 H VAL A 105 67.400 38.198 77.655 1.00 11.04 H new ATOM 0 HA VAL A 105 65.674 38.495 75.704 1.00 11.23 H new ATOM 0 HB VAL A 105 68.268 37.435 75.596 1.00 12.53 H new ATOM 0 HG11 VAL A 105 68.170 37.507 73.250 1.00 13.64 H new ATOM 0 HG12 VAL A 105 67.113 36.471 73.815 1.00 13.64 H new ATOM 0 HG13 VAL A 105 66.638 37.902 73.328 1.00 13.64 H new ATOM 0 HG21 VAL A 105 68.821 39.507 74.602 1.00 12.82 H new ATOM 0 HG22 VAL A 105 67.315 39.975 74.756 1.00 12.82 H new ATOM 0 HG23 VAL A 105 68.207 39.739 76.044 1.00 12.82 H new ATOM 843 N GLY A 106 66.090 35.507 76.683 1.00 13.14 N ANISOU 843 N GLY A 106 1435 1891 1667 119 -29 140 N ATOM 844 CA GLY A 106 65.634 34.135 76.525 1.00 13.59 C ANISOU 844 CA GLY A 106 1415 1949 1800 291 6 224 C ATOM 845 C GLY A 106 64.446 33.768 77.410 1.00 15.53 C ANISOU 845 C GLY A 106 1752 2224 1925 -28 132 172 C ATOM 846 O GLY A 106 63.790 32.763 77.162 1.00 16.65 O ANISOU 846 O GLY A 106 1903 2387 2038 -210 110 130 O ATOM 0 H GLY A 106 66.657 35.624 77.319 1.00 13.14 H new ATOM 0 HA2 GLY A 106 65.391 33.990 75.597 1.00 13.59 H new ATOM 0 HA3 GLY A 106 66.370 33.535 76.723 1.00 13.59 H new ATOM 847 N GLY A 107 64.180 34.571 78.437 1.00 14.83 N ANISOU 847 N GLY A 107 1624 2133 1878 -155 220 144 N ATOM 848 CA GLY A 107 63.151 34.238 79.413 1.00 14.36 C ANISOU 848 CA GLY A 107 1464 2210 1781 85 216 163 C ATOM 849 C GLY A 107 62.105 35.305 79.585 1.00 13.61 C ANISOU 849 C GLY A 107 1260 2215 1697 56 212 126 C ATOM 850 O GLY A 107 60.941 35.103 79.225 1.00 14.46 O ANISOU 850 O GLY A 107 1321 2492 1683 -47 161 4 O ATOM 0 H GLY A 107 64.586 35.315 78.585 1.00 14.83 H new ATOM 0 HA2 GLY A 107 62.717 33.413 79.144 1.00 14.36 H new ATOM 0 HA3 GLY A 107 63.573 34.070 80.270 1.00 14.36 H new ATOM 851 N LEU A 108 62.508 36.444 80.132 1.00 12.19 N ANISOU 851 N LEU A 108 995 2017 1619 78 244 171 N ATOM 852 CA LEU A 108 61.548 37.512 80.461 1.00 12.97 C ANISOU 852 CA LEU A 108 1177 2100 1650 199 253 155 C ATOM 853 C LEU A 108 60.744 37.991 79.233 1.00 14.30 C ANISOU 853 C LEU A 108 1270 2417 1746 188 190 144 C ATOM 854 O LEU A 108 59.506 38.052 79.248 1.00 15.47 O ANISOU 854 O LEU A 108 1359 2648 1871 16 55 198 O ATOM 855 CB LEU A 108 62.296 38.697 81.103 1.00 13.11 C ANISOU 855 CB LEU A 108 1233 2060 1690 227 269 117 C ATOM 856 CG LEU A 108 61.362 39.745 81.749 1.00 14.03 C ANISOU 856 CG LEU A 108 1243 2319 1767 272 335 11 C ATOM 857 CD1 LEU A 108 60.711 39.157 82.999 1.00 15.35 C ANISOU 857 CD1 LEU A 108 1522 2549 1762 250 391 -8 C ATOM 858 CD2 LEU A 108 62.134 41.017 82.104 1.00 14.74 C ANISOU 858 CD2 LEU A 108 1375 2405 1820 393 359 -53 C ATOM 0 H LEU A 108 63.327 36.626 80.323 1.00 12.19 H new ATOM 0 HA LEU A 108 60.906 37.143 81.088 1.00 12.97 H new ATOM 0 HB2 LEU A 108 62.904 38.358 81.778 1.00 13.11 H new ATOM 0 HB3 LEU A 108 62.838 39.132 80.426 1.00 13.11 H new ATOM 0 HG LEU A 108 60.672 39.979 81.109 1.00 14.03 H new ATOM 0 HD11 LEU A 108 60.126 39.818 83.401 1.00 15.35 H new ATOM 0 HD12 LEU A 108 60.194 38.373 82.756 1.00 15.35 H new ATOM 0 HD13 LEU A 108 61.399 38.906 83.635 1.00 15.35 H new ATOM 0 HD21 LEU A 108 61.530 41.660 82.507 1.00 14.74 H new ATOM 0 HD22 LEU A 108 62.842 40.802 82.731 1.00 14.74 H new ATOM 0 HD23 LEU A 108 62.520 41.397 81.299 1.00 14.74 H new ATOM 859 N GLY A 109 61.451 38.354 78.179 1.00 12.90 N ANISOU 859 N GLY A 109 1159 2048 1695 182 186 72 N ATOM 860 CA GLY A 109 60.794 38.846 76.975 1.00 13.62 C ANISOU 860 CA GLY A 109 1233 2215 1728 169 139 25 C ATOM 861 C GLY A 109 59.883 37.818 76.344 1.00 13.94 C ANISOU 861 C GLY A 109 1212 2246 1839 80 116 72 C ATOM 862 O GLY A 109 58.697 38.069 76.127 1.00 14.28 O ANISOU 862 O GLY A 109 1181 2305 1938 78 124 82 O ATOM 0 H GLY A 109 62.309 38.325 78.136 1.00 12.90 H new ATOM 0 HA2 GLY A 109 60.279 39.638 77.193 1.00 13.62 H new ATOM 0 HA3 GLY A 109 61.467 39.114 76.331 1.00 13.62 H new ATOM 863 N PRO A 110 60.430 36.656 75.991 1.00 13.86 N ANISOU 863 N PRO A 110 1256 2166 1845 116 111 114 N ATOM 864 CA PRO A 110 59.588 35.650 75.312 1.00 14.66 C ANISOU 864 CA PRO A 110 1406 2299 1865 94 69 121 C ATOM 865 C PRO A 110 58.372 35.211 76.130 1.00 14.67 C ANISOU 865 C PRO A 110 1360 2328 1886 25 79 147 C ATOM 866 O PRO A 110 57.292 35.076 75.569 1.00 14.94 O ANISOU 866 O PRO A 110 1241 2463 1971 25 152 98 O ATOM 867 CB PRO A 110 60.566 34.477 75.104 1.00 13.75 C ANISOU 867 CB PRO A 110 1417 1951 1857 69 43 107 C ATOM 868 CG PRO A 110 61.895 35.139 75.002 1.00 13.74 C ANISOU 868 CG PRO A 110 1445 1971 1803 149 13 150 C ATOM 869 CD PRO A 110 61.855 36.266 76.010 1.00 13.89 C ANISOU 869 CD PRO A 110 1309 2128 1840 188 110 149 C ATOM 0 HA PRO A 110 59.199 35.999 74.495 1.00 14.66 H new ATOM 0 HB2 PRO A 110 60.535 33.852 75.845 1.00 13.75 H new ATOM 0 HB3 PRO A 110 60.355 33.975 74.301 1.00 13.75 H new ATOM 0 HG2 PRO A 110 62.612 34.517 75.200 1.00 13.74 H new ATOM 0 HG3 PRO A 110 62.051 35.476 74.106 1.00 13.74 H new ATOM 0 HD2 PRO A 110 62.138 35.974 76.891 1.00 13.89 H new ATOM 0 HD3 PRO A 110 62.435 37.001 75.755 1.00 13.89 H new ATOM 870 N MET A 111 58.535 35.006 77.433 1.00 14.19 N ANISOU 870 N MET A 111 1275 2255 1861 -85 67 158 N ATOM 871 CA MET A 111 57.431 34.475 78.225 1.00 14.58 C ANISOU 871 CA MET A 111 1207 2447 1884 19 162 155 C ATOM 872 C MET A 111 56.386 35.538 78.499 1.00 15.01 C ANISOU 872 C MET A 111 1146 2644 1914 15 236 148 C ATOM 873 O MET A 111 55.202 35.273 78.450 1.00 15.22 O ANISOU 873 O MET A 111 1161 2651 1970 -118 129 177 O ATOM 874 CB MET A 111 57.965 33.861 79.521 1.00 14.43 C ANISOU 874 CB MET A 111 1202 2358 1921 -149 133 201 C ATOM 875 CG MET A 111 58.825 32.646 79.262 1.00 15.41 C ANISOU 875 CG MET A 111 1330 2377 2147 -151 32 232 C ATOM 876 SD MET A 111 57.875 31.279 78.527 1.00 17.80 S ANISOU 876 SD MET A 111 1707 2624 2432 -297 37 143 S ATOM 877 CE MET A 111 58.495 31.282 76.840 1.00 18.82 C ANISOU 877 CE MET A 111 1768 2767 2617 -549 196 -75 C ATOM 0 H MET A 111 59.259 35.163 77.870 1.00 14.19 H new ATOM 0 HA MET A 111 56.993 33.776 77.715 1.00 14.58 H new ATOM 0 HB2 MET A 111 58.482 34.525 80.003 1.00 14.43 H new ATOM 0 HB3 MET A 111 57.220 33.613 80.091 1.00 14.43 H new ATOM 0 HG2 MET A 111 59.554 32.887 78.669 1.00 15.41 H new ATOM 0 HG3 MET A 111 59.224 32.350 80.095 1.00 15.41 H new ATOM 0 HE1 MET A 111 58.056 30.582 76.332 1.00 18.82 H new ATOM 0 HE2 MET A 111 58.312 32.141 76.429 1.00 18.82 H new ATOM 0 HE3 MET A 111 59.452 31.125 76.847 1.00 18.82 H new ATOM 878 N LEU A 112 56.818 36.744 78.819 1.00 15.09 N ANISOU 878 N LEU A 112 1195 2650 1889 1 323 139 N ATOM 879 CA LEU A 112 55.840 37.821 79.034 1.00 15.41 C ANISOU 879 CA LEU A 112 1208 2695 1952 77 214 129 C ATOM 880 C LEU A 112 55.124 38.108 77.719 1.00 14.95 C ANISOU 880 C LEU A 112 992 2687 2000 46 163 117 C ATOM 881 O LEU A 112 53.954 38.476 77.703 1.00 16.14 O ANISOU 881 O LEU A 112 1055 3019 2058 142 159 68 O ATOM 882 CB LEU A 112 56.516 39.081 79.599 1.00 16.61 C ANISOU 882 CB LEU A 112 1532 2796 1984 185 108 76 C ATOM 883 CG LEU A 112 56.663 39.102 81.130 1.00 16.24 C ANISOU 883 CG LEU A 112 1415 2818 1938 140 122 74 C ATOM 884 CD1 LEU A 112 57.244 37.790 81.660 1.00 17.38 C ANISOU 884 CD1 LEU A 112 1910 2731 1962 -45 36 117 C ATOM 885 CD2 LEU A 112 57.536 40.296 81.546 1.00 15.82 C ANISOU 885 CD2 LEU A 112 1343 2758 1909 160 315 57 C ATOM 0 H LEU A 112 57.643 36.966 78.917 1.00 15.09 H new ATOM 0 HA LEU A 112 55.187 37.538 79.693 1.00 15.41 H new ATOM 0 HB2 LEU A 112 57.396 39.167 79.201 1.00 16.61 H new ATOM 0 HB3 LEU A 112 56.004 39.858 79.325 1.00 16.61 H new ATOM 0 HG LEU A 112 55.781 39.200 81.521 1.00 16.24 H new ATOM 0 HD11 LEU A 112 57.323 37.838 82.626 1.00 17.38 H new ATOM 0 HD12 LEU A 112 56.658 37.056 81.420 1.00 17.38 H new ATOM 0 HD13 LEU A 112 58.121 37.644 81.271 1.00 17.38 H new ATOM 0 HD21 LEU A 112 57.628 40.309 82.512 1.00 15.82 H new ATOM 0 HD22 LEU A 112 58.413 40.214 81.139 1.00 15.82 H new ATOM 0 HD23 LEU A 112 57.119 41.120 81.251 1.00 15.82 H new ATOM 886 N GLY A 113 55.850 37.938 76.612 1.00 14.40 N ANISOU 886 N GLY A 113 925 2580 1965 73 89 97 N ATOM 887 CA GLY A 113 55.236 38.119 75.297 1.00 15.47 C ANISOU 887 CA GLY A 113 1094 2757 2025 -28 24 70 C ATOM 888 C GLY A 113 54.130 37.104 75.048 1.00 16.08 C ANISOU 888 C GLY A 113 1060 2888 2163 -26 34 21 C ATOM 889 O GLY A 113 53.098 37.427 74.445 1.00 17.29 O ANISOU 889 O GLY A 113 1133 3144 2292 85 -6 8 O ATOM 0 H GLY A 113 56.682 37.722 76.600 1.00 14.40 H new ATOM 0 HA2 GLY A 113 54.873 39.016 75.230 1.00 15.47 H new ATOM 0 HA3 GLY A 113 55.914 38.035 74.609 1.00 15.47 H new ATOM 890 N GLN A 114 54.326 35.874 75.509 1.00 16.08 N ANISOU 890 N GLN A 114 1104 2812 2195 -119 70 9 N ATOM 891 CA GLN A 114 53.276 34.859 75.345 1.00 16.72 C ANISOU 891 CA GLN A 114 1062 2974 2318 -182 30 76 C ATOM 892 C GLN A 114 52.092 35.158 76.262 1.00 18.82 C ANISOU 892 C GLN A 114 1233 3399 2519 -25 60 126 C ATOM 893 O GLN A 114 50.948 34.935 75.888 1.00 20.30 O ANISOU 893 O GLN A 114 1379 3620 2714 -132 68 84 O ATOM 894 CB GLN A 114 53.801 33.461 75.618 1.00 15.92 C ANISOU 894 CB GLN A 114 1473 2490 2086 -283 -10 115 C ATOM 895 CG GLN A 114 55.027 33.025 74.810 1.00 15.97 C ANISOU 895 CG GLN A 114 1307 2621 2141 -269 -36 98 C ATOM 896 CD GLN A 114 55.015 33.504 73.361 1.00 16.89 C ANISOU 896 CD GLN A 114 1439 2779 2198 -261 -76 70 C ATOM 897 OE1 GLN A 114 54.199 33.062 72.570 1.00 17.23 O ANISOU 897 OE1 GLN A 114 1508 2833 2204 -349 -93 44 O ATOM 898 NE2 GLN A 114 55.919 34.432 73.017 1.00 17.41 N ANISOU 898 NE2 GLN A 114 1558 2858 2198 -183 -94 71 N ATOM 0 H GLN A 114 55.038 35.606 75.910 1.00 16.08 H new ATOM 0 HA GLN A 114 52.981 34.895 74.422 1.00 16.72 H new ATOM 0 HB2 GLN A 114 54.020 33.397 76.561 1.00 15.92 H new ATOM 0 HB3 GLN A 114 53.085 32.829 75.449 1.00 15.92 H new ATOM 0 HG2 GLN A 114 55.826 33.360 75.246 1.00 15.97 H new ATOM 0 HG3 GLN A 114 55.083 32.057 74.821 1.00 15.97 H new ATOM 0 HE21 GLN A 114 56.481 34.722 73.600 1.00 17.41 H new ATOM 0 HE22 GLN A 114 55.937 34.737 72.213 1.00 17.41 H new ATOM 899 N ASN A 115 52.390 35.656 77.465 1.00 18.17 N ANISOU 899 N ASN A 115 1176 3304 2423 24 116 217 N ATOM 900 CA ASN A 115 51.376 36.145 78.381 1.00 18.15 C ANISOU 900 CA ASN A 115 1221 3195 2480 -59 155 226 C ATOM 901 C ASN A 115 50.522 37.184 77.663 1.00 18.52 C ANISOU 901 C ASN A 115 1063 3353 2622 -36 192 180 C ATOM 902 O ASN A 115 49.311 37.048 77.591 1.00 19.02 O ANISOU 902 O ASN A 115 1050 3443 2734 -39 298 144 O ATOM 903 CB ASN A 115 52.064 36.723 79.623 1.00 18.62 C ANISOU 903 CB ASN A 115 1394 3239 2442 -42 206 231 C ATOM 904 CG ASN A 115 51.101 37.362 80.610 1.00 19.81 C ANISOU 904 CG ASN A 115 1378 3674 2473 133 258 213 C ATOM 905 OD1 ASN A 115 50.102 37.981 80.243 1.00 20.74 O ANISOU 905 OD1 ASN A 115 1401 3915 2566 185 109 211 O ATOM 906 ND2 ASN A 115 51.429 37.236 81.899 1.00 20.22 N ANISOU 906 ND2 ASN A 115 1765 3440 2479 397 440 219 N ATOM 0 H ASN A 115 53.193 35.717 77.768 1.00 18.17 H new ATOM 0 HA ASN A 115 50.792 35.427 78.671 1.00 18.15 H new ATOM 0 HB2 ASN A 115 52.553 36.015 80.072 1.00 18.62 H new ATOM 0 HB3 ASN A 115 52.716 37.385 79.344 1.00 18.62 H new ATOM 0 HD21 ASN A 115 50.935 37.594 82.505 1.00 20.22 H new ATOM 0 HD22 ASN A 115 52.134 36.797 82.122 1.00 20.22 H new ATOM 907 N HIS A 116 51.159 38.196 77.076 1.00 18.86 N ANISOU 907 N HIS A 116 1045 3428 2692 14 156 177 N ATOM 908 CA HIS A 116 50.413 39.235 76.329 1.00 19.57 C ANISOU 908 CA HIS A 116 1153 3544 2739 119 128 138 C ATOM 909 C HIS A 116 49.541 38.610 75.253 1.00 20.92 C ANISOU 909 C HIS A 116 1334 3780 2833 110 14 146 C ATOM 910 O HIS A 116 48.366 38.966 75.104 1.00 21.96 O ANISOU 910 O HIS A 116 1445 4002 2897 209 -2 161 O ATOM 911 CB HIS A 116 51.375 40.243 75.675 1.00 19.98 C ANISOU 911 CB HIS A 116 1335 3494 2763 217 178 61 C ATOM 912 CG HIS A 116 52.112 41.113 76.659 1.00 21.07 C ANISOU 912 CG HIS A 116 1667 3582 2755 277 214 -22 C ATOM 913 ND1 HIS A 116 52.966 42.127 76.263 1.00 22.36 N ANISOU 913 ND1 HIS A 116 1982 3745 2770 159 234 -97 N ATOM 914 CD2 HIS A 116 52.115 41.132 78.016 1.00 20.95 C ANISOU 914 CD2 HIS A 116 1717 3485 2759 376 253 -33 C ATOM 915 CE1 HIS A 116 53.474 42.717 77.334 1.00 22.02 C ANISOU 915 CE1 HIS A 116 1936 3658 2772 216 279 -117 C ATOM 916 NE2 HIS A 116 52.990 42.122 78.403 1.00 21.61 N ANISOU 916 NE2 HIS A 116 1869 3575 2767 336 292 -78 N ATOM 0 H HIS A 116 52.012 38.307 77.092 1.00 18.86 H new ATOM 0 HA HIS A 116 49.850 39.700 76.967 1.00 19.57 H new ATOM 0 HB2 HIS A 116 52.021 39.758 75.139 1.00 19.98 H new ATOM 0 HB3 HIS A 116 50.872 40.810 75.069 1.00 19.98 H new ATOM 0 HD1 HIS A 116 53.140 42.341 75.448 1.00 22.36 H new ATOM 0 HD2 HIS A 116 51.620 40.581 78.578 1.00 20.95 H new ATOM 0 HE1 HIS A 116 54.071 43.430 77.331 1.00 22.02 H new ATOM 917 N HIS A 117 50.109 37.672 74.507 1.00 21.02 N ANISOU 917 N HIS A 117 1446 3713 2826 -20 -73 137 N ATOM 918 CA HIS A 117 49.399 37.097 73.378 1.00 20.37 C ANISOU 918 CA HIS A 117 1174 3689 2877 -118 -124 159 C ATOM 919 C HIS A 117 48.128 36.370 73.802 1.00 20.67 C ANISOU 919 C HIS A 117 1197 3689 2966 -231 -119 228 C ATOM 920 O HIS A 117 47.038 36.660 73.294 1.00 22.51 O ANISOU 920 O HIS A 117 1333 4078 3143 -203 -207 256 O ATOM 921 CB HIS A 117 50.266 36.136 72.566 1.00 20.56 C ANISOU 921 CB HIS A 117 1281 3658 2874 -34 -252 125 C ATOM 922 CG HIS A 117 49.492 35.500 71.462 1.00 21.78 C ANISOU 922 CG HIS A 117 1462 3822 2992 -91 -416 159 C ATOM 923 ND1 HIS A 117 49.168 36.175 70.301 1.00 23.79 N ANISOU 923 ND1 HIS A 117 2031 3970 3039 -59 -574 196 N ATOM 924 CD2 HIS A 117 48.870 34.301 71.385 1.00 23.10 C ANISOU 924 CD2 HIS A 117 1675 4022 3079 -399 -429 260 C ATOM 925 CE1 HIS A 117 48.420 35.400 69.535 1.00 25.40 C ANISOU 925 CE1 HIS A 117 2385 4151 3113 -97 -661 295 C ATOM 926 NE2 HIS A 117 48.209 34.261 70.172 1.00 25.35 N ANISOU 926 NE2 HIS A 117 2225 4278 3128 -539 -542 328 N ATOM 0 H HIS A 117 50.899 37.357 74.637 1.00 21.02 H new ATOM 0 HA HIS A 117 49.162 37.854 72.819 1.00 20.37 H new ATOM 0 HB2 HIS A 117 51.024 36.616 72.197 1.00 20.56 H new ATOM 0 HB3 HIS A 117 50.623 35.449 73.150 1.00 20.56 H new ATOM 0 HD1 HIS A 117 49.415 36.976 70.107 1.00 23.79 H new ATOM 0 HD2 HIS A 117 48.885 33.629 72.028 1.00 23.10 H new ATOM 0 HE1 HIS A 117 48.097 35.619 68.691 1.00 25.40 H new ATOM 927 N PHE A 118 48.253 35.449 74.745 1.00 20.66 N ANISOU 927 N PHE A 118 1112 3766 2971 -235 -91 247 N ATOM 928 CA PHE A 118 47.110 34.625 75.122 1.00 21.34 C ANISOU 928 CA PHE A 118 1122 3963 3024 -309 -23 212 C ATOM 929 C PHE A 118 46.061 35.402 75.924 1.00 24.12 C ANISOU 929 C PHE A 118 1367 4413 3385 -188 -78 102 C ATOM 930 O PHE A 118 44.890 35.031 75.955 1.00 24.37 O ANISOU 930 O PHE A 118 1268 4511 3482 -298 -181 119 O ATOM 931 CB PHE A 118 47.546 33.372 75.864 1.00 20.07 C ANISOU 931 CB PHE A 118 1142 3601 2883 -607 69 254 C ATOM 932 CG PHE A 118 48.103 32.319 74.952 1.00 20.64 C ANISOU 932 CG PHE A 118 1284 3751 2807 -713 -5 342 C ATOM 933 CD1 PHE A 118 47.241 31.516 74.183 1.00 22.24 C ANISOU 933 CD1 PHE A 118 1579 3973 2900 -868 -197 227 C ATOM 934 CD2 PHE A 118 49.447 32.159 74.819 1.00 20.53 C ANISOU 934 CD2 PHE A 118 1413 3594 2793 -607 31 443 C ATOM 935 CE1 PHE A 118 47.755 30.551 73.331 1.00 22.32 C ANISOU 935 CE1 PHE A 118 1500 3964 3016 -867 -330 184 C ATOM 936 CE2 PHE A 118 49.975 31.196 73.973 1.00 22.11 C ANISOU 936 CE2 PHE A 118 1974 3545 2882 -738 -71 263 C ATOM 937 CZ PHE A 118 49.124 30.402 73.218 1.00 21.94 C ANISOU 937 CZ PHE A 118 1604 3796 2938 -675 -272 130 C ATOM 0 H PHE A 118 48.979 35.284 75.175 1.00 20.66 H new ATOM 0 HA PHE A 118 46.686 34.352 74.293 1.00 21.34 H new ATOM 0 HB2 PHE A 118 48.216 33.609 76.524 1.00 20.07 H new ATOM 0 HB3 PHE A 118 46.788 33.007 76.347 1.00 20.07 H new ATOM 0 HD1 PHE A 118 46.321 31.633 74.247 1.00 22.24 H new ATOM 0 HD2 PHE A 118 50.022 32.705 75.304 1.00 20.53 H new ATOM 0 HE1 PHE A 118 47.183 30.008 72.839 1.00 22.32 H new ATOM 0 HE2 PHE A 118 50.896 31.083 73.912 1.00 22.11 H new ATOM 0 HZ PHE A 118 49.476 29.768 72.635 1.00 21.94 H new ATOM 938 N ASN A 119 46.472 36.483 76.568 1.00 25.76 N ANISOU 938 N ASN A 119 1802 4422 3563 -126 10 23 N ATOM 939 CA ASN A 119 45.495 37.290 77.307 1.00 26.55 C ANISOU 939 CA ASN A 119 1558 4822 3709 -130 190 153 C ATOM 940 C ASN A 119 44.819 38.348 76.466 1.00 27.87 C ANISOU 940 C ASN A 119 1485 5137 3969 21 208 198 C ATOM 941 O ASN A 119 43.703 38.711 76.748 1.00 29.26 O ANISOU 941 O ASN A 119 1494 5415 4208 317 346 18 O ATOM 942 CB ASN A 119 46.153 37.938 78.536 1.00 28.55 C ANISOU 942 CB ASN A 119 2259 4840 3748 -128 392 153 C ATOM 943 CG ASN A 119 46.373 36.934 79.658 1.00 29.96 C ANISOU 943 CG ASN A 119 2137 5248 3999 -104 410 341 C ATOM 944 OD1 ASN A 119 45.473 36.668 80.437 1.00 29.64 O ANISOU 944 OD1 ASN A 119 1826 5364 4070 -211 518 385 O ATOM 945 ND2 ASN A 119 47.538 36.337 79.704 1.00 29.99 N ANISOU 945 ND2 ASN A 119 2261 5149 3984 -138 198 609 N ATOM 0 H ASN A 119 47.284 36.766 76.595 1.00 25.76 H new ATOM 0 HA ASN A 119 44.799 36.675 77.588 1.00 26.55 H new ATOM 0 HB2 ASN A 119 47.004 38.327 78.279 1.00 28.55 H new ATOM 0 HB3 ASN A 119 45.594 38.663 78.857 1.00 28.55 H new ATOM 0 HD21 ASN A 119 47.689 35.734 80.298 1.00 29.99 H new ATOM 0 HD22 ASN A 119 48.152 36.548 79.140 1.00 29.99 H new ATOM 946 N HIS A 120 45.491 38.863 75.448 1.00 28.08 N ANISOU 946 N HIS A 120 1745 4955 3970 145 73 242 N ATOM 947 CA HIS A 120 44.983 40.040 74.734 1.00 29.48 C ANISOU 947 CA HIS A 120 2261 4928 4011 358 -116 114 C ATOM 948 C HIS A 120 44.815 39.895 73.235 1.00 30.55 C ANISOU 948 C HIS A 120 2290 5126 4193 323 -430 18 C ATOM 949 O HIS A 120 43.988 40.561 72.670 1.00 34.50 O ANISOU 949 O HIS A 120 2647 5956 4504 558 -797 -221 O ATOM 950 CB HIS A 120 45.902 41.242 75.023 1.00 29.58 C ANISOU 950 CB HIS A 120 2416 4771 4053 493 -51 41 C ATOM 951 CG HIS A 120 46.038 41.526 76.478 1.00 30.21 C ANISOU 951 CG HIS A 120 2243 5084 4150 509 33 10 C ATOM 952 ND1 HIS A 120 44.956 41.847 77.269 1.00 32.05 N ANISOU 952 ND1 HIS A 120 2204 5741 4232 889 19 -97 N ATOM 953 CD2 HIS A 120 47.116 41.516 77.294 1.00 29.88 C ANISOU 953 CD2 HIS A 120 2274 4962 4117 567 164 99 C ATOM 954 CE1 HIS A 120 45.364 42.033 78.512 1.00 33.26 C ANISOU 954 CE1 HIS A 120 2343 6047 4249 720 60 -203 C ATOM 955 NE2 HIS A 120 46.672 41.835 78.554 1.00 31.64 N ANISOU 955 NE2 HIS A 120 2343 5476 4204 734 184 -47 N ATOM 0 H HIS A 120 46.237 38.554 75.152 1.00 28.08 H new ATOM 0 HA HIS A 120 44.084 40.167 75.075 1.00 29.48 H new ATOM 0 HB2 HIS A 120 46.780 41.071 74.648 1.00 29.58 H new ATOM 0 HB3 HIS A 120 45.551 42.028 74.576 1.00 29.58 H new ATOM 0 HD2 HIS A 120 47.993 41.328 77.048 1.00 29.88 H new ATOM 0 HE1 HIS A 120 44.825 42.264 79.234 1.00 33.26 H new ATOM 0 HE2 HIS A 120 47.164 41.896 79.257 1.00 31.64 H new ATOM 956 N ALA A 121 45.620 39.071 72.589 1.00 28.54 N ANISOU 956 N ALA A 121 2145 4665 4034 300 -334 264 N ATOM 957 CA ALA A 121 45.601 39.001 71.131 1.00 28.39 C ANISOU 957 CA ALA A 121 2207 4654 3926 324 -444 447 C ATOM 958 C ALA A 121 44.949 37.742 70.588 1.00 31.88 C ANISOU 958 C ALA A 121 2909 5141 4062 66 -679 346 C ATOM 959 O ALA A 121 44.439 37.753 69.493 1.00 34.21 O ANISOU 959 O ALA A 121 3202 5421 4374 112 -1081 210 O ATOM 960 CB ALA A 121 47.005 39.141 70.593 1.00 27.65 C ANISOU 960 CB ALA A 121 2090 4571 3844 -301 -418 623 C ATOM 0 H ALA A 121 46.184 38.544 72.969 1.00 28.54 H new ATOM 0 HA ALA A 121 45.051 39.739 70.826 1.00 28.39 H new ATOM 0 HB1 ALA A 121 46.987 39.094 69.624 1.00 27.65 H new ATOM 0 HB2 ALA A 121 47.373 39.995 70.868 1.00 27.65 H new ATOM 0 HB3 ALA A 121 47.558 38.424 70.941 1.00 27.65 H new ATOM 961 N ALA A 122 44.995 36.646 71.331 1.00 29.31 N ANISOU 961 N ALA A 122 2278 4888 3969 -399 -457 358 N ATOM 962 CA ALA A 122 44.450 35.378 70.842 1.00 28.45 C ANISOU 962 CA ALA A 122 1906 4937 3968 -270 -383 228 C ATOM 963 C ALA A 122 42.955 35.493 70.615 1.00 32.33 C ANISOU 963 C ALA A 122 1992 5909 4384 5 -351 116 C ATOM 964 O ALA A 122 42.272 36.109 71.405 1.00 30.19 O ANISOU 964 O ALA A 122 1692 5519 4259 -15 -51 425 O ATOM 965 CB ALA A 122 44.743 34.265 71.828 1.00 27.55 C ANISOU 965 CB ALA A 122 2244 4524 3701 -657 -387 235 C ATOM 0 H ALA A 122 45.336 36.610 72.120 1.00 29.31 H new ATOM 0 HA ALA A 122 44.876 35.168 69.996 1.00 28.45 H new ATOM 0 HB1 ALA A 122 44.377 33.431 71.493 1.00 27.55 H new ATOM 0 HB2 ALA A 122 45.702 34.175 71.939 1.00 27.55 H new ATOM 0 HB3 ALA A 122 44.337 34.475 72.684 1.00 27.55 H new ATOM 966 N PRO A 123 42.445 34.899 69.526 1.00 38.67 N ANISOU 966 N PRO A 123 3028 6685 4981 -465 -568 -74 N ATOM 967 CA PRO A 123 41.020 35.027 69.200 1.00 40.68 C ANISOU 967 CA PRO A 123 3249 6840 5369 -467 -737 42 C ATOM 968 C PRO A 123 40.134 34.187 70.099 1.00 39.50 C ANISOU 968 C PRO A 123 2986 6459 5562 -630 -675 199 C ATOM 969 O PRO A 123 38.941 34.348 70.088 1.00 41.77 O ANISOU 969 O PRO A 123 3074 6818 5979 -1020 -860 393 O ATOM 970 CB PRO A 123 40.941 34.505 67.760 1.00 44.06 C ANISOU 970 CB PRO A 123 3823 7481 5438 -395 -983 5 C ATOM 971 CG PRO A 123 42.061 33.508 67.673 1.00 43.46 C ANISOU 971 CG PRO A 123 3790 7368 5354 -514 -722 -275 C ATOM 972 CD PRO A 123 43.171 34.082 68.530 1.00 39.25 C ANISOU 972 CD PRO A 123 2989 6721 5205 -293 -645 -97 C ATOM 0 HA PRO A 123 40.709 35.938 69.315 1.00 40.68 H new ATOM 0 HB2 PRO A 123 40.082 34.092 67.579 1.00 44.06 H new ATOM 0 HB3 PRO A 123 41.052 35.222 67.116 1.00 44.06 H new ATOM 0 HG2 PRO A 123 41.782 32.638 67.998 1.00 43.46 H new ATOM 0 HG3 PRO A 123 42.353 33.388 66.756 1.00 43.46 H new ATOM 0 HD2 PRO A 123 43.694 33.383 68.953 1.00 39.25 H new ATOM 0 HD3 PRO A 123 43.786 34.619 68.006 1.00 39.25 H new ATOM 973 N GLN A 124 40.724 33.285 70.862 1.00 37.89 N ANISOU 973 N GLN A 124 3078 5848 5472 -765 -665 129 N ATOM 974 CA GLN A 124 39.950 32.430 71.756 1.00 42.31 C ANISOU 974 CA GLN A 124 3808 6482 5785 -513 -612 84 C ATOM 975 C GLN A 124 40.645 32.435 73.118 1.00 35.08 C ANISOU 975 C GLN A 124 2552 5784 4994 -1130 -551 125 C ATOM 976 O GLN A 124 41.841 32.629 73.202 1.00 32.56 O ANISOU 976 O GLN A 124 2074 5685 4614 -44 -828 -28 O ATOM 977 CB GLN A 124 39.850 30.998 71.178 1.00 50.81 C ANISOU 977 CB GLN A 124 4890 7474 6943 -526 -505 -14 C ATOM 978 CG GLN A 124 41.148 30.531 70.491 1.00 56.91 C ANISOU 978 CG GLN A 124 6284 7723 7616 -404 -248 -6 C ATOM 979 CD GLN A 124 41.015 29.218 69.723 1.00 54.00 C ANISOU 979 CD GLN A 124 6232 7412 6873 -1675 -932 263 C ATOM 980 OE1 GLN A 124 41.077 28.132 70.310 1.00 48.07 O ANISOU 980 OE1 GLN A 124 5302 6829 6132 -2422 -946 -187 O ATOM 981 NE2 GLN A 124 40.876 29.312 68.399 1.00 47.37 N ANISOU 981 NE2 GLN A 124 4897 6392 6711 -2487 -1707 989 N ATOM 0 H GLN A 124 41.573 33.148 70.881 1.00 37.89 H new ATOM 0 HA GLN A 124 39.043 32.761 71.850 1.00 42.31 H new ATOM 0 HB2 GLN A 124 39.629 30.381 71.893 1.00 50.81 H new ATOM 0 HB3 GLN A 124 39.122 30.963 70.538 1.00 50.81 H new ATOM 0 HG2 GLN A 124 41.445 31.223 69.879 1.00 56.91 H new ATOM 0 HG3 GLN A 124 41.840 30.431 71.164 1.00 56.91 H new ATOM 0 HE21 GLN A 124 40.836 30.085 68.025 1.00 47.37 H new ATOM 0 HE22 GLN A 124 40.826 28.599 67.920 1.00 47.37 H new ATOM 982 N THR A 125 39.864 32.252 74.175 1.00 36.48 N ANISOU 982 N THR A 125 2727 6206 4927 -949 -264 365 N ATOM 983 CA THR A 125 40.396 32.160 75.519 1.00 35.91 C ANISOU 983 CA THR A 125 2800 5876 4970 -665 -128 386 C ATOM 984 C THR A 125 40.816 30.726 75.775 1.00 32.87 C ANISOU 984 C THR A 125 2141 5755 4593 -922 -167 289 C ATOM 985 O THR A 125 40.004 29.816 75.724 1.00 31.24 O ANISOU 985 O THR A 125 1851 5572 4445 -1048 -371 168 O ATOM 986 CB THR A 125 39.335 32.590 76.542 1.00 37.15 C ANISOU 986 CB THR A 125 2404 6365 5345 -274 -103 253 C ATOM 987 OG1 THR A 125 39.011 33.964 76.295 1.00 39.67 O ANISOU 987 OG1 THR A 125 2636 6566 5872 -54 -671 302 O ATOM 988 CG2 THR A 125 39.847 32.435 77.977 1.00 35.11 C ANISOU 988 CG2 THR A 125 1971 6244 5126 -514 542 117 C ATOM 0 H THR A 125 39.008 32.178 74.129 1.00 36.48 H new ATOM 0 HA THR A 125 41.161 32.750 75.610 1.00 35.91 H new ATOM 0 HB THR A 125 38.553 32.025 76.446 1.00 37.15 H new ATOM 0 HG1 THR A 125 38.429 34.218 76.845 1.00 39.67 H new ATOM 0 HG21 THR A 125 39.157 32.714 78.599 1.00 35.11 H new ATOM 0 HG22 THR A 125 40.074 31.506 78.141 1.00 35.11 H new ATOM 0 HG23 THR A 125 40.635 32.987 78.101 1.00 35.11 H new ATOM 989 N ILE A 126 42.088 30.533 76.067 1.00 30.66 N ANISOU 989 N ILE A 126 1935 5418 4297 -1156 -203 228 N ATOM 990 CA ILE A 126 42.647 29.190 76.243 1.00 29.92 C ANISOU 990 CA ILE A 126 2060 5245 4065 -1227 -196 307 C ATOM 991 C ILE A 126 43.244 29.072 77.649 1.00 29.19 C ANISOU 991 C ILE A 126 1835 5345 3911 -1086 40 383 C ATOM 992 O ILE A 126 44.399 29.422 77.865 1.00 26.50 O ANISOU 992 O ILE A 126 1812 4616 3639 -1259 166 242 O ATOM 993 CB ILE A 126 43.725 28.905 75.183 1.00 30.71 C ANISOU 993 CB ILE A 126 2527 5157 3986 -870 -324 290 C ATOM 994 CG1 ILE A 126 43.137 29.131 73.781 1.00 34.34 C ANISOU 994 CG1 ILE A 126 2949 5817 4281 -524 -161 577 C ATOM 995 CG2 ILE A 126 44.241 27.487 75.321 1.00 28.49 C ANISOU 995 CG2 ILE A 126 2320 4808 3696 -960 -504 72 C ATOM 996 CD1 ILE A 126 44.146 28.924 72.683 1.00 34.46 C ANISOU 996 CD1 ILE A 126 3065 5567 4462 -1118 54 846 C ATOM 0 H ILE A 126 42.657 31.169 76.170 1.00 30.66 H new ATOM 0 HA ILE A 126 41.939 28.536 76.134 1.00 29.92 H new ATOM 0 HB ILE A 126 44.471 29.511 75.316 1.00 30.71 H new ATOM 0 HG12 ILE A 126 42.391 28.526 73.647 1.00 34.34 H new ATOM 0 HG13 ILE A 126 42.785 30.033 73.724 1.00 34.34 H new ATOM 0 HG21 ILE A 126 44.919 27.322 74.647 1.00 28.49 H new ATOM 0 HG22 ILE A 126 44.627 27.367 76.203 1.00 28.49 H new ATOM 0 HG23 ILE A 126 43.508 26.863 75.201 1.00 28.49 H new ATOM 0 HD11 ILE A 126 43.725 29.078 71.823 1.00 34.46 H new ATOM 0 HD12 ILE A 126 44.882 29.545 72.798 1.00 34.46 H new ATOM 0 HD13 ILE A 126 44.482 28.015 72.719 1.00 34.46 H new ATOM 997 N PRO A 127 42.454 28.576 78.607 1.00 29.79 N ANISOU 997 N PRO A 127 2037 5124 4158 -1193 160 581 N ATOM 998 CA PRO A 127 42.876 28.617 80.003 1.00 29.49 C ANISOU 998 CA PRO A 127 1984 5132 4090 -1135 229 684 C ATOM 999 C PRO A 127 44.182 27.895 80.299 1.00 28.71 C ANISOU 999 C PRO A 127 2155 4858 3894 -1227 277 564 C ATOM 1000 O PRO A 127 44.948 28.379 81.133 1.00 31.24 O ANISOU 1000 O PRO A 127 2886 5138 3846 -1109 407 321 O ATOM 1001 CB PRO A 127 41.708 27.946 80.741 1.00 32.35 C ANISOU 1001 CB PRO A 127 2213 5789 4289 -1294 169 724 C ATOM 1002 CG PRO A 127 40.517 28.264 79.890 1.00 35.46 C ANISOU 1002 CG PRO A 127 2482 6549 4444 -967 167 589 C ATOM 1003 CD PRO A 127 41.041 28.199 78.468 1.00 34.15 C ANISOU 1003 CD PRO A 127 2159 6392 4425 -1133 177 596 C ATOM 0 HA PRO A 127 43.062 29.529 80.277 1.00 29.49 H new ATOM 0 HB2 PRO A 127 41.842 26.989 80.823 1.00 32.35 H new ATOM 0 HB3 PRO A 127 41.607 28.296 81.640 1.00 32.35 H new ATOM 0 HG2 PRO A 127 39.800 27.626 80.032 1.00 35.46 H new ATOM 0 HG3 PRO A 127 40.160 29.142 80.095 1.00 35.46 H new ATOM 0 HD2 PRO A 127 40.944 27.310 78.092 1.00 34.15 H new ATOM 0 HD3 PRO A 127 40.564 28.809 77.883 1.00 34.15 H new ATOM 1004 N TYR A 128 44.448 26.768 79.635 1.00 28.11 N ANISOU 1004 N TYR A 128 2151 4739 3789 -1499 163 578 N ATOM 1005 CA TYR A 128 45.693 26.046 79.872 1.00 26.80 C ANISOU 1005 CA TYR A 128 2162 4372 3648 -1437 200 540 C ATOM 1006 C TYR A 128 46.908 26.925 79.533 1.00 25.97 C ANISOU 1006 C TYR A 128 2002 4432 3435 -1252 161 529 C ATOM 1007 O TYR A 128 47.877 27.001 80.285 1.00 25.43 O ANISOU 1007 O TYR A 128 2095 4187 3379 -1298 60 576 O ATOM 1008 CB TYR A 128 45.757 24.756 79.071 1.00 27.30 C ANISOU 1008 CB TYR A 128 2229 4431 3711 -1563 156 596 C ATOM 1009 CG TYR A 128 47.081 24.068 79.235 1.00 27.08 C ANISOU 1009 CG TYR A 128 2289 4237 3765 -1478 150 717 C ATOM 1010 CD1 TYR A 128 47.326 23.232 80.324 1.00 29.23 C ANISOU 1010 CD1 TYR A 128 2602 4589 3915 -1328 207 899 C ATOM 1011 CD2 TYR A 128 48.120 24.305 78.339 1.00 25.86 C ANISOU 1011 CD2 TYR A 128 2345 3862 3619 -1429 114 665 C ATOM 1012 CE1 TYR A 128 48.564 22.628 80.494 1.00 29.16 C ANISOU 1012 CE1 TYR A 128 2525 4630 3923 -1538 109 972 C ATOM 1013 CE2 TYR A 128 49.347 23.711 78.502 1.00 26.97 C ANISOU 1013 CE2 TYR A 128 2534 4104 3610 -1551 102 696 C ATOM 1014 CZ TYR A 128 49.571 22.875 79.573 1.00 28.31 C ANISOU 1014 CZ TYR A 128 2684 4332 3741 -1412 94 841 C ATOM 1015 OH TYR A 128 50.808 22.285 79.714 1.00 27.43 O ANISOU 1015 OH TYR A 128 2623 4142 3657 -1443 119 784 O ATOM 0 H TYR A 128 43.927 26.411 79.051 1.00 28.11 H new ATOM 0 HA TYR A 128 45.715 25.820 80.815 1.00 26.80 H new ATOM 0 HB2 TYR A 128 45.045 24.162 79.356 1.00 27.30 H new ATOM 0 HB3 TYR A 128 45.606 24.949 78.133 1.00 27.30 H new ATOM 0 HD1 TYR A 128 46.651 23.077 80.945 1.00 29.23 H new ATOM 0 HD2 TYR A 128 47.980 24.875 77.618 1.00 25.86 H new ATOM 0 HE1 TYR A 128 48.717 22.064 81.217 1.00 29.16 H new ATOM 0 HE2 TYR A 128 50.027 23.873 77.889 1.00 26.97 H new ATOM 0 HH TYR A 128 51.365 22.682 79.227 1.00 27.43 H new ATOM 1016 N ALA A 129 46.836 27.594 78.393 1.00 24.01 N ANISOU 1016 N ALA A 129 1835 4037 3251 -1251 92 505 N ATOM 1017 CA ALA A 129 47.953 28.422 77.925 1.00 22.58 C ANISOU 1017 CA ALA A 129 1615 3881 3085 -961 5 448 C ATOM 1018 C ALA A 129 48.075 29.669 78.769 1.00 21.76 C ANISOU 1018 C ALA A 129 1444 3881 2944 -850 114 443 C ATOM 1019 O ALA A 129 49.161 30.098 79.101 1.00 21.42 O ANISOU 1019 O ALA A 129 1422 3898 2818 -657 43 452 O ATOM 1020 CB ALA A 129 47.763 28.796 76.452 1.00 24.00 C ANISOU 1020 CB ALA A 129 2243 3798 3079 -1125 -303 431 C ATOM 0 H ALA A 129 46.153 27.586 77.871 1.00 24.01 H new ATOM 0 HA ALA A 129 48.771 27.908 78.010 1.00 22.58 H new ATOM 0 HB1 ALA A 129 48.508 29.343 76.158 1.00 24.00 H new ATOM 0 HB2 ALA A 129 47.723 27.989 75.916 1.00 24.00 H new ATOM 0 HB3 ALA A 129 46.937 29.294 76.348 1.00 24.00 H new ATOM 1021 N ILE A 130 46.929 30.274 79.090 1.00 22.86 N ANISOU 1021 N ILE A 130 1572 4118 2995 -804 164 475 N ATOM 1022 CA ILE A 130 46.900 31.482 79.899 1.00 23.14 C ANISOU 1022 CA ILE A 130 1539 4203 3052 -636 277 458 C ATOM 1023 C ILE A 130 47.549 31.186 81.254 1.00 23.14 C ANISOU 1023 C ILE A 130 1646 4125 3022 -824 355 436 C ATOM 1024 O ILE A 130 48.367 31.954 81.755 1.00 22.74 O ANISOU 1024 O ILE A 130 1582 4158 2900 -824 282 436 O ATOM 1025 CB ILE A 130 45.463 31.981 80.098 1.00 25.09 C ANISOU 1025 CB ILE A 130 1723 4542 3267 -472 260 382 C ATOM 1026 CG1 ILE A 130 44.936 32.639 78.823 1.00 26.19 C ANISOU 1026 CG1 ILE A 130 1644 4861 3447 -636 174 162 C ATOM 1027 CG2 ILE A 130 45.404 32.994 81.231 1.00 27.60 C ANISOU 1027 CG2 ILE A 130 2404 4770 3311 -473 194 317 C ATOM 1028 CD1 ILE A 130 43.431 32.834 78.813 1.00 27.61 C ANISOU 1028 CD1 ILE A 130 1790 5175 3525 -133 -97 -253 C ATOM 0 H ILE A 130 46.154 29.994 78.844 1.00 22.86 H new ATOM 0 HA ILE A 130 47.393 32.181 79.441 1.00 23.14 H new ATOM 0 HB ILE A 130 44.912 31.213 80.316 1.00 25.09 H new ATOM 0 HG12 ILE A 130 45.366 33.501 78.712 1.00 26.19 H new ATOM 0 HG13 ILE A 130 45.189 32.096 78.060 1.00 26.19 H new ATOM 0 HG21 ILE A 130 44.491 33.300 81.345 1.00 27.60 H new ATOM 0 HG22 ILE A 130 45.710 32.579 82.053 1.00 27.60 H new ATOM 0 HG23 ILE A 130 45.974 33.750 81.019 1.00 27.60 H new ATOM 0 HD11 ILE A 130 43.164 33.254 77.980 1.00 27.61 H new ATOM 0 HD12 ILE A 130 42.992 31.973 78.895 1.00 27.61 H new ATOM 0 HD13 ILE A 130 43.173 33.400 79.557 1.00 27.61 H new ATOM 1029 N GLU A 131 47.191 30.053 81.827 1.00 23.29 N ANISOU 1029 N GLU A 131 1762 3989 3097 -924 389 428 N ATOM 1030 CA GLU A 131 47.720 29.651 83.123 1.00 25.82 C ANISOU 1030 CA GLU A 131 2036 4457 3319 -1000 419 440 C ATOM 1031 C GLU A 131 49.210 29.341 83.040 1.00 22.47 C ANISOU 1031 C GLU A 131 1814 3815 2907 -933 311 448 C ATOM 1032 O GLU A 131 49.987 29.752 83.908 1.00 22.74 O ANISOU 1032 O GLU A 131 1957 3861 2824 -793 388 380 O ATOM 1033 CB GLU A 131 46.942 28.443 83.672 1.00 32.88 C ANISOU 1033 CB GLU A 131 3187 5135 4171 -1215 456 463 C ATOM 1034 CG GLU A 131 47.522 27.816 84.935 1.00 44.08 C ANISOU 1034 CG GLU A 131 4712 6710 5326 -705 199 560 C ATOM 1035 CD GLU A 131 47.303 28.659 86.187 1.00 56.56 C ANISOU 1035 CD GLU A 131 6425 8358 6709 -311 909 1145 C ATOM 1036 OE1 GLU A 131 46.859 29.823 86.064 1.00 60.88 O ANISOU 1036 OE1 GLU A 131 6898 8797 7435 -186 2053 1851 O ATOM 1037 OE2 GLU A 131 47.566 28.149 87.308 1.00 61.72 O ANISOU 1037 OE2 GLU A 131 6937 9553 6959 -819 662 1405 O ATOM 0 H GLU A 131 46.637 29.494 81.481 1.00 23.29 H new ATOM 0 HA GLU A 131 47.607 30.394 83.736 1.00 25.82 H new ATOM 0 HB2 GLU A 131 46.030 28.720 83.855 1.00 32.88 H new ATOM 0 HB3 GLU A 131 46.899 27.763 82.981 1.00 32.88 H new ATOM 0 HG2 GLU A 131 47.121 26.943 85.067 1.00 44.08 H new ATOM 0 HG3 GLU A 131 48.474 27.676 84.810 1.00 44.08 H new ATOM 1038 N ARG A 132 49.609 28.616 81.996 1.00 21.23 N ANISOU 1038 N ARG A 132 1672 3594 2801 -932 254 477 N ATOM 1039 CA ARG A 132 51.010 28.289 81.792 1.00 20.69 C ANISOU 1039 CA ARG A 132 1699 3433 2731 -998 312 440 C ATOM 1040 C ARG A 132 51.891 29.545 81.792 1.00 19.73 C ANISOU 1040 C ARG A 132 1496 3395 2607 -840 331 433 C ATOM 1041 O ARG A 132 52.890 29.581 82.473 1.00 19.47 O ANISOU 1041 O ARG A 132 1411 3418 2568 -697 303 519 O ATOM 1042 CB ARG A 132 51.203 27.509 80.489 1.00 21.83 C ANISOU 1042 CB ARG A 132 1848 3652 2795 -1119 295 375 C ATOM 1043 CG ARG A 132 52.655 27.343 80.059 1.00 22.39 C ANISOU 1043 CG ARG A 132 1854 3773 2880 -538 133 247 C ATOM 1044 CD ARG A 132 52.739 26.434 78.847 1.00 23.74 C ANISOU 1044 CD ARG A 132 2051 4074 2897 -476 -5 278 C ATOM 1045 NE ARG A 132 54.080 26.425 78.242 1.00 22.39 N ANISOU 1045 NE ARG A 132 2085 3502 2922 -782 -51 336 N ATOM 1046 CZ ARG A 132 55.069 25.636 78.653 1.00 22.29 C ANISOU 1046 CZ ARG A 132 2283 3250 2938 -891 -48 392 C ATOM 1047 NH1 ARG A 132 54.879 24.807 79.676 1.00 22.38 N ANISOU 1047 NH1 ARG A 132 2367 3125 3012 -947 -100 487 N ATOM 1048 NH2 ARG A 132 56.247 25.674 78.037 1.00 22.49 N ANISOU 1048 NH2 ARG A 132 2253 3391 2901 -928 17 377 N ATOM 0 H ARG A 132 49.079 28.305 81.395 1.00 21.23 H new ATOM 0 HA ARG A 132 51.286 27.730 82.535 1.00 20.69 H new ATOM 0 HB2 ARG A 132 50.805 26.630 80.590 1.00 21.83 H new ATOM 0 HB3 ARG A 132 50.718 27.960 79.781 1.00 21.83 H new ATOM 0 HG2 ARG A 132 53.039 28.209 79.850 1.00 22.39 H new ATOM 0 HG3 ARG A 132 53.175 26.971 80.788 1.00 22.39 H new ATOM 0 HD2 ARG A 132 52.498 25.531 79.106 1.00 23.74 H new ATOM 0 HD3 ARG A 132 52.091 26.721 78.185 1.00 23.74 H new ATOM 0 HE ARG A 132 54.233 26.960 77.586 1.00 22.39 H new ATOM 0 HH11 ARG A 132 54.116 24.781 80.072 1.00 22.38 H new ATOM 0 HH12 ARG A 132 55.519 24.297 79.941 1.00 22.38 H new ATOM 0 HH21 ARG A 132 56.369 26.208 77.374 1.00 22.49 H new ATOM 0 HH22 ARG A 132 56.887 25.164 78.302 1.00 22.49 H new ATOM 1049 N TYR A 133 51.490 30.574 81.042 1.00 18.35 N ANISOU 1049 N TYR A 133 1268 3192 2513 -747 334 365 N ATOM 1050 CA TYR A 133 52.335 31.752 80.919 1.00 18.07 C ANISOU 1050 CA TYR A 133 1276 3142 2449 -632 319 386 C ATOM 1051 C TYR A 133 52.147 32.681 82.103 1.00 18.75 C ANISOU 1051 C TYR A 133 1324 3364 2436 -472 352 382 C ATOM 1052 O TYR A 133 53.036 33.479 82.409 1.00 18.69 O ANISOU 1052 O TYR A 133 1338 3393 2369 -500 311 321 O ATOM 1053 CB TYR A 133 52.143 32.438 79.537 1.00 17.33 C ANISOU 1053 CB TYR A 133 1274 2913 2399 -611 270 367 C ATOM 1054 CG TYR A 133 52.630 31.497 78.455 1.00 18.23 C ANISOU 1054 CG TYR A 133 1341 3180 2404 -663 129 314 C ATOM 1055 CD1 TYR A 133 53.942 31.082 78.423 1.00 18.47 C ANISOU 1055 CD1 TYR A 133 1403 3208 2405 -473 96 315 C ATOM 1056 CD2 TYR A 133 51.739 30.911 77.555 1.00 20.61 C ANISOU 1056 CD2 TYR A 133 1883 3469 2480 -714 -32 236 C ATOM 1057 CE1 TYR A 133 54.374 30.146 77.513 1.00 18.46 C ANISOU 1057 CE1 TYR A 133 1507 3053 2453 -513 55 215 C ATOM 1058 CE2 TYR A 133 52.165 29.984 76.634 1.00 20.45 C ANISOU 1058 CE2 TYR A 133 1676 3504 2589 -684 -109 233 C ATOM 1059 CZ TYR A 133 53.479 29.605 76.611 1.00 20.09 C ANISOU 1059 CZ TYR A 133 1719 3330 2583 -615 -59 171 C ATOM 1060 OH TYR A 133 53.923 28.675 75.713 1.00 21.45 O ANISOU 1060 OH TYR A 133 2190 3285 2674 -606 -112 78 O ATOM 0 H TYR A 133 50.749 30.607 80.607 1.00 18.35 H new ATOM 0 HA TYR A 133 53.265 31.478 80.946 1.00 18.07 H new ATOM 0 HB2 TYR A 133 51.208 32.656 79.397 1.00 17.33 H new ATOM 0 HB3 TYR A 133 52.637 33.272 79.504 1.00 17.33 H new ATOM 0 HD1 TYR A 133 54.549 31.442 79.029 1.00 18.47 H new ATOM 0 HD2 TYR A 133 50.841 31.152 77.579 1.00 20.61 H new ATOM 0 HE1 TYR A 133 55.265 29.879 77.505 1.00 18.46 H new ATOM 0 HE2 TYR A 133 51.562 29.616 76.029 1.00 20.45 H new ATOM 0 HH TYR A 133 54.760 28.617 75.760 1.00 21.45 H new ATOM 1061 N GLN A 134 51.026 32.560 82.794 1.00 20.35 N ANISOU 1061 N GLN A 134 1519 3680 2532 -611 468 378 N ATOM 1062 CA GLN A 134 50.834 33.334 84.018 1.00 21.40 C ANISOU 1062 CA GLN A 134 1583 3783 2764 -419 497 349 C ATOM 1063 C GLN A 134 51.746 32.840 85.127 1.00 21.20 C ANISOU 1063 C GLN A 134 1902 3622 2532 -351 448 388 C ATOM 1064 O GLN A 134 52.465 33.626 85.769 1.00 21.28 O ANISOU 1064 O GLN A 134 1952 3564 2569 -476 393 528 O ATOM 1065 CB GLN A 134 49.397 33.282 84.504 1.00 23.91 C ANISOU 1065 CB GLN A 134 1534 4256 3295 -118 507 286 C ATOM 1066 CG GLN A 134 49.094 34.399 85.510 1.00 28.86 C ANISOU 1066 CG GLN A 134 2294 5023 3648 -119 586 190 C ATOM 1067 CD GLN A 134 49.245 35.780 84.861 1.00 30.84 C ANISOU 1067 CD GLN A 134 2822 5062 3835 -153 507 127 C ATOM 1068 OE1 GLN A 134 48.932 35.977 83.663 1.00 30.75 O ANISOU 1068 OE1 GLN A 134 2665 5077 3943 -148 436 237 O ATOM 1069 NE2 GLN A 134 49.753 36.730 85.624 1.00 32.03 N ANISOU 1069 NE2 GLN A 134 2989 5382 3800 -234 469 -13 N ATOM 0 H GLN A 134 50.371 32.045 82.580 1.00 20.35 H new ATOM 0 HA GLN A 134 51.056 34.252 83.798 1.00 21.40 H new ATOM 0 HB2 GLN A 134 48.796 33.358 83.746 1.00 23.91 H new ATOM 0 HB3 GLN A 134 49.226 32.421 84.916 1.00 23.91 H new ATOM 0 HG2 GLN A 134 48.192 34.295 85.851 1.00 28.86 H new ATOM 0 HG3 GLN A 134 49.694 34.327 86.269 1.00 28.86 H new ATOM 0 HE21 GLN A 134 49.957 36.561 86.442 1.00 32.03 H new ATOM 0 HE22 GLN A 134 49.880 37.518 85.303 1.00 32.03 H new ATOM 1070 N VAL A 135 51.744 31.533 85.340 1.00 20.32 N ANISOU 1070 N VAL A 135 1635 3681 2404 -671 422 349 N ATOM 1071 CA VAL A 135 52.642 30.945 86.331 1.00 20.60 C ANISOU 1071 CA VAL A 135 1709 3603 2515 -632 405 479 C ATOM 1072 C VAL A 135 54.122 31.244 85.991 1.00 19.48 C ANISOU 1072 C VAL A 135 1600 3511 2289 -469 449 518 C ATOM 1073 O VAL A 135 54.908 31.603 86.867 1.00 18.78 O ANISOU 1073 O VAL A 135 1635 3270 2231 -579 486 537 O ATOM 1074 CB VAL A 135 52.387 29.447 86.470 1.00 23.50 C ANISOU 1074 CB VAL A 135 2024 3975 2931 -730 340 626 C ATOM 1075 CG1 VAL A 135 53.430 28.793 87.361 1.00 24.99 C ANISOU 1075 CG1 VAL A 135 2276 4069 3151 -776 149 695 C ATOM 1076 CG2 VAL A 135 50.994 29.225 87.041 1.00 25.22 C ANISOU 1076 CG2 VAL A 135 2119 4460 3005 -558 486 746 C ATOM 0 H VAL A 135 51.238 30.972 84.929 1.00 20.32 H new ATOM 0 HA VAL A 135 52.456 31.356 87.190 1.00 20.60 H new ATOM 0 HB VAL A 135 52.449 29.038 85.593 1.00 23.50 H new ATOM 0 HG11 VAL A 135 53.245 27.843 87.433 1.00 24.99 H new ATOM 0 HG12 VAL A 135 54.311 28.923 86.977 1.00 24.99 H new ATOM 0 HG13 VAL A 135 53.400 29.195 88.243 1.00 24.99 H new ATOM 0 HG21 VAL A 135 50.829 28.273 87.131 1.00 25.22 H new ATOM 0 HG22 VAL A 135 50.930 29.647 87.912 1.00 25.22 H new ATOM 0 HG23 VAL A 135 50.334 29.613 86.445 1.00 25.22 H new ATOM 1077 N GLU A 136 54.486 31.153 84.715 1.00 18.62 N ANISOU 1077 N GLU A 136 1589 3267 2220 -599 438 454 N ATOM 1078 CA GLU A 136 55.862 31.425 84.314 1.00 17.97 C ANISOU 1078 CA GLU A 136 1578 3069 2182 -307 411 385 C ATOM 1079 C GLU A 136 56.219 32.907 84.487 1.00 17.17 C ANISOU 1079 C GLU A 136 1377 3047 2099 -225 420 308 C ATOM 1080 O GLU A 136 57.316 33.241 84.886 1.00 16.77 O ANISOU 1080 O GLU A 136 1402 2953 2018 -254 395 275 O ATOM 1081 CB GLU A 136 56.098 30.972 82.875 1.00 18.35 C ANISOU 1081 CB GLU A 136 1619 3009 2344 -308 280 405 C ATOM 1082 CG GLU A 136 57.471 31.308 82.327 1.00 18.67 C ANISOU 1082 CG GLU A 136 1669 2993 2431 -342 235 470 C ATOM 1083 CD GLU A 136 58.644 30.714 83.119 1.00 19.34 C ANISOU 1083 CD GLU A 136 1856 3042 2449 -348 271 493 C ATOM 1084 OE1 GLU A 136 58.425 29.843 83.990 1.00 19.52 O ANISOU 1084 OE1 GLU A 136 2015 2905 2496 -391 373 440 O ATOM 1085 OE2 GLU A 136 59.805 31.145 82.849 1.00 18.00 O ANISOU 1085 OE2 GLU A 136 1659 2727 2452 -110 235 459 O ATOM 0 H GLU A 136 53.957 30.937 84.072 1.00 18.62 H new ATOM 0 HA GLU A 136 56.447 30.917 84.898 1.00 17.97 H new ATOM 0 HB2 GLU A 136 55.968 30.012 82.825 1.00 18.35 H new ATOM 0 HB3 GLU A 136 55.427 31.379 82.306 1.00 18.35 H new ATOM 0 HG2 GLU A 136 57.525 30.995 81.410 1.00 18.67 H new ATOM 0 HG3 GLU A 136 57.569 32.273 82.304 1.00 18.67 H new ATOM 1086 N THR A 137 55.263 33.788 84.211 1.00 16.98 N ANISOU 1086 N THR A 137 1398 3045 2007 -184 365 285 N ATOM 1087 CA THR A 137 55.448 35.223 84.431 1.00 17.11 C ANISOU 1087 CA THR A 137 1384 3079 2039 -120 359 246 C ATOM 1088 C THR A 137 55.743 35.508 85.903 1.00 16.66 C ANISOU 1088 C THR A 137 1339 2994 1998 -90 450 259 C ATOM 1089 O THR A 137 56.690 36.225 86.237 1.00 16.72 O ANISOU 1089 O THR A 137 1386 3023 1943 -58 454 214 O ATOM 1090 CB THR A 137 54.198 36.025 83.966 1.00 17.84 C ANISOU 1090 CB THR A 137 1442 3215 2123 -52 297 158 C ATOM 1091 OG1 THR A 137 54.045 35.885 82.550 1.00 17.94 O ANISOU 1091 OG1 THR A 137 1546 3118 2151 -55 298 190 O ATOM 1092 CG2 THR A 137 54.337 37.498 84.295 1.00 18.23 C ANISOU 1092 CG2 THR A 137 1392 3382 2154 -7 254 54 C ATOM 0 H THR A 137 54.493 33.575 83.893 1.00 16.98 H new ATOM 0 HA THR A 137 56.208 35.510 83.901 1.00 17.11 H new ATOM 0 HB THR A 137 53.423 35.672 84.431 1.00 17.84 H new ATOM 0 HG1 THR A 137 53.521 35.250 82.386 1.00 17.94 H new ATOM 0 HG21 THR A 137 53.546 37.973 83.995 1.00 18.23 H new ATOM 0 HG22 THR A 137 54.435 37.608 85.254 1.00 18.23 H new ATOM 0 HG23 THR A 137 55.119 37.857 83.847 1.00 18.23 H new ATOM 1093 N GLN A 138 54.946 34.924 86.790 1.00 17.09 N ANISOU 1093 N GLN A 138 1372 3031 2089 -95 529 308 N ATOM 1094 CA GLN A 138 55.174 35.057 88.224 1.00 19.28 C ANISOU 1094 CA GLN A 138 1653 3369 2302 -164 593 337 C ATOM 1095 C GLN A 138 56.529 34.497 88.646 1.00 18.59 C ANISOU 1095 C GLN A 138 1713 3276 2076 -209 547 362 C ATOM 1096 O GLN A 138 57.206 35.088 89.488 1.00 18.96 O ANISOU 1096 O GLN A 138 1775 3386 2042 -199 544 305 O ATOM 1097 CB GLN A 138 54.054 34.371 88.996 1.00 23.02 C ANISOU 1097 CB GLN A 138 1966 3889 2893 -239 702 353 C ATOM 1098 CG GLN A 138 52.730 35.062 88.793 1.00 28.03 C ANISOU 1098 CG GLN A 138 2443 4580 3627 -220 791 397 C ATOM 1099 CD GLN A 138 51.568 34.274 89.343 1.00 34.02 C ANISOU 1099 CD GLN A 138 3096 5489 4342 -398 841 435 C ATOM 1100 OE1 GLN A 138 51.724 33.127 89.770 1.00 34.45 O ANISOU 1100 OE1 GLN A 138 3106 5458 4525 -642 863 781 O ATOM 1101 NE2 GLN A 138 50.389 34.883 89.337 1.00 39.40 N ANISOU 1101 NE2 GLN A 138 3701 6526 4744 -147 844 116 N ATOM 0 H GLN A 138 54.264 34.444 86.581 1.00 17.09 H new ATOM 0 HA GLN A 138 55.178 36.004 88.433 1.00 19.28 H new ATOM 0 HB2 GLN A 138 53.984 33.447 88.711 1.00 23.02 H new ATOM 0 HB3 GLN A 138 54.272 34.360 89.941 1.00 23.02 H new ATOM 0 HG2 GLN A 138 52.756 35.933 89.220 1.00 28.03 H new ATOM 0 HG3 GLN A 138 52.592 35.215 87.845 1.00 28.03 H new ATOM 0 HE21 GLN A 138 50.320 35.684 89.031 1.00 39.40 H new ATOM 0 HE22 GLN A 138 49.694 34.477 89.639 1.00 39.40 H new ATOM 1102 N ARG A 139 56.921 33.367 88.068 1.00 17.38 N ANISOU 1102 N ARG A 139 1627 3028 1950 -352 504 453 N ATOM 1103 CA ARG A 139 58.227 32.792 88.391 1.00 16.60 C ANISOU 1103 CA ARG A 139 1560 2875 1873 -388 441 489 C ATOM 1104 C ARG A 139 59.324 33.781 88.016 1.00 16.12 C ANISOU 1104 C ARG A 139 1505 2850 1768 -233 434 408 C ATOM 1105 O ARG A 139 60.254 34.011 88.786 1.00 16.83 O ANISOU 1105 O ARG A 139 1711 2950 1734 -129 459 388 O ATOM 1106 CB ARG A 139 58.456 31.460 87.675 1.00 16.98 C ANISOU 1106 CB ARG A 139 1649 2854 1947 -526 359 545 C ATOM 1107 CG ARG A 139 59.632 30.644 88.240 1.00 17.27 C ANISOU 1107 CG ARG A 139 1665 2896 2000 -576 297 541 C ATOM 1108 CD ARG A 139 60.019 29.499 87.311 1.00 17.65 C ANISOU 1108 CD ARG A 139 1739 2904 2064 -544 284 507 C ATOM 1109 NE ARG A 139 60.468 30.018 86.025 1.00 17.27 N ANISOU 1109 NE ARG A 139 1808 2691 2063 -433 290 494 N ATOM 1110 CZ ARG A 139 61.713 30.398 85.775 1.00 17.17 C ANISOU 1110 CZ ARG A 139 1842 2604 2077 -257 286 518 C ATOM 1111 NH1 ARG A 139 62.630 30.293 86.735 1.00 17.16 N ANISOU 1111 NH1 ARG A 139 1920 2547 2054 -182 297 528 N ATOM 1112 NH2 ARG A 139 62.048 30.876 84.586 1.00 17.68 N ANISOU 1112 NH2 ARG A 139 1859 2800 2058 -209 268 532 N ATOM 0 H ARG A 139 56.457 32.923 87.496 1.00 17.38 H new ATOM 0 HA ARG A 139 58.251 32.617 89.345 1.00 16.60 H new ATOM 0 HB2 ARG A 139 57.647 30.928 87.733 1.00 16.98 H new ATOM 0 HB3 ARG A 139 58.615 31.632 86.734 1.00 16.98 H new ATOM 0 HG2 ARG A 139 60.396 31.226 88.373 1.00 17.27 H new ATOM 0 HG3 ARG A 139 59.392 30.289 89.110 1.00 17.27 H new ATOM 0 HD2 ARG A 139 60.723 28.970 87.717 1.00 17.65 H new ATOM 0 HD3 ARG A 139 59.260 28.909 87.181 1.00 17.65 H new ATOM 0 HE ARG A 139 59.891 30.081 85.391 1.00 17.27 H new ATOM 0 HH11 ARG A 139 62.411 29.982 87.506 1.00 17.16 H new ATOM 0 HH12 ARG A 139 63.441 30.537 86.584 1.00 17.16 H new ATOM 0 HH21 ARG A 139 61.455 30.942 83.967 1.00 17.68 H new ATOM 0 HH22 ARG A 139 62.858 31.120 84.433 1.00 17.68 H new ATOM 1113 N LEU A 140 59.202 34.383 86.836 1.00 15.75 N ANISOU 1113 N LEU A 140 1430 2789 1766 -178 398 362 N ATOM 1114 CA LEU A 140 60.236 35.294 86.359 1.00 16.38 C ANISOU 1114 CA LEU A 140 1700 2783 1739 -32 444 355 C ATOM 1115 C LEU A 140 60.321 36.549 87.229 1.00 16.87 C ANISOU 1115 C LEU A 140 1699 2974 1738 -56 424 218 C ATOM 1116 O LEU A 140 61.414 37.051 87.493 1.00 17.33 O ANISOU 1116 O LEU A 140 1751 3132 1703 186 367 174 O ATOM 1117 CB LEU A 140 59.998 35.660 84.890 1.00 16.15 C ANISOU 1117 CB LEU A 140 1676 2683 1779 -43 476 413 C ATOM 1118 CG LEU A 140 60.258 34.493 83.943 1.00 15.52 C ANISOU 1118 CG LEU A 140 1558 2520 1818 -132 338 378 C ATOM 1119 CD1 LEU A 140 59.542 34.676 82.605 1.00 16.64 C ANISOU 1119 CD1 LEU A 140 1823 2642 1857 -7 299 286 C ATOM 1120 CD2 LEU A 140 61.749 34.286 83.724 1.00 14.91 C ANISOU 1120 CD2 LEU A 140 1516 2364 1786 -21 206 432 C ATOM 0 H LEU A 140 58.536 34.279 86.302 1.00 15.75 H new ATOM 0 HA LEU A 140 61.088 34.836 86.425 1.00 16.38 H new ATOM 0 HB2 LEU A 140 59.083 35.963 84.780 1.00 16.15 H new ATOM 0 HB3 LEU A 140 60.574 36.402 84.648 1.00 16.15 H new ATOM 0 HG LEU A 140 59.896 33.699 84.366 1.00 15.52 H new ATOM 0 HD11 LEU A 140 59.730 33.917 82.031 1.00 16.64 H new ATOM 0 HD12 LEU A 140 58.586 34.738 82.755 1.00 16.64 H new ATOM 0 HD13 LEU A 140 59.855 35.489 82.179 1.00 16.64 H new ATOM 0 HD21 LEU A 140 61.887 33.540 83.120 1.00 14.91 H new ATOM 0 HD22 LEU A 140 62.134 35.089 83.339 1.00 14.91 H new ATOM 0 HD23 LEU A 140 62.178 34.097 84.573 1.00 14.91 H new ATOM 1121 N TYR A 141 59.167 37.060 87.658 1.00 17.59 N ANISOU 1121 N TYR A 141 1741 3138 1806 -13 457 116 N ATOM 1122 CA TYR A 141 59.170 38.231 88.523 1.00 18.36 C ANISOU 1122 CA TYR A 141 1976 3165 1835 103 463 99 C ATOM 1123 C TYR A 141 59.779 37.888 89.878 1.00 18.22 C ANISOU 1123 C TYR A 141 2064 3125 1734 112 492 222 C ATOM 1124 O TYR A 141 60.485 38.692 90.487 1.00 18.18 O ANISOU 1124 O TYR A 141 2045 3196 1666 130 566 262 O ATOM 1125 CB TYR A 141 57.771 38.810 88.703 1.00 18.63 C ANISOU 1125 CB TYR A 141 1898 3260 1920 -25 400 36 C ATOM 1126 CG TYR A 141 57.423 39.825 87.644 1.00 20.29 C ANISOU 1126 CG TYR A 141 2300 3467 1943 0 324 16 C ATOM 1127 CD1 TYR A 141 56.822 39.444 86.436 1.00 19.98 C ANISOU 1127 CD1 TYR A 141 2375 3293 1923 6 330 38 C ATOM 1128 CD2 TYR A 141 57.690 41.171 87.832 1.00 20.47 C ANISOU 1128 CD2 TYR A 141 2364 3426 1987 68 181 -44 C ATOM 1129 CE1 TYR A 141 56.500 40.386 85.480 1.00 19.19 C ANISOU 1129 CE1 TYR A 141 2107 3247 1939 249 164 -28 C ATOM 1130 CE2 TYR A 141 57.380 42.115 86.866 1.00 20.70 C ANISOU 1130 CE2 TYR A 141 2517 3366 1983 127 180 -12 C ATOM 1131 CZ TYR A 141 56.785 41.713 85.688 1.00 19.50 C ANISOU 1131 CZ TYR A 141 2214 3226 1971 217 186 -10 C ATOM 1132 OH TYR A 141 56.465 42.645 84.723 1.00 17.68 O ANISOU 1132 OH TYR A 141 1681 3005 2030 337 251 -7 O ATOM 0 H TYR A 141 58.389 36.749 87.463 1.00 17.59 H new ATOM 0 HA TYR A 141 59.713 38.909 88.092 1.00 18.36 H new ATOM 0 HB2 TYR A 141 57.121 38.090 88.682 1.00 18.63 H new ATOM 0 HB3 TYR A 141 57.706 39.225 89.577 1.00 18.63 H new ATOM 0 HD1 TYR A 141 56.638 38.546 86.277 1.00 19.98 H new ATOM 0 HD2 TYR A 141 58.087 41.448 88.626 1.00 20.47 H new ATOM 0 HE1 TYR A 141 56.087 40.120 84.690 1.00 19.19 H new ATOM 0 HE2 TYR A 141 57.572 43.013 87.011 1.00 20.70 H new ATOM 0 HH TYR A 141 55.896 42.320 84.198 1.00 17.68 H new ATOM 1133 N HIS A 142 59.534 36.672 90.328 1.00 18.70 N ANISOU 1133 N HIS A 142 2066 3289 1751 -283 422 299 N ATOM 1134 CA HIS A 142 60.131 36.195 91.588 1.00 19.33 C ANISOU 1134 CA HIS A 142 2147 3417 1781 -230 459 326 C ATOM 1135 C HIS A 142 61.649 36.111 91.498 1.00 17.77 C ANISOU 1135 C HIS A 142 2078 3124 1550 -42 434 344 C ATOM 1136 O HIS A 142 62.354 36.568 92.402 1.00 17.85 O ANISOU 1136 O HIS A 142 2233 3090 1460 12 491 385 O ATOM 1137 CB HIS A 142 59.547 34.847 91.970 1.00 20.69 C ANISOU 1137 CB HIS A 142 2171 3580 2109 -212 521 389 C ATOM 1138 CG HIS A 142 60.208 34.218 93.141 1.00 26.53 C ANISOU 1138 CG HIS A 142 3228 4307 2545 -119 461 491 C ATOM 1139 ND1 HIS A 142 59.848 34.516 94.436 1.00 29.98 N ANISOU 1139 ND1 HIS A 142 3885 4678 2827 -142 473 589 N ATOM 1140 CD2 HIS A 142 61.228 33.330 93.225 1.00 30.21 C ANISOU 1140 CD2 HIS A 142 4033 4736 2708 99 369 538 C ATOM 1141 CE1 HIS A 142 60.609 33.826 95.270 1.00 32.81 C ANISOU 1141 CE1 HIS A 142 4395 5136 2935 47 403 689 C ATOM 1142 NE2 HIS A 142 61.448 33.091 94.557 1.00 32.48 N ANISOU 1142 NE2 HIS A 142 4170 5235 2935 184 345 674 N ATOM 0 H HIS A 142 59.029 36.101 89.930 1.00 18.70 H new ATOM 0 HA HIS A 142 59.915 36.841 92.279 1.00 19.33 H new ATOM 0 HB2 HIS A 142 58.602 34.956 92.162 1.00 20.69 H new ATOM 0 HB3 HIS A 142 59.615 34.248 91.210 1.00 20.69 H new ATOM 0 HD2 HIS A 142 61.692 32.953 92.513 1.00 30.21 H new ATOM 0 HE1 HIS A 142 60.562 33.853 96.198 1.00 32.81 H new ATOM 0 HE2 HIS A 142 62.036 32.551 94.877 1.00 32.48 H new ATOM 1143 N VAL A 143 62.163 35.565 90.388 1.00 15.69 N ANISOU 1143 N VAL A 143 1688 2790 1482 -104 335 371 N ATOM 1144 CA VAL A 143 63.605 35.501 90.179 1.00 16.04 C ANISOU 1144 CA VAL A 143 1717 2747 1631 68 237 341 C ATOM 1145 C VAL A 143 64.201 36.904 90.112 1.00 15.78 C ANISOU 1145 C VAL A 143 1830 2640 1525 92 166 265 C ATOM 1146 O VAL A 143 65.218 37.210 90.732 1.00 15.17 O ANISOU 1146 O VAL A 143 1766 2461 1536 175 147 178 O ATOM 1147 CB VAL A 143 63.938 34.717 88.868 1.00 17.30 C ANISOU 1147 CB VAL A 143 1923 2731 1918 70 286 302 C ATOM 1148 CG1 VAL A 143 65.390 34.881 88.475 1.00 17.16 C ANISOU 1148 CG1 VAL A 143 1767 2778 1976 161 207 291 C ATOM 1149 CG2 VAL A 143 63.534 33.259 89.017 1.00 20.21 C ANISOU 1149 CG2 VAL A 143 2654 2980 2046 -144 442 216 C ATOM 0 H VAL A 143 61.693 35.230 89.751 1.00 15.69 H new ATOM 0 HA VAL A 143 63.997 35.031 90.931 1.00 16.04 H new ATOM 0 HB VAL A 143 63.420 35.093 88.139 1.00 17.30 H new ATOM 0 HG11 VAL A 143 65.563 34.384 87.660 1.00 17.16 H new ATOM 0 HG12 VAL A 143 65.581 35.820 88.327 1.00 17.16 H new ATOM 0 HG13 VAL A 143 65.958 34.544 89.186 1.00 17.16 H new ATOM 0 HG21 VAL A 143 63.744 32.780 88.200 1.00 20.21 H new ATOM 0 HG22 VAL A 143 64.019 32.863 89.758 1.00 20.21 H new ATOM 0 HG23 VAL A 143 62.581 33.203 89.189 1.00 20.21 H new ATOM 1150 N LEU A 144 63.521 37.785 89.379 1.00 17.31 N ANISOU 1150 N LEU A 144 2191 2913 1474 35 165 261 N ATOM 1151 CA LEU A 144 64.008 39.132 89.197 1.00 15.98 C ANISOU 1151 CA LEU A 144 1884 2710 1479 174 147 117 C ATOM 1152 C LEU A 144 64.052 39.869 90.537 1.00 15.58 C ANISOU 1152 C LEU A 144 1783 2700 1436 218 220 158 C ATOM 1153 O LEU A 144 65.028 40.562 90.862 1.00 16.12 O ANISOU 1153 O LEU A 144 1877 2770 1478 113 215 82 O ATOM 1154 CB LEU A 144 63.118 39.868 88.194 1.00 16.47 C ANISOU 1154 CB LEU A 144 1980 2687 1591 173 75 -33 C ATOM 1155 CG LEU A 144 63.514 41.290 87.823 1.00 17.69 C ANISOU 1155 CG LEU A 144 2106 2869 1746 214 195 69 C ATOM 1156 CD1 LEU A 144 64.855 41.351 87.152 1.00 18.36 C ANISOU 1156 CD1 LEU A 144 2130 2884 1961 325 159 85 C ATOM 1157 CD2 LEU A 144 62.430 41.911 86.934 1.00 16.77 C ANISOU 1157 CD2 LEU A 144 2009 2676 1688 380 394 146 C ATOM 0 H LEU A 144 62.777 37.614 88.983 1.00 17.31 H new ATOM 0 HA LEU A 144 64.912 39.102 88.846 1.00 15.98 H new ATOM 0 HB2 LEU A 144 63.086 39.343 87.379 1.00 16.47 H new ATOM 0 HB3 LEU A 144 62.217 39.891 88.552 1.00 16.47 H new ATOM 0 HG LEU A 144 63.591 41.802 88.643 1.00 17.69 H new ATOM 0 HD11 LEU A 144 65.066 42.272 86.934 1.00 18.36 H new ATOM 0 HD12 LEU A 144 65.532 40.997 87.749 1.00 18.36 H new ATOM 0 HD13 LEU A 144 64.834 40.823 86.338 1.00 18.36 H new ATOM 0 HD21 LEU A 144 62.684 42.817 86.699 1.00 16.77 H new ATOM 0 HD22 LEU A 144 62.332 41.383 86.126 1.00 16.77 H new ATOM 0 HD23 LEU A 144 61.587 41.926 87.414 1.00 16.77 H new ATOM 1158 N ASN A 145 62.981 39.716 91.302 1.00 15.80 N ANISOU 1158 N ASN A 145 1882 2756 1364 -33 265 230 N ATOM 1159 CA ASN A 145 62.864 40.303 92.628 1.00 16.94 C ANISOU 1159 CA ASN A 145 2100 2945 1393 140 330 145 C ATOM 1160 C ASN A 145 63.956 39.824 93.576 1.00 17.96 C ANISOU 1160 C ASN A 145 2328 3055 1440 89 234 199 C ATOM 1161 O ASN A 145 64.559 40.634 94.296 1.00 18.10 O ANISOU 1161 O ASN A 145 2421 3098 1358 206 313 173 O ATOM 1162 CB ASN A 145 61.506 40.002 93.242 1.00 19.09 C ANISOU 1162 CB ASN A 145 2422 3400 1432 -18 557 -1 C ATOM 1163 CG ASN A 145 61.202 40.894 94.440 1.00 20.32 C ANISOU 1163 CG ASN A 145 2737 3494 1489 161 686 -28 C ATOM 1164 OD1 ASN A 145 61.077 42.103 94.310 1.00 20.36 O ANISOU 1164 OD1 ASN A 145 2757 3479 1499 144 735 -4 O ATOM 1165 ND2 ASN A 145 61.120 40.305 95.595 1.00 21.02 N ANISOU 1165 ND2 ASN A 145 3142 3368 1476 251 657 -73 N ATOM 0 H ASN A 145 62.291 39.262 91.062 1.00 15.80 H new ATOM 0 HA ASN A 145 62.964 41.260 92.508 1.00 16.94 H new ATOM 0 HB2 ASN A 145 60.816 40.120 92.570 1.00 19.09 H new ATOM 0 HB3 ASN A 145 61.477 39.073 93.518 1.00 19.09 H new ATOM 0 HD21 ASN A 145 60.973 40.768 96.304 1.00 21.02 H new ATOM 0 HD22 ASN A 145 61.213 39.452 95.650 1.00 21.02 H new ATOM 1166 N LYS A 146 64.234 38.521 93.553 1.00 18.62 N ANISOU 1166 N LYS A 146 2263 3171 1642 -220 120 284 N ATOM 1167 CA LYS A 146 65.260 37.970 94.462 1.00 20.26 C ANISOU 1167 CA LYS A 146 2443 3307 1949 -271 88 378 C ATOM 1168 C LYS A 146 66.622 38.586 94.113 1.00 17.76 C ANISOU 1168 C LYS A 146 2301 2852 1595 34 73 390 C ATOM 1169 O LYS A 146 67.409 38.906 95.000 1.00 18.64 O ANISOU 1169 O LYS A 146 2418 3220 1445 66 4 475 O ATOM 1170 CB LYS A 146 65.384 36.462 94.372 1.00 25.13 C ANISOU 1170 CB LYS A 146 3067 3834 2647 -294 182 587 C ATOM 1171 CG LYS A 146 64.165 35.700 94.864 1.00 33.29 C ANISOU 1171 CG LYS A 146 4288 5064 3298 -405 299 964 C ATOM 1172 CD LYS A 146 63.996 35.810 96.374 1.00 45.73 C ANISOU 1172 CD LYS A 146 6736 6790 3851 -192 -38 1129 C ATOM 1173 CE LYS A 146 64.918 34.826 97.085 1.00 53.38 C ANISOU 1173 CE LYS A 146 7900 7958 4424 259 71 1402 C ATOM 1174 NZ LYS A 146 64.469 34.627 98.485 1.00 57.64 N ANISOU 1174 NZ LYS A 146 8527 8576 4797 -643 612 1266 N ATOM 0 H LYS A 146 63.856 37.947 93.036 1.00 18.62 H new ATOM 0 HA LYS A 146 64.985 38.191 95.366 1.00 20.26 H new ATOM 0 HB2 LYS A 146 65.554 36.217 93.449 1.00 25.13 H new ATOM 0 HB3 LYS A 146 66.157 36.181 94.887 1.00 25.13 H new ATOM 0 HG2 LYS A 146 63.371 36.043 94.424 1.00 33.29 H new ATOM 0 HG3 LYS A 146 64.246 34.766 94.615 1.00 33.29 H new ATOM 0 HD2 LYS A 146 64.195 36.715 96.663 1.00 45.73 H new ATOM 0 HD3 LYS A 146 63.074 35.631 96.616 1.00 45.73 H new ATOM 0 HE2 LYS A 146 64.921 33.977 96.615 1.00 53.38 H new ATOM 0 HE3 LYS A 146 65.829 35.160 97.074 1.00 53.38 H new ATOM 0 HZ1 LYS A 146 65.012 34.052 98.892 1.00 57.64 H new ATOM 0 HZ2 LYS A 146 64.485 35.406 98.916 1.00 57.64 H new ATOM 0 HZ3 LYS A 146 63.640 34.304 98.488 1.00 57.64 H new ATOM 1175 N ARG A 147 66.896 38.768 92.836 1.00 16.44 N ANISOU 1175 N ARG A 147 2100 2718 1428 -36 108 328 N ATOM 1176 CA ARG A 147 68.174 39.381 92.467 1.00 16.55 C ANISOU 1176 CA ARG A 147 2131 2822 1337 -76 81 271 C ATOM 1177 C ARG A 147 68.226 40.831 92.932 1.00 17.40 C ANISOU 1177 C ARG A 147 2282 2968 1362 -105 2 209 C ATOM 1178 O ARG A 147 69.232 41.279 93.478 1.00 17.76 O ANISOU 1178 O ARG A 147 2426 2909 1413 34 -124 311 O ATOM 1179 CB ARG A 147 68.387 39.327 90.957 1.00 15.98 C ANISOU 1179 CB ARG A 147 2071 2679 1322 4 -5 276 C ATOM 1180 CG ARG A 147 69.627 40.062 90.476 1.00 16.01 C ANISOU 1180 CG ARG A 147 2029 2633 1420 -98 -120 331 C ATOM 1181 CD ARG A 147 70.908 39.586 91.121 1.00 16.73 C ANISOU 1181 CD ARG A 147 2049 2783 1524 5 -134 396 C ATOM 1182 NE ARG A 147 72.069 40.336 90.621 1.00 17.94 N ANISOU 1182 NE ARG A 147 2282 2810 1725 -89 -157 441 N ATOM 1183 CZ ARG A 147 73.262 40.379 91.216 1.00 18.83 C ANISOU 1183 CZ ARG A 147 2370 2912 1873 -171 -355 495 C ATOM 1184 NH1 ARG A 147 73.488 39.710 92.343 1.00 19.24 N ANISOU 1184 NH1 ARG A 147 2410 3063 1837 -299 -452 468 N ATOM 1185 NH2 ARG A 147 74.252 41.082 90.678 1.00 19.43 N ANISOU 1185 NH2 ARG A 147 2423 3026 1934 -216 -494 627 N ATOM 0 H ARG A 147 66.381 38.555 92.181 1.00 16.44 H new ATOM 0 HA ARG A 147 68.880 38.878 92.904 1.00 16.55 H new ATOM 0 HB2 ARG A 147 68.447 38.399 90.682 1.00 15.98 H new ATOM 0 HB3 ARG A 147 67.609 39.704 90.517 1.00 15.98 H new ATOM 0 HG2 ARG A 147 69.701 39.958 89.514 1.00 16.01 H new ATOM 0 HG3 ARG A 147 69.519 41.010 90.652 1.00 16.01 H new ATOM 0 HD2 ARG A 147 70.845 39.688 92.084 1.00 16.73 H new ATOM 0 HD3 ARG A 147 71.030 38.640 90.943 1.00 16.73 H new ATOM 0 HE ARG A 147 71.972 40.780 89.891 1.00 17.94 H new ATOM 0 HH11 ARG A 147 72.860 39.241 92.698 1.00 19.24 H new ATOM 0 HH12 ARG A 147 74.262 39.746 92.717 1.00 19.24 H new ATOM 0 HH21 ARG A 147 74.125 41.511 89.944 1.00 19.43 H new ATOM 0 HH22 ARG A 147 75.020 41.108 91.064 1.00 19.43 H new ATOM 1186 N LEU A 148 67.146 41.570 92.704 1.00 17.98 N ANISOU 1186 N LEU A 148 2382 3108 1340 -86 -3 89 N ATOM 1187 CA LEU A 148 67.131 42.991 93.020 1.00 18.25 C ANISOU 1187 CA LEU A 148 2561 2972 1403 -61 119 26 C ATOM 1188 C LEU A 148 67.079 43.259 94.527 1.00 20.08 C ANISOU 1188 C LEU A 148 2930 3188 1510 157 116 -25 C ATOM 1189 O LEU A 148 67.411 44.347 94.975 1.00 20.52 O ANISOU 1189 O LEU A 148 2964 3290 1543 -62 -40 -97 O ATOM 1190 CB LEU A 148 65.995 43.710 92.309 1.00 17.70 C ANISOU 1190 CB LEU A 148 2216 3089 1422 -146 241 23 C ATOM 1191 CG LEU A 148 66.203 43.736 90.785 1.00 17.88 C ANISOU 1191 CG LEU A 148 2382 2904 1507 48 304 81 C ATOM 1192 CD1 LEU A 148 64.963 44.234 90.077 1.00 19.38 C ANISOU 1192 CD1 LEU A 148 2638 3133 1593 85 149 21 C ATOM 1193 CD2 LEU A 148 67.411 44.609 90.476 1.00 18.48 C ANISOU 1193 CD2 LEU A 148 2544 2993 1484 137 557 155 C ATOM 0 H LEU A 148 66.414 41.268 92.368 1.00 17.98 H new ATOM 0 HA LEU A 148 67.971 43.349 92.694 1.00 18.25 H new ATOM 0 HB2 LEU A 148 65.155 43.270 92.514 1.00 17.70 H new ATOM 0 HB3 LEU A 148 65.928 44.619 92.642 1.00 17.70 H new ATOM 0 HG LEU A 148 66.367 42.837 90.461 1.00 17.88 H new ATOM 0 HD11 LEU A 148 65.118 44.242 89.119 1.00 19.38 H new ATOM 0 HD12 LEU A 148 64.217 43.647 90.279 1.00 19.38 H new ATOM 0 HD13 LEU A 148 64.757 45.133 90.378 1.00 19.38 H new ATOM 0 HD21 LEU A 148 67.555 44.635 89.517 1.00 18.48 H new ATOM 0 HD22 LEU A 148 67.253 45.508 90.803 1.00 18.48 H new ATOM 0 HD23 LEU A 148 68.196 44.241 90.910 1.00 18.48 H new ATOM 1194 N GLU A 149 66.703 42.248 95.303 1.00 21.24 N ANISOU 1194 N GLU A 149 3010 3478 1584 115 226 1 N ATOM 1195 CA GLU A 149 66.831 42.330 96.757 1.00 24.58 C ANISOU 1195 CA GLU A 149 3558 4041 1740 -96 164 34 C ATOM 1196 C GLU A 149 68.290 42.252 97.200 1.00 27.15 C ANISOU 1196 C GLU A 149 3783 4523 2011 -124 -123 18 C ATOM 1197 O GLU A 149 68.612 42.632 98.325 1.00 29.93 O ANISOU 1197 O GLU A 149 4142 4890 2340 -237 -382 46 O ATOM 1198 CB GLU A 149 66.063 41.184 97.438 1.00 24.98 C ANISOU 1198 CB GLU A 149 3595 4024 1871 -69 342 225 C ATOM 1199 CG GLU A 149 64.564 41.350 97.437 1.00 27.22 C ANISOU 1199 CG GLU A 149 3658 4518 2168 -155 644 373 C ATOM 1200 CD GLU A 149 63.840 40.193 98.133 1.00 31.46 C ANISOU 1200 CD GLU A 149 4269 5044 2639 -250 823 367 C ATOM 1201 OE1 GLU A 149 64.448 39.104 98.314 1.00 33.63 O ANISOU 1201 OE1 GLU A 149 4662 5095 3020 -412 821 785 O ATOM 1202 OE2 GLU A 149 62.654 40.379 98.514 1.00 33.95 O ANISOU 1202 OE2 GLU A 149 4366 5722 2811 -612 888 -145 O ATOM 0 H GLU A 149 66.373 41.509 95.011 1.00 21.24 H new ATOM 0 HA GLU A 149 66.460 43.187 97.020 1.00 24.58 H new ATOM 0 HB2 GLU A 149 66.285 40.351 96.993 1.00 24.98 H new ATOM 0 HB3 GLU A 149 66.368 41.106 98.355 1.00 24.98 H new ATOM 0 HG2 GLU A 149 64.334 42.183 97.879 1.00 27.22 H new ATOM 0 HG3 GLU A 149 64.251 41.419 96.522 1.00 27.22 H new ATOM 1203 N ASN A 150 69.158 41.760 96.321 1.00 25.76 N ANISOU 1203 N ASN A 150 3511 4214 2063 -255 -168 172 N ATOM 1204 CA ASN A 150 70.528 41.435 96.703 1.00 24.94 C ANISOU 1204 CA ASN A 150 3453 4036 1987 -260 -282 332 C ATOM 1205 C ASN A 150 71.530 42.410 96.099 1.00 23.94 C ANISOU 1205 C ASN A 150 3340 3946 1811 -257 -278 413 C ATOM 1206 O ASN A 150 72.696 42.438 96.480 1.00 25.16 O ANISOU 1206 O ASN A 150 3582 4156 1822 -280 -424 520 O ATOM 1207 CB ASN A 150 70.876 40.006 96.291 1.00 25.07 C ANISOU 1207 CB ASN A 150 3194 3677 2655 -201 -347 381 C ATOM 1208 CG ASN A 150 70.117 38.968 97.090 1.00 25.42 C ANISOU 1208 CG ASN A 150 3236 3993 2429 -225 -343 394 C ATOM 1209 OD1 ASN A 150 69.430 39.294 98.056 1.00 25.08 O ANISOU 1209 OD1 ASN A 150 3181 4115 2235 -230 -315 429 O ATOM 1210 ND2 ASN A 150 70.235 37.709 96.689 1.00 25.20 N ANISOU 1210 ND2 ASN A 150 3306 4022 2248 -259 -367 373 N ATOM 0 H ASN A 150 68.972 41.607 95.495 1.00 25.76 H new ATOM 0 HA ASN A 150 70.583 41.511 97.668 1.00 24.94 H new ATOM 0 HB2 ASN A 150 70.682 39.889 95.348 1.00 25.07 H new ATOM 0 HB3 ASN A 150 71.829 39.863 96.404 1.00 25.07 H new ATOM 0 HD21 ASN A 150 69.822 37.083 97.110 1.00 25.20 H new ATOM 0 HD22 ASN A 150 70.725 37.519 96.008 1.00 25.20 H new ATOM 1211 N SER A 151 71.059 43.211 95.152 1.00 21.31 N ANISOU 1211 N SER A 151 2837 3561 1700 -147 -135 331 N ATOM 1212 CA SER A 151 71.911 44.136 94.416 1.00 19.47 C ANISOU 1212 CA SER A 151 2629 3092 1678 -217 -158 203 C ATOM 1213 C SER A 151 71.070 45.309 93.935 1.00 19.73 C ANISOU 1213 C SER A 151 2753 3078 1667 -88 -127 13 C ATOM 1214 O SER A 151 69.927 45.113 93.550 1.00 19.67 O ANISOU 1214 O SER A 151 2810 3151 1514 -253 -113 172 O ATOM 1215 CB SER A 151 72.534 43.411 93.195 1.00 19.85 C ANISOU 1215 CB SER A 151 2638 3137 1767 -158 -194 290 C ATOM 1216 OG SER A 151 73.441 44.260 92.494 1.00 20.53 O ANISOU 1216 OG SER A 151 2751 3166 1885 -221 -202 319 O ATOM 0 H SER A 151 70.232 43.234 94.917 1.00 21.31 H new ATOM 0 HA SER A 151 72.621 44.456 94.994 1.00 19.47 H new ATOM 0 HB2 SER A 151 72.999 42.613 93.493 1.00 19.85 H new ATOM 0 HB3 SER A 151 71.830 43.121 92.594 1.00 19.85 H new ATOM 0 HG SER A 151 73.117 44.459 91.745 1.00 20.53 H new ATOM 1217 N PRO A 152 71.644 46.523 93.905 1.00 21.90 N ANISOU 1217 N PRO A 152 3127 3290 1905 -163 -118 -253 N ATOM 1218 CA PRO A 152 70.901 47.695 93.445 1.00 22.33 C ANISOU 1218 CA PRO A 152 3277 3379 1830 -262 -125 -245 C ATOM 1219 C PRO A 152 70.470 47.553 91.996 1.00 19.75 C ANISOU 1219 C PRO A 152 2859 3046 1600 -200 -11 -208 C ATOM 1220 O PRO A 152 69.392 47.970 91.608 1.00 19.89 O ANISOU 1220 O PRO A 152 2880 3051 1627 -177 160 -178 O ATOM 1221 CB PRO A 152 71.914 48.832 93.554 1.00 25.33 C ANISOU 1221 CB PRO A 152 3932 3531 2162 -471 -360 -357 C ATOM 1222 CG PRO A 152 72.992 48.334 94.415 1.00 26.22 C ANISOU 1222 CG PRO A 152 3791 3865 2306 -392 -491 -439 C ATOM 1223 CD PRO A 152 73.022 46.859 94.292 1.00 25.16 C ANISOU 1223 CD PRO A 152 3513 3734 2313 -246 -319 -443 C ATOM 0 HA PRO A 152 70.092 47.832 93.963 1.00 22.33 H new ATOM 0 HB2 PRO A 152 72.254 49.079 92.680 1.00 25.33 H new ATOM 0 HB3 PRO A 152 71.505 49.626 93.934 1.00 25.33 H new ATOM 0 HG2 PRO A 152 73.843 48.715 94.149 1.00 26.22 H new ATOM 0 HG3 PRO A 152 72.840 48.596 95.337 1.00 26.22 H new ATOM 0 HD2 PRO A 152 73.662 46.569 93.624 1.00 25.16 H new ATOM 0 HD3 PRO A 152 73.272 46.435 95.128 1.00 25.16 H new ATOM 1224 N TRP A 153 71.354 46.972 91.207 1.00 18.14 N ANISOU 1224 N TRP A 153 2508 2800 1586 -164 -126 -215 N ATOM 1225 CA TRP A 153 71.114 46.782 89.786 1.00 17.12 C ANISOU 1225 CA TRP A 153 2260 2701 1544 -89 -236 -49 C ATOM 1226 C TRP A 153 71.414 45.332 89.425 1.00 16.78 C ANISOU 1226 C TRP A 153 2277 2572 1525 -123 -159 35 C ATOM 1227 O TRP A 153 72.091 44.630 90.182 1.00 16.25 O ANISOU 1227 O TRP A 153 2112 2572 1489 -54 -101 100 O ATOM 1228 CB TRP A 153 72.012 47.724 88.965 1.00 17.63 C ANISOU 1228 CB TRP A 153 2396 2692 1610 -153 -312 3 C ATOM 1229 CG TRP A 153 71.881 49.197 89.268 1.00 19.43 C ANISOU 1229 CG TRP A 153 2775 2770 1837 -167 -240 -166 C ATOM 1230 CD1 TRP A 153 72.801 49.991 89.885 1.00 19.69 C ANISOU 1230 CD1 TRP A 153 2836 2689 1957 -335 -199 -244 C ATOM 1231 CD2 TRP A 153 70.776 50.059 88.943 1.00 20.83 C ANISOU 1231 CD2 TRP A 153 3050 2779 2086 -41 -174 -249 C ATOM 1232 NE1 TRP A 153 72.344 51.282 89.970 1.00 20.60 N ANISOU 1232 NE1 TRP A 153 3020 2690 2116 -231 -196 -299 N ATOM 1233 CE2 TRP A 153 71.116 51.357 89.373 1.00 21.97 C ANISOU 1233 CE2 TRP A 153 3306 2843 2199 -33 -196 -349 C ATOM 1234 CE3 TRP A 153 69.561 49.861 88.303 1.00 21.25 C ANISOU 1234 CE3 TRP A 153 3023 2935 2117 251 -183 -173 C ATOM 1235 CZ2 TRP A 153 70.257 52.451 89.205 1.00 23.10 C ANISOU 1235 CZ2 TRP A 153 3528 2950 2298 1 -282 -387 C ATOM 1236 CZ3 TRP A 153 68.713 50.934 88.145 1.00 22.60 C ANISOU 1236 CZ3 TRP A 153 3428 2870 2288 308 -255 -293 C ATOM 1237 CH2 TRP A 153 69.067 52.218 88.577 1.00 22.96 C ANISOU 1237 CH2 TRP A 153 3398 2912 2415 179 -297 -374 C ATOM 0 H TRP A 153 72.114 46.675 91.479 1.00 18.14 H new ATOM 0 HA TRP A 153 70.188 46.986 89.583 1.00 17.12 H new ATOM 0 HB2 TRP A 153 72.936 47.464 89.105 1.00 17.63 H new ATOM 0 HB3 TRP A 153 71.819 47.587 88.024 1.00 17.63 H new ATOM 0 HD1 TRP A 153 73.624 49.698 90.204 1.00 19.69 H new ATOM 0 HE1 TRP A 153 72.762 51.937 90.339 1.00 20.60 H new ATOM 0 HE3 TRP A 153 69.324 49.019 87.987 1.00 21.25 H new ATOM 0 HZ2 TRP A 153 70.487 53.299 89.508 1.00 23.10 H new ATOM 0 HZ3 TRP A 153 67.885 50.803 87.742 1.00 22.60 H new ATOM 0 HH2 TRP A 153 68.481 52.925 88.434 1.00 22.96 H new ATOM 1238 N LEU A 154 70.925 44.880 88.261 1.00 17.12 N ANISOU 1238 N LEU A 154 2402 2509 1592 -140 -82 62 N ATOM 1239 CA LEU A 154 71.046 43.469 87.923 1.00 17.39 C ANISOU 1239 CA LEU A 154 2307 2629 1672 -112 -64 136 C ATOM 1240 C LEU A 154 72.486 42.990 87.850 1.00 17.48 C ANISOU 1240 C LEU A 154 2214 2671 1757 -69 -132 141 C ATOM 1241 O LEU A 154 72.804 41.894 88.320 1.00 18.15 O ANISOU 1241 O LEU A 154 2314 2739 1843 -32 -189 203 O ATOM 1242 CB LEU A 154 70.327 43.144 86.614 1.00 16.46 C ANISOU 1242 CB LEU A 154 2032 2550 1673 -93 -47 167 C ATOM 1243 CG LEU A 154 68.820 43.243 86.754 1.00 15.93 C ANISOU 1243 CG LEU A 154 1956 2412 1684 27 -3 117 C ATOM 1244 CD1 LEU A 154 68.165 43.125 85.396 1.00 15.67 C ANISOU 1244 CD1 LEU A 154 1845 2482 1625 259 45 99 C ATOM 1245 CD2 LEU A 154 68.297 42.200 87.723 1.00 17.35 C ANISOU 1245 CD2 LEU A 154 2196 2678 1719 -41 15 111 C ATOM 0 H LEU A 154 70.530 45.366 87.671 1.00 17.12 H new ATOM 0 HA LEU A 154 70.619 42.991 88.651 1.00 17.39 H new ATOM 0 HB2 LEU A 154 70.627 43.753 85.921 1.00 16.46 H new ATOM 0 HB3 LEU A 154 70.566 42.249 86.328 1.00 16.46 H new ATOM 0 HG LEU A 154 68.595 44.112 87.121 1.00 15.93 H new ATOM 0 HD11 LEU A 154 67.202 43.189 85.494 1.00 15.67 H new ATOM 0 HD12 LEU A 154 68.479 43.841 84.822 1.00 15.67 H new ATOM 0 HD13 LEU A 154 68.393 42.269 85.000 1.00 15.67 H new ATOM 0 HD21 LEU A 154 67.333 42.281 87.797 1.00 17.35 H new ATOM 0 HD22 LEU A 154 68.522 41.314 87.398 1.00 17.35 H new ATOM 0 HD23 LEU A 154 68.701 42.336 88.594 1.00 17.35 H new ATOM 1246 N GLY A 155 73.371 43.808 87.303 1.00 16.72 N ANISOU 1246 N GLY A 155 2101 2455 1798 -101 -196 112 N ATOM 1247 CA GLY A 155 74.730 43.358 87.037 1.00 17.72 C ANISOU 1247 CA GLY A 155 2091 2753 1889 -173 -306 186 C ATOM 1248 C GLY A 155 75.733 43.650 88.138 1.00 18.63 C ANISOU 1248 C GLY A 155 2106 2936 2038 -307 -332 182 C ATOM 1249 O GLY A 155 76.883 43.192 88.065 1.00 18.71 O ANISOU 1249 O GLY A 155 2199 2751 2159 -207 -346 280 O ATOM 0 H GLY A 155 73.208 44.622 87.079 1.00 16.72 H new ATOM 0 HA2 GLY A 155 74.714 42.401 86.879 1.00 17.72 H new ATOM 0 HA3 GLY A 155 75.039 43.775 86.218 1.00 17.72 H new ATOM 1250 N GLY A 156 75.291 44.382 89.161 1.00 18.98 N ANISOU 1250 N GLY A 156 2209 2901 2100 -248 -309 105 N ATOM 1251 CA GLY A 156 76.156 44.838 90.240 1.00 20.02 C ANISOU 1251 CA GLY A 156 2461 3006 2140 -339 -375 92 C ATOM 1252 C GLY A 156 75.763 46.222 90.723 1.00 21.31 C ANISOU 1252 C GLY A 156 2741 3186 2171 -439 -499 -2 C ATOM 1253 O GLY A 156 74.580 46.537 90.833 1.00 21.53 O ANISOU 1253 O GLY A 156 2894 3113 2173 -199 -438 -11 O ATOM 0 H GLY A 156 74.471 44.628 89.246 1.00 18.98 H new ATOM 0 HA2 GLY A 156 76.111 44.211 90.979 1.00 20.02 H new ATOM 0 HA3 GLY A 156 77.077 44.850 89.935 1.00 20.02 H new ATOM 1254 N GLU A 157 76.769 47.060 90.999 1.00 22.62 N ANISOU 1254 N GLU A 157 2952 3383 2260 -551 -673 -55 N ATOM 1255 CA GLU A 157 76.539 48.369 91.584 1.00 22.81 C ANISOU 1255 CA GLU A 157 3007 3344 2317 -598 -737 -78 C ATOM 1256 C GLU A 157 76.205 49.437 90.557 1.00 21.98 C ANISOU 1256 C GLU A 157 3064 3131 2158 -436 -606 -14 C ATOM 1257 O GLU A 157 75.911 50.568 90.944 1.00 23.68 O ANISOU 1257 O GLU A 157 3429 3423 2146 -329 -515 -37 O ATOM 1258 CB GLU A 157 77.787 48.809 92.379 1.00 26.28 C ANISOU 1258 CB GLU A 157 3543 3778 2665 -778 -897 -213 C ATOM 1259 CG GLU A 157 78.102 47.891 93.546 1.00 32.49 C ANISOU 1259 CG GLU A 157 4576 4410 3360 -644 -786 -180 C ATOM 1260 CD GLU A 157 77.041 47.942 94.644 1.00 40.20 C ANISOU 1260 CD GLU A 157 5702 5398 4173 -885 -436 180 C ATOM 1261 OE1 GLU A 157 76.593 49.064 95.017 1.00 40.50 O ANISOU 1261 OE1 GLU A 157 5430 5724 4233 -609 -80 -43 O ATOM 1262 OE2 GLU A 157 76.665 46.860 95.145 1.00 45.71 O ANISOU 1262 OE2 GLU A 157 6963 5541 4864 -779 -608 867 O ATOM 0 H GLU A 157 77.597 46.880 90.850 1.00 22.62 H new ATOM 0 HA GLU A 157 75.768 48.279 92.166 1.00 22.81 H new ATOM 0 HB2 GLU A 157 78.551 48.838 91.782 1.00 26.28 H new ATOM 0 HB3 GLU A 157 77.652 49.710 92.711 1.00 26.28 H new ATOM 0 HG2 GLU A 157 78.183 46.980 93.223 1.00 32.49 H new ATOM 0 HG3 GLU A 157 78.962 48.136 93.922 1.00 32.49 H new ATOM 1263 N ASN A 158 76.279 49.093 89.268 1.00 20.21 N ANISOU 1263 N ASN A 158 2833 2803 2041 -362 -609 -9 N ATOM 1264 CA ASN A 158 76.077 50.073 88.197 1.00 20.03 C ANISOU 1264 CA ASN A 158 2720 2806 2086 -386 -515 -57 C ATOM 1265 C ASN A 158 74.942 49.688 87.271 1.00 18.84 C ANISOU 1265 C ASN A 158 2597 2579 1981 -280 -402 -98 C ATOM 1266 O ASN A 158 74.803 48.544 86.881 1.00 18.13 O ANISOU 1266 O ASN A 158 2461 2498 1929 59 -343 -18 O ATOM 1267 CB ASN A 158 77.348 50.257 87.371 1.00 20.71 C ANISOU 1267 CB ASN A 158 2737 2789 2342 -622 -567 -114 C ATOM 1268 CG ASN A 158 78.538 50.601 88.221 1.00 23.32 C ANISOU 1268 CG ASN A 158 2947 3184 2728 -609 -740 -108 C ATOM 1269 OD1 ASN A 158 78.556 51.624 88.859 1.00 23.46 O ANISOU 1269 OD1 ASN A 158 3013 3119 2782 -658 -827 -316 O ATOM 1270 ND2 ASN A 158 79.534 49.721 88.247 1.00 25.85 N ANISOU 1270 ND2 ASN A 158 3078 3804 2940 -415 -800 174 N ATOM 0 H ASN A 158 76.446 48.295 88.993 1.00 20.21 H new ATOM 0 HA ASN A 158 75.847 50.907 88.635 1.00 20.03 H new ATOM 0 HB2 ASN A 158 77.531 49.442 86.877 1.00 20.71 H new ATOM 0 HB3 ASN A 158 77.207 50.959 86.717 1.00 20.71 H new ATOM 0 HD21 ASN A 158 80.228 49.871 88.733 1.00 25.85 H new ATOM 0 HD22 ASN A 158 79.485 49.002 87.778 1.00 25.85 H new ATOM 1271 N TYR A 159 74.115 50.678 86.942 1.00 19.22 N ANISOU 1271 N TYR A 159 2789 2558 1954 -194 -356 -227 N ATOM 1272 CA TYR A 159 73.098 50.556 85.931 1.00 17.95 C ANISOU 1272 CA TYR A 159 2613 2312 1896 -74 -232 -229 C ATOM 1273 C TYR A 159 73.764 50.068 84.647 1.00 15.97 C ANISOU 1273 C TYR A 159 2175 2122 1770 -90 -248 -24 C ATOM 1274 O TYR A 159 74.848 50.525 84.298 1.00 15.35 O ANISOU 1274 O TYR A 159 2155 1924 1752 -286 -345 43 O ATOM 1275 CB TYR A 159 72.465 51.927 85.694 1.00 17.97 C ANISOU 1275 CB TYR A 159 2636 2218 1972 11 -66 -340 C ATOM 1276 CG TYR A 159 71.274 51.999 84.785 1.00 19.05 C ANISOU 1276 CG TYR A 159 2763 2368 2109 -104 -21 -238 C ATOM 1277 CD1 TYR A 159 70.140 51.249 85.021 1.00 19.64 C ANISOU 1277 CD1 TYR A 159 2839 2466 2156 -156 -18 -191 C ATOM 1278 CD2 TYR A 159 71.232 52.896 83.751 1.00 20.17 C ANISOU 1278 CD2 TYR A 159 2995 2498 2169 -165 -20 -65 C ATOM 1279 CE1 TYR A 159 69.034 51.361 84.222 1.00 20.15 C ANISOU 1279 CE1 TYR A 159 2858 2592 2206 77 30 -163 C ATOM 1280 CE2 TYR A 159 70.114 53.015 82.941 1.00 20.85 C ANISOU 1280 CE2 TYR A 159 3024 2625 2274 -89 7 -33 C ATOM 1281 CZ TYR A 159 69.022 52.240 83.179 1.00 20.96 C ANISOU 1281 CZ TYR A 159 2929 2687 2349 71 49 -230 C ATOM 1282 OH TYR A 159 67.897 52.391 82.408 1.00 22.43 O ANISOU 1282 OH TYR A 159 3015 3100 2408 412 53 -459 O ATOM 0 H TYR A 159 74.139 51.453 87.315 1.00 19.22 H new ATOM 0 HA TYR A 159 72.410 49.931 86.208 1.00 17.95 H new ATOM 0 HB2 TYR A 159 72.205 52.288 86.556 1.00 17.97 H new ATOM 0 HB3 TYR A 159 73.149 52.514 85.336 1.00 17.97 H new ATOM 0 HD1 TYR A 159 70.127 50.656 85.737 1.00 19.64 H new ATOM 0 HD2 TYR A 159 71.970 53.437 83.589 1.00 20.17 H new ATOM 0 HE1 TYR A 159 68.286 50.835 84.391 1.00 20.15 H new ATOM 0 HE2 TYR A 159 70.110 53.623 82.237 1.00 20.85 H new ATOM 0 HH TYR A 159 68.005 53.032 81.876 1.00 22.43 H new ATOM 1283 N SER A 160 73.118 49.137 83.957 1.00 14.52 N ANISOU 1283 N SER A 160 1925 1913 1679 -94 -147 56 N ATOM 1284 CA SER A 160 73.714 48.520 82.782 1.00 14.00 C ANISOU 1284 CA SER A 160 1828 1886 1607 -88 -160 23 C ATOM 1285 C SER A 160 72.681 48.085 81.759 1.00 13.98 C ANISOU 1285 C SER A 160 1652 2091 1569 -53 -127 -33 C ATOM 1286 O SER A 160 71.462 48.239 81.959 1.00 13.36 O ANISOU 1286 O SER A 160 1653 1915 1508 -4 -133 -112 O ATOM 1287 CB SER A 160 74.531 47.287 83.179 1.00 13.29 C ANISOU 1287 CB SER A 160 1539 1882 1628 -79 -194 20 C ATOM 1288 OG SER A 160 73.616 46.198 83.422 1.00 13.64 O ANISOU 1288 OG SER A 160 1662 1892 1628 -53 -90 122 O ATOM 0 H SER A 160 72.332 48.848 84.153 1.00 14.52 H new ATOM 0 HA SER A 160 74.280 49.199 82.383 1.00 14.00 H new ATOM 0 HB2 SER A 160 75.155 47.053 82.474 1.00 13.29 H new ATOM 0 HB3 SER A 160 75.056 47.471 83.973 1.00 13.29 H new ATOM 0 HG SER A 160 73.433 46.163 84.241 1.00 13.64 H new ATOM 1289 N ILE A 161 73.176 47.540 80.650 1.00 13.86 N ANISOU 1289 N ILE A 161 1571 2057 1638 15 -73 -22 N ATOM 1290 CA ILE A 161 72.298 47.067 79.601 1.00 13.14 C ANISOU 1290 CA ILE A 161 1575 1795 1623 19 29 15 C ATOM 1291 C ILE A 161 71.388 45.953 80.051 1.00 12.96 C ANISOU 1291 C ILE A 161 1458 1913 1555 126 74 27 C ATOM 1292 O ILE A 161 70.361 45.734 79.428 1.00 13.47 O ANISOU 1292 O ILE A 161 1546 2000 1571 326 86 4 O ATOM 1293 CB ILE A 161 73.066 46.612 78.343 1.00 13.04 C ANISOU 1293 CB ILE A 161 1485 1843 1625 -40 52 59 C ATOM 1294 CG1 ILE A 161 74.120 45.576 78.691 1.00 13.04 C ANISOU 1294 CG1 ILE A 161 1456 1779 1718 -86 107 121 C ATOM 1295 CG2 ILE A 161 73.682 47.836 77.683 1.00 13.47 C ANISOU 1295 CG2 ILE A 161 1678 1860 1579 -37 29 48 C ATOM 1296 CD1 ILE A 161 74.892 45.076 77.464 1.00 13.28 C ANISOU 1296 CD1 ILE A 161 1450 1826 1768 -32 138 108 C ATOM 0 H ILE A 161 74.015 47.438 80.492 1.00 13.86 H new ATOM 0 HA ILE A 161 71.753 47.837 79.375 1.00 13.14 H new ATOM 0 HB ILE A 161 72.454 46.187 77.722 1.00 13.04 H new ATOM 0 HG12 ILE A 161 74.745 45.958 79.327 1.00 13.04 H new ATOM 0 HG13 ILE A 161 73.694 44.822 79.129 1.00 13.04 H new ATOM 0 HG21 ILE A 161 74.169 47.565 76.889 1.00 13.47 H new ATOM 0 HG22 ILE A 161 72.980 48.458 77.435 1.00 13.47 H new ATOM 0 HG23 ILE A 161 74.290 48.267 78.304 1.00 13.47 H new ATOM 0 HD11 ILE A 161 75.550 44.419 77.741 1.00 13.28 H new ATOM 0 HD12 ILE A 161 74.274 44.670 76.836 1.00 13.28 H new ATOM 0 HD13 ILE A 161 75.341 45.823 77.038 1.00 13.28 H new ATOM 1297 N ALA A 162 71.752 45.244 81.121 1.00 11.74 N ANISOU 1297 N ALA A 162 1208 1745 1506 107 30 49 N ATOM 1298 CA ALA A 162 70.811 44.262 81.676 1.00 12.05 C ANISOU 1298 CA ALA A 162 1286 1784 1507 119 10 97 C ATOM 1299 C ALA A 162 69.546 44.947 82.233 1.00 12.44 C ANISOU 1299 C ALA A 162 1415 1818 1493 202 20 18 C ATOM 1300 O ALA A 162 68.440 44.465 82.008 1.00 12.31 O ANISOU 1300 O ALA A 162 1310 1861 1508 388 -37 89 O ATOM 1301 CB ALA A 162 71.464 43.411 82.748 1.00 13.59 C ANISOU 1301 CB ALA A 162 1623 2010 1530 41 -5 238 C ATOM 0 H ALA A 162 72.507 45.309 81.528 1.00 11.74 H new ATOM 0 HA ALA A 162 70.546 43.680 80.947 1.00 12.05 H new ATOM 0 HB1 ALA A 162 70.819 42.774 83.094 1.00 13.59 H new ATOM 0 HB2 ALA A 162 72.217 42.933 82.368 1.00 13.59 H new ATOM 0 HB3 ALA A 162 71.774 43.981 83.469 1.00 13.59 H new ATOM 1302 N ASP A 163 69.711 46.019 82.986 1.00 12.89 N ANISOU 1302 N ASP A 163 1518 1878 1500 207 52 -78 N ATOM 1303 CA ASP A 163 68.533 46.728 83.521 1.00 13.18 C ANISOU 1303 CA ASP A 163 1591 1887 1529 169 20 -70 C ATOM 1304 C ASP A 163 67.725 47.337 82.378 1.00 13.27 C ANISOU 1304 C ASP A 163 1599 1946 1498 293 1 -69 C ATOM 1305 O ASP A 163 66.495 47.266 82.366 1.00 13.38 O ANISOU 1305 O ASP A 163 1612 1957 1513 187 1 -124 O ATOM 1306 CB ASP A 163 68.951 47.822 84.485 1.00 14.66 C ANISOU 1306 CB ASP A 163 1858 2129 1583 150 -35 -33 C ATOM 1307 CG ASP A 163 69.859 47.298 85.592 1.00 16.00 C ANISOU 1307 CG ASP A 163 2043 2399 1637 134 -40 33 C ATOM 1308 OD1 ASP A 163 69.342 46.688 86.552 1.00 14.88 O ANISOU 1308 OD1 ASP A 163 1852 2206 1597 223 21 -30 O ATOM 1309 OD2 ASP A 163 71.087 47.504 85.471 1.00 15.63 O ANISOU 1309 OD2 ASP A 163 1969 2225 1743 85 -23 117 O ATOM 0 H ASP A 163 70.472 46.356 83.202 1.00 12.89 H new ATOM 0 HA ASP A 163 67.986 46.085 83.999 1.00 13.18 H new ATOM 0 HB2 ASP A 163 69.410 48.523 83.997 1.00 14.66 H new ATOM 0 HB3 ASP A 163 68.161 48.223 84.880 1.00 14.66 H new ATOM 1310 N ILE A 164 68.441 47.946 81.428 1.00 12.84 N ANISOU 1310 N ILE A 164 1529 1866 1482 280 -6 -59 N ATOM 1311 CA ILE A 164 67.814 48.569 80.288 1.00 12.66 C ANISOU 1311 CA ILE A 164 1557 1730 1523 321 71 -85 C ATOM 1312 C ILE A 164 66.993 47.551 79.514 1.00 12.74 C ANISOU 1312 C ILE A 164 1514 1843 1484 263 83 -41 C ATOM 1313 O ILE A 164 65.874 47.853 79.081 1.00 12.71 O ANISOU 1313 O ILE A 164 1566 1797 1468 382 52 11 O ATOM 1314 CB ILE A 164 68.852 49.238 79.380 1.00 13.41 C ANISOU 1314 CB ILE A 164 1634 1791 1670 486 51 -53 C ATOM 1315 CG1 ILE A 164 69.485 50.440 80.073 1.00 15.39 C ANISOU 1315 CG1 ILE A 164 1971 1987 1891 272 45 -22 C ATOM 1316 CG2 ILE A 164 68.218 49.666 78.063 1.00 14.86 C ANISOU 1316 CG2 ILE A 164 2037 1981 1628 455 47 -22 C ATOM 1317 CD1 ILE A 164 70.715 50.994 79.387 1.00 17.04 C ANISOU 1317 CD1 ILE A 164 2344 2065 2065 400 240 -105 C ATOM 0 H ILE A 164 69.299 48.003 81.436 1.00 12.84 H new ATOM 0 HA ILE A 164 67.218 49.262 80.613 1.00 12.66 H new ATOM 0 HB ILE A 164 69.548 48.589 79.193 1.00 13.41 H new ATOM 0 HG12 ILE A 164 68.822 51.145 80.139 1.00 15.39 H new ATOM 0 HG13 ILE A 164 69.722 50.187 80.979 1.00 15.39 H new ATOM 0 HG21 ILE A 164 68.889 50.087 77.502 1.00 14.86 H new ATOM 0 HG22 ILE A 164 67.859 48.888 77.609 1.00 14.86 H new ATOM 0 HG23 ILE A 164 67.502 50.297 78.238 1.00 14.86 H new ATOM 0 HD11 ILE A 164 71.053 51.752 79.890 1.00 17.04 H new ATOM 0 HD12 ILE A 164 71.398 50.307 79.342 1.00 17.04 H new ATOM 0 HD13 ILE A 164 70.484 51.279 78.489 1.00 17.04 H new ATOM 1318 N ALA A 165 67.532 46.357 79.315 1.00 12.60 N ANISOU 1318 N ALA A 165 1485 1805 1497 290 81 -16 N ATOM 1319 CA ALA A 165 66.778 45.317 78.597 1.00 12.28 C ANISOU 1319 CA ALA A 165 1329 1821 1514 312 84 7 C ATOM 1320 C ALA A 165 65.495 44.896 79.342 1.00 12.26 C ANISOU 1320 C ALA A 165 1315 1883 1459 327 150 1 C ATOM 1321 O ALA A 165 64.455 44.655 78.725 1.00 12.43 O ANISOU 1321 O ALA A 165 1385 1873 1464 259 161 -11 O ATOM 1322 CB ALA A 165 67.661 44.091 78.354 1.00 11.95 C ANISOU 1322 CB ALA A 165 1291 1686 1564 302 9 15 C ATOM 0 H ALA A 165 68.317 46.123 79.578 1.00 12.60 H new ATOM 0 HA ALA A 165 66.509 45.701 77.748 1.00 12.28 H new ATOM 0 HB1 ALA A 165 67.152 43.414 77.881 1.00 11.95 H new ATOM 0 HB2 ALA A 165 68.431 44.347 77.822 1.00 11.95 H new ATOM 0 HB3 ALA A 165 67.960 43.734 79.205 1.00 11.95 H new ATOM 1323 N CYS A 166 65.576 44.785 80.660 1.00 12.06 N ANISOU 1323 N CYS A 166 1286 1914 1381 307 178 -25 N ATOM 1324 CA CYS A 166 64.426 44.285 81.419 1.00 11.83 C ANISOU 1324 CA CYS A 166 1214 1916 1364 347 228 -46 C ATOM 1325 C CYS A 166 63.324 45.337 81.624 1.00 12.34 C ANISOU 1325 C CYS A 166 1318 1994 1376 415 289 -96 C ATOM 1326 O CYS A 166 62.162 44.980 81.707 1.00 13.08 O ANISOU 1326 O CYS A 166 1285 2254 1432 521 272 -108 O ATOM 1327 CB CYS A 166 64.864 43.786 82.788 1.00 11.90 C ANISOU 1327 CB CYS A 166 1098 2009 1414 222 211 -12 C ATOM 1328 SG CYS A 166 65.863 42.267 82.712 1.00 13.35 S ANISOU 1328 SG CYS A 166 1461 2164 1449 289 165 1 S ATOM 0 H CYS A 166 66.267 44.987 81.130 1.00 12.06 H new ATOM 0 HA CYS A 166 64.058 43.563 80.886 1.00 11.83 H new ATOM 0 HB2 CYS A 166 65.376 44.481 83.230 1.00 11.90 H new ATOM 0 HB3 CYS A 166 64.078 43.622 83.333 1.00 11.90 H new ATOM 0 HG CYS A 166 66.172 41.935 83.823 1.00 13.35 H new ATOM 1329 N TRP A 167 63.698 46.593 81.768 1.00 12.47 N ANISOU 1329 N TRP A 167 1417 1916 1404 447 353 -108 N ATOM 1330 CA TRP A 167 62.755 47.606 82.256 1.00 13.09 C ANISOU 1330 CA TRP A 167 1482 2036 1455 522 354 -114 C ATOM 1331 C TRP A 167 61.495 47.743 81.402 1.00 13.55 C ANISOU 1331 C TRP A 167 1453 2198 1496 484 301 -105 C ATOM 1332 O TRP A 167 60.393 47.804 81.928 1.00 13.40 O ANISOU 1332 O TRP A 167 1439 2237 1417 718 285 -140 O ATOM 1333 CB TRP A 167 63.457 48.975 82.443 1.00 13.97 C ANISOU 1333 CB TRP A 167 1767 2004 1538 581 347 -221 C ATOM 1334 CG TRP A 167 62.535 49.982 83.044 1.00 14.60 C ANISOU 1334 CG TRP A 167 1811 2114 1622 617 296 -295 C ATOM 1335 CD1 TRP A 167 62.300 50.173 84.378 1.00 15.18 C ANISOU 1335 CD1 TRP A 167 1934 2190 1642 676 292 -312 C ATOM 1336 CD2 TRP A 167 61.669 50.888 82.345 1.00 14.68 C ANISOU 1336 CD2 TRP A 167 1942 1960 1675 614 299 -283 C ATOM 1337 NE1 TRP A 167 61.359 51.154 84.540 1.00 15.53 N ANISOU 1337 NE1 TRP A 167 1980 2247 1672 698 313 -302 N ATOM 1338 CE2 TRP A 167 60.948 51.584 83.299 1.00 15.26 C ANISOU 1338 CE2 TRP A 167 1986 2109 1702 740 298 -285 C ATOM 1339 CE3 TRP A 167 61.406 51.134 80.982 1.00 15.04 C ANISOU 1339 CE3 TRP A 167 2022 1999 1694 800 314 -271 C ATOM 1340 CZ2 TRP A 167 59.992 52.541 82.961 1.00 15.72 C ANISOU 1340 CZ2 TRP A 167 2162 2067 1742 876 245 -302 C ATOM 1341 CZ3 TRP A 167 60.466 52.095 80.637 1.00 15.42 C ANISOU 1341 CZ3 TRP A 167 2011 2103 1744 888 290 -314 C ATOM 1342 CH2 TRP A 167 59.761 52.777 81.631 1.00 16.04 C ANISOU 1342 CH2 TRP A 167 2243 2083 1769 864 231 -356 C ATOM 0 H TRP A 167 64.486 46.888 81.593 1.00 12.47 H new ATOM 0 HA TRP A 167 62.451 47.289 83.121 1.00 13.09 H new ATOM 0 HB2 TRP A 167 64.235 48.866 83.012 1.00 13.97 H new ATOM 0 HB3 TRP A 167 63.775 49.297 81.585 1.00 13.97 H new ATOM 0 HD1 TRP A 167 62.715 49.708 85.068 1.00 15.18 H new ATOM 0 HE1 TRP A 167 61.072 51.453 85.294 1.00 15.53 H new ATOM 0 HE3 TRP A 167 61.857 50.658 80.322 1.00 15.04 H new ATOM 0 HZ2 TRP A 167 59.525 53.005 83.618 1.00 15.72 H new ATOM 0 HZ3 TRP A 167 60.305 52.285 79.741 1.00 15.42 H new ATOM 0 HH2 TRP A 167 59.121 53.405 81.385 1.00 16.04 H new ATOM 1343 N PRO A 168 61.630 47.785 80.064 1.00 14.37 N ANISOU 1343 N PRO A 168 1601 2212 1646 494 247 -150 N ATOM 1344 CA PRO A 168 60.405 48.043 79.294 1.00 15.21 C ANISOU 1344 CA PRO A 168 1609 2436 1734 521 216 -70 C ATOM 1345 C PRO A 168 59.401 46.896 79.409 1.00 14.74 C ANISOU 1345 C PRO A 168 1454 2415 1731 534 229 -107 C ATOM 1346 O PRO A 168 58.195 47.109 79.301 1.00 14.58 O ANISOU 1346 O PRO A 168 1387 2400 1752 637 285 -40 O ATOM 1347 CB PRO A 168 60.907 48.155 77.851 1.00 16.20 C ANISOU 1347 CB PRO A 168 1723 2622 1810 759 151 43 C ATOM 1348 CG PRO A 168 62.330 48.588 77.986 1.00 15.97 C ANISOU 1348 CG PRO A 168 1933 2338 1795 537 112 -74 C ATOM 1349 CD PRO A 168 62.822 47.861 79.224 1.00 15.34 C ANISOU 1349 CD PRO A 168 1673 2400 1755 680 171 -206 C ATOM 0 HA PRO A 168 59.938 48.832 79.611 1.00 15.21 H new ATOM 0 HB2 PRO A 168 60.838 47.307 77.386 1.00 16.20 H new ATOM 0 HB3 PRO A 168 60.388 48.799 77.345 1.00 16.20 H new ATOM 0 HG2 PRO A 168 62.850 48.347 77.203 1.00 15.97 H new ATOM 0 HG3 PRO A 168 62.400 49.550 78.088 1.00 15.97 H new ATOM 0 HD2 PRO A 168 63.165 46.980 79.009 1.00 15.34 H new ATOM 0 HD3 PRO A 168 63.539 48.345 79.663 1.00 15.34 H new ATOM 1350 N TRP A 169 59.903 45.709 79.664 1.00 15.02 N ANISOU 1350 N TRP A 169 1599 2366 1742 518 202 -104 N ATOM 1351 CA TRP A 169 59.020 44.559 79.875 1.00 14.35 C ANISOU 1351 CA TRP A 169 1303 2449 1701 544 238 -70 C ATOM 1352 C TRP A 169 58.345 44.606 81.239 1.00 15.06 C ANISOU 1352 C TRP A 169 1407 2574 1742 659 300 -134 C ATOM 1353 O TRP A 169 57.143 44.316 81.377 1.00 16.56 O ANISOU 1353 O TRP A 169 1471 2974 1846 589 326 -189 O ATOM 1354 CB TRP A 169 59.814 43.264 79.691 1.00 13.53 C ANISOU 1354 CB TRP A 169 1166 2296 1680 362 252 -27 C ATOM 1355 CG TRP A 169 59.900 42.898 78.241 1.00 13.58 C ANISOU 1355 CG TRP A 169 1163 2302 1694 386 226 -55 C ATOM 1356 CD1 TRP A 169 60.966 43.074 77.401 1.00 14.17 C ANISOU 1356 CD1 TRP A 169 1330 2389 1666 235 204 -63 C ATOM 1357 CD2 TRP A 169 58.857 42.313 77.450 1.00 14.46 C ANISOU 1357 CD2 TRP A 169 1251 2445 1798 419 191 -10 C ATOM 1358 NE1 TRP A 169 60.652 42.628 76.129 1.00 14.58 N ANISOU 1358 NE1 TRP A 169 1440 2387 1714 346 203 17 N ATOM 1359 CE2 TRP A 169 59.359 42.162 76.142 1.00 14.70 C ANISOU 1359 CE2 TRP A 169 1347 2451 1788 434 156 14 C ATOM 1360 CE3 TRP A 169 57.544 41.925 77.717 1.00 15.35 C ANISOU 1360 CE3 TRP A 169 1343 2571 1919 250 178 28 C ATOM 1361 CZ2 TRP A 169 58.602 41.611 75.117 1.00 15.41 C ANISOU 1361 CZ2 TRP A 169 1401 2580 1874 376 95 52 C ATOM 1362 CZ3 TRP A 169 56.790 41.380 76.710 1.00 17.30 C ANISOU 1362 CZ3 TRP A 169 1682 2920 1970 258 218 -56 C ATOM 1363 CH2 TRP A 169 57.324 41.234 75.410 1.00 16.34 C ANISOU 1363 CH2 TRP A 169 1509 2746 1954 300 194 0 C ATOM 0 H TRP A 169 60.744 45.537 79.721 1.00 15.02 H new ATOM 0 HA TRP A 169 58.310 44.591 79.214 1.00 14.35 H new ATOM 0 HB2 TRP A 169 60.706 43.372 80.056 1.00 13.53 H new ATOM 0 HB3 TRP A 169 59.390 42.546 80.186 1.00 13.53 H new ATOM 0 HD1 TRP A 169 61.784 43.441 77.649 1.00 14.17 H new ATOM 0 HE1 TRP A 169 61.176 42.640 75.447 1.00 14.58 H new ATOM 0 HE3 TRP A 169 57.185 42.035 78.568 1.00 15.35 H new ATOM 0 HZ2 TRP A 169 58.953 41.503 74.263 1.00 15.41 H new ATOM 0 HZ3 TRP A 169 55.919 41.104 76.884 1.00 17.30 H new ATOM 0 HH2 TRP A 169 56.792 40.872 74.738 1.00 16.34 H new ATOM 1364 N VAL A 170 59.113 44.985 82.255 1.00 14.32 N ANISOU 1364 N VAL A 170 1323 2400 1717 529 371 -144 N ATOM 1365 CA VAL A 170 58.530 45.191 83.569 1.00 14.69 C ANISOU 1365 CA VAL A 170 1418 2430 1734 553 411 -170 C ATOM 1366 C VAL A 170 57.543 46.365 83.512 1.00 16.03 C ANISOU 1366 C VAL A 170 1562 2755 1775 728 395 -107 C ATOM 1367 O VAL A 170 56.512 46.372 84.189 1.00 16.68 O ANISOU 1367 O VAL A 170 1552 2988 1798 619 398 -7 O ATOM 1368 CB VAL A 170 59.604 45.411 84.632 1.00 15.65 C ANISOU 1368 CB VAL A 170 1618 2547 1780 454 461 -143 C ATOM 1369 CG1 VAL A 170 58.979 45.859 85.946 1.00 16.37 C ANISOU 1369 CG1 VAL A 170 1592 2882 1745 586 512 -174 C ATOM 1370 CG2 VAL A 170 60.389 44.139 84.824 1.00 16.16 C ANISOU 1370 CG2 VAL A 170 1804 2531 1804 369 493 9 C ATOM 0 H VAL A 170 59.960 45.126 82.204 1.00 14.32 H new ATOM 0 HA VAL A 170 58.048 44.390 83.826 1.00 14.69 H new ATOM 0 HB VAL A 170 60.204 46.113 84.334 1.00 15.65 H new ATOM 0 HG11 VAL A 170 59.676 45.993 86.607 1.00 16.37 H new ATOM 0 HG12 VAL A 170 58.499 46.691 85.809 1.00 16.37 H new ATOM 0 HG13 VAL A 170 58.363 45.179 86.260 1.00 16.37 H new ATOM 0 HG21 VAL A 170 61.071 44.278 85.499 1.00 16.16 H new ATOM 0 HG22 VAL A 170 59.792 43.430 85.110 1.00 16.16 H new ATOM 0 HG23 VAL A 170 60.810 43.889 83.987 1.00 16.16 H new ATOM 1371 N ASN A 171 57.863 47.359 82.701 1.00 16.45 N ANISOU 1371 N ASN A 171 1689 2648 1915 813 401 -121 N ATOM 1372 CA ASN A 171 56.955 48.492 82.544 1.00 17.16 C ANISOU 1372 CA ASN A 171 1758 2672 2089 859 516 -131 C ATOM 1373 C ASN A 171 55.622 48.122 81.965 1.00 18.16 C ANISOU 1373 C ASN A 171 1825 2856 2218 876 526 -174 C ATOM 1374 O ASN A 171 54.643 48.890 82.098 1.00 20.03 O ANISOU 1374 O ASN A 171 1975 3239 2395 1067 610 -214 O ATOM 1375 CB ASN A 171 57.604 49.589 81.696 1.00 16.91 C ANISOU 1375 CB ASN A 171 1892 2448 2084 866 544 -199 C ATOM 1376 CG ASN A 171 56.835 50.894 81.744 1.00 17.43 C ANISOU 1376 CG ASN A 171 1897 2602 2123 925 514 -270 C ATOM 1377 OD1 ASN A 171 56.579 51.437 82.818 1.00 17.66 O ANISOU 1377 OD1 ASN A 171 1904 2687 2118 925 557 -330 O ATOM 1378 ND2 ASN A 171 56.464 51.406 80.579 1.00 17.39 N ANISOU 1378 ND2 ASN A 171 1909 2583 2115 1018 440 -282 N ATOM 0 H ASN A 171 58.586 47.402 82.238 1.00 16.45 H new ATOM 0 HA ASN A 171 56.786 48.822 83.441 1.00 17.16 H new ATOM 0 HB2 ASN A 171 58.510 49.740 82.007 1.00 16.91 H new ATOM 0 HB3 ASN A 171 57.666 49.288 80.776 1.00 16.91 H new ATOM 0 HD21 ASN A 171 56.027 52.146 80.554 1.00 17.39 H new ATOM 0 HD22 ASN A 171 56.661 50.998 79.848 1.00 17.39 H new ATOM 1379 N ALA A 172 55.548 46.972 81.325 1.00 16.47 N ANISOU 1379 N ALA A 172 1467 2661 2128 883 448 -125 N ATOM 1380 CA ALA A 172 54.292 46.444 80.784 1.00 16.34 C ANISOU 1380 CA ALA A 172 1445 2661 2103 797 422 -117 C ATOM 1381 C ALA A 172 53.564 45.528 81.764 1.00 17.71 C ANISOU 1381 C ALA A 172 1689 2833 2207 755 412 -69 C ATOM 1382 O ALA A 172 52.616 44.852 81.390 1.00 18.77 O ANISOU 1382 O ALA A 172 1591 3267 2273 665 422 37 O ATOM 1383 CB ALA A 172 54.522 45.707 79.467 1.00 17.08 C ANISOU 1383 CB ALA A 172 1518 2898 2072 589 365 -133 C ATOM 0 H ALA A 172 56.228 46.464 81.186 1.00 16.47 H new ATOM 0 HA ALA A 172 53.726 47.215 80.626 1.00 16.34 H new ATOM 0 HB1 ALA A 172 53.676 45.369 79.133 1.00 17.08 H new ATOM 0 HB2 ALA A 172 54.905 46.317 78.817 1.00 17.08 H new ATOM 0 HB3 ALA A 172 55.131 44.966 79.613 1.00 17.08 H new ATOM 1384 N TRP A 173 53.949 45.563 83.034 1.00 18.73 N ANISOU 1384 N TRP A 173 1850 3048 2219 769 410 -124 N ATOM 1385 CA TRP A 173 53.315 44.715 84.042 1.00 18.84 C ANISOU 1385 CA TRP A 173 1722 3215 2222 694 609 -132 C ATOM 1386 C TRP A 173 51.803 44.841 84.083 1.00 20.23 C ANISOU 1386 C TRP A 173 1756 3547 2384 618 737 -138 C ATOM 1387 O TRP A 173 51.105 43.887 84.422 1.00 21.12 O ANISOU 1387 O TRP A 173 1881 3694 2449 444 724 -154 O ATOM 1388 CB TRP A 173 53.894 45.005 85.428 1.00 19.92 C ANISOU 1388 CB TRP A 173 1968 3372 2229 791 682 -91 C ATOM 1389 CG TRP A 173 53.518 46.322 86.014 1.00 21.14 C ANISOU 1389 CG TRP A 173 2158 3471 2404 753 696 -128 C ATOM 1390 CD1 TRP A 173 54.168 47.520 85.842 1.00 22.08 C ANISOU 1390 CD1 TRP A 173 2351 3565 2472 788 637 -253 C ATOM 1391 CD2 TRP A 173 52.438 46.574 86.906 1.00 22.01 C ANISOU 1391 CD2 TRP A 173 2076 3713 2575 814 856 -86 C ATOM 1392 NE1 TRP A 173 53.535 48.499 86.578 1.00 22.21 N ANISOU 1392 NE1 TRP A 173 2188 3708 2544 959 780 -265 N ATOM 1393 CE2 TRP A 173 52.479 47.939 87.241 1.00 22.70 C ANISOU 1393 CE2 TRP A 173 2225 3765 2636 958 900 -223 C ATOM 1394 CE3 TRP A 173 51.434 45.770 87.468 1.00 23.56 C ANISOU 1394 CE3 TRP A 173 2040 4175 2735 738 974 -79 C ATOM 1395 CZ2 TRP A 173 51.543 48.539 88.114 1.00 23.18 C ANISOU 1395 CZ2 TRP A 173 2261 3802 2744 978 993 -382 C ATOM 1396 CZ3 TRP A 173 50.501 46.370 88.359 1.00 24.97 C ANISOU 1396 CZ3 TRP A 173 2419 4148 2920 761 1130 -227 C ATOM 1397 CH2 TRP A 173 50.568 47.734 88.657 1.00 25.62 C ANISOU 1397 CH2 TRP A 173 2700 4179 2857 932 1135 -380 C ATOM 0 H TRP A 173 54.575 46.070 83.335 1.00 18.73 H new ATOM 0 HA TRP A 173 53.512 43.802 83.781 1.00 18.84 H new ATOM 0 HB2 TRP A 173 53.608 44.304 86.035 1.00 19.92 H new ATOM 0 HB3 TRP A 173 54.861 44.956 85.375 1.00 19.92 H new ATOM 0 HD1 TRP A 173 54.920 47.651 85.310 1.00 22.08 H new ATOM 0 HE1 TRP A 173 53.767 49.326 86.614 1.00 22.21 H new ATOM 0 HE3 TRP A 173 51.380 44.865 87.262 1.00 23.56 H new ATOM 0 HZ2 TRP A 173 51.585 49.446 88.314 1.00 23.18 H new ATOM 0 HZ3 TRP A 173 49.837 45.848 88.748 1.00 24.97 H new ATOM 0 HH2 TRP A 173 49.940 48.105 89.234 1.00 25.62 H new ATOM 1398 N THR A 174 51.321 46.032 83.738 1.00 22.17 N ANISOU 1398 N THR A 174 2057 3751 2616 721 806 -81 N ATOM 1399 CA THR A 174 49.900 46.372 83.737 1.00 26.28 C ANISOU 1399 CA THR A 174 2481 4538 2967 883 796 -95 C ATOM 1400 C THR A 174 49.095 45.499 82.771 1.00 28.50 C ANISOU 1400 C THR A 174 2464 4931 3433 642 755 -51 C ATOM 1401 O THR A 174 47.908 45.346 82.932 1.00 30.69 O ANISOU 1401 O THR A 174 2446 5568 3645 939 686 -62 O ATOM 1402 CB THR A 174 49.701 47.850 83.344 1.00 28.36 C ANISOU 1402 CB THR A 174 3351 4368 3055 1519 616 -64 C ATOM 1403 OG1 THR A 174 50.224 48.085 82.028 1.00 27.49 O ANISOU 1403 OG1 THR A 174 3309 3932 3204 1563 660 -80 O ATOM 1404 CG2 THR A 174 50.459 48.775 84.307 1.00 29.62 C ANISOU 1404 CG2 THR A 174 3700 4448 3107 1502 308 107 C ATOM 0 H THR A 174 51.826 46.683 83.491 1.00 22.17 H new ATOM 0 HA THR A 174 49.577 46.214 84.638 1.00 26.28 H new ATOM 0 HB THR A 174 48.749 48.035 83.378 1.00 28.36 H new ATOM 0 HG1 THR A 174 50.111 48.891 81.821 1.00 27.49 H new ATOM 0 HG21 THR A 174 50.322 49.699 84.044 1.00 29.62 H new ATOM 0 HG22 THR A 174 50.128 48.644 85.209 1.00 29.62 H new ATOM 0 HG23 THR A 174 51.406 48.568 84.277 1.00 29.62 H new ATOM 1405 N ARG A 175 49.757 44.964 81.749 1.00 26.88 N ANISOU 1405 N ARG A 175 2375 4373 3464 735 639 -5 N ATOM 1406 CA ARG A 175 49.154 44.051 80.758 1.00 27.64 C ANISOU 1406 CA ARG A 175 2479 4430 3594 576 397 16 C ATOM 1407 C ARG A 175 49.270 42.569 81.134 1.00 26.40 C ANISOU 1407 C ARG A 175 2163 4497 3369 280 285 67 C ATOM 1408 O ARG A 175 48.701 41.709 80.450 1.00 27.48 O ANISOU 1408 O ARG A 175 2172 4859 3410 229 99 162 O ATOM 1409 CB ARG A 175 49.886 44.214 79.397 1.00 31.95 C ANISOU 1409 CB ARG A 175 3422 4727 3992 628 278 2 C ATOM 1410 CG ARG A 175 49.808 45.590 78.777 1.00 35.98 C ANISOU 1410 CG ARG A 175 4285 4976 4410 821 279 128 C ATOM 1411 CD ARG A 175 50.399 45.581 77.374 1.00 41.15 C ANISOU 1411 CD ARG A 175 5097 5592 4946 1115 433 347 C ATOM 1412 NE ARG A 175 49.586 44.747 76.483 1.00 47.39 N ANISOU 1412 NE ARG A 175 6084 6571 5350 942 524 657 N ATOM 1413 CZ ARG A 175 50.010 44.194 75.342 1.00 50.91 C ANISOU 1413 CZ ARG A 175 6221 7463 5661 1016 388 1080 C ATOM 1414 NH1 ARG A 175 51.263 44.387 74.917 1.00 50.02 N ANISOU 1414 NH1 ARG A 175 5953 7188 5866 2067 436 1660 N ATOM 1415 NH2 ARG A 175 49.169 43.441 74.625 1.00 52.45 N ANISOU 1415 NH2 ARG A 175 6114 8090 5726 299 153 843 N ATOM 0 H ARG A 175 50.590 45.121 81.603 1.00 26.88 H new ATOM 0 HA ARG A 175 48.215 44.290 80.718 1.00 27.64 H new ATOM 0 HB2 ARG A 175 50.820 43.985 79.521 1.00 31.95 H new ATOM 0 HB3 ARG A 175 49.517 43.572 78.770 1.00 31.95 H new ATOM 0 HG2 ARG A 175 48.884 45.882 78.742 1.00 35.98 H new ATOM 0 HG3 ARG A 175 50.286 46.227 79.331 1.00 35.98 H new ATOM 0 HD2 ARG A 175 50.442 46.487 77.029 1.00 41.15 H new ATOM 0 HD3 ARG A 175 51.308 45.244 77.402 1.00 41.15 H new ATOM 0 HE ARG A 175 48.770 44.602 76.713 1.00 47.39 H new ATOM 0 HH11 ARG A 175 51.804 44.870 75.379 1.00 50.02 H new ATOM 0 HH12 ARG A 175 51.528 44.028 74.182 1.00 50.02 H new ATOM 0 HH21 ARG A 175 48.363 43.316 74.899 1.00 52.45 H new ATOM 0 HH22 ARG A 175 49.434 43.082 73.890 1.00 52.45 H new ATOM 1416 N GLN A 176 50.054 42.272 82.171 1.00 25.23 N ANISOU 1416 N GLN A 176 2032 4302 3253 314 394 -3 N ATOM 1417 CA GLN A 176 50.456 40.892 82.488 1.00 24.61 C ANISOU 1417 CA GLN A 176 1772 4448 3132 152 470 64 C ATOM 1418 C GLN A 176 49.716 40.225 83.654 1.00 25.87 C ANISOU 1418 C GLN A 176 1847 4689 3294 23 466 170 C ATOM 1419 O GLN A 176 50.074 39.104 84.040 1.00 26.05 O ANISOU 1419 O GLN A 176 2031 4563 3305 -314 420 250 O ATOM 1420 CB GLN A 176 51.938 40.877 82.772 1.00 22.76 C ANISOU 1420 CB GLN A 176 1686 4049 2914 271 491 130 C ATOM 1421 CG GLN A 176 52.798 41.208 81.537 1.00 21.28 C ANISOU 1421 CG GLN A 176 1812 3556 2717 275 476 141 C ATOM 1422 CD GLN A 176 54.150 41.804 81.895 1.00 20.35 C ANISOU 1422 CD GLN A 176 1607 3590 2536 562 468 16 C ATOM 1423 OE1 GLN A 176 54.644 41.660 83.016 1.00 22.32 O ANISOU 1423 OE1 GLN A 176 2132 3794 2554 518 722 -135 O ATOM 1424 NE2 GLN A 176 54.783 42.454 80.931 1.00 20.01 N ANISOU 1424 NE2 GLN A 176 1884 3329 2388 501 184 98 N ATOM 0 H GLN A 176 50.369 42.861 82.712 1.00 25.23 H new ATOM 0 HA GLN A 176 50.215 40.368 81.708 1.00 24.61 H new ATOM 0 HB2 GLN A 176 52.133 41.516 83.475 1.00 22.76 H new ATOM 0 HB3 GLN A 176 52.188 40.002 83.107 1.00 22.76 H new ATOM 0 HG2 GLN A 176 52.934 40.400 81.018 1.00 21.28 H new ATOM 0 HG3 GLN A 176 52.316 41.831 80.971 1.00 21.28 H new ATOM 0 HE21 GLN A 176 54.416 42.540 80.158 1.00 20.01 H new ATOM 0 HE22 GLN A 176 55.561 42.790 81.078 1.00 20.01 H new ATOM 1425 N ARG A 177 48.721 40.910 84.202 1.00 27.12 N ANISOU 1425 N ARG A 177 1928 4756 3622 304 538 168 N ATOM 1426 CA ARG A 177 47.891 40.392 85.305 1.00 31.07 C ANISOU 1426 CA ARG A 177 2391 5297 4117 121 806 240 C ATOM 1427 C ARG A 177 48.787 40.112 86.513 1.00 29.77 C ANISOU 1427 C ARG A 177 2342 5167 3803 287 818 303 C ATOM 1428 O ARG A 177 48.584 39.170 87.253 1.00 29.61 O ANISOU 1428 O ARG A 177 2198 5246 3807 632 804 687 O ATOM 1429 CB ARG A 177 47.090 39.147 84.878 1.00 34.84 C ANISOU 1429 CB ARG A 177 2593 5681 4963 -399 888 461 C ATOM 1430 CG ARG A 177 45.998 39.420 83.851 1.00 44.37 C ANISOU 1430 CG ARG A 177 4245 6689 5924 -358 192 568 C ATOM 1431 CD ARG A 177 45.256 38.149 83.375 1.00 52.37 C ANISOU 1431 CD ARG A 177 5295 7868 6734 -689 -529 371 C ATOM 1432 NE ARG A 177 45.176 37.049 84.362 1.00 59.33 N ANISOU 1432 NE ARG A 177 6437 8761 7343 -1576 100 346 N ATOM 1433 CZ ARG A 177 45.619 35.799 84.157 1.00 62.93 C ANISOU 1433 CZ ARG A 177 6882 9274 7756 -742 1160 241 C ATOM 1434 NH1 ARG A 177 46.169 35.460 83.001 1.00 61.52 N ANISOU 1434 NH1 ARG A 177 7165 8459 7751 489 572 -250 N ATOM 1435 NH2 ARG A 177 45.512 34.866 85.107 1.00 65.66 N ANISOU 1435 NH2 ARG A 177 5967 11090 7891 -402 2610 669 N ATOM 0 H ARG A 177 48.499 41.701 83.946 1.00 27.12 H new ATOM 0 HA ARG A 177 47.233 41.061 85.551 1.00 31.07 H new ATOM 0 HB2 ARG A 177 47.704 38.491 84.514 1.00 34.84 H new ATOM 0 HB3 ARG A 177 46.686 38.751 85.666 1.00 34.84 H new ATOM 0 HG2 ARG A 177 45.354 40.036 84.233 1.00 44.37 H new ATOM 0 HG3 ARG A 177 46.392 39.861 83.082 1.00 44.37 H new ATOM 0 HD2 ARG A 177 44.354 38.397 83.117 1.00 52.37 H new ATOM 0 HD3 ARG A 177 45.697 37.816 82.578 1.00 52.37 H new ATOM 0 HE ARG A 177 44.819 37.224 85.124 1.00 59.33 H new ATOM 0 HH11 ARG A 177 46.245 36.043 82.373 1.00 61.52 H new ATOM 0 HH12 ARG A 177 46.450 34.657 82.878 1.00 61.52 H new ATOM 0 HH21 ARG A 177 45.155 35.062 85.864 1.00 65.66 H new ATOM 0 HH22 ARG A 177 45.800 34.069 84.961 1.00 65.66 H new ATOM 1436 N ILE A 178 49.772 40.987 86.679 1.00 27.71 N ANISOU 1436 N ILE A 178 1965 4975 3589 394 768 53 N ATOM 1437 CA ILE A 178 50.747 40.939 87.756 1.00 31.34 C ANISOU 1437 CA ILE A 178 2895 5340 3671 478 683 12 C ATOM 1438 C ILE A 178 50.436 42.061 88.745 1.00 31.10 C ANISOU 1438 C ILE A 178 3302 5243 3271 653 805 208 C ATOM 1439 O ILE A 178 50.105 43.171 88.341 1.00 31.04 O ANISOU 1439 O ILE A 178 3362 5246 3184 597 718 277 O ATOM 1440 CB ILE A 178 52.193 41.115 87.170 1.00 35.81 C ANISOU 1440 CB ILE A 178 3314 5911 4383 785 687 16 C ATOM 1441 CG1 ILE A 178 52.668 39.803 86.561 1.00 44.98 C ANISOU 1441 CG1 ILE A 178 5334 6650 5107 1075 846 124 C ATOM 1442 CG2 ILE A 178 53.205 41.606 88.198 1.00 32.02 C ANISOU 1442 CG2 ILE A 178 3120 4704 4344 1005 570 121 C ATOM 1443 CD1 ILE A 178 52.754 38.659 87.548 1.00 56.35 C ANISOU 1443 CD1 ILE A 178 8532 7252 5628 -42 858 476 C ATOM 0 H ILE A 178 49.894 41.650 86.145 1.00 27.71 H new ATOM 0 HA ILE A 178 50.702 40.083 88.210 1.00 31.34 H new ATOM 0 HB ILE A 178 52.135 41.802 86.487 1.00 35.81 H new ATOM 0 HG12 ILE A 178 52.065 39.554 85.843 1.00 44.98 H new ATOM 0 HG13 ILE A 178 53.542 39.940 86.163 1.00 44.98 H new ATOM 0 HG21 ILE A 178 54.075 41.695 87.779 1.00 32.02 H new ATOM 0 HG22 ILE A 178 52.924 42.468 88.544 1.00 32.02 H new ATOM 0 HG23 ILE A 178 53.261 40.969 88.927 1.00 32.02 H new ATOM 0 HD11 ILE A 178 53.062 37.860 87.092 1.00 56.35 H new ATOM 0 HD12 ILE A 178 53.378 38.888 88.255 1.00 56.35 H new ATOM 0 HD13 ILE A 178 51.878 38.495 87.931 1.00 56.35 H new ATOM 1444 N ASP A 179 50.549 41.774 90.040 1.00 29.05 N ANISOU 1444 N ASP A 179 2958 4850 3231 652 1087 391 N ATOM 1445 CA ASP A 179 50.560 42.821 91.043 1.00 29.20 C ANISOU 1445 CA ASP A 179 2911 4948 3235 678 1084 374 C ATOM 1446 C ASP A 179 52.008 43.185 91.380 1.00 27.08 C ANISOU 1446 C ASP A 179 2742 4568 2978 670 927 259 C ATOM 1447 O ASP A 179 52.684 42.481 92.131 1.00 26.78 O ANISOU 1447 O ASP A 179 2519 4759 2896 713 746 13 O ATOM 1448 CB ASP A 179 49.816 42.354 92.292 1.00 33.64 C ANISOU 1448 CB ASP A 179 3446 5746 3588 359 1151 151 C ATOM 1449 CG ASP A 179 49.713 43.440 93.347 1.00 37.02 C ANISOU 1449 CG ASP A 179 4006 6055 4004 572 1220 -121 C ATOM 1450 OD1 ASP A 179 50.137 44.598 93.084 1.00 35.88 O ANISOU 1450 OD1 ASP A 179 3462 5744 4425 1039 984 -229 O ATOM 1451 OD2 ASP A 179 49.204 43.128 94.432 1.00 37.37 O ANISOU 1451 OD2 ASP A 179 3949 6374 3877 455 1404 -217 O ATOM 0 H ASP A 179 50.620 40.976 90.354 1.00 29.05 H new ATOM 0 HA ASP A 179 50.110 43.608 90.698 1.00 29.20 H new ATOM 0 HB2 ASP A 179 48.925 42.063 92.044 1.00 33.64 H new ATOM 0 HB3 ASP A 179 50.272 41.584 92.668 1.00 33.64 H new ATOM 1452 N LEU A 180 52.488 44.290 90.834 1.00 25.66 N ANISOU 1452 N LEU A 180 2578 4252 2920 977 896 193 N ATOM 1453 CA LEU A 180 53.885 44.667 90.987 1.00 26.16 C ANISOU 1453 CA LEU A 180 2705 4260 2973 1056 844 53 C ATOM 1454 C LEU A 180 54.283 44.890 92.439 1.00 27.11 C ANISOU 1454 C LEU A 180 2843 4533 2926 714 823 34 C ATOM 1455 O LEU A 180 55.453 44.714 92.795 1.00 27.08 O ANISOU 1455 O LEU A 180 3049 4284 2956 468 720 168 O ATOM 1456 CB LEU A 180 54.213 45.916 90.163 1.00 28.25 C ANISOU 1456 CB LEU A 180 3123 4483 3127 890 931 -29 C ATOM 1457 CG LEU A 180 55.688 46.175 89.879 1.00 30.53 C ANISOU 1457 CG LEU A 180 3403 4787 3410 760 826 74 C ATOM 1458 CD1 LEU A 180 56.330 45.027 89.116 1.00 30.56 C ANISOU 1458 CD1 LEU A 180 3406 4684 3520 684 1131 9 C ATOM 1459 CD2 LEU A 180 55.836 47.468 89.094 1.00 32.67 C ANISOU 1459 CD2 LEU A 180 3973 4957 3485 1226 247 340 C ATOM 0 H LEU A 180 52.019 44.840 90.368 1.00 25.66 H new ATOM 0 HA LEU A 180 54.402 43.917 90.655 1.00 26.16 H new ATOM 0 HB2 LEU A 180 53.747 45.851 89.315 1.00 28.25 H new ATOM 0 HB3 LEU A 180 53.853 46.688 90.626 1.00 28.25 H new ATOM 0 HG LEU A 180 56.147 46.251 90.730 1.00 30.53 H new ATOM 0 HD11 LEU A 180 57.265 45.228 88.955 1.00 30.56 H new ATOM 0 HD12 LEU A 180 56.260 44.212 89.638 1.00 30.56 H new ATOM 0 HD13 LEU A 180 55.875 44.907 88.268 1.00 30.56 H new ATOM 0 HD21 LEU A 180 56.775 47.632 88.914 1.00 32.67 H new ATOM 0 HD22 LEU A 180 55.354 47.395 88.255 1.00 32.67 H new ATOM 0 HD23 LEU A 180 55.473 48.204 89.611 1.00 32.67 H new ATOM 1460 N ALA A 181 53.317 45.237 93.290 1.00 28.86 N ANISOU 1460 N ALA A 181 3124 4985 2857 1193 959 -135 N ATOM 1461 CA ALA A 181 53.593 45.423 94.716 1.00 30.71 C ANISOU 1461 CA ALA A 181 3479 5287 2904 925 1115 -244 C ATOM 1462 C ALA A 181 53.974 44.127 95.416 1.00 29.14 C ANISOU 1462 C ALA A 181 3236 5077 2757 830 1073 -186 C ATOM 1463 O ALA A 181 54.524 44.146 96.504 1.00 30.87 O ANISOU 1463 O ALA A 181 3585 5455 2691 732 1172 -331 O ATOM 1464 CB ALA A 181 52.393 46.053 95.409 1.00 33.18 C ANISOU 1464 CB ALA A 181 3526 6023 3057 1002 1363 -385 C ATOM 0 H ALA A 181 52.498 45.369 93.063 1.00 28.86 H new ATOM 0 HA ALA A 181 54.357 46.017 94.778 1.00 30.71 H new ATOM 0 HB1 ALA A 181 52.589 46.171 96.352 1.00 33.18 H new ATOM 0 HB2 ALA A 181 52.204 46.916 95.008 1.00 33.18 H new ATOM 0 HB3 ALA A 181 51.621 45.474 95.309 1.00 33.18 H new ATOM 1465 N MET A 182 53.669 42.993 94.799 1.00 28.84 N ANISOU 1465 N MET A 182 3261 5051 2644 511 986 58 N ATOM 1466 CA MET A 182 54.065 41.686 95.331 1.00 28.08 C ANISOU 1466 CA MET A 182 3162 4859 2650 187 934 356 C ATOM 1467 C MET A 182 55.548 41.418 95.162 1.00 25.02 C ANISOU 1467 C MET A 182 2903 4346 2256 190 799 451 C ATOM 1468 O MET A 182 56.074 40.460 95.718 1.00 25.20 O ANISOU 1468 O MET A 182 2987 4353 2235 46 764 489 O ATOM 1469 CB MET A 182 53.277 40.575 94.630 1.00 31.64 C ANISOU 1469 CB MET A 182 3475 5337 3211 208 991 394 C ATOM 1470 CG MET A 182 51.787 40.631 94.907 1.00 38.16 C ANISOU 1470 CG MET A 182 3956 6520 4024 122 1163 377 C ATOM 1471 SD MET A 182 51.414 40.267 96.638 1.00 47.16 S ANISOU 1471 SD MET A 182 5592 7404 4923 -258 1368 611 S ATOM 1472 CE MET A 182 51.393 41.870 97.455 1.00 47.72 C ANISOU 1472 CE MET A 182 5579 7042 5511 -482 1302 622 C ATOM 0 H MET A 182 53.228 42.954 94.062 1.00 28.84 H new ATOM 0 HA MET A 182 53.868 41.696 96.281 1.00 28.08 H new ATOM 0 HB2 MET A 182 53.424 40.637 93.673 1.00 31.64 H new ATOM 0 HB3 MET A 182 53.621 39.714 94.915 1.00 31.64 H new ATOM 0 HG2 MET A 182 51.449 41.512 94.681 1.00 38.16 H new ATOM 0 HG3 MET A 182 51.327 39.995 94.336 1.00 38.16 H new ATOM 0 HE1 MET A 182 51.975 41.846 98.230 1.00 47.72 H new ATOM 0 HE2 MET A 182 51.704 42.552 96.839 1.00 47.72 H new ATOM 0 HE3 MET A 182 50.488 42.078 97.737 1.00 47.72 H new ATOM 1473 N TYR A 183 56.213 42.258 94.381 1.00 21.63 N ANISOU 1473 N TYR A 183 2428 3864 1926 443 734 368 N ATOM 1474 CA TYR A 183 57.630 42.141 94.096 1.00 20.76 C ANISOU 1474 CA TYR A 183 2462 3639 1786 348 773 146 C ATOM 1475 C TYR A 183 58.282 43.498 94.427 1.00 20.20 C ANISOU 1475 C TYR A 183 2452 3497 1726 484 807 82 C ATOM 1476 O TYR A 183 58.633 44.263 93.523 1.00 18.84 O ANISOU 1476 O TYR A 183 2293 3203 1663 483 668 90 O ATOM 1477 CB TYR A 183 57.843 41.753 92.598 1.00 21.34 C ANISOU 1477 CB TYR A 183 2729 3489 1892 197 630 27 C ATOM 1478 CG TYR A 183 57.039 40.508 92.215 1.00 20.28 C ANISOU 1478 CG TYR A 183 2172 3449 2084 125 642 164 C ATOM 1479 CD1 TYR A 183 57.531 39.230 92.475 1.00 20.51 C ANISOU 1479 CD1 TYR A 183 2113 3480 2198 218 656 189 C ATOM 1480 CD2 TYR A 183 55.792 40.618 91.622 1.00 20.12 C ANISOU 1480 CD2 TYR A 183 2106 3407 2131 327 674 283 C ATOM 1481 CE1 TYR A 183 56.791 38.097 92.168 1.00 21.64 C ANISOU 1481 CE1 TYR A 183 2314 3631 2277 260 722 148 C ATOM 1482 CE2 TYR A 183 55.040 39.496 91.309 1.00 21.47 C ANISOU 1482 CE2 TYR A 183 2134 3716 2307 130 614 295 C ATOM 1483 CZ TYR A 183 55.549 38.236 91.564 1.00 22.24 C ANISOU 1483 CZ TYR A 183 2260 3758 2432 118 726 168 C ATOM 1484 OH TYR A 183 54.800 37.116 91.264 1.00 23.51 O ANISOU 1484 OH TYR A 183 2468 3888 2577 -92 821 97 O ATOM 0 H TYR A 183 55.840 42.929 93.993 1.00 21.63 H new ATOM 0 HA TYR A 183 58.039 41.444 94.632 1.00 20.76 H new ATOM 0 HB2 TYR A 183 57.581 42.495 92.031 1.00 21.34 H new ATOM 0 HB3 TYR A 183 58.786 41.592 92.436 1.00 21.34 H new ATOM 0 HD1 TYR A 183 58.371 39.135 92.862 1.00 20.51 H new ATOM 0 HD2 TYR A 183 55.452 41.462 91.430 1.00 20.12 H new ATOM 0 HE1 TYR A 183 57.124 37.252 92.365 1.00 21.64 H new ATOM 0 HE2 TYR A 183 54.196 39.591 90.929 1.00 21.47 H new ATOM 0 HH TYR A 183 55.094 36.458 91.696 1.00 23.51 H new ATOM 1485 N PRO A 184 58.455 43.793 95.712 1.00 21.84 N ANISOU 1485 N PRO A 184 2842 3745 1712 446 799 57 N ATOM 1486 CA PRO A 184 58.826 45.152 96.122 1.00 22.35 C ANISOU 1486 CA PRO A 184 2964 3892 1635 459 725 48 C ATOM 1487 C PRO A 184 60.146 45.643 95.561 1.00 20.82 C ANISOU 1487 C PRO A 184 2870 3551 1489 585 495 29 C ATOM 1488 O PRO A 184 60.265 46.818 95.241 1.00 22.53 O ANISOU 1488 O PRO A 184 3379 3668 1513 649 257 27 O ATOM 1489 CB PRO A 184 58.916 45.059 97.649 1.00 24.70 C ANISOU 1489 CB PRO A 184 3428 4215 1740 332 866 89 C ATOM 1490 CG PRO A 184 58.121 43.849 98.019 1.00 26.30 C ANISOU 1490 CG PRO A 184 3742 4406 1845 221 948 91 C ATOM 1491 CD PRO A 184 58.255 42.902 96.861 1.00 25.45 C ANISOU 1491 CD PRO A 184 3732 4111 1828 195 889 104 C ATOM 0 HA PRO A 184 58.175 45.790 95.788 1.00 22.35 H new ATOM 0 HB2 PRO A 184 59.837 44.975 97.941 1.00 24.70 H new ATOM 0 HB3 PRO A 184 58.557 45.856 98.070 1.00 24.70 H new ATOM 0 HG2 PRO A 184 58.456 43.449 98.836 1.00 26.30 H new ATOM 0 HG3 PRO A 184 57.191 44.078 98.176 1.00 26.30 H new ATOM 0 HD2 PRO A 184 59.004 42.297 96.979 1.00 25.45 H new ATOM 0 HD3 PRO A 184 57.462 42.354 96.754 1.00 25.45 H new ATOM 1492 N ALA A 185 61.145 44.770 95.459 1.00 19.33 N ANISOU 1492 N ALA A 185 2634 3285 1424 465 472 16 N ATOM 1493 CA ALA A 185 62.427 45.198 94.900 1.00 18.47 C ANISOU 1493 CA ALA A 185 2470 3092 1457 562 407 -58 C ATOM 1494 C ALA A 185 62.271 45.536 93.419 1.00 17.15 C ANISOU 1494 C ALA A 185 2216 2839 1461 747 452 -111 C ATOM 1495 O ALA A 185 62.890 46.486 92.913 1.00 17.66 O ANISOU 1495 O ALA A 185 2369 2859 1482 624 497 -129 O ATOM 1496 CB ALA A 185 63.498 44.143 95.104 1.00 18.44 C ANISOU 1496 CB ALA A 185 2491 2994 1523 356 253 -11 C ATOM 0 H ALA A 185 61.106 43.946 95.701 1.00 19.33 H new ATOM 0 HA ALA A 185 62.711 45.996 95.372 1.00 18.47 H new ATOM 0 HB1 ALA A 185 64.335 44.453 94.724 1.00 18.44 H new ATOM 0 HB2 ALA A 185 63.615 43.980 96.053 1.00 18.44 H new ATOM 0 HB3 ALA A 185 63.230 43.320 94.665 1.00 18.44 H new ATOM 1497 N VAL A 186 61.452 44.757 92.712 1.00 17.02 N ANISOU 1497 N VAL A 186 2172 2858 1435 585 375 -55 N ATOM 1498 CA VAL A 186 61.209 45.061 91.281 1.00 16.89 C ANISOU 1498 CA VAL A 186 2064 2840 1512 551 396 -62 C ATOM 1499 C VAL A 186 60.477 46.390 91.189 1.00 18.17 C ANISOU 1499 C VAL A 186 2342 2954 1609 559 462 -115 C ATOM 1500 O VAL A 186 60.816 47.236 90.356 1.00 16.88 O ANISOU 1500 O VAL A 186 2098 2729 1586 427 480 -141 O ATOM 1501 CB VAL A 186 60.384 43.985 90.573 1.00 16.04 C ANISOU 1501 CB VAL A 186 1886 2687 1522 467 406 -8 C ATOM 1502 CG1 VAL A 186 60.173 44.350 89.105 1.00 16.48 C ANISOU 1502 CG1 VAL A 186 2143 2619 1498 468 468 -60 C ATOM 1503 CG2 VAL A 186 61.085 42.637 90.631 1.00 15.81 C ANISOU 1503 CG2 VAL A 186 1705 2788 1515 375 298 128 C ATOM 0 H VAL A 186 61.036 44.070 93.019 1.00 17.02 H new ATOM 0 HA VAL A 186 62.071 45.095 90.837 1.00 16.89 H new ATOM 0 HB VAL A 186 59.530 43.930 91.029 1.00 16.04 H new ATOM 0 HG11 VAL A 186 59.649 43.658 88.671 1.00 16.48 H new ATOM 0 HG12 VAL A 186 59.703 45.196 89.046 1.00 16.48 H new ATOM 0 HG13 VAL A 186 61.033 44.427 88.664 1.00 16.48 H new ATOM 0 HG21 VAL A 186 60.545 41.971 90.177 1.00 15.81 H new ATOM 0 HG22 VAL A 186 61.950 42.703 90.196 1.00 15.81 H new ATOM 0 HG23 VAL A 186 61.208 42.376 91.557 1.00 15.81 H new ATOM 1504 N LYS A 187 59.477 46.565 92.048 1.00 19.83 N ANISOU 1504 N LYS A 187 2525 3272 1739 586 563 -188 N ATOM 1505 CA LYS A 187 58.695 47.809 92.059 1.00 20.68 C ANISOU 1505 CA LYS A 187 2568 3417 1872 669 633 -333 C ATOM 1506 C LYS A 187 59.577 49.035 92.256 1.00 21.36 C ANISOU 1506 C LYS A 187 2985 3327 1804 773 520 -362 C ATOM 1507 O LYS A 187 59.461 50.015 91.512 1.00 20.29 O ANISOU 1507 O LYS A 187 2768 3101 1840 1046 385 -388 O ATOM 1508 CB LYS A 187 57.617 47.759 93.118 1.00 23.30 C ANISOU 1508 CB LYS A 187 2890 3722 2241 817 754 -361 C ATOM 1509 CG LYS A 187 56.745 49.021 93.139 1.00 27.66 C ANISOU 1509 CG LYS A 187 3433 4010 3066 1029 771 -412 C ATOM 1510 CD LYS A 187 55.484 48.804 93.928 1.00 34.96 C ANISOU 1510 CD LYS A 187 4024 4903 4356 957 721 -417 C ATOM 1511 CE LYS A 187 54.587 50.041 93.922 1.00 44.60 C ANISOU 1511 CE LYS A 187 6188 5427 5330 1509 585 -796 C ATOM 1512 NZ LYS A 187 55.251 51.173 94.627 1.00 51.08 N ANISOU 1512 NZ LYS A 187 7377 6114 5917 1475 683 -1025 N ATOM 0 H LYS A 187 59.233 45.982 92.631 1.00 19.83 H new ATOM 0 HA LYS A 187 58.274 47.888 91.189 1.00 20.68 H new ATOM 0 HB2 LYS A 187 57.054 46.984 92.964 1.00 23.30 H new ATOM 0 HB3 LYS A 187 58.029 47.641 93.988 1.00 23.30 H new ATOM 0 HG2 LYS A 187 57.247 49.756 93.524 1.00 27.66 H new ATOM 0 HG3 LYS A 187 56.520 49.276 92.230 1.00 27.66 H new ATOM 0 HD2 LYS A 187 54.998 48.051 93.558 1.00 34.96 H new ATOM 0 HD3 LYS A 187 55.711 48.574 94.843 1.00 34.96 H new ATOM 0 HE2 LYS A 187 54.385 50.296 93.008 1.00 44.60 H new ATOM 0 HE3 LYS A 187 53.742 49.836 94.352 1.00 44.60 H new ATOM 0 HZ1 LYS A 187 54.663 51.829 94.756 1.00 51.08 H new ATOM 0 HZ2 LYS A 187 55.560 50.893 95.413 1.00 51.08 H new ATOM 0 HZ3 LYS A 187 55.928 51.474 94.134 1.00 51.08 H new ATOM 1513 N ASN A 188 60.482 48.972 93.235 1.00 20.72 N ANISOU 1513 N ASN A 188 2939 3177 1755 694 556 -270 N ATOM 1514 CA ASN A 188 61.370 50.118 93.516 1.00 21.19 C ANISOU 1514 CA ASN A 188 3065 3283 1705 622 508 -426 C ATOM 1515 C ASN A 188 62.356 50.391 92.375 1.00 19.99 C ANISOU 1515 C ASN A 188 2965 3007 1624 642 515 -425 C ATOM 1516 O ASN A 188 62.621 51.542 92.028 1.00 19.75 O ANISOU 1516 O ASN A 188 2948 2957 1600 751 645 -479 O ATOM 1517 CB ASN A 188 62.109 49.919 94.812 1.00 22.84 C ANISOU 1517 CB ASN A 188 3370 3546 1762 609 485 -507 C ATOM 1518 CG ASN A 188 61.193 50.024 96.025 1.00 25.21 C ANISOU 1518 CG ASN A 188 3628 4124 1827 878 569 -249 C ATOM 1519 OD1 ASN A 188 60.095 50.563 95.936 1.00 24.67 O ANISOU 1519 OD1 ASN A 188 3550 3908 1914 931 729 -87 O ATOM 1520 ND2 ASN A 188 61.642 49.508 97.158 1.00 26.47 N ANISOU 1520 ND2 ASN A 188 3865 4383 1811 867 413 -176 N ATOM 0 H ASN A 188 60.601 48.289 93.744 1.00 20.72 H new ATOM 0 HA ASN A 188 60.800 50.899 93.595 1.00 21.19 H new ATOM 0 HB2 ASN A 188 62.537 49.048 94.807 1.00 22.84 H new ATOM 0 HB3 ASN A 188 62.814 50.581 94.884 1.00 22.84 H new ATOM 0 HD21 ASN A 188 61.158 49.543 97.868 1.00 26.47 H new ATOM 0 HD22 ASN A 188 62.418 49.137 97.184 1.00 26.47 H new ATOM 1521 N TRP A 189 62.891 49.316 91.801 1.00 17.93 N ANISOU 1521 N TRP A 189 2435 2774 1605 631 358 -310 N ATOM 1522 CA TRP A 189 63.799 49.400 90.674 1.00 17.06 C ANISOU 1522 CA TRP A 189 2387 2564 1530 616 267 -301 C ATOM 1523 C TRP A 189 63.093 49.958 89.441 1.00 16.19 C ANISOU 1523 C TRP A 189 2251 2412 1488 675 354 -394 C ATOM 1524 O TRP A 189 63.635 50.828 88.722 1.00 16.12 O ANISOU 1524 O TRP A 189 2364 2412 1348 696 320 -477 O ATOM 1525 CB TRP A 189 64.389 48.011 90.428 1.00 16.18 C ANISOU 1525 CB TRP A 189 2097 2542 1508 459 151 -277 C ATOM 1526 CG TRP A 189 65.120 47.731 89.148 1.00 16.27 C ANISOU 1526 CG TRP A 189 2025 2618 1540 378 175 -203 C ATOM 1527 CD1 TRP A 189 66.456 47.765 88.938 1.00 15.42 C ANISOU 1527 CD1 TRP A 189 1961 2295 1604 221 211 -106 C ATOM 1528 CD2 TRP A 189 64.534 47.219 87.948 1.00 16.05 C ANISOU 1528 CD2 TRP A 189 1961 2608 1529 337 248 -240 C ATOM 1529 NE1 TRP A 189 66.747 47.344 87.657 1.00 16.12 N ANISOU 1529 NE1 TRP A 189 2013 2492 1619 358 198 -183 N ATOM 1530 CE2 TRP A 189 65.585 46.992 87.031 1.00 15.91 C ANISOU 1530 CE2 TRP A 189 1935 2516 1593 403 265 -259 C ATOM 1531 CE3 TRP A 189 63.215 46.957 87.550 1.00 15.48 C ANISOU 1531 CE3 TRP A 189 1790 2623 1470 448 333 -261 C ATOM 1532 CZ2 TRP A 189 65.360 46.547 85.717 1.00 15.02 C ANISOU 1532 CZ2 TRP A 189 1673 2447 1586 531 356 -325 C ATOM 1533 CZ3 TRP A 189 62.992 46.506 86.240 1.00 15.13 C ANISOU 1533 CZ3 TRP A 189 1753 2521 1474 358 288 -345 C ATOM 1534 CH2 TRP A 189 64.082 46.270 85.357 1.00 15.26 C ANISOU 1534 CH2 TRP A 189 1711 2559 1530 347 293 -384 C ATOM 0 H TRP A 189 62.732 48.512 92.061 1.00 17.93 H new ATOM 0 HA TRP A 189 64.521 50.017 90.870 1.00 17.06 H new ATOM 0 HB2 TRP A 189 64.999 47.822 91.158 1.00 16.18 H new ATOM 0 HB3 TRP A 189 63.662 47.372 90.493 1.00 16.18 H new ATOM 0 HD1 TRP A 189 67.087 48.033 89.566 1.00 15.42 H new ATOM 0 HE1 TRP A 189 67.533 47.309 87.309 1.00 16.12 H new ATOM 0 HE3 TRP A 189 62.506 47.079 88.139 1.00 15.48 H new ATOM 0 HZ2 TRP A 189 66.062 46.446 85.116 1.00 15.02 H new ATOM 0 HZ3 TRP A 189 62.122 46.360 85.946 1.00 15.13 H new ATOM 0 HH2 TRP A 189 63.914 45.917 84.513 1.00 15.26 H new ATOM 1535 N HIS A 190 61.873 49.518 89.230 1.00 16.64 N ANISOU 1535 N HIS A 190 2286 2439 1599 577 422 -363 N ATOM 1536 CA HIS A 190 61.081 50.012 88.103 1.00 18.94 C ANISOU 1536 CA HIS A 190 2639 2784 1775 670 408 -333 C ATOM 1537 C HIS A 190 60.833 51.516 88.244 1.00 18.86 C ANISOU 1537 C HIS A 190 2633 2738 1796 879 454 -388 C ATOM 1538 O HIS A 190 60.972 52.279 87.288 1.00 18.05 O ANISOU 1538 O HIS A 190 2515 2541 1802 924 475 -520 O ATOM 1539 CB HIS A 190 59.726 49.294 88.019 1.00 19.17 C ANISOU 1539 CB HIS A 190 2418 2930 1934 687 436 -339 C ATOM 1540 CG HIS A 190 58.784 49.926 87.050 1.00 20.45 C ANISOU 1540 CG HIS A 190 2542 3194 2034 748 442 -296 C ATOM 1541 ND1 HIS A 190 57.764 50.766 87.440 1.00 20.87 N ANISOU 1541 ND1 HIS A 190 2692 3162 2076 771 499 -342 N ATOM 1542 CD2 HIS A 190 58.734 49.879 85.699 1.00 20.04 C ANISOU 1542 CD2 HIS A 190 2378 3178 2059 810 383 -218 C ATOM 1543 CE1 HIS A 190 57.112 51.192 86.374 1.00 21.47 C ANISOU 1543 CE1 HIS A 190 2631 3420 2106 904 511 -368 C ATOM 1544 NE2 HIS A 190 57.679 50.665 85.305 1.00 19.92 N ANISOU 1544 NE2 HIS A 190 2394 3088 2088 975 462 -284 N ATOM 0 H HIS A 190 61.476 48.934 89.721 1.00 16.64 H new ATOM 0 HA HIS A 190 61.585 49.834 87.294 1.00 18.94 H new ATOM 0 HB2 HIS A 190 59.872 48.370 87.763 1.00 19.17 H new ATOM 0 HB3 HIS A 190 59.317 49.284 88.899 1.00 19.17 H new ATOM 0 HD2 HIS A 190 59.307 49.404 85.141 1.00 20.04 H new ATOM 0 HE1 HIS A 190 56.379 51.765 86.376 1.00 21.47 H new ATOM 0 HE2 HIS A 190 57.428 50.793 84.492 1.00 19.92 H new ATOM 1545 N GLU A 191 60.482 51.926 89.451 1.00 19.88 N ANISOU 1545 N GLU A 191 2880 2839 1833 718 541 -358 N ATOM 1546 CA GLU A 191 60.263 53.342 89.748 1.00 20.31 C ANISOU 1546 CA GLU A 191 3011 2859 1845 968 510 -369 C ATOM 1547 C GLU A 191 61.554 54.153 89.573 1.00 20.11 C ANISOU 1547 C GLU A 191 3076 2782 1784 899 446 -453 C ATOM 1548 O GLU A 191 61.541 55.255 89.018 1.00 20.10 O ANISOU 1548 O GLU A 191 3161 2655 1820 930 544 -465 O ATOM 1549 CB GLU A 191 59.734 53.509 91.170 1.00 21.39 C ANISOU 1549 CB GLU A 191 3205 2929 1993 1084 556 -371 C ATOM 1550 CG GLU A 191 59.427 54.929 91.583 1.00 24.02 C ANISOU 1550 CG GLU A 191 3701 3212 2215 890 606 -489 C ATOM 1551 CD GLU A 191 59.020 55.037 93.046 1.00 29.11 C ANISOU 1551 CD GLU A 191 4437 4074 2551 1045 700 -533 C ATOM 1552 OE1 GLU A 191 57.980 54.419 93.405 1.00 30.62 O ANISOU 1552 OE1 GLU A 191 4577 4328 2729 1025 1163 -359 O ATOM 1553 OE2 GLU A 191 59.704 55.767 93.824 1.00 30.29 O ANISOU 1553 OE2 GLU A 191 4798 4150 2561 1427 324 -679 O ATOM 0 H GLU A 191 60.363 51.400 90.121 1.00 19.88 H new ATOM 0 HA GLU A 191 59.605 53.679 89.120 1.00 20.31 H new ATOM 0 HB2 GLU A 191 58.927 52.979 91.263 1.00 21.39 H new ATOM 0 HB3 GLU A 191 60.387 53.142 91.787 1.00 21.39 H new ATOM 0 HG2 GLU A 191 60.207 55.484 91.426 1.00 24.02 H new ATOM 0 HG3 GLU A 191 58.714 55.278 91.026 1.00 24.02 H new ATOM 1554 N ARG A 192 62.655 53.612 90.090 1.00 19.12 N ANISOU 1554 N ARG A 192 2948 2508 1809 796 341 -465 N ATOM 1555 CA ARG A 192 63.938 54.292 90.013 1.00 19.88 C ANISOU 1555 CA ARG A 192 2954 2676 1924 719 206 -347 C ATOM 1556 C ARG A 192 64.310 54.575 88.560 1.00 18.12 C ANISOU 1556 C ARG A 192 2828 2337 1721 764 172 -430 C ATOM 1557 O ARG A 192 64.692 55.692 88.216 1.00 17.69 O ANISOU 1557 O ARG A 192 2963 2133 1626 621 219 -590 O ATOM 1558 CB ARG A 192 65.034 53.459 90.698 1.00 21.98 C ANISOU 1558 CB ARG A 192 3209 2900 2241 677 -44 -260 C ATOM 1559 CG ARG A 192 66.373 54.168 90.777 1.00 23.90 C ANISOU 1559 CG ARG A 192 3471 3134 2477 463 -428 -502 C ATOM 1560 CD ARG A 192 67.447 53.325 91.494 1.00 25.18 C ANISOU 1560 CD ARG A 192 3634 3285 2650 295 -596 -547 C ATOM 1561 NE ARG A 192 68.674 54.119 91.643 1.00 26.94 N ANISOU 1561 NE ARG A 192 3793 3562 2882 93 -429 -377 N ATOM 1562 CZ ARG A 192 69.742 53.726 92.332 1.00 28.85 C ANISOU 1562 CZ ARG A 192 3938 3682 3343 -113 -451 -372 C ATOM 1563 NH1 ARG A 192 69.756 52.540 92.947 1.00 27.92 N ANISOU 1563 NH1 ARG A 192 3739 3622 3248 144 -271 -348 N ATOM 1564 NH2 ARG A 192 70.803 54.521 92.401 1.00 30.48 N ANISOU 1564 NH2 ARG A 192 4345 3539 3696 -288 -766 -506 N ATOM 0 H ARG A 192 62.677 52.851 90.489 1.00 19.12 H new ATOM 0 HA ARG A 192 63.862 55.139 90.479 1.00 19.88 H new ATOM 0 HB2 ARG A 192 64.744 53.231 91.595 1.00 21.98 H new ATOM 0 HB3 ARG A 192 65.146 52.625 90.215 1.00 21.98 H new ATOM 0 HG2 ARG A 192 66.677 54.379 89.880 1.00 23.90 H new ATOM 0 HG3 ARG A 192 66.262 55.011 91.245 1.00 23.90 H new ATOM 0 HD2 ARG A 192 67.124 53.045 92.365 1.00 25.18 H new ATOM 0 HD3 ARG A 192 67.631 52.519 90.987 1.00 25.18 H new ATOM 0 HE ARG A 192 68.704 54.888 91.260 1.00 26.94 H new ATOM 0 HH11 ARG A 192 69.070 52.023 92.900 1.00 27.92 H new ATOM 0 HH12 ARG A 192 70.451 52.294 93.390 1.00 27.92 H new ATOM 0 HH21 ARG A 192 70.796 55.283 92.002 1.00 30.48 H new ATOM 0 HH22 ARG A 192 71.497 54.274 92.844 1.00 30.48 H new ATOM 1565 N ILE A 193 64.204 53.554 87.707 1.00 17.68 N ANISOU 1565 N ILE A 193 2783 2245 1690 454 77 -330 N ATOM 1566 CA ILE A 193 64.555 53.717 86.298 1.00 17.45 C ANISOU 1566 CA ILE A 193 2537 2331 1762 569 150 -262 C ATOM 1567 C ILE A 193 63.570 54.700 85.623 1.00 18.51 C ANISOU 1567 C ILE A 193 2714 2457 1863 691 232 -192 C ATOM 1568 O ILE A 193 63.977 55.544 84.819 1.00 17.77 O ANISOU 1568 O ILE A 193 2686 2135 1930 720 133 -193 O ATOM 1569 CB ILE A 193 64.606 52.380 85.594 1.00 17.21 C ANISOU 1569 CB ILE A 193 2400 2392 1746 565 262 -221 C ATOM 1570 CG1 ILE A 193 65.823 51.601 86.099 1.00 17.57 C ANISOU 1570 CG1 ILE A 193 2456 2397 1822 493 137 -229 C ATOM 1571 CG2 ILE A 193 64.706 52.537 84.073 1.00 16.62 C ANISOU 1571 CG2 ILE A 193 2289 2298 1729 758 503 -202 C ATOM 1572 CD1 ILE A 193 65.796 50.142 85.733 1.00 17.61 C ANISOU 1572 CD1 ILE A 193 2380 2445 1867 379 84 -393 C ATOM 0 H ILE A 193 63.933 52.767 87.923 1.00 17.68 H new ATOM 0 HA ILE A 193 65.445 54.097 86.232 1.00 17.45 H new ATOM 0 HB ILE A 193 63.784 51.905 85.790 1.00 17.21 H new ATOM 0 HG12 ILE A 193 66.628 52.003 85.737 1.00 17.57 H new ATOM 0 HG13 ILE A 193 65.874 51.684 87.064 1.00 17.57 H new ATOM 0 HG21 ILE A 193 64.736 51.661 83.658 1.00 16.62 H new ATOM 0 HG22 ILE A 193 63.932 53.022 83.746 1.00 16.62 H new ATOM 0 HG23 ILE A 193 65.513 53.028 83.850 1.00 16.62 H new ATOM 0 HD11 ILE A 193 66.590 49.706 86.080 1.00 17.61 H new ATOM 0 HD12 ILE A 193 65.007 49.727 86.115 1.00 17.61 H new ATOM 0 HD13 ILE A 193 65.773 50.051 84.768 1.00 17.61 H new ATOM 1573 N ARG A 194 62.295 54.614 85.965 1.00 18.40 N ANISOU 1573 N ARG A 194 2826 2329 1835 873 417 -117 N ATOM 1574 CA ARG A 194 61.298 55.509 85.379 1.00 18.05 C ANISOU 1574 CA ARG A 194 2845 2224 1791 902 420 -203 C ATOM 1575 C ARG A 194 61.656 56.958 85.670 1.00 18.96 C ANISOU 1575 C ARG A 194 3125 2267 1811 887 314 -356 C ATOM 1576 O ARG A 194 61.453 57.855 84.815 1.00 19.23 O ANISOU 1576 O ARG A 194 3239 2239 1827 877 101 -438 O ATOM 1577 CB ARG A 194 59.892 55.187 85.870 1.00 17.64 C ANISOU 1577 CB ARG A 194 2688 2255 1758 1230 395 -188 C ATOM 1578 CG ARG A 194 58.801 56.121 85.313 1.00 17.46 C ANISOU 1578 CG ARG A 194 2632 2261 1741 1271 325 -287 C ATOM 1579 CD ARG A 194 58.761 56.067 83.775 1.00 16.99 C ANISOU 1579 CD ARG A 194 2579 2095 1783 1166 217 -417 C ATOM 1580 NE ARG A 194 57.747 56.962 83.234 1.00 17.88 N ANISOU 1580 NE ARG A 194 2740 2228 1825 1236 167 -416 N ATOM 1581 CZ ARG A 194 57.962 58.219 82.914 1.00 19.89 C ANISOU 1581 CZ ARG A 194 3178 2489 1892 1264 345 -222 C ATOM 1582 NH1 ARG A 194 59.173 58.744 83.094 1.00 20.69 N ANISOU 1582 NH1 ARG A 194 3403 2468 1989 1375 508 23 N ATOM 1583 NH2 ARG A 194 56.970 58.966 82.456 1.00 19.73 N ANISOU 1583 NH2 ARG A 194 3078 2579 1839 1355 449 -236 N ATOM 0 H ARG A 194 61.982 54.048 86.532 1.00 18.40 H new ATOM 0 HA ARG A 194 61.304 55.373 84.419 1.00 18.05 H new ATOM 0 HB2 ARG A 194 59.677 54.273 85.627 1.00 17.64 H new ATOM 0 HB3 ARG A 194 59.880 55.233 86.839 1.00 17.64 H new ATOM 0 HG2 ARG A 194 57.937 55.865 85.672 1.00 17.46 H new ATOM 0 HG3 ARG A 194 58.970 57.031 85.604 1.00 17.46 H new ATOM 0 HD2 ARG A 194 59.630 56.309 83.419 1.00 16.99 H new ATOM 0 HD3 ARG A 194 58.579 55.159 83.487 1.00 16.99 H new ATOM 0 HE ARG A 194 56.955 56.647 83.116 1.00 17.88 H new ATOM 0 HH11 ARG A 194 59.807 58.261 83.417 1.00 20.69 H new ATOM 0 HH12 ARG A 194 59.321 59.566 82.887 1.00 20.69 H new ATOM 0 HH21 ARG A 194 56.184 58.629 82.367 1.00 19.73 H new ATOM 0 HH22 ARG A 194 57.112 59.788 82.247 1.00 19.73 H new ATOM 1584 N SER A 195 62.213 57.201 86.850 1.00 19.30 N ANISOU 1584 N SER A 195 3197 2285 1850 1010 393 -367 N ATOM 1585 CA SER A 195 62.594 58.555 87.245 1.00 20.57 C ANISOU 1585 CA SER A 195 3576 2311 1928 1104 318 -497 C ATOM 1586 C SER A 195 63.899 59.085 86.626 1.00 21.17 C ANISOU 1586 C SER A 195 3753 2149 2141 728 342 -498 C ATOM 1587 O SER A 195 64.214 60.257 86.779 1.00 22.59 O ANISOU 1587 O SER A 195 4035 2245 2305 619 394 -586 O ATOM 1588 CB SER A 195 62.682 58.647 88.753 1.00 22.68 C ANISOU 1588 CB SER A 195 3957 2801 1858 1155 203 -640 C ATOM 1589 OG SER A 195 61.384 58.502 89.331 1.00 22.57 O ANISOU 1589 OG SER A 195 3933 2826 1815 849 241 -547 O ATOM 0 H SER A 195 62.380 56.596 87.438 1.00 19.30 H new ATOM 0 HA SER A 195 61.891 59.123 86.892 1.00 20.57 H new ATOM 0 HB2 SER A 195 63.274 57.957 89.092 1.00 22.68 H new ATOM 0 HB3 SER A 195 63.065 59.500 89.010 1.00 22.68 H new ATOM 0 HG SER A 195 61.442 58.553 90.167 1.00 22.57 H new ATOM 1590 N ARG A 196 64.673 58.232 85.972 1.00 20.83 N ANISOU 1590 N ARG A 196 3617 2140 2158 423 292 -448 N ATOM 1591 CA ARG A 196 65.867 58.726 85.309 1.00 21.14 C ANISOU 1591 CA ARG A 196 3525 2257 2252 320 319 -447 C ATOM 1592 C ARG A 196 65.434 59.606 84.140 1.00 21.01 C ANISOU 1592 C ARG A 196 3597 2036 2349 484 357 -493 C ATOM 1593 O ARG A 196 64.512 59.257 83.409 1.00 20.78 O ANISOU 1593 O ARG A 196 3437 2197 2263 718 412 -348 O ATOM 1594 CB ARG A 196 66.739 57.571 84.823 1.00 21.63 C ANISOU 1594 CB ARG A 196 3499 2413 2307 272 325 -339 C ATOM 1595 CG ARG A 196 67.316 56.716 85.947 1.00 21.43 C ANISOU 1595 CG ARG A 196 3178 2643 2322 212 223 -280 C ATOM 1596 CD ARG A 196 68.066 55.516 85.366 1.00 22.57 C ANISOU 1596 CD ARG A 196 3353 2891 2332 154 62 -267 C ATOM 1597 NE ARG A 196 69.307 55.905 84.694 1.00 23.10 N ANISOU 1597 NE ARG A 196 3333 3060 2385 -73 -1 -253 N ATOM 1598 CZ ARG A 196 70.506 55.965 85.271 1.00 24.48 C ANISOU 1598 CZ ARG A 196 3532 3247 2523 -430 -45 -296 C ATOM 1599 NH1 ARG A 196 70.654 55.693 86.566 1.00 24.30 N ANISOU 1599 NH1 ARG A 196 3423 3291 2518 -174 -46 -274 N ATOM 1600 NH2 ARG A 196 71.561 56.312 84.563 1.00 24.95 N ANISOU 1600 NH2 ARG A 196 3393 3419 2666 -464 -58 -487 N ATOM 0 H ARG A 196 64.531 57.387 85.901 1.00 20.83 H new ATOM 0 HA ARG A 196 66.399 59.243 85.934 1.00 21.14 H new ATOM 0 HB2 ARG A 196 66.213 57.006 84.236 1.00 21.63 H new ATOM 0 HB3 ARG A 196 67.469 57.929 84.294 1.00 21.63 H new ATOM 0 HG2 ARG A 196 67.917 57.248 86.492 1.00 21.43 H new ATOM 0 HG3 ARG A 196 66.602 56.409 86.528 1.00 21.43 H new ATOM 0 HD2 ARG A 196 68.269 54.889 86.078 1.00 22.57 H new ATOM 0 HD3 ARG A 196 67.492 55.053 84.736 1.00 22.57 H new ATOM 0 HE ARG A 196 69.258 56.111 83.861 1.00 23.10 H new ATOM 0 HH11 ARG A 196 69.971 55.475 87.041 1.00 24.30 H new ATOM 0 HH12 ARG A 196 71.433 55.735 86.928 1.00 24.30 H new ATOM 0 HH21 ARG A 196 71.476 56.500 83.728 1.00 24.95 H new ATOM 0 HH22 ARG A 196 72.335 56.351 84.936 1.00 24.95 H new ATOM 1601 N PRO A 197 66.095 60.752 83.952 1.00 23.56 N ANISOU 1601 N PRO A 197 4140 2104 2706 439 327 -550 N ATOM 1602 CA PRO A 197 65.698 61.668 82.879 1.00 24.78 C ANISOU 1602 CA PRO A 197 4420 2282 2712 317 460 -483 C ATOM 1603 C PRO A 197 65.725 61.025 81.492 1.00 21.78 C ANISOU 1603 C PRO A 197 3861 1927 2486 225 472 -174 C ATOM 1604 O PRO A 197 64.875 61.336 80.672 1.00 21.31 O ANISOU 1604 O PRO A 197 3751 1885 2459 437 555 -51 O ATOM 1605 CB PRO A 197 66.726 62.795 82.981 1.00 28.10 C ANISOU 1605 CB PRO A 197 4919 2684 3072 183 347 -688 C ATOM 1606 CG PRO A 197 67.135 62.776 84.418 1.00 29.68 C ANISOU 1606 CG PRO A 197 5212 2913 3152 94 -86 -655 C ATOM 1607 CD PRO A 197 67.105 61.345 84.845 1.00 27.42 C ANISOU 1607 CD PRO A 197 4652 2735 3032 51 43 -599 C ATOM 0 HA PRO A 197 64.780 61.963 82.982 1.00 24.78 H new ATOM 0 HB2 PRO A 197 67.482 62.641 82.394 1.00 28.10 H new ATOM 0 HB3 PRO A 197 66.342 63.650 82.731 1.00 28.10 H new ATOM 0 HG2 PRO A 197 68.022 63.152 84.530 1.00 29.68 H new ATOM 0 HG3 PRO A 197 66.531 63.310 84.957 1.00 29.68 H new ATOM 0 HD2 PRO A 197 67.971 60.921 84.739 1.00 27.42 H new ATOM 0 HD3 PRO A 197 66.857 61.254 85.778 1.00 27.42 H new ATOM 1608 N ALA A 198 66.680 60.131 81.230 1.00 19.92 N ANISOU 1608 N ALA A 198 3491 1707 2372 155 381 -107 N ATOM 1609 CA ALA A 198 66.756 59.524 79.915 1.00 18.99 C ANISOU 1609 CA ALA A 198 3265 1754 2196 124 308 -97 C ATOM 1610 C ALA A 198 65.505 58.681 79.626 1.00 18.78 C ANISOU 1610 C ALA A 198 3067 1973 2096 540 364 -170 C ATOM 1611 O ALA A 198 65.082 58.551 78.479 1.00 18.66 O ANISOU 1611 O ALA A 198 2897 2132 2060 645 404 -75 O ATOM 1612 CB ALA A 198 67.995 58.641 79.791 1.00 18.97 C ANISOU 1612 CB ALA A 198 3112 1938 2156 -55 198 35 C ATOM 0 H ALA A 198 67.278 59.871 81.790 1.00 19.92 H new ATOM 0 HA ALA A 198 66.812 60.244 79.268 1.00 18.99 H new ATOM 0 HB1 ALA A 198 68.024 58.247 78.905 1.00 18.97 H new ATOM 0 HB2 ALA A 198 68.791 59.178 79.932 1.00 18.97 H new ATOM 0 HB3 ALA A 198 67.959 57.937 80.457 1.00 18.97 H new ATOM 1613 N THR A 199 64.954 58.067 80.659 1.00 18.49 N ANISOU 1613 N THR A 199 3080 1858 2089 760 369 -240 N ATOM 1614 CA THR A 199 63.781 57.223 80.470 1.00 18.10 C ANISOU 1614 CA THR A 199 3033 1834 2009 851 372 -246 C ATOM 1615 C THR A 199 62.604 58.084 80.012 1.00 19.01 C ANISOU 1615 C THR A 199 3136 2078 2009 899 364 -162 C ATOM 1616 O THR A 199 61.898 57.737 79.050 1.00 19.46 O ANISOU 1616 O THR A 199 3197 2254 1944 971 347 -118 O ATOM 1617 CB THR A 199 63.410 56.466 81.737 1.00 17.97 C ANISOU 1617 CB THR A 199 2816 2042 1970 833 302 -283 C ATOM 1618 OG1 THR A 199 64.541 55.717 82.215 1.00 17.76 O ANISOU 1618 OG1 THR A 199 2647 2069 2033 631 288 -256 O ATOM 1619 CG2 THR A 199 62.260 55.500 81.465 1.00 16.48 C ANISOU 1619 CG2 THR A 199 2335 2013 1915 1103 191 -343 C ATOM 0 H THR A 199 65.237 58.122 81.469 1.00 18.49 H new ATOM 0 HA THR A 199 63.995 56.563 79.792 1.00 18.10 H new ATOM 0 HB THR A 199 63.137 57.113 82.406 1.00 17.97 H new ATOM 0 HG1 THR A 199 64.505 55.659 83.052 1.00 17.76 H new ATOM 0 HG21 THR A 199 62.036 55.026 82.281 1.00 16.48 H new ATOM 0 HG22 THR A 199 61.486 55.997 81.157 1.00 16.48 H new ATOM 0 HG23 THR A 199 62.527 54.863 80.784 1.00 16.48 H new ATOM 1620 N GLY A 200 62.408 59.208 80.679 1.00 19.95 N ANISOU 1620 N GLY A 200 3492 1991 2096 1103 352 -48 N ATOM 1621 CA GLY A 200 61.367 60.154 80.258 1.00 21.20 C ANISOU 1621 CA GLY A 200 3543 2346 2167 1175 342 94 C ATOM 1622 C GLY A 200 61.595 60.657 78.834 1.00 23.95 C ANISOU 1622 C GLY A 200 3949 2915 2237 1241 417 122 C ATOM 1623 O GLY A 200 60.646 60.796 78.061 1.00 23.62 O ANISOU 1623 O GLY A 200 3781 3001 2192 1271 562 -19 O ATOM 0 H GLY A 200 62.857 59.448 81.372 1.00 19.95 H new ATOM 0 HA2 GLY A 200 60.499 59.725 80.314 1.00 21.20 H new ATOM 0 HA3 GLY A 200 61.350 60.908 80.868 1.00 21.20 H new ATOM 1624 N GLN A 201 62.852 60.940 78.483 1.00 23.61 N ANISOU 1624 N GLN A 201 3989 2595 2386 1035 323 190 N ATOM 1625 CA GLN A 201 63.163 61.386 77.100 1.00 25.28 C ANISOU 1625 CA GLN A 201 4360 2588 2659 763 415 116 C ATOM 1626 C GLN A 201 62.789 60.296 76.084 1.00 23.53 C ANISOU 1626 C GLN A 201 4144 2442 2353 1032 392 10 C ATOM 1627 O GLN A 201 62.192 60.601 75.049 1.00 22.13 O ANISOU 1627 O GLN A 201 3942 2215 2250 1130 382 -14 O ATOM 1628 CB GLN A 201 64.639 61.764 76.951 1.00 30.10 C ANISOU 1628 CB GLN A 201 4921 3009 3508 315 650 89 C ATOM 1629 CG GLN A 201 65.008 63.086 77.645 1.00 40.43 C ANISOU 1629 CG GLN A 201 6846 3744 4770 -126 584 -187 C ATOM 1630 CD GLN A 201 66.408 63.083 78.275 1.00 52.09 C ANISOU 1630 CD GLN A 201 8520 5143 6128 -381 884 -280 C ATOM 1631 OE1 GLN A 201 66.609 63.640 79.350 1.00 54.35 O ANISOU 1631 OE1 GLN A 201 9332 4648 6671 -421 1513 -1284 O ATOM 1632 NE2 GLN A 201 67.377 62.445 77.611 1.00 53.56 N ANISOU 1632 NE2 GLN A 201 8500 5099 6752 -776 1003 762 N ATOM 0 H GLN A 201 63.530 60.885 79.009 1.00 23.61 H new ATOM 0 HA GLN A 201 62.632 62.178 76.921 1.00 25.28 H new ATOM 0 HB2 GLN A 201 65.186 61.052 77.317 1.00 30.10 H new ATOM 0 HB3 GLN A 201 64.854 61.831 76.008 1.00 30.10 H new ATOM 0 HG2 GLN A 201 64.955 63.807 76.999 1.00 40.43 H new ATOM 0 HG3 GLN A 201 64.352 63.274 78.335 1.00 40.43 H new ATOM 0 HE21 GLN A 201 67.204 62.064 76.859 1.00 53.56 H new ATOM 0 HE22 GLN A 201 68.173 62.415 77.935 1.00 53.56 H new ATOM 1633 N ALA A 202 63.114 59.044 76.402 1.00 22.78 N ANISOU 1633 N ALA A 202 3971 2426 2258 900 444 21 N ATOM 1634 CA ALA A 202 62.832 57.898 75.504 1.00 22.05 C ANISOU 1634 CA ALA A 202 3656 2588 2133 896 304 -55 C ATOM 1635 C ALA A 202 61.329 57.693 75.285 1.00 22.91 C ANISOU 1635 C ALA A 202 3668 2878 2158 925 279 -98 C ATOM 1636 O ALA A 202 60.877 57.484 74.162 1.00 22.97 O ANISOU 1636 O ALA A 202 3721 2820 2188 996 316 -147 O ATOM 1637 CB ALA A 202 63.472 56.624 76.028 1.00 20.25 C ANISOU 1637 CB ALA A 202 3096 2558 2040 850 113 -172 C ATOM 0 H ALA A 202 63.502 58.826 77.138 1.00 22.78 H new ATOM 0 HA ALA A 202 63.225 58.111 74.643 1.00 22.05 H new ATOM 0 HB1 ALA A 202 63.274 55.890 75.425 1.00 20.25 H new ATOM 0 HB2 ALA A 202 64.433 56.744 76.085 1.00 20.25 H new ATOM 0 HB3 ALA A 202 63.119 56.423 76.909 1.00 20.25 H new ATOM 1638 N LEU A 203 60.559 57.784 76.360 1.00 22.36 N ANISOU 1638 N LEU A 203 3408 2917 2172 1121 203 -130 N ATOM 1639 CA LEU A 203 59.123 57.628 76.280 1.00 21.68 C ANISOU 1639 CA LEU A 203 3392 2611 2235 1294 237 -139 C ATOM 1640 C LEU A 203 58.483 58.740 75.467 1.00 23.97 C ANISOU 1640 C LEU A 203 3822 2840 2447 1625 275 7 C ATOM 1641 O LEU A 203 57.557 58.472 74.707 1.00 26.25 O ANISOU 1641 O LEU A 203 4002 3344 2627 1845 148 84 O ATOM 1642 CB LEU A 203 58.489 57.567 77.674 1.00 21.46 C ANISOU 1642 CB LEU A 203 3276 2706 2173 1184 229 -231 C ATOM 1643 CG LEU A 203 58.839 56.309 78.461 1.00 22.43 C ANISOU 1643 CG LEU A 203 3384 2862 2275 998 366 -245 C ATOM 1644 CD1 LEU A 203 58.277 56.405 79.877 1.00 23.43 C ANISOU 1644 CD1 LEU A 203 3257 3360 2287 796 303 -325 C ATOM 1645 CD2 LEU A 203 58.299 55.079 77.757 1.00 23.38 C ANISOU 1645 CD2 LEU A 203 3570 2947 2366 869 625 -179 C ATOM 0 H LEU A 203 60.856 57.937 77.152 1.00 22.36 H new ATOM 0 HA LEU A 203 58.957 56.786 75.828 1.00 21.68 H new ATOM 0 HB2 LEU A 203 58.771 58.344 78.182 1.00 21.46 H new ATOM 0 HB3 LEU A 203 57.525 57.623 77.583 1.00 21.46 H new ATOM 0 HG LEU A 203 59.804 56.231 78.514 1.00 22.43 H new ATOM 0 HD11 LEU A 203 58.504 55.601 80.371 1.00 23.43 H new ATOM 0 HD12 LEU A 203 58.657 57.177 80.325 1.00 23.43 H new ATOM 0 HD13 LEU A 203 57.312 56.498 79.837 1.00 23.43 H new ATOM 0 HD21 LEU A 203 58.528 54.287 78.268 1.00 23.38 H new ATOM 0 HD22 LEU A 203 57.334 55.146 77.682 1.00 23.38 H new ATOM 0 HD23 LEU A 203 58.688 55.016 76.871 1.00 23.38 H new ATOM 1646 N LEU A 204 58.977 59.969 75.621 1.00 23.89 N ANISOU 1646 N LEU A 204 3839 2744 2493 1677 376 67 N ATOM 1647 CA LEU A 204 58.401 61.096 74.900 1.00 26.02 C ANISOU 1647 CA LEU A 204 4215 2938 2735 1673 366 77 C ATOM 1648 C LEU A 204 58.651 60.913 73.409 1.00 29.28 C ANISOU 1648 C LEU A 204 4778 3356 2990 1854 327 61 C ATOM 1649 O LEU A 204 57.781 61.184 72.591 1.00 29.97 O ANISOU 1649 O LEU A 204 4874 3485 3027 2304 232 186 O ATOM 1650 CB LEU A 204 58.970 62.426 75.384 1.00 28.16 C ANISOU 1650 CB LEU A 204 4755 2978 2965 1910 348 101 C ATOM 1651 CG LEU A 204 58.421 63.665 74.687 1.00 32.53 C ANISOU 1651 CG LEU A 204 5683 3246 3432 1984 349 36 C ATOM 1652 CD1 LEU A 204 56.899 63.721 74.819 1.00 37.05 C ANISOU 1652 CD1 LEU A 204 5785 4558 3733 2352 324 -250 C ATOM 1653 CD2 LEU A 204 59.062 64.907 75.283 1.00 33.53 C ANISOU 1653 CD2 LEU A 204 6318 2915 3506 1537 430 185 C ATOM 0 H LEU A 204 59.639 60.167 76.133 1.00 23.89 H new ATOM 0 HA LEU A 204 57.446 61.119 75.071 1.00 26.02 H new ATOM 0 HB2 LEU A 204 58.799 62.506 76.335 1.00 28.16 H new ATOM 0 HB3 LEU A 204 59.933 62.409 75.269 1.00 28.16 H new ATOM 0 HG LEU A 204 58.636 63.624 73.742 1.00 32.53 H new ATOM 0 HD11 LEU A 204 56.564 64.514 74.371 1.00 37.05 H new ATOM 0 HD12 LEU A 204 56.509 62.931 74.412 1.00 37.05 H new ATOM 0 HD13 LEU A 204 56.656 63.754 75.758 1.00 37.05 H new ATOM 0 HD21 LEU A 204 58.713 65.696 74.840 1.00 33.53 H new ATOM 0 HD22 LEU A 204 58.860 64.953 76.231 1.00 33.53 H new ATOM 0 HD23 LEU A 204 60.023 64.866 75.160 1.00 33.53 H new ATOM 1654 N LYS A 205 59.832 60.406 73.059 1.00 31.54 N ANISOU 1654 N LYS A 205 5002 3792 3190 1824 427 -40 N ATOM 1655 CA LYS A 205 60.145 60.123 71.655 1.00 34.61 C ANISOU 1655 CA LYS A 205 5243 4251 3658 1684 480 -9 C ATOM 1656 C LYS A 205 59.203 59.074 71.058 1.00 33.07 C ANISOU 1656 C LYS A 205 4767 4224 3574 1495 277 37 C ATOM 1657 O LYS A 205 58.770 59.207 69.917 1.00 36.54 O ANISOU 1657 O LYS A 205 5462 4987 3436 1827 247 184 O ATOM 1658 CB LYS A 205 61.590 59.666 71.508 1.00 40.62 C ANISOU 1658 CB LYS A 205 6044 5031 4360 1210 588 142 C ATOM 1659 CG LYS A 205 62.600 60.756 71.770 1.00 46.93 C ANISOU 1659 CG LYS A 205 7119 5418 5294 846 501 507 C ATOM 1660 CD LYS A 205 63.396 61.083 70.518 1.00 53.86 C ANISOU 1660 CD LYS A 205 7948 6158 6357 844 254 895 C ATOM 1661 CE LYS A 205 64.145 62.409 70.665 1.00 60.56 C ANISOU 1661 CE LYS A 205 9271 6440 7300 650 -26 1062 C ATOM 1662 NZ LYS A 205 65.561 62.227 71.099 1.00 64.09 N ANISOU 1662 NZ LYS A 205 10261 6225 7866 389 -232 1069 N ATOM 0 H LYS A 205 60.463 60.219 73.613 1.00 31.54 H new ATOM 0 HA LYS A 205 60.020 60.950 71.163 1.00 34.61 H new ATOM 0 HB2 LYS A 205 61.752 58.931 72.120 1.00 40.62 H new ATOM 0 HB3 LYS A 205 61.722 59.322 70.611 1.00 40.62 H new ATOM 0 HG2 LYS A 205 62.145 61.553 72.084 1.00 46.93 H new ATOM 0 HG3 LYS A 205 63.204 60.477 72.476 1.00 46.93 H new ATOM 0 HD2 LYS A 205 64.029 60.370 70.339 1.00 53.86 H new ATOM 0 HD3 LYS A 205 62.798 61.130 69.755 1.00 53.86 H new ATOM 0 HE2 LYS A 205 64.129 62.881 69.818 1.00 60.56 H new ATOM 0 HE3 LYS A 205 63.683 62.967 71.309 1.00 60.56 H new ATOM 0 HZ1 LYS A 205 65.875 62.996 71.419 1.00 64.09 H new ATOM 0 HZ2 LYS A 205 65.600 61.604 71.733 1.00 64.09 H new ATOM 0 HZ3 LYS A 205 66.055 61.972 70.403 1.00 64.09 H new ATOM 1663 N ALA A 206 58.874 58.042 71.837 1.00 30.79 N ANISOU 1663 N ALA A 206 3982 3910 3806 248 86 -14 N ATOM 1664 CA ALA A 206 57.937 57.007 71.416 1.00 32.23 C ANISOU 1664 CA ALA A 206 4065 4063 4119 11 9 -6 C ATOM 1665 C ALA A 206 56.624 57.614 70.952 1.00 35.24 C ANISOU 1665 C ALA A 206 4471 4471 4447 0 0 0 C ATOM 1666 O ALA A 206 55.875 56.973 70.214 1.00 36.69 O ANISOU 1666 O ALA A 206 4684 4684 4573 0 0 0 O ATOM 1667 CB ALA A 206 57.678 56.035 72.541 1.00 32.94 C ANISOU 1667 CB ALA A 206 4185 4185 4147 0 0 0 C ATOM 0 H ALA A 206 59.191 57.925 72.628 1.00 30.79 H new ATOM 0 HA ALA A 206 58.339 56.532 70.672 1.00 32.23 H new ATOM 0 HB1 ALA A 206 57.054 55.355 72.244 1.00 32.94 H new ATOM 0 HB2 ALA A 206 58.512 55.615 72.805 1.00 32.94 H new ATOM 0 HB3 ALA A 206 57.302 56.510 73.299 1.00 32.94 H new ATOM 1668 N GLN A 207 56.341 58.839 71.370 1.00 44.41 N ANISOU 1668 N GLN A 207 5603 5603 5669 0 0 0 N ATOM 1669 CA GLN A 207 55.113 59.513 70.968 1.00 48.81 C ANISOU 1669 CA GLN A 207 6204 6204 6139 0 0 0 C ATOM 1670 C GLN A 207 55.239 60.101 69.568 1.00 54.67 C ANISOU 1670 C GLN A 207 6968 6968 6838 0 0 0 C ATOM 1671 O GLN A 207 54.328 59.822 68.731 1.00 57.27 O ANISOU 1671 O GLN A 207 7336 7336 7088 0 0 0 O ATOM 1672 CB GLN A 207 54.751 60.615 71.959 1.00 46.38 C ANISOU 1672 CB GLN A 207 5859 5859 5906 0 0 0 C ATOM 1673 CG GLN A 207 54.038 60.129 73.206 1.00 44.36 C ANISOU 1673 CG GLN A 207 5582 5582 5691 0 0 0 C ATOM 1674 CD GLN A 207 53.753 61.253 74.180 1.00 43.71 C ANISOU 1674 CD GLN A 207 5531 5531 5545 0 0 0 C ATOM 1675 OE1 GLN A 207 53.269 62.310 73.796 1.00 43.66 O ANISOU 1675 OE1 GLN A 207 5533 5533 5524 0 0 0 O ATOM 1676 NE2 GLN A 207 54.061 61.027 75.447 1.00 42.84 N ANISOU 1676 NE2 GLN A 207 5401 5401 5474 0 0 0 N ATOM 0 H GLN A 207 56.848 59.300 71.889 1.00 44.41 H new ATOM 0 HA GLN A 207 54.406 58.849 70.961 1.00 48.81 H new ATOM 0 HB2 GLN A 207 55.562 61.076 72.223 1.00 46.38 H new ATOM 0 HB3 GLN A 207 54.188 61.265 71.511 1.00 46.38 H new ATOM 0 HG2 GLN A 207 53.204 59.703 72.954 1.00 44.36 H new ATOM 0 HG3 GLN A 207 54.580 59.454 73.644 1.00 44.36 H new ATOM 0 HE21 GLN A 207 54.400 60.271 75.679 1.00 42.84 H new ATOM 0 HE22 GLN A 207 53.922 61.636 76.038 1.00 42.84 H new TER 1677 GLN A 207 ATOM 1678 N MET B 1 89.752 24.598 85.238 1.00 53.54 N ANISOU 1678 N MET B 1 5216 7252 7873 892 -477 262 N ATOM 1679 CA MET B 1 88.660 23.613 85.377 1.00 47.50 C ANISOU 1679 CA MET B 1 4151 6940 6956 937 -716 637 C ATOM 1680 C MET B 1 87.292 24.311 85.362 1.00 37.99 C ANISOU 1680 C MET B 1 3538 5682 5213 531 -376 695 C ATOM 1681 O MET B 1 87.038 25.285 86.093 1.00 34.41 O ANISOU 1681 O MET B 1 3096 5203 4777 329 -378 844 O ATOM 1682 CB MET B 1 88.820 22.799 86.656 1.00 54.44 C ANISOU 1682 CB MET B 1 4928 8196 7560 976 -714 1104 C ATOM 1683 CG MET B 1 87.898 21.587 86.740 1.00 67.38 C ANISOU 1683 CG MET B 1 8522 8783 8297 790 -365 1259 C ATOM 1684 SD MET B 1 88.006 20.394 85.384 1.00 73.59 S ANISOU 1684 SD MET B 1 8362 10268 9329 1610 -885 1055 S ATOM 1685 CE MET B 1 89.747 19.971 85.379 1.00 72.16 C ANISOU 1685 CE MET B 1 7792 9693 9931 1634 -828 1051 C ATOM 0 H1 MET B 1 90.536 24.176 85.249 1.00 53.54 H new ATOM 0 H2 MET B 1 89.661 25.035 84.468 1.00 53.54 H new ATOM 0 H3 MET B 1 89.718 25.177 85.913 1.00 53.54 H new ATOM 0 HA MET B 1 88.708 23.008 84.620 1.00 47.50 H new ATOM 0 HB2 MET B 1 89.740 22.499 86.725 1.00 54.44 H new ATOM 0 HB3 MET B 1 88.652 23.375 87.418 1.00 54.44 H new ATOM 0 HG2 MET B 1 88.084 21.121 87.570 1.00 67.38 H new ATOM 0 HG3 MET B 1 86.983 21.905 86.793 1.00 67.38 H new ATOM 0 HE1 MET B 1 89.905 19.257 84.742 1.00 72.16 H new ATOM 0 HE2 MET B 1 90.269 20.749 85.127 1.00 72.16 H new ATOM 0 HE3 MET B 1 90.012 19.678 86.265 1.00 72.16 H new ATOM 1686 N ILE B 2 86.436 23.803 84.486 1.00 28.57 N ANISOU 1686 N ILE B 2 2241 4402 4214 841 43 723 N ATOM 1687 CA ILE B 2 85.080 24.255 84.368 1.00 24.60 C ANISOU 1687 CA ILE B 2 2157 3496 3694 744 80 814 C ATOM 1688 C ILE B 2 84.172 23.139 84.889 1.00 24.20 C ANISOU 1688 C ILE B 2 2474 3311 3408 775 143 901 C ATOM 1689 O ILE B 2 84.262 22.003 84.437 1.00 25.97 O ANISOU 1689 O ILE B 2 2972 3322 3573 982 438 879 O ATOM 1690 CB ILE B 2 84.701 24.534 82.895 1.00 25.80 C ANISOU 1690 CB ILE B 2 2334 3725 3742 696 -42 802 C ATOM 1691 CG1 ILE B 2 85.610 25.595 82.255 1.00 29.17 C ANISOU 1691 CG1 ILE B 2 2991 3924 4170 446 216 689 C ATOM 1692 CG2 ILE B 2 83.225 24.892 82.782 1.00 25.29 C ANISOU 1692 CG2 ILE B 2 2327 3864 3418 795 -349 843 C ATOM 1693 CD1 ILE B 2 85.443 26.975 82.822 1.00 32.38 C ANISOU 1693 CD1 ILE B 2 3437 4352 4515 1077 426 493 C ATOM 0 H ILE B 2 86.641 23.174 83.937 1.00 28.57 H new ATOM 0 HA ILE B 2 84.978 25.077 84.872 1.00 24.60 H new ATOM 0 HB ILE B 2 84.846 23.719 82.390 1.00 25.80 H new ATOM 0 HG12 ILE B 2 86.534 25.322 82.364 1.00 29.17 H new ATOM 0 HG13 ILE B 2 85.433 25.625 81.302 1.00 29.17 H new ATOM 0 HG21 ILE B 2 83.004 25.064 81.853 1.00 25.29 H new ATOM 0 HG22 ILE B 2 82.687 24.155 83.111 1.00 25.29 H new ATOM 0 HG23 ILE B 2 83.043 25.685 83.309 1.00 25.29 H new ATOM 0 HD11 ILE B 2 86.046 27.586 82.371 1.00 32.38 H new ATOM 0 HD12 ILE B 2 84.528 27.270 82.692 1.00 32.38 H new ATOM 0 HD13 ILE B 2 85.646 26.962 83.770 1.00 32.38 H new ATOM 1694 N ASP B 3 83.298 23.466 85.833 1.00 20.88 N ANISOU 1694 N ASP B 3 2099 2748 3088 789 -106 970 N ATOM 1695 CA ASP B 3 82.221 22.570 86.183 1.00 20.34 C ANISOU 1695 CA ASP B 3 2030 2806 2893 631 -209 945 C ATOM 1696 C ASP B 3 80.998 22.956 85.343 1.00 19.65 C ANISOU 1696 C ASP B 3 2110 2650 2707 480 -210 871 C ATOM 1697 O ASP B 3 80.582 24.126 85.312 1.00 19.45 O ANISOU 1697 O ASP B 3 1976 2657 2756 374 -180 791 O ATOM 1698 CB ASP B 3 81.874 22.680 87.672 1.00 22.68 C ANISOU 1698 CB ASP B 3 2401 3226 2989 591 -241 1025 C ATOM 1699 CG ASP B 3 82.939 22.095 88.571 1.00 24.60 C ANISOU 1699 CG ASP B 3 2530 3607 3208 803 -339 1139 C ATOM 1700 OD1 ASP B 3 83.757 21.304 88.066 1.00 27.08 O ANISOU 1700 OD1 ASP B 3 3000 3771 3519 1244 -324 1218 O ATOM 1701 OD2 ASP B 3 82.949 22.423 89.789 1.00 24.11 O ANISOU 1701 OD2 ASP B 3 2393 3675 3093 356 -404 1176 O ATOM 0 H ASP B 3 83.316 24.201 86.278 1.00 20.88 H new ATOM 0 HA ASP B 3 82.491 21.655 86.007 1.00 20.34 H new ATOM 0 HB2 ASP B 3 81.742 23.614 87.900 1.00 22.68 H new ATOM 0 HB3 ASP B 3 81.033 22.226 87.837 1.00 22.68 H new ATOM 1702 N LEU B 4 80.426 21.967 84.656 1.00 18.96 N ANISOU 1702 N LEU B 4 2101 2488 2615 535 -143 866 N ATOM 1703 CA LEU B 4 79.213 22.181 83.860 1.00 17.43 C ANISOU 1703 CA LEU B 4 1923 2162 2538 481 -12 795 C ATOM 1704 C LEU B 4 78.060 21.417 84.475 1.00 17.74 C ANISOU 1704 C LEU B 4 2118 2087 2536 407 4 795 C ATOM 1705 O LEU B 4 78.080 20.203 84.519 1.00 18.97 O ANISOU 1705 O LEU B 4 2454 2152 2603 482 -61 865 O ATOM 1706 CB LEU B 4 79.428 21.746 82.406 1.00 18.39 C ANISOU 1706 CB LEU B 4 2044 2416 2526 299 19 801 C ATOM 1707 CG LEU B 4 78.185 21.759 81.508 1.00 18.26 C ANISOU 1707 CG LEU B 4 2189 2233 2517 427 65 727 C ATOM 1708 CD1 LEU B 4 77.534 23.125 81.472 1.00 17.21 C ANISOU 1708 CD1 LEU B 4 2026 2079 2434 242 49 755 C ATOM 1709 CD2 LEU B 4 78.533 21.284 80.093 1.00 19.14 C ANISOU 1709 CD2 LEU B 4 2444 2219 2611 649 144 629 C ATOM 0 H LEU B 4 80.725 21.161 84.637 1.00 18.96 H new ATOM 0 HA LEU B 4 79.004 23.128 83.860 1.00 17.43 H new ATOM 0 HB2 LEU B 4 80.097 22.325 82.010 1.00 18.39 H new ATOM 0 HB3 LEU B 4 79.795 20.848 82.407 1.00 18.39 H new ATOM 0 HG LEU B 4 77.542 21.141 81.890 1.00 18.26 H new ATOM 0 HD11 LEU B 4 76.754 23.097 80.897 1.00 17.21 H new ATOM 0 HD12 LEU B 4 77.265 23.379 82.369 1.00 17.21 H new ATOM 0 HD13 LEU B 4 78.166 23.776 81.128 1.00 17.21 H new ATOM 0 HD21 LEU B 4 77.735 21.299 79.541 1.00 19.14 H new ATOM 0 HD22 LEU B 4 79.202 21.872 79.710 1.00 19.14 H new ATOM 0 HD23 LEU B 4 78.882 20.380 80.132 1.00 19.14 H new ATOM 1710 N TYR B 5 77.066 22.176 84.960 1.00 16.62 N ANISOU 1710 N TYR B 5 1952 1928 2433 284 3 810 N ATOM 1711 CA TYR B 5 75.821 21.625 85.482 1.00 16.23 C ANISOU 1711 CA TYR B 5 1908 1922 2335 249 9 774 C ATOM 1712 C TYR B 5 74.895 21.401 84.298 1.00 16.10 C ANISOU 1712 C TYR B 5 2053 1773 2292 53 35 754 C ATOM 1713 O TYR B 5 74.539 22.351 83.610 1.00 16.45 O ANISOU 1713 O TYR B 5 2080 1935 2234 21 26 764 O ATOM 1714 CB TYR B 5 75.252 22.588 86.525 1.00 16.88 C ANISOU 1714 CB TYR B 5 1926 2188 2301 68 -13 724 C ATOM 1715 CG TYR B 5 76.139 22.602 87.762 1.00 17.09 C ANISOU 1715 CG TYR B 5 2056 2097 2340 188 -47 800 C ATOM 1716 CD1 TYR B 5 77.268 23.402 87.819 1.00 16.94 C ANISOU 1716 CD1 TYR B 5 1982 2108 2348 165 -156 821 C ATOM 1717 CD2 TYR B 5 75.883 21.778 88.846 1.00 18.03 C ANISOU 1717 CD2 TYR B 5 2230 2282 2338 275 -14 834 C ATOM 1718 CE1 TYR B 5 78.100 23.388 88.932 1.00 17.84 C ANISOU 1718 CE1 TYR B 5 2330 2057 2393 197 -223 836 C ATOM 1719 CE2 TYR B 5 76.716 21.770 89.962 1.00 19.35 C ANISOU 1719 CE2 TYR B 5 2321 2664 2366 209 -49 776 C ATOM 1720 CZ TYR B 5 77.824 22.584 89.998 1.00 19.45 C ANISOU 1720 CZ TYR B 5 2317 2637 2435 226 -136 788 C ATOM 1721 OH TYR B 5 78.673 22.550 91.123 1.00 21.82 O ANISOU 1721 OH TYR B 5 2520 3288 2481 520 -133 733 O ATOM 0 H TYR B 5 77.103 23.035 84.992 1.00 16.62 H new ATOM 0 HA TYR B 5 75.947 20.775 85.932 1.00 16.23 H new ATOM 0 HB2 TYR B 5 75.191 23.481 86.152 1.00 16.88 H new ATOM 0 HB3 TYR B 5 74.352 22.319 86.767 1.00 16.88 H new ATOM 0 HD1 TYR B 5 77.473 23.957 87.101 1.00 16.94 H new ATOM 0 HD2 TYR B 5 75.140 21.219 88.828 1.00 18.03 H new ATOM 0 HE1 TYR B 5 78.853 23.933 88.950 1.00 17.84 H new ATOM 0 HE2 TYR B 5 76.523 21.215 90.683 1.00 19.35 H new ATOM 0 HH TYR B 5 78.367 22.010 91.689 1.00 21.82 H new ATOM 1722 N PHE B 6 74.453 20.161 84.120 1.00 16.85 N ANISOU 1722 N PHE B 6 2221 1771 2410 128 60 672 N ATOM 1723 CA PHE B 6 74.041 19.677 82.818 1.00 17.41 C ANISOU 1723 CA PHE B 6 2382 1692 2541 -3 122 574 C ATOM 1724 C PHE B 6 72.860 18.717 82.875 1.00 18.00 C ANISOU 1724 C PHE B 6 2576 1727 2538 -145 149 604 C ATOM 1725 O PHE B 6 72.704 17.938 83.840 1.00 19.52 O ANISOU 1725 O PHE B 6 2968 1912 2536 -103 72 737 O ATOM 1726 CB PHE B 6 75.235 18.959 82.200 1.00 19.18 C ANISOU 1726 CB PHE B 6 2573 2059 2654 73 130 477 C ATOM 1727 CG PHE B 6 74.947 18.252 80.893 1.00 19.27 C ANISOU 1727 CG PHE B 6 2645 1933 2745 42 34 575 C ATOM 1728 CD1 PHE B 6 75.095 18.915 79.684 1.00 20.38 C ANISOU 1728 CD1 PHE B 6 2701 2270 2773 -222 35 517 C ATOM 1729 CD2 PHE B 6 74.570 16.921 80.884 1.00 20.51 C ANISOU 1729 CD2 PHE B 6 3163 1863 2765 164 41 696 C ATOM 1730 CE1 PHE B 6 74.882 18.249 78.490 1.00 21.68 C ANISOU 1730 CE1 PHE B 6 3241 2202 2795 105 92 427 C ATOM 1731 CE2 PHE B 6 74.342 16.247 79.693 1.00 21.25 C ANISOU 1731 CE2 PHE B 6 3197 2098 2778 -1 163 647 C ATOM 1732 CZ PHE B 6 74.480 16.926 78.499 1.00 21.62 C ANISOU 1732 CZ PHE B 6 3324 2050 2839 189 107 528 C ATOM 0 H PHE B 6 74.385 19.581 84.751 1.00 16.85 H new ATOM 0 HA PHE B 6 73.751 20.438 82.292 1.00 17.41 H new ATOM 0 HB2 PHE B 6 75.944 19.605 82.054 1.00 19.18 H new ATOM 0 HB3 PHE B 6 75.570 18.309 82.837 1.00 19.18 H new ATOM 0 HD1 PHE B 6 75.339 19.812 79.676 1.00 20.38 H new ATOM 0 HD2 PHE B 6 74.468 16.470 81.691 1.00 20.51 H new ATOM 0 HE1 PHE B 6 75.009 18.691 77.682 1.00 21.68 H new ATOM 0 HE2 PHE B 6 74.099 15.349 79.699 1.00 21.25 H new ATOM 0 HZ PHE B 6 74.302 16.491 77.696 1.00 21.62 H new ATOM 1733 N ALA B 7 72.030 18.783 81.828 1.00 18.46 N ANISOU 1733 N ALA B 7 2680 1818 2515 -258 227 466 N ATOM 1734 CA ALA B 7 71.084 17.705 81.521 1.00 18.15 C ANISOU 1734 CA ALA B 7 2741 1583 2574 -181 197 417 C ATOM 1735 C ALA B 7 71.127 17.527 80.008 1.00 18.57 C ANISOU 1735 C ALA B 7 2861 1550 2645 -73 175 482 C ATOM 1736 O ALA B 7 71.457 18.481 79.312 1.00 19.26 O ANISOU 1736 O ALA B 7 2965 1930 2423 -210 254 544 O ATOM 1737 CB ALA B 7 69.689 18.038 81.996 1.00 19.56 C ANISOU 1737 CB ALA B 7 2828 1963 2642 -210 172 305 C ATOM 0 H ALA B 7 72.000 19.447 81.282 1.00 18.46 H new ATOM 0 HA ALA B 7 71.328 16.886 81.979 1.00 18.15 H new ATOM 0 HB1 ALA B 7 69.090 17.307 81.778 1.00 19.56 H new ATOM 0 HB2 ALA B 7 69.698 18.173 82.956 1.00 19.56 H new ATOM 0 HB3 ALA B 7 69.383 18.848 81.559 1.00 19.56 H new ATOM 1738 N PRO B 8 70.866 16.312 79.513 1.00 21.32 N ANISOU 1738 N PRO B 8 3251 1838 3011 -350 111 380 N ATOM 1739 CA PRO B 8 70.983 16.040 78.082 1.00 23.96 C ANISOU 1739 CA PRO B 8 3729 2185 3188 -420 47 262 C ATOM 1740 C PRO B 8 69.794 16.661 77.356 1.00 23.64 C ANISOU 1740 C PRO B 8 3607 2190 3184 -381 -31 289 C ATOM 1741 O PRO B 8 68.777 16.016 77.119 1.00 26.04 O ANISOU 1741 O PRO B 8 3650 2782 3463 -503 -1 357 O ATOM 1742 CB PRO B 8 70.998 14.503 78.002 1.00 26.23 C ANISOU 1742 CB PRO B 8 4237 2353 3377 -261 162 292 C ATOM 1743 CG PRO B 8 70.288 14.055 79.238 1.00 27.86 C ANISOU 1743 CG PRO B 8 4657 2488 3441 -604 218 369 C ATOM 1744 CD PRO B 8 70.594 15.090 80.294 1.00 24.60 C ANISOU 1744 CD PRO B 8 4090 1998 3259 -670 221 427 C ATOM 0 HA PRO B 8 71.773 16.417 77.663 1.00 23.96 H new ATOM 0 HB2 PRO B 8 70.549 14.187 77.203 1.00 26.23 H new ATOM 0 HB3 PRO B 8 71.905 14.160 77.972 1.00 26.23 H new ATOM 0 HG2 PRO B 8 69.333 13.988 79.084 1.00 27.86 H new ATOM 0 HG3 PRO B 8 70.593 13.177 79.514 1.00 27.86 H new ATOM 0 HD2 PRO B 8 69.847 15.213 80.900 1.00 24.60 H new ATOM 0 HD3 PRO B 8 71.358 14.834 80.834 1.00 24.60 H new ATOM 1745 N THR B 9 69.947 17.920 77.035 1.00 20.73 N ANISOU 1745 N THR B 9 2983 2044 2848 -532 -30 331 N ATOM 1746 CA THR B 9 68.906 18.746 76.435 1.00 19.08 C ANISOU 1746 CA THR B 9 2732 1923 2596 -441 73 352 C ATOM 1747 C THR B 9 69.567 19.623 75.390 1.00 18.70 C ANISOU 1747 C THR B 9 2633 2148 2324 -259 89 368 C ATOM 1748 O THR B 9 70.793 19.742 75.374 1.00 18.60 O ANISOU 1748 O THR B 9 2629 2100 2340 -153 8 400 O ATOM 1749 CB THR B 9 68.250 19.657 77.455 1.00 20.16 C ANISOU 1749 CB THR B 9 2857 2160 2642 -486 56 356 C ATOM 1750 OG1 THR B 9 69.224 20.608 77.919 1.00 21.52 O ANISOU 1750 OG1 THR B 9 2980 2480 2718 -472 3 417 O ATOM 1751 CG2 THR B 9 67.688 18.845 78.629 1.00 20.24 C ANISOU 1751 CG2 THR B 9 2884 2145 2662 -431 19 330 C ATOM 0 H THR B 9 70.685 18.344 77.161 1.00 20.73 H new ATOM 0 HA THR B 9 68.225 18.165 76.061 1.00 19.08 H new ATOM 0 HB THR B 9 67.508 20.125 77.040 1.00 20.16 H new ATOM 0 HG1 THR B 9 68.837 21.318 78.146 1.00 21.52 H new ATOM 0 HG21 THR B 9 67.274 19.445 79.269 1.00 20.24 H new ATOM 0 HG22 THR B 9 67.026 18.216 78.301 1.00 20.24 H new ATOM 0 HG23 THR B 9 68.408 18.360 79.061 1.00 20.24 H new ATOM 1752 N PRO B 10 68.762 20.293 74.546 1.00 17.13 N ANISOU 1752 N PRO B 10 2307 2040 2161 -430 73 329 N ATOM 1753 CA PRO B 10 69.408 21.186 73.561 1.00 16.01 C ANISOU 1753 CA PRO B 10 2157 1889 2038 -371 88 282 C ATOM 1754 C PRO B 10 70.278 22.273 74.213 1.00 15.42 C ANISOU 1754 C PRO B 10 1961 1870 2026 -206 77 273 C ATOM 1755 O PRO B 10 71.377 22.565 73.718 1.00 15.98 O ANISOU 1755 O PRO B 10 2100 1928 2043 -214 135 236 O ATOM 1756 CB PRO B 10 68.221 21.788 72.817 1.00 16.35 C ANISOU 1756 CB PRO B 10 2186 2008 2020 -502 142 285 C ATOM 1757 CG PRO B 10 67.172 20.694 72.872 1.00 17.39 C ANISOU 1757 CG PRO B 10 2433 2149 2026 -581 128 320 C ATOM 1758 CD PRO B 10 67.337 20.058 74.244 1.00 17.24 C ANISOU 1758 CD PRO B 10 2347 2147 2057 -531 53 343 C ATOM 0 HA PRO B 10 70.028 20.711 72.986 1.00 16.01 H new ATOM 0 HB2 PRO B 10 67.910 22.602 73.242 1.00 16.35 H new ATOM 0 HB3 PRO B 10 68.451 22.015 71.903 1.00 16.35 H new ATOM 0 HG2 PRO B 10 66.280 21.057 72.758 1.00 17.39 H new ATOM 0 HG3 PRO B 10 67.306 20.043 72.165 1.00 17.39 H new ATOM 0 HD2 PRO B 10 66.757 20.470 74.903 1.00 17.24 H new ATOM 0 HD3 PRO B 10 67.124 19.112 74.230 1.00 17.24 H new ATOM 1759 N ASN B 11 69.827 22.853 75.325 1.00 14.89 N ANISOU 1759 N ASN B 11 1800 1893 1966 -280 40 308 N ATOM 1760 CA ASN B 11 70.630 23.924 75.925 1.00 14.89 C ANISOU 1760 CA ASN B 11 1799 1890 1968 -156 40 339 C ATOM 1761 C ASN B 11 71.877 23.380 76.627 1.00 15.04 C ANISOU 1761 C ASN B 11 1783 1817 2116 -34 61 352 C ATOM 1762 O ASN B 11 72.922 24.033 76.644 1.00 15.51 O ANISOU 1762 O ASN B 11 1821 1914 2157 -23 54 318 O ATOM 1763 CB ASN B 11 69.758 24.727 76.886 1.00 13.90 C ANISOU 1763 CB ASN B 11 1598 1765 1919 -285 52 384 C ATOM 1764 CG ASN B 11 68.637 25.452 76.141 1.00 14.64 C ANISOU 1764 CG ASN B 11 1630 1970 1964 -298 14 418 C ATOM 1765 OD1 ASN B 11 68.875 26.006 75.075 1.00 15.36 O ANISOU 1765 OD1 ASN B 11 1839 2042 1955 -129 -4 343 O ATOM 1766 ND2 ASN B 11 67.418 25.417 76.674 1.00 15.89 N ANISOU 1766 ND2 ASN B 11 1619 2411 2007 -327 -25 518 N ATOM 0 H ASN B 11 69.096 22.656 75.733 1.00 14.89 H new ATOM 0 HA ASN B 11 70.947 24.507 75.217 1.00 14.89 H new ATOM 0 HB2 ASN B 11 69.376 24.134 77.552 1.00 13.90 H new ATOM 0 HB3 ASN B 11 70.305 25.373 77.360 1.00 13.90 H new ATOM 0 HD21 ASN B 11 66.760 25.793 76.267 1.00 15.89 H new ATOM 0 HD22 ASN B 11 67.288 25.018 77.425 1.00 15.89 H new ATOM 1767 N GLY B 12 71.758 22.202 77.187 1.00 15.93 N ANISOU 1767 N GLY B 12 1930 1873 2251 -22 101 443 N ATOM 1768 CA GLY B 12 72.915 21.527 77.799 1.00 17.27 C ANISOU 1768 CA GLY B 12 2120 2090 2352 36 117 463 C ATOM 1769 C GLY B 12 73.995 21.215 76.765 1.00 18.73 C ANISOU 1769 C GLY B 12 2387 2288 2440 157 198 371 C ATOM 1770 O GLY B 12 75.195 21.511 76.970 1.00 18.94 O ANISOU 1770 O GLY B 12 2355 2349 2492 188 245 340 O ATOM 0 H GLY B 12 71.021 21.761 77.232 1.00 15.93 H new ATOM 0 HA2 GLY B 12 73.287 22.089 78.497 1.00 17.27 H new ATOM 0 HA3 GLY B 12 72.624 20.704 78.222 1.00 17.27 H new ATOM 1771 N HIS B 13 73.566 20.641 75.647 1.00 17.61 N ANISOU 1771 N HIS B 13 2347 1853 2491 -8 245 354 N ATOM 1772 CA HIS B 13 74.472 20.308 74.550 1.00 18.30 C ANISOU 1772 CA HIS B 13 2473 1930 2550 64 300 352 C ATOM 1773 C HIS B 13 75.183 21.511 73.920 1.00 16.87 C ANISOU 1773 C HIS B 13 2189 1919 2300 157 299 399 C ATOM 1774 O HIS B 13 76.241 21.328 73.336 1.00 17.41 O ANISOU 1774 O HIS B 13 2266 2033 2315 354 281 403 O ATOM 1775 CB HIS B 13 73.763 19.517 73.441 1.00 20.49 C ANISOU 1775 CB HIS B 13 2930 2191 2665 72 331 224 C ATOM 1776 CG HIS B 13 73.285 18.160 73.858 1.00 23.65 C ANISOU 1776 CG HIS B 13 3570 2340 3075 39 320 191 C ATOM 1777 ND1 HIS B 13 74.090 17.249 74.507 1.00 25.04 N ANISOU 1777 ND1 HIS B 13 3827 2432 3256 46 316 169 N ATOM 1778 CD2 HIS B 13 72.081 17.560 73.711 1.00 25.00 C ANISOU 1778 CD2 HIS B 13 3805 2436 3258 -28 310 172 C ATOM 1779 CE1 HIS B 13 73.398 16.148 74.749 1.00 25.62 C ANISOU 1779 CE1 HIS B 13 3911 2479 3345 -3 308 156 C ATOM 1780 NE2 HIS B 13 72.175 16.313 74.274 1.00 25.64 N ANISOU 1780 NE2 HIS B 13 3912 2488 3341 -57 305 158 N ATOM 0 H HIS B 13 72.744 20.433 75.501 1.00 17.61 H new ATOM 0 HA HIS B 13 75.153 19.760 74.971 1.00 18.30 H new ATOM 0 HB2 HIS B 13 73.004 20.032 73.126 1.00 20.49 H new ATOM 0 HB3 HIS B 13 74.370 19.418 72.691 1.00 20.49 H new ATOM 0 HD1 HIS B 13 74.913 17.376 74.721 1.00 25.04 H new ATOM 0 HD2 HIS B 13 71.329 17.926 73.304 1.00 25.00 H new ATOM 0 HE1 HIS B 13 73.717 15.388 75.180 1.00 25.62 H new ATOM 1781 N LYS B 14 74.610 22.714 74.014 1.00 15.22 N ANISOU 1781 N LYS B 14 1924 1767 2091 38 330 413 N ATOM 1782 CA LYS B 14 75.317 23.903 73.517 1.00 14.21 C ANISOU 1782 CA LYS B 14 1658 1778 1963 103 339 433 C ATOM 1783 C LYS B 14 76.686 23.993 74.153 1.00 14.04 C ANISOU 1783 C LYS B 14 1566 1848 1919 380 338 463 C ATOM 1784 O LYS B 14 77.695 24.319 73.490 1.00 13.94 O ANISOU 1784 O LYS B 14 1496 1934 1868 481 289 451 O ATOM 1785 CB LYS B 14 74.571 25.197 73.822 1.00 14.01 C ANISOU 1785 CB LYS B 14 1652 1758 1914 47 283 426 C ATOM 1786 CG LYS B 14 73.278 25.402 73.109 1.00 14.65 C ANISOU 1786 CG LYS B 14 1784 1872 1911 75 198 416 C ATOM 1787 CD LYS B 14 72.600 26.683 73.607 1.00 14.42 C ANISOU 1787 CD LYS B 14 1695 1831 1952 -81 247 390 C ATOM 1788 CE LYS B 14 71.189 26.844 73.099 1.00 14.77 C ANISOU 1788 CE LYS B 14 1722 2000 1889 -100 263 443 C ATOM 1789 NZ LYS B 14 70.599 28.074 73.734 1.00 14.91 N ANISOU 1789 NZ LYS B 14 1675 2128 1864 131 129 508 N ATOM 0 H LYS B 14 73.834 22.864 74.352 1.00 15.22 H new ATOM 0 HA LYS B 14 75.382 23.803 72.554 1.00 14.21 H new ATOM 0 HB2 LYS B 14 74.401 25.232 74.776 1.00 14.01 H new ATOM 0 HB3 LYS B 14 75.156 25.942 73.611 1.00 14.01 H new ATOM 0 HG2 LYS B 14 73.433 25.460 72.153 1.00 14.65 H new ATOM 0 HG3 LYS B 14 72.695 24.641 73.256 1.00 14.65 H new ATOM 0 HD2 LYS B 14 72.590 26.681 74.577 1.00 14.42 H new ATOM 0 HD3 LYS B 14 73.127 27.449 73.330 1.00 14.42 H new ATOM 0 HE2 LYS B 14 71.185 26.927 72.133 1.00 14.77 H new ATOM 0 HE3 LYS B 14 70.659 26.062 73.319 1.00 14.77 H new ATOM 0 HZ1 LYS B 14 69.755 27.913 73.966 1.00 14.91 H new ATOM 0 HZ2 LYS B 14 71.069 28.289 74.458 1.00 14.91 H new ATOM 0 HZ3 LYS B 14 70.623 28.749 73.154 1.00 14.91 H new ATOM 1790 N ILE B 15 76.729 23.744 75.458 1.00 14.42 N ANISOU 1790 N ILE B 15 1566 1922 1991 447 341 462 N ATOM 1791 CA ILE B 15 77.935 24.016 76.192 1.00 14.80 C ANISOU 1791 CA ILE B 15 1648 1860 2115 468 308 451 C ATOM 1792 C ILE B 15 78.941 22.871 76.055 1.00 15.57 C ANISOU 1792 C ILE B 15 1742 1947 2227 529 373 433 C ATOM 1793 O ILE B 15 80.138 23.120 75.953 1.00 16.08 O ANISOU 1793 O ILE B 15 1753 2116 2241 409 425 438 O ATOM 1794 CB ILE B 15 77.649 24.345 77.669 1.00 14.43 C ANISOU 1794 CB ILE B 15 1429 1931 2123 298 274 504 C ATOM 1795 CG1 ILE B 15 76.554 25.432 77.761 1.00 14.91 C ANISOU 1795 CG1 ILE B 15 1518 1948 2199 234 250 474 C ATOM 1796 CG2 ILE B 15 78.928 24.874 78.329 1.00 14.95 C ANISOU 1796 CG2 ILE B 15 1458 2154 2070 271 254 542 C ATOM 1797 CD1 ILE B 15 76.776 26.643 76.907 1.00 17.31 C ANISOU 1797 CD1 ILE B 15 2009 2288 2281 435 190 500 C ATOM 0 H ILE B 15 76.079 23.424 75.921 1.00 14.42 H new ATOM 0 HA ILE B 15 78.336 24.807 75.800 1.00 14.80 H new ATOM 0 HB ILE B 15 77.349 23.541 78.121 1.00 14.43 H new ATOM 0 HG12 ILE B 15 75.704 25.034 77.517 1.00 14.91 H new ATOM 0 HG13 ILE B 15 76.479 25.716 78.685 1.00 14.91 H new ATOM 0 HG21 ILE B 15 78.750 25.082 79.260 1.00 14.95 H new ATOM 0 HG22 ILE B 15 79.623 24.199 78.276 1.00 14.95 H new ATOM 0 HG23 ILE B 15 79.222 25.676 77.869 1.00 14.95 H new ATOM 0 HD11 ILE B 15 76.042 27.265 77.031 1.00 17.31 H new ATOM 0 HD12 ILE B 15 77.609 27.071 77.162 1.00 17.31 H new ATOM 0 HD13 ILE B 15 76.821 26.378 75.975 1.00 17.31 H new ATOM 1798 N THR B 16 78.474 21.624 76.042 1.00 16.42 N ANISOU 1798 N THR B 16 1913 1943 2383 609 452 501 N ATOM 1799 CA THR B 16 79.412 20.519 75.749 1.00 17.95 C ANISOU 1799 CA THR B 16 2216 2051 2554 740 460 529 C ATOM 1800 C THR B 16 80.020 20.666 74.347 1.00 19.01 C ANISOU 1800 C THR B 16 2291 2332 2599 912 475 468 C ATOM 1801 O THR B 16 81.203 20.390 74.144 1.00 20.44 O ANISOU 1801 O THR B 16 2340 2752 2675 778 483 370 O ATOM 1802 CB THR B 16 78.772 19.119 75.857 1.00 19.33 C ANISOU 1802 CB THR B 16 2592 2063 2691 590 378 459 C ATOM 1803 OG1 THR B 16 77.573 19.079 75.077 1.00 18.72 O ANISOU 1803 OG1 THR B 16 2507 1896 2709 620 396 410 O ATOM 1804 CG2 THR B 16 78.470 18.771 77.323 1.00 19.76 C ANISOU 1804 CG2 THR B 16 2723 1997 2786 592 246 490 C ATOM 0 H THR B 16 77.659 21.394 76.191 1.00 16.42 H new ATOM 0 HA THR B 16 80.100 20.587 76.429 1.00 17.95 H new ATOM 0 HB THR B 16 79.397 18.461 75.515 1.00 19.33 H new ATOM 0 HG1 THR B 16 76.999 18.607 75.469 1.00 18.72 H new ATOM 0 HG21 THR B 16 78.069 17.889 77.370 1.00 19.76 H new ATOM 0 HG22 THR B 16 79.294 18.779 77.834 1.00 19.76 H new ATOM 0 HG23 THR B 16 77.856 19.425 77.691 1.00 19.76 H new ATOM 1805 N LEU B 17 79.219 21.104 73.387 1.00 19.03 N ANISOU 1805 N LEU B 17 2272 2370 2587 855 479 399 N ATOM 1806 CA LEU B 17 79.745 21.375 72.060 1.00 19.66 C ANISOU 1806 CA LEU B 17 2388 2365 2717 794 444 427 C ATOM 1807 C LEU B 17 80.892 22.354 72.118 1.00 19.34 C ANISOU 1807 C LEU B 17 2212 2528 2610 731 504 504 C ATOM 1808 O LEU B 17 81.973 22.084 71.578 1.00 20.40 O ANISOU 1808 O LEU B 17 2333 2734 2684 933 511 462 O ATOM 1809 CB LEU B 17 78.686 21.906 71.109 1.00 21.93 C ANISOU 1809 CB LEU B 17 2682 2501 3148 1060 242 346 C ATOM 1810 CG LEU B 17 78.257 20.980 69.985 1.00 30.34 C ANISOU 1810 CG LEU B 17 4218 3597 3712 648 17 448 C ATOM 1811 CD1 LEU B 17 77.413 19.844 70.545 1.00 35.64 C ANISOU 1811 CD1 LEU B 17 4998 4313 4232 399 -350 975 C ATOM 1812 CD2 LEU B 17 77.460 21.765 68.939 1.00 30.12 C ANISOU 1812 CD2 LEU B 17 4245 3577 3623 1064 347 200 C ATOM 0 H LEU B 17 78.377 21.250 73.482 1.00 19.03 H new ATOM 0 HA LEU B 17 80.059 20.523 71.718 1.00 19.66 H new ATOM 0 HB2 LEU B 17 77.900 22.137 71.629 1.00 21.93 H new ATOM 0 HB3 LEU B 17 79.017 22.728 70.715 1.00 21.93 H new ATOM 0 HG LEU B 17 79.045 20.606 69.562 1.00 30.34 H new ATOM 0 HD11 LEU B 17 77.142 19.256 69.823 1.00 35.64 H new ATOM 0 HD12 LEU B 17 77.933 19.342 71.192 1.00 35.64 H new ATOM 0 HD13 LEU B 17 76.625 20.209 70.978 1.00 35.64 H new ATOM 0 HD21 LEU B 17 77.189 21.168 68.224 1.00 30.12 H new ATOM 0 HD22 LEU B 17 76.673 22.150 69.354 1.00 30.12 H new ATOM 0 HD23 LEU B 17 78.013 22.474 68.576 1.00 30.12 H new ATOM 1813 N PHE B 18 80.677 23.485 72.777 1.00 18.23 N ANISOU 1813 N PHE B 18 1928 2493 2505 643 520 554 N ATOM 1814 CA PHE B 18 81.733 24.484 72.883 1.00 18.41 C ANISOU 1814 CA PHE B 18 1931 2555 2509 628 498 627 C ATOM 1815 C PHE B 18 82.978 23.922 73.563 1.00 19.29 C ANISOU 1815 C PHE B 18 1938 2697 2693 797 522 710 C ATOM 1816 O PHE B 18 84.091 24.106 73.087 1.00 20.81 O ANISOU 1816 O PHE B 18 1991 3058 2857 867 580 806 O ATOM 1817 CB PHE B 18 81.270 25.738 73.635 1.00 16.35 C ANISOU 1817 CB PHE B 18 1379 2397 2438 718 452 633 C ATOM 1818 CG PHE B 18 82.332 26.810 73.709 1.00 17.67 C ANISOU 1818 CG PHE B 18 1564 2590 2561 544 460 678 C ATOM 1819 CD1 PHE B 18 83.359 26.737 74.647 1.00 18.70 C ANISOU 1819 CD1 PHE B 18 1586 2779 2742 547 390 694 C ATOM 1820 CD2 PHE B 18 82.359 27.842 72.791 1.00 18.61 C ANISOU 1820 CD2 PHE B 18 1749 2678 2645 501 496 717 C ATOM 1821 CE1 PHE B 18 84.375 27.691 74.675 1.00 19.82 C ANISOU 1821 CE1 PHE B 18 1818 2826 2888 528 308 678 C ATOM 1822 CE2 PHE B 18 83.354 28.808 72.832 1.00 19.47 C ANISOU 1822 CE2 PHE B 18 1713 2903 2782 487 488 736 C ATOM 1823 CZ PHE B 18 84.381 28.719 73.764 1.00 20.60 C ANISOU 1823 CZ PHE B 18 1989 2940 2898 213 368 694 C ATOM 0 H PHE B 18 79.938 23.693 73.165 1.00 18.23 H new ATOM 0 HA PHE B 18 81.955 24.733 71.972 1.00 18.41 H new ATOM 0 HB2 PHE B 18 80.483 26.099 73.197 1.00 16.35 H new ATOM 0 HB3 PHE B 18 81.005 25.490 74.535 1.00 16.35 H new ATOM 0 HD1 PHE B 18 83.367 26.041 75.264 1.00 18.70 H new ATOM 0 HD2 PHE B 18 81.701 27.890 72.136 1.00 18.61 H new ATOM 0 HE1 PHE B 18 85.050 27.631 75.312 1.00 19.82 H new ATOM 0 HE2 PHE B 18 83.334 29.519 72.233 1.00 19.47 H new ATOM 0 HZ PHE B 18 85.065 29.349 73.771 1.00 20.60 H new ATOM 1824 N LEU B 19 82.788 23.272 74.707 1.00 18.66 N ANISOU 1824 N LEU B 19 1845 2536 2709 899 475 689 N ATOM 1825 CA LEU B 19 83.933 22.821 75.494 1.00 18.49 C ANISOU 1825 CA LEU B 19 1724 2549 2753 992 492 716 C ATOM 1826 C LEU B 19 84.753 21.805 74.714 1.00 19.51 C ANISOU 1826 C LEU B 19 1939 2596 2878 1040 521 654 C ATOM 1827 O LEU B 19 85.988 21.816 74.749 1.00 21.16 O ANISOU 1827 O LEU B 19 2011 3092 2937 1094 335 645 O ATOM 1828 CB LEU B 19 83.466 22.233 76.835 1.00 17.79 C ANISOU 1828 CB LEU B 19 1724 2353 2684 897 404 786 C ATOM 1829 CG LEU B 19 82.833 23.289 77.770 1.00 17.91 C ANISOU 1829 CG LEU B 19 1655 2454 2697 836 298 811 C ATOM 1830 CD1 LEU B 19 82.045 22.616 78.878 1.00 18.45 C ANISOU 1830 CD1 LEU B 19 1807 2519 2685 822 389 864 C ATOM 1831 CD2 LEU B 19 83.889 24.227 78.334 1.00 19.23 C ANISOU 1831 CD2 LEU B 19 2008 2636 2663 957 135 789 C ATOM 0 H LEU B 19 82.018 23.084 75.042 1.00 18.66 H new ATOM 0 HA LEU B 19 84.499 23.587 75.679 1.00 18.49 H new ATOM 0 HB2 LEU B 19 82.820 21.529 76.666 1.00 17.79 H new ATOM 0 HB3 LEU B 19 84.222 21.823 77.283 1.00 17.79 H new ATOM 0 HG LEU B 19 82.217 23.826 77.247 1.00 17.91 H new ATOM 0 HD11 LEU B 19 81.655 23.292 79.455 1.00 18.45 H new ATOM 0 HD12 LEU B 19 81.339 22.075 78.491 1.00 18.45 H new ATOM 0 HD13 LEU B 19 82.637 22.050 79.398 1.00 18.45 H new ATOM 0 HD21 LEU B 19 83.466 24.878 78.916 1.00 19.23 H new ATOM 0 HD22 LEU B 19 84.539 23.715 78.840 1.00 19.23 H new ATOM 0 HD23 LEU B 19 84.336 24.687 77.606 1.00 19.23 H new ATOM 1832 N GLU B 20 84.072 20.934 73.985 1.00 19.15 N ANISOU 1832 N GLU B 20 1978 2451 2849 1133 688 597 N ATOM 1833 CA GLU B 20 84.800 19.945 73.138 1.00 20.33 C ANISOU 1833 CA GLU B 20 2299 2515 2912 1197 830 496 C ATOM 1834 C GLU B 20 85.486 20.642 71.959 1.00 20.91 C ANISOU 1834 C GLU B 20 2209 2814 2923 1303 756 583 C ATOM 1835 O GLU B 20 86.602 20.324 71.625 1.00 20.80 O ANISOU 1835 O GLU B 20 2255 2717 2931 1338 702 651 O ATOM 1836 CB GLU B 20 83.850 18.864 72.626 1.00 22.81 C ANISOU 1836 CB GLU B 20 3049 2528 3088 1258 842 394 C ATOM 1837 CG GLU B 20 83.292 17.950 73.721 1.00 23.18 C ANISOU 1837 CG GLU B 20 3051 2560 3197 1283 625 530 C ATOM 1838 CD GLU B 20 84.357 17.090 74.395 1.00 23.96 C ANISOU 1838 CD GLU B 20 2992 2802 3309 1416 450 702 C ATOM 1839 OE1 GLU B 20 85.404 16.782 73.784 1.00 24.68 O ANISOU 1839 OE1 GLU B 20 2940 3079 3358 1435 539 725 O ATOM 1840 OE2 GLU B 20 84.110 16.707 75.549 1.00 24.32 O ANISOU 1840 OE2 GLU B 20 3119 2788 3333 1521 206 839 O ATOM 0 H GLU B 20 83.214 20.884 73.953 1.00 19.15 H new ATOM 0 HA GLU B 20 85.479 19.524 73.689 1.00 20.33 H new ATOM 0 HB2 GLU B 20 83.110 19.289 72.165 1.00 22.81 H new ATOM 0 HB3 GLU B 20 84.317 18.321 71.972 1.00 22.81 H new ATOM 0 HG2 GLU B 20 82.852 18.494 74.393 1.00 23.18 H new ATOM 0 HG3 GLU B 20 82.615 17.372 73.336 1.00 23.18 H new ATOM 1841 N GLU B 21 84.826 21.624 71.356 1.00 20.60 N ANISOU 1841 N GLU B 21 2073 2780 2974 1278 667 615 N ATOM 1842 CA GLU B 21 85.410 22.337 70.227 1.00 21.12 C ANISOU 1842 CA GLU B 21 2082 2911 3033 1245 694 665 C ATOM 1843 C GLU B 21 86.627 23.122 70.683 1.00 23.17 C ANISOU 1843 C GLU B 21 2247 3314 3241 1250 738 757 C ATOM 1844 O GLU B 21 87.613 23.221 69.960 1.00 24.25 O ANISOU 1844 O GLU B 21 2301 3482 3432 1370 889 852 O ATOM 1845 CB GLU B 21 84.387 23.302 69.576 1.00 21.22 C ANISOU 1845 CB GLU B 21 2152 2918 2993 1239 703 621 C ATOM 1846 CG GLU B 21 83.317 22.604 68.743 1.00 22.43 C ANISOU 1846 CG GLU B 21 2413 3125 2983 1104 714 655 C ATOM 1847 CD GLU B 21 83.780 22.177 67.341 1.00 24.96 C ANISOU 1847 CD GLU B 21 2891 3524 3068 1225 697 714 C ATOM 1848 OE1 GLU B 21 84.897 22.498 66.941 1.00 25.31 O ANISOU 1848 OE1 GLU B 21 2686 3800 3130 1511 884 737 O ATOM 1849 OE2 GLU B 21 83.011 21.502 66.623 1.00 29.20 O ANISOU 1849 OE2 GLU B 21 4094 3935 3065 1107 442 661 O ATOM 0 H GLU B 21 84.041 21.892 71.584 1.00 20.60 H new ATOM 0 HA GLU B 21 85.672 21.679 69.564 1.00 21.12 H new ATOM 0 HB2 GLU B 21 83.954 23.818 70.274 1.00 21.22 H new ATOM 0 HB3 GLU B 21 84.864 23.931 69.012 1.00 21.22 H new ATOM 0 HG2 GLU B 21 83.010 21.819 69.223 1.00 22.43 H new ATOM 0 HG3 GLU B 21 82.555 23.197 68.653 1.00 22.43 H new ATOM 1850 N ALA B 22 86.554 23.679 71.887 1.00 21.77 N ANISOU 1850 N ALA B 22 1949 2979 3344 1193 625 793 N ATOM 1851 CA ALA B 22 87.638 24.517 72.412 1.00 22.93 C ANISOU 1851 CA ALA B 22 1844 3353 3516 1036 604 891 C ATOM 1852 C ALA B 22 88.737 23.703 73.061 1.00 24.29 C ANISOU 1852 C ALA B 22 1867 3602 3759 1127 611 964 C ATOM 1853 O ALA B 22 89.812 24.224 73.337 1.00 25.73 O ANISOU 1853 O ALA B 22 1993 3895 3890 1215 548 984 O ATOM 1854 CB ALA B 22 87.092 25.546 73.406 1.00 24.94 C ANISOU 1854 CB ALA B 22 2140 3829 3507 1024 539 786 C ATOM 0 H ALA B 22 85.886 23.586 72.420 1.00 21.77 H new ATOM 0 HA ALA B 22 88.028 24.978 71.653 1.00 22.93 H new ATOM 0 HB1 ALA B 22 87.821 26.090 73.742 1.00 24.94 H new ATOM 0 HB2 ALA B 22 86.444 26.114 72.961 1.00 24.94 H new ATOM 0 HB3 ALA B 22 86.664 25.087 74.146 1.00 24.94 H new ATOM 1855 N GLY B 23 88.474 22.433 73.317 1.00 25.31 N ANISOU 1855 N GLY B 23 2113 3608 3897 1316 616 842 N ATOM 1856 CA GLY B 23 89.463 21.572 73.971 1.00 27.33 C ANISOU 1856 CA GLY B 23 2461 3855 4067 1464 533 693 C ATOM 1857 C GLY B 23 89.662 21.896 75.441 1.00 29.15 C ANISOU 1857 C GLY B 23 2519 4290 4268 1442 394 750 C ATOM 1858 O GLY B 23 90.732 21.691 75.973 1.00 32.86 O ANISOU 1858 O GLY B 23 2724 5209 4552 1862 227 790 O ATOM 0 H GLY B 23 87.732 22.044 73.123 1.00 25.31 H new ATOM 0 HA2 GLY B 23 89.185 20.647 73.885 1.00 27.33 H new ATOM 0 HA3 GLY B 23 90.312 21.657 73.510 1.00 27.33 H new ATOM 1859 N LEU B 24 88.637 22.424 76.097 1.00 26.95 N ANISOU 1859 N LEU B 24 2019 3969 4253 1181 387 893 N ATOM 1860 CA LEU B 24 88.720 22.765 77.512 1.00 27.69 C ANISOU 1860 CA LEU B 24 2000 4094 4428 1140 221 908 C ATOM 1861 C LEU B 24 88.383 21.562 78.372 1.00 32.36 C ANISOU 1861 C LEU B 24 3033 4594 4668 1116 208 1034 C ATOM 1862 O LEU B 24 87.468 20.789 78.055 1.00 34.01 O ANISOU 1862 O LEU B 24 3624 4558 4739 858 274 1175 O ATOM 1863 CB LEU B 24 87.759 23.909 77.865 1.00 27.05 C ANISOU 1863 CB LEU B 24 1813 3927 4536 1066 151 798 C ATOM 1864 CG LEU B 24 88.144 25.280 77.337 1.00 28.78 C ANISOU 1864 CG LEU B 24 2103 4069 4764 943 174 838 C ATOM 1865 CD1 LEU B 24 87.126 26.315 77.783 1.00 27.16 C ANISOU 1865 CD1 LEU B 24 2346 3442 4532 703 429 993 C ATOM 1866 CD2 LEU B 24 89.538 25.669 77.827 1.00 34.27 C ANISOU 1866 CD2 LEU B 24 2625 5265 5130 926 -102 726 C ATOM 0 H LEU B 24 87.875 22.595 75.736 1.00 26.95 H new ATOM 0 HA LEU B 24 89.631 23.049 77.687 1.00 27.69 H new ATOM 0 HB2 LEU B 24 86.878 23.686 77.526 1.00 27.05 H new ATOM 0 HB3 LEU B 24 87.686 23.961 78.831 1.00 27.05 H new ATOM 0 HG LEU B 24 88.156 25.246 76.368 1.00 28.78 H new ATOM 0 HD11 LEU B 24 87.380 27.187 77.442 1.00 27.16 H new ATOM 0 HD12 LEU B 24 86.250 26.076 77.441 1.00 27.16 H new ATOM 0 HD13 LEU B 24 87.097 26.344 78.752 1.00 27.16 H new ATOM 0 HD21 LEU B 24 89.770 26.546 77.482 1.00 34.27 H new ATOM 0 HD22 LEU B 24 89.546 25.691 78.797 1.00 34.27 H new ATOM 0 HD23 LEU B 24 90.185 25.018 77.514 1.00 34.27 H new ATOM 1867 N ASP B 25 89.124 21.400 79.464 1.00 34.66 N ANISOU 1867 N ASP B 25 3239 5088 4841 1142 205 986 N ATOM 1868 CA ASP B 25 88.809 20.352 80.436 1.00 37.70 C ANISOU 1868 CA ASP B 25 3736 5417 5173 1386 100 767 C ATOM 1869 C ASP B 25 87.597 20.765 81.230 1.00 32.21 C ANISOU 1869 C ASP B 25 3151 4484 4605 1127 201 996 C ATOM 1870 O ASP B 25 87.490 21.907 81.666 1.00 32.46 O ANISOU 1870 O ASP B 25 3060 4587 4686 1085 402 917 O ATOM 1871 CB ASP B 25 89.979 20.088 81.388 1.00 46.32 C ANISOU 1871 CB ASP B 25 4377 7065 6158 1704 -47 272 C ATOM 1872 CG ASP B 25 91.188 19.553 80.673 1.00 51.20 C ANISOU 1872 CG ASP B 25 4984 7314 7155 1880 148 432 C ATOM 1873 OD1 ASP B 25 91.020 18.715 79.746 1.00 48.61 O ANISOU 1873 OD1 ASP B 25 5203 5849 7417 2345 1050 542 O ATOM 1874 OD2 ASP B 25 92.304 19.977 81.036 1.00 60.08 O ANISOU 1874 OD2 ASP B 25 5720 9341 7765 673 -378 701 O ATOM 0 H ASP B 25 89.809 21.881 79.662 1.00 34.66 H new ATOM 0 HA ASP B 25 88.634 19.531 79.950 1.00 37.70 H new ATOM 0 HB2 ASP B 25 90.214 20.911 81.844 1.00 46.32 H new ATOM 0 HB3 ASP B 25 89.702 19.455 82.069 1.00 46.32 H new ATOM 1875 N TYR B 26 86.681 19.828 81.420 1.00 29.06 N ANISOU 1875 N TYR B 26 2762 4158 4120 1433 118 1085 N ATOM 1876 CA TYR B 26 85.519 20.124 82.229 1.00 26.00 C ANISOU 1876 CA TYR B 26 2664 3466 3747 1254 48 1063 C ATOM 1877 C TYR B 26 85.014 18.907 82.939 1.00 26.21 C ANISOU 1877 C TYR B 26 2999 3265 3695 1302 141 1014 C ATOM 1878 O TYR B 26 85.310 17.786 82.556 1.00 28.28 O ANISOU 1878 O TYR B 26 3468 3518 3758 1542 395 910 O ATOM 1879 CB TYR B 26 84.410 20.744 81.378 1.00 23.42 C ANISOU 1879 CB TYR B 26 2759 2567 3573 1184 -51 992 C ATOM 1880 CG TYR B 26 83.860 19.856 80.292 1.00 23.39 C ANISOU 1880 CG TYR B 26 2501 2936 3450 1240 78 919 C ATOM 1881 CD1 TYR B 26 84.560 19.672 79.089 1.00 25.27 C ANISOU 1881 CD1 TYR B 26 2711 3450 3439 1022 134 963 C ATOM 1882 CD2 TYR B 26 82.661 19.186 80.463 1.00 24.25 C ANISOU 1882 CD2 TYR B 26 2602 3173 3439 1225 259 825 C ATOM 1883 CE1 TYR B 26 84.074 18.842 78.105 1.00 24.55 C ANISOU 1883 CE1 TYR B 26 2873 2877 3577 1277 225 881 C ATOM 1884 CE2 TYR B 26 82.148 18.360 79.475 1.00 24.50 C ANISOU 1884 CE2 TYR B 26 2889 2869 3549 1054 423 737 C ATOM 1885 CZ TYR B 26 82.853 18.193 78.299 1.00 26.60 C ANISOU 1885 CZ TYR B 26 3314 3030 3764 1073 378 667 C ATOM 1886 OH TYR B 26 82.336 17.403 77.299 1.00 28.19 O ANISOU 1886 OH TYR B 26 3661 2965 4085 722 345 474 O ATOM 0 H TYR B 26 86.713 19.032 81.096 1.00 29.06 H new ATOM 0 HA TYR B 26 85.791 20.767 82.902 1.00 26.00 H new ATOM 0 HB2 TYR B 26 83.681 21.004 81.963 1.00 23.42 H new ATOM 0 HB3 TYR B 26 84.751 21.556 80.970 1.00 23.42 H new ATOM 0 HD1 TYR B 26 85.365 20.118 78.955 1.00 25.27 H new ATOM 0 HD2 TYR B 26 82.190 19.292 81.258 1.00 24.25 H new ATOM 0 HE1 TYR B 26 84.554 18.715 77.319 1.00 24.55 H new ATOM 0 HE2 TYR B 26 81.337 17.923 79.603 1.00 24.50 H new ATOM 0 HH TYR B 26 82.852 17.416 76.636 1.00 28.19 H new ATOM 1887 N ARG B 27 84.262 19.148 84.003 1.00 24.51 N ANISOU 1887 N ARG B 27 2953 2795 3563 1315 77 1012 N ATOM 1888 CA ARG B 27 83.587 18.080 84.726 1.00 25.90 C ANISOU 1888 CA ARG B 27 3131 3114 3595 1182 184 983 C ATOM 1889 C ARG B 27 82.103 18.213 84.466 1.00 24.65 C ANISOU 1889 C ARG B 27 3024 2926 3414 946 241 880 C ATOM 1890 O ARG B 27 81.532 19.291 84.648 1.00 23.82 O ANISOU 1890 O ARG B 27 2786 2839 3425 939 78 819 O ATOM 1891 CB ARG B 27 83.897 18.179 86.220 1.00 30.65 C ANISOU 1891 CB ARG B 27 3798 3863 3984 1336 131 1080 C ATOM 1892 CG ARG B 27 82.995 17.313 87.094 1.00 36.04 C ANISOU 1892 CG ARG B 27 4926 4358 4411 1085 -253 1101 C ATOM 1893 CD ARG B 27 83.522 17.228 88.526 1.00 44.59 C ANISOU 1893 CD ARG B 27 6757 5362 4822 1493 -987 792 C ATOM 1894 NE ARG B 27 83.858 18.543 89.070 1.00 43.71 N ANISOU 1894 NE ARG B 27 6338 5224 5046 1263 -1353 1261 N ATOM 1895 CZ ARG B 27 84.358 18.750 90.286 1.00 43.09 C ANISOU 1895 CZ ARG B 27 6054 5292 5027 1161 -1122 1546 C ATOM 1896 NH1 ARG B 27 84.626 17.714 91.082 1.00 44.43 N ANISOU 1896 NH1 ARG B 27 6649 5264 4970 2047 -1045 1661 N ATOM 1897 NH2 ARG B 27 84.608 19.994 90.707 1.00 40.64 N ANISOU 1897 NH2 ARG B 27 5237 5009 5196 1302 -857 1510 N ATOM 0 H ARG B 27 84.128 19.934 84.326 1.00 24.51 H new ATOM 0 HA ARG B 27 83.895 17.211 84.424 1.00 25.90 H new ATOM 0 HB2 ARG B 27 84.820 17.922 86.368 1.00 30.65 H new ATOM 0 HB3 ARG B 27 83.812 19.104 86.499 1.00 30.65 H new ATOM 0 HG2 ARG B 27 82.097 17.680 87.099 1.00 36.04 H new ATOM 0 HG3 ARG B 27 82.935 16.422 86.716 1.00 36.04 H new ATOM 0 HD2 ARG B 27 82.854 16.807 89.090 1.00 44.59 H new ATOM 0 HD3 ARG B 27 84.309 16.661 88.546 1.00 44.59 H new ATOM 0 HE ARG B 27 83.723 19.230 88.570 1.00 43.71 H new ATOM 0 HH11 ARG B 27 84.476 16.912 90.810 1.00 44.43 H new ATOM 0 HH12 ARG B 27 84.949 17.848 91.868 1.00 44.43 H new ATOM 0 HH21 ARG B 27 84.446 20.663 90.192 1.00 40.64 H new ATOM 0 HH22 ARG B 27 84.931 20.125 91.493 1.00 40.64 H new ATOM 1898 N LEU B 28 81.472 17.129 84.029 1.00 24.86 N ANISOU 1898 N LEU B 28 3200 2839 3408 984 333 819 N ATOM 1899 CA LEU B 28 80.024 17.152 83.826 1.00 25.51 C ANISOU 1899 CA LEU B 28 3468 2648 3575 863 213 846 C ATOM 1900 C LEU B 28 79.336 16.794 85.128 1.00 24.35 C ANISOU 1900 C LEU B 28 3431 2496 3326 728 85 1061 C ATOM 1901 O LEU B 28 79.599 15.745 85.691 1.00 25.96 O ANISOU 1901 O LEU B 28 3903 2561 3400 891 183 1179 O ATOM 1902 CB LEU B 28 79.585 16.133 82.789 1.00 31.90 C ANISOU 1902 CB LEU B 28 4735 3041 4346 429 195 764 C ATOM 1903 CG LEU B 28 79.267 16.542 81.382 1.00 37.21 C ANISOU 1903 CG LEU B 28 5220 3569 5349 614 161 706 C ATOM 1904 CD1 LEU B 28 78.559 15.397 80.676 1.00 40.00 C ANISOU 1904 CD1 LEU B 28 5735 3587 5876 224 -59 1070 C ATOM 1905 CD2 LEU B 28 78.415 17.785 81.300 1.00 36.01 C ANISOU 1905 CD2 LEU B 28 4450 3754 5480 626 464 186 C ATOM 0 H LEU B 28 81.854 16.381 83.846 1.00 24.86 H new ATOM 0 HA LEU B 28 79.786 18.042 83.522 1.00 25.51 H new ATOM 0 HB2 LEU B 28 80.284 15.463 82.738 1.00 31.90 H new ATOM 0 HB3 LEU B 28 78.795 15.693 83.141 1.00 31.90 H new ATOM 0 HG LEU B 28 80.110 16.751 80.950 1.00 37.21 H new ATOM 0 HD11 LEU B 28 78.351 15.657 79.765 1.00 40.00 H new ATOM 0 HD12 LEU B 28 79.136 14.617 80.665 1.00 40.00 H new ATOM 0 HD13 LEU B 28 77.738 15.185 81.146 1.00 40.00 H new ATOM 0 HD21 LEU B 28 78.243 17.999 80.370 1.00 36.01 H new ATOM 0 HD22 LEU B 28 77.573 17.631 81.757 1.00 36.01 H new ATOM 0 HD23 LEU B 28 78.880 18.525 81.721 1.00 36.01 H new ATOM 1906 N ILE B 29 78.466 17.673 85.609 1.00 22.68 N ANISOU 1906 N ILE B 29 2937 2555 3125 533 1 1124 N ATOM 1907 CA ILE B 29 77.705 17.409 86.824 1.00 22.95 C ANISOU 1907 CA ILE B 29 3167 2444 3108 461 103 1109 C ATOM 1908 C ILE B 29 76.242 17.302 86.428 1.00 22.43 C ANISOU 1908 C ILE B 29 3156 2244 3122 386 133 1130 C ATOM 1909 O ILE B 29 75.617 18.291 86.005 1.00 21.13 O ANISOU 1909 O ILE B 29 2872 2183 2972 229 132 1086 O ATOM 1910 CB ILE B 29 77.908 18.517 87.849 1.00 25.52 C ANISOU 1910 CB ILE B 29 3473 2999 3224 616 165 982 C ATOM 1911 CG1 ILE B 29 79.398 18.623 88.181 1.00 28.10 C ANISOU 1911 CG1 ILE B 29 3635 3510 3531 560 67 845 C ATOM 1912 CG2 ILE B 29 77.112 18.197 89.103 1.00 25.92 C ANISOU 1912 CG2 ILE B 29 3857 2852 3141 653 329 986 C ATOM 1913 CD1 ILE B 29 79.761 19.885 88.894 1.00 29.20 C ANISOU 1913 CD1 ILE B 29 3900 3445 3748 677 46 810 C ATOM 0 H ILE B 29 78.300 18.434 85.244 1.00 22.68 H new ATOM 0 HA ILE B 29 78.007 16.585 87.238 1.00 22.95 H new ATOM 0 HB ILE B 29 77.600 19.363 87.489 1.00 25.52 H new ATOM 0 HG12 ILE B 29 79.655 17.865 88.729 1.00 28.10 H new ATOM 0 HG13 ILE B 29 79.910 18.565 87.359 1.00 28.10 H new ATOM 0 HG21 ILE B 29 77.240 18.902 89.757 1.00 25.92 H new ATOM 0 HG22 ILE B 29 76.170 18.131 88.881 1.00 25.92 H new ATOM 0 HG23 ILE B 29 77.416 17.354 89.473 1.00 25.92 H new ATOM 0 HD11 ILE B 29 80.714 19.892 89.075 1.00 29.20 H new ATOM 0 HD12 ILE B 29 79.532 20.647 88.340 1.00 29.20 H new ATOM 0 HD13 ILE B 29 79.273 19.936 89.731 1.00 29.20 H new ATOM 1914 N LYS B 30 75.687 16.100 86.546 1.00 24.87 N ANISOU 1914 N LYS B 30 3692 2290 3466 553 84 1092 N ATOM 1915 CA LYS B 30 74.324 15.862 86.053 1.00 28.85 C ANISOU 1915 CA LYS B 30 4153 2895 3915 79 35 868 C ATOM 1916 C LYS B 30 73.313 16.462 87.014 1.00 26.87 C ANISOU 1916 C LYS B 30 3833 2981 3395 151 103 947 C ATOM 1917 O LYS B 30 73.376 16.219 88.206 1.00 27.72 O ANISOU 1917 O LYS B 30 4149 2988 3394 371 198 1348 O ATOM 1918 CB LYS B 30 74.046 14.375 85.915 1.00 37.36 C ANISOU 1918 CB LYS B 30 5759 3485 4951 129 15 560 C ATOM 1919 CG LYS B 30 75.035 13.658 85.012 1.00 50.45 C ANISOU 1919 CG LYS B 30 6966 6154 6048 870 66 232 C ATOM 1920 CD LYS B 30 74.602 13.599 83.558 1.00 59.53 C ANISOU 1920 CD LYS B 30 8236 6813 7570 937 194 142 C ATOM 1921 CE LYS B 30 75.654 12.865 82.730 1.00 63.73 C ANISOU 1921 CE LYS B 30 9129 6140 8944 171 678 421 C ATOM 1922 NZ LYS B 30 75.420 11.387 82.738 1.00 69.97 N ANISOU 1922 NZ LYS B 30 10276 6299 10011 -416 731 1006 N ATOM 0 H LYS B 30 76.070 15.417 86.901 1.00 24.87 H new ATOM 0 HA LYS B 30 74.245 16.281 85.182 1.00 28.85 H new ATOM 0 HB2 LYS B 30 74.066 13.966 86.794 1.00 37.36 H new ATOM 0 HB3 LYS B 30 73.150 14.251 85.565 1.00 37.36 H new ATOM 0 HG2 LYS B 30 75.894 14.105 85.067 1.00 50.45 H new ATOM 0 HG3 LYS B 30 75.164 12.754 85.340 1.00 50.45 H new ATOM 0 HD2 LYS B 30 73.748 13.145 83.485 1.00 59.53 H new ATOM 0 HD3 LYS B 30 74.477 14.497 83.213 1.00 59.53 H new ATOM 0 HE2 LYS B 30 75.636 13.192 81.817 1.00 63.73 H new ATOM 0 HE3 LYS B 30 76.537 13.056 83.083 1.00 63.73 H new ATOM 0 HZ1 LYS B 30 76.046 10.985 82.249 1.00 69.97 H new ATOM 0 HZ2 LYS B 30 75.457 11.085 83.574 1.00 69.97 H new ATOM 0 HZ3 LYS B 30 74.618 11.211 82.395 1.00 69.97 H new ATOM 1923 N VAL B 31 72.391 17.256 86.500 1.00 24.18 N ANISOU 1923 N VAL B 31 3723 2452 3014 -15 72 660 N ATOM 1924 CA VAL B 31 71.292 17.738 87.311 1.00 22.67 C ANISOU 1924 CA VAL B 31 3321 2407 2885 -57 -21 472 C ATOM 1925 C VAL B 31 70.036 16.996 86.862 1.00 23.99 C ANISOU 1925 C VAL B 31 3511 2621 2984 -106 -102 403 C ATOM 1926 O VAL B 31 69.663 17.052 85.702 1.00 24.97 O ANISOU 1926 O VAL B 31 3551 2994 2941 -230 -30 253 O ATOM 1927 CB VAL B 31 71.113 19.247 87.179 1.00 21.67 C ANISOU 1927 CB VAL B 31 2989 2486 2759 -118 -29 410 C ATOM 1928 CG1 VAL B 31 69.943 19.731 88.026 1.00 23.40 C ANISOU 1928 CG1 VAL B 31 3163 2838 2889 -402 159 527 C ATOM 1929 CG2 VAL B 31 72.396 19.969 87.593 1.00 21.69 C ANISOU 1929 CG2 VAL B 31 2901 2716 2626 4 -175 257 C ATOM 0 H VAL B 31 72.384 17.527 85.684 1.00 24.18 H new ATOM 0 HA VAL B 31 71.473 17.568 88.249 1.00 22.67 H new ATOM 0 HB VAL B 31 70.922 19.450 86.250 1.00 21.67 H new ATOM 0 HG11 VAL B 31 69.847 20.691 87.927 1.00 23.40 H new ATOM 0 HG12 VAL B 31 69.128 19.294 87.733 1.00 23.40 H new ATOM 0 HG13 VAL B 31 70.107 19.517 88.958 1.00 23.40 H new ATOM 0 HG21 VAL B 31 72.271 20.927 87.505 1.00 21.69 H new ATOM 0 HG22 VAL B 31 72.605 19.754 88.515 1.00 21.69 H new ATOM 0 HG23 VAL B 31 73.126 19.685 87.021 1.00 21.69 H new ATOM 1930 N ASP B 32 69.391 16.307 87.789 1.00 24.27 N ANISOU 1930 N ASP B 32 3726 2289 3208 -249 -153 452 N ATOM 1931 CA ASP B 32 68.229 15.497 87.450 1.00 26.12 C ANISOU 1931 CA ASP B 32 4006 2478 3441 -548 -53 434 C ATOM 1932 C ASP B 32 66.988 16.374 87.397 1.00 26.03 C ANISOU 1932 C ASP B 32 3671 2965 3255 -856 -38 471 C ATOM 1933 O ASP B 32 66.392 16.661 88.438 1.00 26.10 O ANISOU 1933 O ASP B 32 3471 3214 3232 -683 -9 531 O ATOM 1934 CB ASP B 32 68.052 14.387 88.467 1.00 30.85 C ANISOU 1934 CB ASP B 32 4664 3039 4017 -627 -47 455 C ATOM 1935 CG ASP B 32 67.074 13.325 87.994 1.00 35.98 C ANISOU 1935 CG ASP B 32 5563 3433 4675 -1068 -102 418 C ATOM 1936 OD1 ASP B 32 66.157 13.649 87.212 1.00 34.20 O ANISOU 1936 OD1 ASP B 32 5205 3238 4553 -1495 -232 -45 O ATOM 1937 OD2 ASP B 32 67.231 12.165 88.399 1.00 42.51 O ANISOU 1937 OD2 ASP B 32 7072 3784 5295 -1238 -4 832 O ATOM 0 H ASP B 32 69.608 16.293 88.621 1.00 24.27 H new ATOM 0 HA ASP B 32 68.365 15.095 86.578 1.00 26.12 H new ATOM 0 HB2 ASP B 32 68.912 13.975 88.647 1.00 30.85 H new ATOM 0 HB3 ASP B 32 67.738 14.764 89.304 1.00 30.85 H new ATOM 1938 N LEU B 33 66.608 16.808 86.189 1.00 24.36 N ANISOU 1938 N LEU B 33 3434 2586 3236 -1083 -87 522 N ATOM 1939 CA LEU B 33 65.476 17.726 86.044 1.00 26.11 C ANISOU 1939 CA LEU B 33 3459 3133 3330 -1019 -97 518 C ATOM 1940 C LEU B 33 64.177 17.022 86.364 1.00 28.43 C ANISOU 1940 C LEU B 33 3678 3431 3694 -1242 60 414 C ATOM 1941 O LEU B 33 63.226 17.662 86.772 1.00 29.10 O ANISOU 1941 O LEU B 33 3330 3815 3911 -1427 86 40 O ATOM 1942 CB LEU B 33 65.405 18.317 84.630 1.00 24.22 C ANISOU 1942 CB LEU B 33 3237 2835 3130 -748 -210 505 C ATOM 1943 CG LEU B 33 66.663 19.059 84.196 1.00 23.22 C ANISOU 1943 CG LEU B 33 3088 2783 2952 -609 -203 371 C ATOM 1944 CD1 LEU B 33 66.500 19.642 82.785 1.00 23.59 C ANISOU 1944 CD1 LEU B 33 3068 2994 2900 -616 -160 227 C ATOM 1945 CD2 LEU B 33 66.995 20.169 85.202 1.00 22.46 C ANISOU 1945 CD2 LEU B 33 2874 2772 2886 -382 -164 343 C ATOM 0 H LEU B 33 66.989 16.585 85.451 1.00 24.36 H new ATOM 0 HA LEU B 33 65.612 18.453 86.672 1.00 26.11 H new ATOM 0 HB2 LEU B 33 65.231 17.600 84.000 1.00 24.22 H new ATOM 0 HB3 LEU B 33 64.651 18.925 84.583 1.00 24.22 H new ATOM 0 HG LEU B 33 67.398 18.426 84.174 1.00 23.22 H new ATOM 0 HD11 LEU B 33 67.312 20.109 82.532 1.00 23.59 H new ATOM 0 HD12 LEU B 33 66.330 18.924 82.155 1.00 23.59 H new ATOM 0 HD13 LEU B 33 65.755 20.263 82.775 1.00 23.59 H new ATOM 0 HD21 LEU B 33 67.797 20.635 84.917 1.00 22.46 H new ATOM 0 HD22 LEU B 33 66.256 20.796 85.248 1.00 22.46 H new ATOM 0 HD23 LEU B 33 67.142 19.779 86.078 1.00 22.46 H new ATOM 1946 N GLY B 34 64.148 15.716 86.178 1.00 30.96 N ANISOU 1946 N GLY B 34 4455 3485 3822 -1279 216 539 N ATOM 1947 CA GLY B 34 62.936 14.939 86.425 1.00 33.48 C ANISOU 1947 CA GLY B 34 4769 3949 4002 -1819 268 450 C ATOM 1948 C GLY B 34 62.613 14.835 87.903 1.00 35.44 C ANISOU 1948 C GLY B 34 4864 4204 4396 -1759 303 686 C ATOM 1949 O GLY B 34 61.459 14.663 88.285 1.00 37.90 O ANISOU 1949 O GLY B 34 4935 4878 4588 -2083 263 888 O ATOM 0 H GLY B 34 64.820 15.253 85.908 1.00 30.96 H new ATOM 0 HA2 GLY B 34 62.190 15.350 85.961 1.00 33.48 H new ATOM 0 HA3 GLY B 34 63.044 14.049 86.056 1.00 33.48 H new ATOM 1950 N LYS B 35 63.641 14.950 88.734 1.00 34.41 N ANISOU 1950 N LYS B 35 4958 3780 4336 -1809 395 775 N ATOM 1951 CA LYS B 35 63.466 14.825 90.182 1.00 36.64 C ANISOU 1951 CA LYS B 35 5639 3850 4432 -1646 441 853 C ATOM 1952 C LYS B 35 63.651 16.155 90.919 1.00 34.14 C ANISOU 1952 C LYS B 35 5315 3792 3865 -1379 484 903 C ATOM 1953 O LYS B 35 63.762 16.183 92.145 1.00 34.31 O ANISOU 1953 O LYS B 35 5333 3997 3707 -1405 726 1047 O ATOM 1954 CB LYS B 35 64.427 13.774 90.732 1.00 43.59 C ANISOU 1954 CB LYS B 35 6938 4269 5357 -1725 332 828 C ATOM 1955 CG LYS B 35 64.225 12.394 90.111 1.00 53.15 C ANISOU 1955 CG LYS B 35 8837 4972 6387 -1836 146 681 C ATOM 1956 CD LYS B 35 64.554 11.281 91.090 1.00 62.80 C ANISOU 1956 CD LYS B 35 10459 5892 7510 -1790 61 363 C ATOM 1957 CE LYS B 35 63.673 10.058 90.849 1.00 71.86 C ANISOU 1957 CE LYS B 35 11712 7179 8411 -2228 188 -69 C ATOM 1958 NZ LYS B 35 63.943 9.393 89.545 1.00 81.18 N ANISOU 1958 NZ LYS B 35 13336 8557 8951 -2644 389 -418 N ATOM 0 H LYS B 35 64.450 15.100 88.483 1.00 34.41 H new ATOM 0 HA LYS B 35 62.550 14.546 90.338 1.00 36.64 H new ATOM 0 HB2 LYS B 35 65.339 14.063 90.574 1.00 43.59 H new ATOM 0 HB3 LYS B 35 64.312 13.710 91.693 1.00 43.59 H new ATOM 0 HG2 LYS B 35 63.305 12.304 89.816 1.00 53.15 H new ATOM 0 HG3 LYS B 35 64.785 12.308 89.324 1.00 53.15 H new ATOM 0 HD2 LYS B 35 65.488 11.033 91.001 1.00 62.80 H new ATOM 0 HD3 LYS B 35 64.430 11.598 91.998 1.00 62.80 H new ATOM 0 HE2 LYS B 35 63.811 9.420 91.566 1.00 71.86 H new ATOM 0 HE3 LYS B 35 62.741 10.325 90.883 1.00 71.86 H new ATOM 0 HZ1 LYS B 35 63.406 8.689 89.454 1.00 81.18 H new ATOM 0 HZ2 LYS B 35 63.794 9.968 88.882 1.00 81.18 H new ATOM 0 HZ3 LYS B 35 64.791 9.124 89.519 1.00 81.18 H new ATOM 1959 N GLY B 36 63.703 17.254 90.170 1.00 31.35 N ANISOU 1959 N GLY B 36 4713 3608 3591 -1357 219 755 N ATOM 1960 CA GLY B 36 63.731 18.574 90.794 1.00 29.25 C ANISOU 1960 CA GLY B 36 4166 3647 3302 -1159 199 725 C ATOM 1961 C GLY B 36 65.102 18.982 91.296 1.00 27.00 C ANISOU 1961 C GLY B 36 3739 3477 3043 -1030 426 817 C ATOM 1962 O GLY B 36 65.221 19.838 92.193 1.00 25.87 O ANISOU 1962 O GLY B 36 3645 3269 2917 -1117 735 848 O ATOM 0 H GLY B 36 63.723 17.258 89.310 1.00 31.35 H new ATOM 0 HA2 GLY B 36 63.421 19.233 90.153 1.00 29.25 H new ATOM 0 HA3 GLY B 36 63.107 18.585 91.537 1.00 29.25 H new ATOM 1963 N GLY B 37 66.142 18.372 90.742 1.00 26.01 N ANISOU 1963 N GLY B 37 3733 3187 2961 -748 318 824 N ATOM 1964 CA GLY B 37 67.512 18.751 91.099 1.00 25.63 C ANISOU 1964 CA GLY B 37 3745 3191 2802 -451 217 718 C ATOM 1965 C GLY B 37 67.801 20.224 90.871 1.00 23.46 C ANISOU 1965 C GLY B 37 3147 3126 2642 -201 177 599 C ATOM 1966 O GLY B 37 68.661 20.816 91.540 1.00 24.20 O ANISOU 1966 O GLY B 37 3122 3374 2697 -126 131 520 O ATOM 0 H GLY B 37 66.082 17.741 90.161 1.00 26.01 H new ATOM 0 HA2 GLY B 37 67.668 18.537 92.032 1.00 25.63 H new ATOM 0 HA3 GLY B 37 68.135 18.220 90.578 1.00 25.63 H new ATOM 1967 N GLN B 38 67.075 20.836 89.933 1.00 21.36 N ANISOU 1967 N GLN B 38 2790 2871 2456 -405 178 567 N ATOM 1968 CA GLN B 38 67.308 22.241 89.615 1.00 20.16 C ANISOU 1968 CA GLN B 38 2529 2791 2338 -388 175 543 C ATOM 1969 C GLN B 38 66.761 23.202 90.674 1.00 20.37 C ANISOU 1969 C GLN B 38 2423 2986 2329 -311 173 439 C ATOM 1970 O GLN B 38 66.951 24.413 90.558 1.00 20.42 O ANISOU 1970 O GLN B 38 2343 3054 2363 -401 86 249 O ATOM 1971 CB GLN B 38 66.709 22.597 88.243 1.00 19.27 C ANISOU 1971 CB GLN B 38 2447 2479 2396 -704 142 649 C ATOM 1972 CG GLN B 38 65.174 22.547 88.186 1.00 21.00 C ANISOU 1972 CG GLN B 38 2466 2871 2641 -457 14 628 C ATOM 1973 CD GLN B 38 64.622 21.154 87.885 1.00 23.31 C ANISOU 1973 CD GLN B 38 2688 3212 2958 -800 -30 499 C ATOM 1974 OE1 GLN B 38 65.113 20.137 88.402 1.00 24.38 O ANISOU 1974 OE1 GLN B 38 2988 3159 3116 -920 38 514 O ATOM 1975 NE2 GLN B 38 63.575 21.103 87.052 1.00 23.57 N ANISOU 1975 NE2 GLN B 38 2673 3187 3097 -1286 -81 367 N ATOM 0 H GLN B 38 66.451 20.459 89.476 1.00 21.36 H new ATOM 0 HA GLN B 38 68.272 22.351 89.596 1.00 20.16 H new ATOM 0 HB2 GLN B 38 67.002 23.488 87.996 1.00 19.27 H new ATOM 0 HB3 GLN B 38 67.066 21.987 87.579 1.00 19.27 H new ATOM 0 HG2 GLN B 38 64.816 22.853 89.034 1.00 21.00 H new ATOM 0 HG3 GLN B 38 64.862 23.165 87.506 1.00 21.00 H new ATOM 0 HE21 GLN B 38 63.260 21.828 86.712 1.00 23.57 H new ATOM 0 HE22 GLN B 38 63.217 20.346 86.857 1.00 23.57 H new ATOM 1976 N PHE B 39 66.066 22.669 91.679 1.00 20.66 N ANISOU 1976 N PHE B 39 2383 3073 2392 -258 265 572 N ATOM 1977 CA PHE B 39 65.535 23.484 92.765 1.00 21.52 C ANISOU 1977 CA PHE B 39 2507 3226 2443 -325 358 464 C ATOM 1978 C PHE B 39 66.318 23.302 94.079 1.00 22.56 C ANISOU 1978 C PHE B 39 2688 3518 2367 -424 400 550 C ATOM 1979 O PHE B 39 65.952 23.882 95.102 1.00 23.73 O ANISOU 1979 O PHE B 39 2715 3952 2348 -210 471 491 O ATOM 1980 CB PHE B 39 64.053 23.161 92.980 1.00 23.17 C ANISOU 1980 CB PHE B 39 2587 3505 2711 -260 348 193 C ATOM 1981 CG PHE B 39 63.204 23.407 91.752 1.00 25.69 C ANISOU 1981 CG PHE B 39 2847 3882 3033 -428 148 152 C ATOM 1982 CD1 PHE B 39 62.947 24.706 91.319 1.00 26.55 C ANISOU 1982 CD1 PHE B 39 2886 4008 3195 -630 96 217 C ATOM 1983 CD2 PHE B 39 62.699 22.348 91.014 1.00 27.08 C ANISOU 1983 CD2 PHE B 39 3083 3960 3245 -731 60 219 C ATOM 1984 CE1 PHE B 39 62.181 24.940 90.186 1.00 27.63 C ANISOU 1984 CE1 PHE B 39 2807 4388 3303 -553 56 321 C ATOM 1985 CE2 PHE B 39 61.930 22.576 89.871 1.00 26.43 C ANISOU 1985 CE2 PHE B 39 2696 3926 3422 -724 173 312 C ATOM 1986 CZ PHE B 39 61.671 23.875 89.464 1.00 26.93 C ANISOU 1986 CZ PHE B 39 2717 4109 3405 -608 85 381 C ATOM 0 H PHE B 39 65.891 21.830 91.748 1.00 20.66 H new ATOM 0 HA PHE B 39 65.634 24.413 92.505 1.00 21.52 H new ATOM 0 HB2 PHE B 39 63.966 22.232 93.245 1.00 23.17 H new ATOM 0 HB3 PHE B 39 63.714 23.698 93.713 1.00 23.17 H new ATOM 0 HD1 PHE B 39 63.293 25.426 91.796 1.00 26.55 H new ATOM 0 HD2 PHE B 39 62.874 21.475 91.283 1.00 27.08 H new ATOM 0 HE1 PHE B 39 62.010 25.812 89.912 1.00 27.63 H new ATOM 0 HE2 PHE B 39 61.593 21.859 89.385 1.00 26.43 H new ATOM 0 HZ PHE B 39 61.155 24.031 88.706 1.00 26.93 H new ATOM 1987 N ARG B 40 67.387 22.506 94.060 1.00 21.14 N ANISOU 1987 N ARG B 40 2655 3001 2377 -440 319 625 N ATOM 1988 CA ARG B 40 68.153 22.319 95.284 1.00 23.53 C ANISOU 1988 CA ARG B 40 2994 3478 2467 -248 214 588 C ATOM 1989 C ARG B 40 68.797 23.648 95.696 1.00 21.31 C ANISOU 1989 C ARG B 40 2644 3298 2155 -45 221 534 C ATOM 1990 O ARG B 40 69.372 24.334 94.862 1.00 20.91 O ANISOU 1990 O ARG B 40 2647 3243 2054 119 99 528 O ATOM 1991 CB ARG B 40 69.233 21.246 95.123 1.00 27.34 C ANISOU 1991 CB ARG B 40 3629 3630 3128 -114 223 589 C ATOM 1992 CG ARG B 40 68.711 19.834 95.284 1.00 35.01 C ANISOU 1992 CG ARG B 40 5086 4193 4024 -479 208 522 C ATOM 1993 CD ARG B 40 69.766 18.819 94.888 1.00 43.65 C ANISOU 1993 CD ARG B 40 6189 5347 5048 -257 332 398 C ATOM 1994 NE ARG B 40 70.213 19.079 93.516 1.00 50.37 N ANISOU 1994 NE ARG B 40 6453 7379 5305 -631 392 354 N ATOM 1995 CZ ARG B 40 71.438 19.463 93.157 1.00 45.19 C ANISOU 1995 CZ ARG B 40 5908 6165 5098 -337 -57 611 C ATOM 1996 NH1 ARG B 40 72.406 19.607 94.073 1.00 42.44 N ANISOU 1996 NH1 ARG B 40 4784 6115 5226 173 -408 614 N ATOM 1997 NH2 ARG B 40 71.690 19.680 91.869 1.00 39.20 N ANISOU 1997 NH2 ARG B 40 5471 4958 4464 616 -365 1056 N ATOM 0 H ARG B 40 67.676 22.079 93.372 1.00 21.14 H new ATOM 0 HA ARG B 40 67.542 22.019 95.975 1.00 23.53 H new ATOM 0 HB2 ARG B 40 69.639 21.335 94.247 1.00 27.34 H new ATOM 0 HB3 ARG B 40 69.933 21.401 95.777 1.00 27.34 H new ATOM 0 HG2 ARG B 40 68.445 19.687 96.205 1.00 35.01 H new ATOM 0 HG3 ARG B 40 67.919 19.713 94.737 1.00 35.01 H new ATOM 0 HD2 ARG B 40 70.519 18.868 95.497 1.00 43.65 H new ATOM 0 HD3 ARG B 40 69.405 17.921 94.955 1.00 43.65 H new ATOM 0 HE ARG B 40 69.635 18.975 92.888 1.00 50.37 H new ATOM 0 HH11 ARG B 40 72.240 19.451 94.902 1.00 42.44 H new ATOM 0 HH12 ARG B 40 73.193 19.855 93.831 1.00 42.44 H new ATOM 0 HH21 ARG B 40 71.068 19.572 91.285 1.00 39.20 H new ATOM 0 HH22 ARG B 40 72.475 19.928 91.620 1.00 39.20 H new ATOM 1998 N PRO B 41 68.747 23.982 96.987 1.00 22.97 N ANISOU 1998 N PRO B 41 2847 3651 2229 -59 489 512 N ATOM 1999 CA PRO B 41 69.300 25.265 97.450 1.00 22.91 C ANISOU 1999 CA PRO B 41 2733 3791 2181 137 352 463 C ATOM 2000 C PRO B 41 70.745 25.514 97.026 1.00 21.80 C ANISOU 2000 C PRO B 41 2592 3561 2131 287 148 468 C ATOM 2001 O PRO B 41 71.074 26.630 96.611 1.00 21.10 O ANISOU 2001 O PRO B 41 2286 3518 2214 598 64 421 O ATOM 2002 CB PRO B 41 69.204 25.163 98.967 1.00 25.70 C ANISOU 2002 CB PRO B 41 3128 4411 2226 33 347 504 C ATOM 2003 CG PRO B 41 68.129 24.178 99.216 1.00 28.44 C ANISOU 2003 CG PRO B 41 3775 4716 2316 -287 562 489 C ATOM 2004 CD PRO B 41 68.224 23.180 98.106 1.00 27.88 C ANISOU 2004 CD PRO B 41 3800 4450 2345 -325 688 508 C ATOM 0 HA PRO B 41 68.813 26.009 97.063 1.00 22.91 H new ATOM 0 HB2 PRO B 41 70.044 24.871 99.353 1.00 25.70 H new ATOM 0 HB3 PRO B 41 68.992 26.022 99.364 1.00 25.70 H new ATOM 0 HG2 PRO B 41 68.242 23.750 100.079 1.00 28.44 H new ATOM 0 HG3 PRO B 41 67.259 24.607 99.224 1.00 28.44 H new ATOM 0 HD2 PRO B 41 68.818 22.447 98.331 1.00 27.88 H new ATOM 0 HD3 PRO B 41 67.360 22.791 97.897 1.00 27.88 H new ATOM 2005 N GLU B 42 71.601 24.500 97.100 1.00 22.11 N ANISOU 2005 N GLU B 42 2836 3406 2160 287 49 537 N ATOM 2006 CA GLU B 42 72.989 24.715 96.705 1.00 23.44 C ANISOU 2006 CA GLU B 42 2821 3624 2461 590 85 291 C ATOM 2007 C GLU B 42 73.106 25.014 95.213 1.00 20.91 C ANISOU 2007 C GLU B 42 2357 3394 2194 497 79 127 C ATOM 2008 O GLU B 42 74.028 25.717 94.786 1.00 20.49 O ANISOU 2008 O GLU B 42 2371 3263 2151 283 -29 38 O ATOM 2009 CB GLU B 42 73.899 23.560 97.127 1.00 28.62 C ANISOU 2009 CB GLU B 42 3420 4311 3142 973 146 235 C ATOM 2010 CG GLU B 42 73.409 22.183 96.750 1.00 34.77 C ANISOU 2010 CG GLU B 42 4557 4926 3729 1110 209 397 C ATOM 2011 CD GLU B 42 72.522 21.549 97.811 1.00 38.44 C ANISOU 2011 CD GLU B 42 5240 5182 4182 808 436 818 C ATOM 2012 OE1 GLU B 42 72.916 20.505 98.351 1.00 42.56 O ANISOU 2012 OE1 GLU B 42 6336 5167 4669 623 698 889 O ATOM 2013 OE2 GLU B 42 71.465 22.103 98.140 1.00 35.13 O ANISOU 2013 OE2 GLU B 42 4978 4535 3836 217 433 1025 O ATOM 0 H GLU B 42 71.408 23.705 97.367 1.00 22.11 H new ATOM 0 HA GLU B 42 73.300 25.499 97.184 1.00 23.44 H new ATOM 0 HB2 GLU B 42 74.774 23.696 96.731 1.00 28.62 H new ATOM 0 HB3 GLU B 42 74.015 23.594 98.089 1.00 28.62 H new ATOM 0 HG2 GLU B 42 72.916 22.239 95.916 1.00 34.77 H new ATOM 0 HG3 GLU B 42 74.173 21.607 96.590 1.00 34.77 H new ATOM 2014 N PHE B 43 72.181 24.483 94.412 1.00 18.98 N ANISOU 2014 N PHE B 43 2165 2995 2052 260 162 201 N ATOM 2015 CA PHE B 43 72.226 24.718 92.980 1.00 18.25 C ANISOU 2015 CA PHE B 43 2016 2895 2024 246 130 253 C ATOM 2016 C PHE B 43 71.651 26.097 92.623 1.00 18.14 C ANISOU 2016 C PHE B 43 1983 2909 1999 51 31 141 C ATOM 2017 O PHE B 43 72.161 26.772 91.743 1.00 18.03 O ANISOU 2017 O PHE B 43 2066 2848 1938 86 -56 177 O ATOM 2018 CB PHE B 43 71.495 23.628 92.210 1.00 17.19 C ANISOU 2018 CB PHE B 43 1847 2645 2041 243 129 342 C ATOM 2019 CG PHE B 43 71.454 23.873 90.733 1.00 18.12 C ANISOU 2019 CG PHE B 43 2105 2647 2132 86 45 171 C ATOM 2020 CD1 PHE B 43 72.592 23.728 89.963 1.00 18.18 C ANISOU 2020 CD1 PHE B 43 2236 2499 2173 588 28 54 C ATOM 2021 CD2 PHE B 43 70.283 24.338 90.125 1.00 19.75 C ANISOU 2021 CD2 PHE B 43 2410 2875 2219 151 39 208 C ATOM 2022 CE1 PHE B 43 72.564 23.999 88.597 1.00 19.40 C ANISOU 2022 CE1 PHE B 43 2539 2556 2277 652 99 157 C ATOM 2023 CE2 PHE B 43 70.247 24.607 88.762 1.00 20.59 C ANISOU 2023 CE2 PHE B 43 2499 3015 2308 28 95 320 C ATOM 2024 CZ PHE B 43 71.381 24.421 87.998 1.00 20.63 C ANISOU 2024 CZ PHE B 43 2380 3131 2326 253 128 259 C ATOM 0 H PHE B 43 71.529 23.990 94.679 1.00 18.98 H new ATOM 0 HA PHE B 43 73.160 24.697 92.719 1.00 18.25 H new ATOM 0 HB2 PHE B 43 71.927 22.776 92.378 1.00 17.19 H new ATOM 0 HB3 PHE B 43 70.588 23.557 92.545 1.00 17.19 H new ATOM 0 HD1 PHE B 43 73.384 23.447 90.361 1.00 18.18 H new ATOM 0 HD2 PHE B 43 69.519 24.469 90.639 1.00 19.75 H new ATOM 0 HE1 PHE B 43 73.335 23.898 88.086 1.00 19.40 H new ATOM 0 HE2 PHE B 43 69.462 24.911 88.367 1.00 20.59 H new ATOM 0 HZ PHE B 43 71.355 24.578 87.082 1.00 20.63 H new ATOM 2025 N LEU B 44 70.609 26.508 93.329 1.00 18.52 N ANISOU 2025 N LEU B 44 1954 3017 2064 -2 80 56 N ATOM 2026 CA LEU B 44 70.005 27.814 93.122 1.00 19.55 C ANISOU 2026 CA LEU B 44 2069 3230 2130 -58 148 40 C ATOM 2027 C LEU B 44 71.000 28.946 93.388 1.00 19.82 C ANISOU 2027 C LEU B 44 2152 3225 2152 -56 5 -8 C ATOM 2028 O LEU B 44 70.862 30.020 92.806 1.00 19.48 O ANISOU 2028 O LEU B 44 2012 3023 2366 -70 -98 -137 O ATOM 2029 CB LEU B 44 68.778 27.995 93.983 1.00 20.33 C ANISOU 2029 CB LEU B 44 2133 3336 2255 12 231 186 C ATOM 2030 CG LEU B 44 67.597 27.134 93.565 1.00 21.56 C ANISOU 2030 CG LEU B 44 2221 3589 2380 4 187 255 C ATOM 2031 CD1 LEU B 44 66.477 27.208 94.596 1.00 22.28 C ANISOU 2031 CD1 LEU B 44 2525 3548 2394 -24 227 140 C ATOM 2032 CD2 LEU B 44 67.112 27.565 92.176 1.00 22.63 C ANISOU 2032 CD2 LEU B 44 2478 3643 2478 82 90 373 C ATOM 0 H LEU B 44 70.232 26.038 93.942 1.00 18.52 H new ATOM 0 HA LEU B 44 69.739 27.855 92.190 1.00 19.55 H new ATOM 0 HB2 LEU B 44 69.007 27.790 94.903 1.00 20.33 H new ATOM 0 HB3 LEU B 44 68.512 28.927 93.958 1.00 20.33 H new ATOM 0 HG LEU B 44 67.881 26.208 93.518 1.00 21.56 H new ATOM 0 HD11 LEU B 44 65.736 26.652 94.309 1.00 22.28 H new ATOM 0 HD12 LEU B 44 66.804 26.893 95.453 1.00 22.28 H new ATOM 0 HD13 LEU B 44 66.177 28.126 94.683 1.00 22.28 H new ATOM 0 HD21 LEU B 44 66.359 27.015 91.911 1.00 22.63 H new ATOM 0 HD22 LEU B 44 66.839 28.495 92.203 1.00 22.63 H new ATOM 0 HD23 LEU B 44 67.831 27.458 91.534 1.00 22.63 H new ATOM 2033 N LEU B 45 72.001 28.699 94.228 1.00 19.12 N ANISOU 2033 N LEU B 45 2310 2985 1971 -209 -107 210 N ATOM 2034 CA LEU B 45 73.053 29.697 94.406 1.00 19.42 C ANISOU 2034 CA LEU B 45 2362 3106 1909 -302 -280 370 C ATOM 2035 C LEU B 45 73.863 29.935 93.141 1.00 19.62 C ANISOU 2035 C LEU B 45 2238 3214 2001 -183 -260 392 C ATOM 2036 O LEU B 45 74.374 31.039 92.924 1.00 20.71 O ANISOU 2036 O LEU B 45 2348 3335 2185 -377 -96 421 O ATOM 2037 CB LEU B 45 74.015 29.277 95.518 1.00 20.85 C ANISOU 2037 CB LEU B 45 2888 3173 1862 -142 -344 394 C ATOM 2038 CG LEU B 45 73.419 29.276 96.918 1.00 23.28 C ANISOU 2038 CG LEU B 45 3300 3631 1914 -70 -408 286 C ATOM 2039 CD1 LEU B 45 74.447 28.763 97.901 1.00 24.69 C ANISOU 2039 CD1 LEU B 45 3618 3884 1878 -145 -412 375 C ATOM 2040 CD2 LEU B 45 72.959 30.682 97.283 1.00 23.93 C ANISOU 2040 CD2 LEU B 45 3360 3734 1998 24 -509 100 C ATOM 0 H LEU B 45 72.090 27.981 94.693 1.00 19.12 H new ATOM 0 HA LEU B 45 72.599 30.522 94.639 1.00 19.42 H new ATOM 0 HB2 LEU B 45 74.346 28.387 95.321 1.00 20.85 H new ATOM 0 HB3 LEU B 45 74.780 29.873 95.507 1.00 20.85 H new ATOM 0 HG LEU B 45 72.647 28.690 96.949 1.00 23.28 H new ATOM 0 HD11 LEU B 45 74.069 28.762 98.794 1.00 24.69 H new ATOM 0 HD12 LEU B 45 74.705 27.860 97.658 1.00 24.69 H new ATOM 0 HD13 LEU B 45 75.228 29.338 97.882 1.00 24.69 H new ATOM 0 HD21 LEU B 45 72.580 30.677 98.176 1.00 23.93 H new ATOM 0 HD22 LEU B 45 73.716 31.287 97.257 1.00 23.93 H new ATOM 0 HD23 LEU B 45 72.287 30.978 96.649 1.00 23.93 H new ATOM 2041 N ILE B 46 74.013 28.891 92.338 1.00 18.33 N ANISOU 2041 N ILE B 46 2033 2944 1988 16 -262 433 N ATOM 2042 CA ILE B 46 74.782 28.923 91.081 1.00 19.07 C ANISOU 2042 CA ILE B 46 2097 3035 2112 -225 -186 593 C ATOM 2043 C ILE B 46 73.859 29.388 89.954 1.00 18.69 C ANISOU 2043 C ILE B 46 1972 3000 2128 -194 -145 627 C ATOM 2044 O ILE B 46 74.257 30.155 89.078 1.00 18.45 O ANISOU 2044 O ILE B 46 1929 2850 2233 -403 -238 531 O ATOM 2045 CB ILE B 46 75.313 27.491 90.751 1.00 21.11 C ANISOU 2045 CB ILE B 46 2216 3407 2397 -103 -300 544 C ATOM 2046 CG1 ILE B 46 76.313 27.059 91.817 1.00 24.66 C ANISOU 2046 CG1 ILE B 46 2635 3890 2844 168 -440 535 C ATOM 2047 CG2 ILE B 46 75.948 27.391 89.376 1.00 21.69 C ANISOU 2047 CG2 ILE B 46 2389 3540 2311 -101 -340 295 C ATOM 2048 CD1 ILE B 46 76.686 25.591 91.753 1.00 26.51 C ANISOU 2048 CD1 ILE B 46 2815 4093 3163 -57 -423 442 C ATOM 0 H ILE B 46 73.666 28.122 92.505 1.00 18.33 H new ATOM 0 HA ILE B 46 75.533 29.530 91.172 1.00 19.07 H new ATOM 0 HB ILE B 46 74.545 26.898 90.746 1.00 21.11 H new ATOM 0 HG12 ILE B 46 77.118 27.592 91.727 1.00 24.66 H new ATOM 0 HG13 ILE B 46 75.942 27.251 92.692 1.00 24.66 H new ATOM 0 HG21 ILE B 46 76.258 26.484 89.228 1.00 21.69 H new ATOM 0 HG22 ILE B 46 75.293 27.624 88.699 1.00 21.69 H new ATOM 0 HG23 ILE B 46 76.700 28.002 89.321 1.00 21.69 H new ATOM 0 HD11 ILE B 46 77.322 25.388 92.456 1.00 26.51 H new ATOM 0 HD12 ILE B 46 75.890 25.049 91.871 1.00 26.51 H new ATOM 0 HD13 ILE B 46 77.085 25.396 90.891 1.00 26.51 H new ATOM 2049 N SER B 47 72.631 28.886 89.966 1.00 17.65 N ANISOU 2049 N SER B 47 1942 2650 2114 -127 -42 683 N ATOM 2050 CA SER B 47 71.666 29.144 88.910 1.00 17.64 C ANISOU 2050 CA SER B 47 1921 2547 2236 -360 -31 599 C ATOM 2051 C SER B 47 70.332 29.570 89.525 1.00 17.83 C ANISOU 2051 C SER B 47 1874 2622 2280 -187 -30 513 C ATOM 2052 O SER B 47 69.433 28.749 89.716 1.00 17.67 O ANISOU 2052 O SER B 47 1870 2605 2237 -168 -21 482 O ATOM 2053 CB SER B 47 71.511 27.914 88.031 1.00 18.72 C ANISOU 2053 CB SER B 47 2108 2669 2336 -315 -26 555 C ATOM 2054 OG SER B 47 70.734 28.214 86.914 1.00 20.95 O ANISOU 2054 OG SER B 47 2490 2990 2481 -499 29 610 O ATOM 0 H SER B 47 72.332 28.381 90.595 1.00 17.65 H new ATOM 0 HA SER B 47 71.983 29.868 88.348 1.00 17.64 H new ATOM 0 HB2 SER B 47 72.384 27.597 87.750 1.00 18.72 H new ATOM 0 HB3 SER B 47 71.098 27.197 88.537 1.00 18.72 H new ATOM 0 HG SER B 47 70.546 27.505 86.505 1.00 20.95 H new ATOM 2055 N PRO B 48 70.208 30.852 89.868 1.00 18.23 N ANISOU 2055 N PRO B 48 1926 2717 2284 -279 48 440 N ATOM 2056 CA PRO B 48 68.982 31.280 90.571 1.00 19.56 C ANISOU 2056 CA PRO B 48 2175 2945 2313 -185 158 296 C ATOM 2057 C PRO B 48 67.735 31.233 89.693 1.00 18.71 C ANISOU 2057 C PRO B 48 2059 2831 2220 -65 223 297 C ATOM 2058 O PRO B 48 66.646 31.337 90.221 1.00 19.31 O ANISOU 2058 O PRO B 48 2151 2993 2194 -218 271 235 O ATOM 2059 CB PRO B 48 69.296 32.711 91.011 1.00 20.78 C ANISOU 2059 CB PRO B 48 2551 2962 2383 -207 217 292 C ATOM 2060 CG PRO B 48 70.474 33.140 90.183 1.00 20.01 C ANISOU 2060 CG PRO B 48 2393 2822 2387 -262 214 239 C ATOM 2061 CD PRO B 48 71.267 31.881 89.959 1.00 18.20 C ANISOU 2061 CD PRO B 48 1998 2607 2312 -338 145 427 C ATOM 0 HA PRO B 48 68.771 30.686 91.309 1.00 19.56 H new ATOM 0 HB2 PRO B 48 68.536 33.295 90.865 1.00 20.78 H new ATOM 0 HB3 PRO B 48 69.504 32.747 91.958 1.00 20.78 H new ATOM 0 HG2 PRO B 48 70.189 33.531 89.342 1.00 20.01 H new ATOM 0 HG3 PRO B 48 71.002 33.811 90.643 1.00 20.01 H new ATOM 0 HD2 PRO B 48 71.797 31.927 89.148 1.00 18.20 H new ATOM 0 HD3 PRO B 48 71.880 31.705 90.689 1.00 18.20 H new ATOM 2062 N ASN B 49 67.892 31.016 88.384 1.00 18.03 N ANISOU 2062 N ASN B 49 1964 2750 2137 -117 227 514 N ATOM 2063 CA ASN B 49 66.737 30.844 87.500 1.00 16.37 C ANISOU 2063 CA ASN B 49 1702 2457 2059 -19 277 489 C ATOM 2064 C ASN B 49 66.262 29.390 87.455 1.00 15.96 C ANISOU 2064 C ASN B 49 1624 2378 2063 40 214 456 C ATOM 2065 O ASN B 49 65.368 29.034 86.689 1.00 15.52 O ANISOU 2065 O ASN B 49 1557 2274 2066 150 180 440 O ATOM 2066 CB ASN B 49 67.070 31.370 86.110 1.00 15.47 C ANISOU 2066 CB ASN B 49 1577 2262 2038 177 316 453 C ATOM 2067 CG ASN B 49 65.855 31.459 85.197 1.00 15.39 C ANISOU 2067 CG ASN B 49 1609 2201 2036 78 284 444 C ATOM 2068 OD1 ASN B 49 64.793 31.996 85.573 1.00 16.02 O ANISOU 2068 OD1 ASN B 49 1715 2353 2018 106 271 422 O ATOM 2069 ND2 ASN B 49 66.010 30.955 83.964 1.00 15.84 N ANISOU 2069 ND2 ASN B 49 1756 2237 2027 230 246 439 N ATOM 0 H ASN B 49 68.655 30.965 87.991 1.00 18.03 H new ATOM 0 HA ASN B 49 65.998 31.361 87.859 1.00 16.37 H new ATOM 0 HB2 ASN B 49 67.472 32.249 86.191 1.00 15.47 H new ATOM 0 HB3 ASN B 49 67.733 30.791 85.702 1.00 15.47 H new ATOM 0 HD21 ASN B 49 65.363 30.995 83.399 1.00 15.84 H new ATOM 0 HD22 ASN B 49 66.756 30.592 83.739 1.00 15.84 H new ATOM 2070 N ASN B 50 66.869 28.550 88.289 1.00 17.30 N ANISOU 2070 N ASN B 50 1941 2547 2084 -146 161 512 N ATOM 2071 CA ASN B 50 66.503 27.129 88.421 1.00 16.88 C ANISOU 2071 CA ASN B 50 1860 2397 2157 -108 189 534 C ATOM 2072 C ASN B 50 66.584 26.356 87.102 1.00 17.22 C ANISOU 2072 C ASN B 50 1762 2562 2220 -136 99 520 C ATOM 2073 O ASN B 50 65.794 25.443 86.844 1.00 17.55 O ANISOU 2073 O ASN B 50 1823 2594 2253 -66 64 500 O ATOM 2074 CB ASN B 50 65.152 26.893 89.146 1.00 16.36 C ANISOU 2074 CB ASN B 50 1817 2146 2253 -206 286 499 C ATOM 2075 CG ASN B 50 63.916 27.392 88.380 1.00 18.74 C ANISOU 2075 CG ASN B 50 2160 2565 2397 -252 340 515 C ATOM 2076 OD1 ASN B 50 63.272 28.373 88.790 1.00 19.09 O ANISOU 2076 OD1 ASN B 50 2128 2754 2371 -292 563 604 O ATOM 2077 ND2 ASN B 50 63.543 26.686 87.306 1.00 19.10 N ANISOU 2077 ND2 ASN B 50 2277 2489 2492 -43 151 421 N ATOM 0 H ASN B 50 67.515 28.787 88.804 1.00 17.30 H new ATOM 0 HA ASN B 50 67.187 26.760 89.002 1.00 16.88 H new ATOM 0 HB2 ASN B 50 65.051 25.943 89.315 1.00 16.36 H new ATOM 0 HB3 ASN B 50 65.181 27.333 90.010 1.00 16.36 H new ATOM 0 HD21 ASN B 50 62.834 26.906 86.872 1.00 19.10 H new ATOM 0 HD22 ASN B 50 64.012 26.012 87.050 1.00 19.10 H new ATOM 2078 N LYS B 51 67.597 26.680 86.300 1.00 16.52 N ANISOU 2078 N LYS B 51 1491 2521 2264 -171 34 440 N ATOM 2079 CA LYS B 51 67.763 25.986 85.035 1.00 17.18 C ANISOU 2079 CA LYS B 51 1618 2568 2342 -260 47 382 C ATOM 2080 C LYS B 51 69.197 25.589 84.732 1.00 17.39 C ANISOU 2080 C LYS B 51 1712 2557 2339 -48 35 402 C ATOM 2081 O LYS B 51 70.145 26.213 85.225 1.00 17.65 O ANISOU 2081 O LYS B 51 1779 2601 2326 15 96 318 O ATOM 2082 CB LYS B 51 67.217 26.862 83.888 1.00 18.55 C ANISOU 2082 CB LYS B 51 1906 2638 2504 -167 93 387 C ATOM 2083 CG LYS B 51 65.694 27.012 83.970 1.00 21.84 C ANISOU 2083 CG LYS B 51 2164 3200 2936 387 132 394 C ATOM 2084 CD LYS B 51 65.140 27.810 82.795 1.00 27.61 C ANISOU 2084 CD LYS B 51 2816 3797 3878 467 183 394 C ATOM 2085 CE LYS B 51 63.665 28.165 83.003 1.00 34.09 C ANISOU 2085 CE LYS B 51 2996 4649 5309 333 562 82 C ATOM 2086 NZ LYS B 51 62.762 27.007 82.786 1.00 40.25 N ANISOU 2086 NZ LYS B 51 3303 5503 6489 352 629 -21 N ATOM 0 H LYS B 51 68.185 27.285 86.468 1.00 16.52 H new ATOM 0 HA LYS B 51 67.261 25.159 85.111 1.00 17.18 H new ATOM 0 HB2 LYS B 51 67.632 27.738 83.923 1.00 18.55 H new ATOM 0 HB3 LYS B 51 67.459 26.468 83.035 1.00 18.55 H new ATOM 0 HG2 LYS B 51 65.283 26.134 83.987 1.00 21.84 H new ATOM 0 HG3 LYS B 51 65.457 27.453 84.801 1.00 21.84 H new ATOM 0 HD2 LYS B 51 65.657 28.623 82.682 1.00 27.61 H new ATOM 0 HD3 LYS B 51 65.238 27.296 81.978 1.00 27.61 H new ATOM 0 HE2 LYS B 51 63.541 28.503 83.904 1.00 34.09 H new ATOM 0 HE3 LYS B 51 63.419 28.880 82.396 1.00 34.09 H new ATOM 0 HZ1 LYS B 51 61.916 27.269 82.874 1.00 40.25 H new ATOM 0 HZ2 LYS B 51 62.887 26.682 81.967 1.00 40.25 H new ATOM 0 HZ3 LYS B 51 62.940 26.375 83.386 1.00 40.25 H new ATOM 2087 N ILE B 52 69.345 24.554 83.906 1.00 16.47 N ANISOU 2087 N ILE B 52 1688 2231 2340 -224 -67 558 N ATOM 2088 CA ILE B 52 70.634 24.267 83.294 1.00 16.02 C ANISOU 2088 CA ILE B 52 1738 2092 2256 -42 -96 613 C ATOM 2089 C ILE B 52 70.613 24.781 81.848 1.00 15.85 C ANISOU 2089 C ILE B 52 1655 2096 2271 -46 -20 511 C ATOM 2090 O ILE B 52 69.554 24.995 81.283 1.00 16.65 O ANISOU 2090 O ILE B 52 1737 2315 2275 -91 63 444 O ATOM 2091 CB ILE B 52 70.986 22.752 83.341 1.00 15.76 C ANISOU 2091 CB ILE B 52 1718 2081 2188 8 -87 744 C ATOM 2092 CG1 ILE B 52 70.039 21.895 82.493 1.00 15.90 C ANISOU 2092 CG1 ILE B 52 1813 1973 2257 -19 -80 802 C ATOM 2093 CG2 ILE B 52 71.025 22.271 84.812 1.00 17.01 C ANISOU 2093 CG2 ILE B 52 1990 2374 2098 46 18 718 C ATOM 2094 CD1 ILE B 52 70.455 21.745 80.997 1.00 16.73 C ANISOU 2094 CD1 ILE B 52 1884 2154 2318 -93 9 700 C ATOM 0 H ILE B 52 68.714 24.011 83.690 1.00 16.47 H new ATOM 0 HA ILE B 52 71.326 24.721 83.799 1.00 16.02 H new ATOM 0 HB ILE B 52 71.865 22.640 82.947 1.00 15.76 H new ATOM 0 HG12 ILE B 52 69.980 21.012 82.889 1.00 15.90 H new ATOM 0 HG13 ILE B 52 69.151 22.283 82.531 1.00 15.90 H new ATOM 0 HG21 ILE B 52 71.245 21.327 84.838 1.00 17.01 H new ATOM 0 HG22 ILE B 52 71.698 22.772 85.299 1.00 17.01 H new ATOM 0 HG23 ILE B 52 70.157 22.412 85.222 1.00 17.01 H new ATOM 0 HD11 ILE B 52 69.806 21.191 80.535 1.00 16.73 H new ATOM 0 HD12 ILE B 52 70.488 22.620 80.581 1.00 16.73 H new ATOM 0 HD13 ILE B 52 71.330 21.330 80.944 1.00 16.73 H new ATOM 2095 N PRO B 53 71.791 24.982 81.250 1.00 15.57 N ANISOU 2095 N PRO B 53 1611 2071 2233 -59 -34 585 N ATOM 2096 CA PRO B 53 73.123 24.798 81.822 1.00 15.99 C ANISOU 2096 CA PRO B 53 1695 2212 2169 -56 -80 597 C ATOM 2097 C PRO B 53 73.542 25.927 82.780 1.00 14.80 C ANISOU 2097 C PRO B 53 1617 2020 1987 -40 -75 587 C ATOM 2098 O PRO B 53 73.037 27.035 82.708 1.00 14.19 O ANISOU 2098 O PRO B 53 1550 1895 1945 -45 -123 498 O ATOM 2099 CB PRO B 53 74.032 24.819 80.589 1.00 15.87 C ANISOU 2099 CB PRO B 53 1641 2139 2248 28 -51 607 C ATOM 2100 CG PRO B 53 73.303 25.742 79.643 1.00 14.65 C ANISOU 2100 CG PRO B 53 1502 1789 2274 49 24 596 C ATOM 2101 CD PRO B 53 71.855 25.402 79.836 1.00 15.57 C ANISOU 2101 CD PRO B 53 1607 2070 2240 -20 26 629 C ATOM 0 HA PRO B 53 73.166 23.988 82.354 1.00 15.99 H new ATOM 0 HB2 PRO B 53 74.918 25.151 80.802 1.00 15.87 H new ATOM 0 HB3 PRO B 53 74.144 23.933 80.211 1.00 15.87 H new ATOM 0 HG2 PRO B 53 73.479 26.673 79.851 1.00 14.65 H new ATOM 0 HG3 PRO B 53 73.581 25.599 78.725 1.00 14.65 H new ATOM 0 HD2 PRO B 53 71.282 26.165 79.663 1.00 15.57 H new ATOM 0 HD3 PRO B 53 71.571 24.693 79.239 1.00 15.57 H new ATOM 2102 N ALA B 54 74.477 25.601 83.663 1.00 14.68 N ANISOU 2102 N ALA B 54 1627 2036 1915 197 -3 669 N ATOM 2103 CA ALA B 54 75.211 26.601 84.453 1.00 15.20 C ANISOU 2103 CA ALA B 54 1580 2322 1873 226 31 682 C ATOM 2104 C ALA B 54 76.637 26.137 84.565 1.00 15.23 C ANISOU 2104 C ALA B 54 1605 2327 1853 260 -22 724 C ATOM 2105 O ALA B 54 76.885 24.925 84.594 1.00 16.09 O ANISOU 2105 O ALA B 54 1854 2357 1901 370 -111 783 O ATOM 2106 CB ALA B 54 74.587 26.761 85.853 1.00 16.26 C ANISOU 2106 CB ALA B 54 1676 2643 1858 -44 91 674 C ATOM 0 H ALA B 54 74.710 24.790 83.827 1.00 14.68 H new ATOM 0 HA ALA B 54 75.168 27.466 84.017 1.00 15.20 H new ATOM 0 HB1 ALA B 54 75.086 27.424 86.356 1.00 16.26 H new ATOM 0 HB2 ALA B 54 73.665 27.049 85.765 1.00 16.26 H new ATOM 0 HB3 ALA B 54 74.617 25.911 86.320 1.00 16.26 H new ATOM 2107 N ILE B 55 77.590 27.070 84.609 1.00 15.18 N ANISOU 2107 N ILE B 55 1431 2501 1835 228 -9 743 N ATOM 2108 CA ILE B 55 78.953 26.676 84.866 1.00 15.77 C ANISOU 2108 CA ILE B 55 1594 2473 1926 435 -58 768 C ATOM 2109 C ILE B 55 79.494 27.340 86.120 1.00 16.21 C ANISOU 2109 C ILE B 55 1498 2715 1945 280 -67 821 C ATOM 2110 O ILE B 55 78.992 28.359 86.574 1.00 15.31 O ANISOU 2110 O ILE B 55 1306 2596 1917 60 -3 745 O ATOM 2111 CB ILE B 55 79.932 26.999 83.711 1.00 17.04 C ANISOU 2111 CB ILE B 55 1654 2704 2116 384 -6 721 C ATOM 2112 CG1 ILE B 55 80.019 28.502 83.449 1.00 17.73 C ANISOU 2112 CG1 ILE B 55 1679 2791 2268 364 -83 721 C ATOM 2113 CG2 ILE B 55 79.528 26.261 82.417 1.00 18.48 C ANISOU 2113 CG2 ILE B 55 1834 3034 2153 450 180 638 C ATOM 2114 CD1 ILE B 55 81.204 28.896 82.575 1.00 19.53 C ANISOU 2114 CD1 ILE B 55 1837 3234 2348 282 -43 659 C ATOM 0 H ILE B 55 77.463 27.913 84.495 1.00 15.18 H new ATOM 0 HA ILE B 55 78.908 25.713 84.969 1.00 15.77 H new ATOM 0 HB ILE B 55 80.808 26.688 83.987 1.00 17.04 H new ATOM 0 HG12 ILE B 55 79.199 28.797 83.023 1.00 17.73 H new ATOM 0 HG13 ILE B 55 80.082 28.968 84.297 1.00 17.73 H new ATOM 0 HG21 ILE B 55 80.155 26.479 81.710 1.00 18.48 H new ATOM 0 HG22 ILE B 55 79.538 25.304 82.573 1.00 18.48 H new ATOM 0 HG23 ILE B 55 78.636 26.535 82.153 1.00 18.48 H new ATOM 0 HD11 ILE B 55 81.205 29.857 82.445 1.00 19.53 H new ATOM 0 HD12 ILE B 55 82.029 28.628 83.008 1.00 19.53 H new ATOM 0 HD13 ILE B 55 81.133 28.454 81.714 1.00 19.53 H new ATOM 2115 N VAL B 56 80.512 26.707 86.675 1.00 16.92 N ANISOU 2115 N VAL B 56 1506 2864 2060 326 -98 933 N ATOM 2116 CA VAL B 56 81.359 27.338 87.656 1.00 18.52 C ANISOU 2116 CA VAL B 56 1794 3033 2211 307 -170 913 C ATOM 2117 C VAL B 56 82.779 27.271 87.100 1.00 19.21 C ANISOU 2117 C VAL B 56 1704 3203 2393 452 -246 854 C ATOM 2118 O VAL B 56 83.284 26.193 86.828 1.00 20.55 O ANISOU 2118 O VAL B 56 1970 3228 2609 585 -181 718 O ATOM 2119 CB VAL B 56 81.279 26.623 89.020 1.00 19.85 C ANISOU 2119 CB VAL B 56 2012 3277 2253 319 -184 923 C ATOM 2120 CG1 VAL B 56 82.297 27.197 89.969 1.00 20.09 C ANISOU 2120 CG1 VAL B 56 1932 3529 2171 502 -166 912 C ATOM 2121 CG2 VAL B 56 79.889 26.786 89.574 1.00 19.54 C ANISOU 2121 CG2 VAL B 56 2063 3037 2324 293 -245 964 C ATOM 0 H VAL B 56 80.729 25.896 86.490 1.00 16.92 H new ATOM 0 HA VAL B 56 81.077 28.253 87.811 1.00 18.52 H new ATOM 0 HB VAL B 56 81.472 25.679 88.907 1.00 19.85 H new ATOM 0 HG11 VAL B 56 82.238 26.740 90.823 1.00 20.09 H new ATOM 0 HG12 VAL B 56 83.186 27.078 89.600 1.00 20.09 H new ATOM 0 HG13 VAL B 56 82.124 28.143 90.096 1.00 20.09 H new ATOM 0 HG21 VAL B 56 79.828 26.339 90.433 1.00 19.54 H new ATOM 0 HG22 VAL B 56 79.694 27.729 89.686 1.00 19.54 H new ATOM 0 HG23 VAL B 56 79.248 26.394 88.960 1.00 19.54 H new ATOM 2122 N ASP B 57 83.398 28.438 86.922 1.00 18.94 N ANISOU 2122 N ASP B 57 1562 3224 2410 324 -334 946 N ATOM 2123 CA ASP B 57 84.753 28.555 86.431 1.00 20.25 C ANISOU 2123 CA ASP B 57 1602 3553 2540 387 -331 980 C ATOM 2124 C ASP B 57 85.692 28.710 87.617 1.00 20.20 C ANISOU 2124 C ASP B 57 1429 3610 2637 225 -293 1062 C ATOM 2125 O ASP B 57 85.623 29.707 88.324 1.00 20.19 O ANISOU 2125 O ASP B 57 1418 3638 2615 0 -294 1031 O ATOM 2126 CB ASP B 57 84.861 29.769 85.504 1.00 21.01 C ANISOU 2126 CB ASP B 57 1672 3659 2653 326 -296 969 C ATOM 2127 CG ASP B 57 86.253 29.939 84.908 1.00 21.26 C ANISOU 2127 CG ASP B 57 1590 3721 2767 378 -247 958 C ATOM 2128 OD1 ASP B 57 87.161 29.121 85.209 1.00 21.44 O ANISOU 2128 OD1 ASP B 57 1695 3645 2806 454 -331 980 O ATOM 2129 OD2 ASP B 57 86.453 30.888 84.119 1.00 21.51 O ANISOU 2129 OD2 ASP B 57 1662 3687 2823 407 -108 923 O ATOM 0 H ASP B 57 83.027 29.195 87.089 1.00 18.94 H new ATOM 0 HA ASP B 57 84.996 27.761 85.929 1.00 20.25 H new ATOM 0 HB2 ASP B 57 84.215 29.680 84.786 1.00 21.01 H new ATOM 0 HB3 ASP B 57 84.626 30.570 85.999 1.00 21.01 H new ATOM 2130 N HIS B 58 86.530 27.692 87.847 1.00 21.72 N ANISOU 2130 N HIS B 58 1476 3893 2882 323 -265 1173 N ATOM 2131 CA HIS B 58 87.438 27.681 88.977 1.00 25.41 C ANISOU 2131 CA HIS B 58 2057 4470 3126 141 -395 1166 C ATOM 2132 C HIS B 58 88.760 28.411 88.732 1.00 26.92 C ANISOU 2132 C HIS B 58 2048 4788 3394 46 -495 1180 C ATOM 2133 O HIS B 58 89.546 28.554 89.634 1.00 28.12 O ANISOU 2133 O HIS B 58 2212 5011 3463 -144 -734 1245 O ATOM 2134 CB HIS B 58 87.738 26.246 89.421 1.00 25.52 C ANISOU 2134 CB HIS B 58 2049 4450 3196 461 -439 1182 C ATOM 2135 CG HIS B 58 86.552 25.559 90.015 1.00 26.98 C ANISOU 2135 CG HIS B 58 2386 4656 3208 498 -360 1180 C ATOM 2136 ND1 HIS B 58 86.161 25.747 91.324 1.00 27.76 N ANISOU 2136 ND1 HIS B 58 2575 4814 3160 569 -284 1098 N ATOM 2137 CD2 HIS B 58 85.650 24.712 89.470 1.00 27.74 C ANISOU 2137 CD2 HIS B 58 2815 4536 3188 440 -333 1218 C ATOM 2138 CE1 HIS B 58 85.078 25.032 91.562 1.00 26.44 C ANISOU 2138 CE1 HIS B 58 2557 4329 3159 721 -217 1096 C ATOM 2139 NE2 HIS B 58 84.739 24.407 90.451 1.00 27.53 N ANISOU 2139 NE2 HIS B 58 2843 4481 3136 401 -311 1215 N ATOM 0 H HIS B 58 86.581 26.994 87.348 1.00 21.72 H new ATOM 0 HA HIS B 58 86.972 28.167 89.675 1.00 25.41 H new ATOM 0 HB2 HIS B 58 88.053 25.736 88.658 1.00 25.52 H new ATOM 0 HB3 HIS B 58 88.458 26.258 90.071 1.00 25.52 H new ATOM 0 HD2 HIS B 58 85.647 24.396 88.595 1.00 27.74 H new ATOM 0 HE1 HIS B 58 84.630 24.978 92.375 1.00 26.44 H new ATOM 0 HE2 HIS B 58 84.057 23.891 90.356 1.00 27.53 H new ATOM 2140 N SER B 59 88.991 28.866 87.514 1.00 26.46 N ANISOU 2140 N SER B 59 1904 4504 3646 318 -313 1211 N ATOM 2141 CA SER B 59 90.181 29.677 87.251 1.00 29.75 C ANISOU 2141 CA SER B 59 2244 4952 4109 130 -143 1163 C ATOM 2142 C SER B 59 89.774 30.893 86.401 1.00 25.96 C ANISOU 2142 C SER B 59 1606 4544 3714 -93 -126 1070 C ATOM 2143 O SER B 59 90.158 31.029 85.239 1.00 26.61 O ANISOU 2143 O SER B 59 1865 4610 3637 -85 -127 838 O ATOM 2144 CB SER B 59 91.263 28.847 86.572 1.00 38.39 C ANISOU 2144 CB SER B 59 3230 6284 5072 544 38 758 C ATOM 2145 OG SER B 59 90.808 28.463 85.291 1.00 50.61 O ANISOU 2145 OG SER B 59 5870 7676 5685 461 344 -67 O ATOM 0 H SER B 59 88.486 28.724 86.832 1.00 26.46 H new ATOM 0 HA SER B 59 90.556 29.992 88.088 1.00 29.75 H new ATOM 0 HB2 SER B 59 92.082 29.361 86.497 1.00 38.39 H new ATOM 0 HB3 SER B 59 91.468 28.062 87.104 1.00 38.39 H new ATOM 0 HG SER B 59 90.707 29.146 84.813 1.00 50.61 H new ATOM 2146 N PRO B 60 88.970 31.783 86.978 1.00 25.92 N ANISOU 2146 N PRO B 60 1886 4413 3549 -12 -197 1116 N ATOM 2147 CA PRO B 60 88.542 32.968 86.263 1.00 25.33 C ANISOU 2147 CA PRO B 60 1765 4450 3409 -181 -422 1064 C ATOM 2148 C PRO B 60 89.751 33.865 85.953 1.00 26.04 C ANISOU 2148 C PRO B 60 1768 4700 3427 -371 -509 1134 C ATOM 2149 O PRO B 60 90.811 33.696 86.564 1.00 25.95 O ANISOU 2149 O PRO B 60 1854 4582 3424 -535 -559 1144 O ATOM 2150 CB PRO B 60 87.575 33.643 87.246 1.00 24.66 C ANISOU 2150 CB PRO B 60 1890 4136 3343 -393 -514 1005 C ATOM 2151 CG PRO B 60 88.042 33.166 88.590 1.00 26.60 C ANISOU 2151 CG PRO B 60 2519 4309 3280 -404 -297 1259 C ATOM 2152 CD PRO B 60 88.541 31.784 88.381 1.00 27.58 C ANISOU 2152 CD PRO B 60 2507 4600 3371 48 -193 1219 C ATOM 0 HA PRO B 60 88.127 32.779 85.407 1.00 25.33 H new ATOM 0 HB2 PRO B 60 87.615 34.610 87.178 1.00 24.66 H new ATOM 0 HB3 PRO B 60 86.656 33.384 87.076 1.00 24.66 H new ATOM 0 HG2 PRO B 60 88.743 33.739 88.938 1.00 26.60 H new ATOM 0 HG3 PRO B 60 87.317 33.180 89.235 1.00 26.60 H new ATOM 0 HD2 PRO B 60 89.275 31.575 88.979 1.00 27.58 H new ATOM 0 HD3 PRO B 60 87.847 31.126 88.543 1.00 27.58 H new ATOM 2153 N ALA B 61 89.592 34.764 84.982 1.00 26.43 N ANISOU 2153 N ALA B 61 2012 4471 3558 -349 -547 1083 N ATOM 2154 CA ALA B 61 90.728 35.582 84.501 1.00 28.48 C ANISOU 2154 CA ALA B 61 2431 4725 3665 -544 -591 1083 C ATOM 2155 C ALA B 61 91.258 36.521 85.568 1.00 29.08 C ANISOU 2155 C ALA B 61 2095 5186 3768 -519 -647 1023 C ATOM 2156 O ALA B 61 92.411 36.872 85.551 1.00 31.94 O ANISOU 2156 O ALA B 61 2394 5919 3823 -804 -480 1069 O ATOM 2157 CB ALA B 61 90.312 36.385 83.248 1.00 30.15 C ANISOU 2157 CB ALA B 61 3198 4586 3672 -634 -544 1214 C ATOM 0 H ALA B 61 88.845 34.921 84.586 1.00 26.43 H new ATOM 0 HA ALA B 61 91.446 34.970 84.274 1.00 28.48 H new ATOM 0 HB1 ALA B 61 91.062 36.917 82.941 1.00 30.15 H new ATOM 0 HB2 ALA B 61 90.042 35.773 82.546 1.00 30.15 H new ATOM 0 HB3 ALA B 61 89.571 36.970 83.470 1.00 30.15 H new ATOM 2158 N ASP B 62 90.399 36.952 86.485 1.00 28.99 N ANISOU 2158 N ASP B 62 2297 4855 3863 -877 -832 944 N ATOM 2159 CA ASP B 62 90.817 37.880 87.519 1.00 30.40 C ANISOU 2159 CA ASP B 62 2449 5115 3987 -624 -1066 888 C ATOM 2160 C ASP B 62 91.556 37.195 88.683 1.00 32.29 C ANISOU 2160 C ASP B 62 3120 5103 4044 -515 -1224 864 C ATOM 2161 O ASP B 62 91.920 37.854 89.635 1.00 35.43 O ANISOU 2161 O ASP B 62 3788 5468 4205 -665 -1394 841 O ATOM 2162 CB ASP B 62 89.630 38.704 88.037 1.00 29.65 C ANISOU 2162 CB ASP B 62 2471 4823 3973 -597 -1064 883 C ATOM 2163 CG ASP B 62 88.569 37.859 88.727 1.00 30.36 C ANISOU 2163 CG ASP B 62 2742 4988 3806 -498 -724 859 C ATOM 2164 OD1 ASP B 62 88.751 36.632 88.846 1.00 30.27 O ANISOU 2164 OD1 ASP B 62 2986 4771 3744 -255 -546 1393 O ATOM 2165 OD2 ASP B 62 87.526 38.427 89.116 1.00 32.25 O ANISOU 2165 OD2 ASP B 62 3229 5275 3750 -586 -550 347 O ATOM 0 H ASP B 62 89.572 36.718 86.523 1.00 28.99 H new ATOM 0 HA ASP B 62 91.454 38.480 87.102 1.00 30.40 H new ATOM 0 HB2 ASP B 62 89.956 39.374 88.658 1.00 29.65 H new ATOM 0 HB3 ASP B 62 89.225 39.179 87.294 1.00 29.65 H new ATOM 2166 N GLY B 63 91.780 35.887 88.596 1.00 30.89 N ANISOU 2166 N GLY B 63 2790 5033 3915 -474 -1197 848 N ATOM 2167 CA GLY B 63 92.463 35.139 89.662 1.00 31.02 C ANISOU 2167 CA GLY B 63 2734 5294 3757 -260 -1223 777 C ATOM 2168 C GLY B 63 91.676 35.017 90.970 1.00 29.42 C ANISOU 2168 C GLY B 63 2281 5198 3700 -407 -1121 905 C ATOM 2169 O GLY B 63 92.233 34.666 92.016 1.00 30.50 O ANISOU 2169 O GLY B 63 2579 5330 3681 -629 -1082 1067 O ATOM 0 H GLY B 63 91.544 35.406 87.923 1.00 30.89 H new ATOM 0 HA2 GLY B 63 92.664 34.248 89.336 1.00 31.02 H new ATOM 0 HA3 GLY B 63 93.311 35.570 89.849 1.00 31.02 H new ATOM 2170 N GLY B 64 90.385 35.287 90.921 1.00 28.12 N ANISOU 2170 N GLY B 64 2224 4825 3637 -366 -979 900 N ATOM 2171 CA GLY B 64 89.578 35.330 92.131 1.00 28.99 C ANISOU 2171 CA GLY B 64 2769 4807 3440 -246 -843 917 C ATOM 2172 C GLY B 64 88.799 34.053 92.448 1.00 27.49 C ANISOU 2172 C GLY B 64 2468 4760 3216 -246 -797 906 C ATOM 2173 O GLY B 64 89.179 32.945 92.053 1.00 26.98 O ANISOU 2173 O GLY B 64 2292 4757 3201 -310 -631 954 O ATOM 0 H GLY B 64 89.952 35.449 90.196 1.00 28.12 H new ATOM 0 HA2 GLY B 64 90.159 35.531 92.882 1.00 28.99 H new ATOM 0 HA3 GLY B 64 88.948 36.064 92.055 1.00 28.99 H new ATOM 2174 N GLU B 65 87.708 34.229 93.181 1.00 24.34 N ANISOU 2174 N GLU B 65 2017 4315 2917 -186 -981 771 N ATOM 2175 CA GLU B 65 86.877 33.108 93.628 1.00 23.33 C ANISOU 2175 CA GLU B 65 1971 4241 2651 -111 -994 648 C ATOM 2176 C GLU B 65 86.139 32.463 92.454 1.00 23.13 C ANISOU 2176 C GLU B 65 2176 4083 2530 8 -984 757 C ATOM 2177 O GLU B 65 86.019 33.066 91.394 1.00 22.86 O ANISOU 2177 O GLU B 65 2266 3909 2511 -154 -903 826 O ATOM 2178 CB GLU B 65 85.892 33.591 94.695 1.00 24.83 C ANISOU 2178 CB GLU B 65 2391 4359 2684 -314 -966 581 C ATOM 2179 CG GLU B 65 86.624 34.010 95.967 1.00 28.42 C ANISOU 2179 CG GLU B 65 2889 5001 2910 55 -1215 567 C ATOM 2180 CD GLU B 65 85.759 34.692 97.016 1.00 32.57 C ANISOU 2180 CD GLU B 65 3341 5753 3280 326 -1275 336 C ATOM 2181 OE1 GLU B 65 84.594 34.972 96.733 1.00 35.52 O ANISOU 2181 OE1 GLU B 65 3609 6267 3621 543 -1310 240 O ATOM 2182 OE2 GLU B 65 86.255 34.938 98.151 1.00 33.15 O ANISOU 2182 OE2 GLU B 65 4120 5208 3269 251 -1150 251 O ATOM 0 H GLU B 65 87.425 35.000 93.436 1.00 24.34 H new ATOM 0 HA GLU B 65 87.453 32.430 94.015 1.00 23.33 H new ATOM 0 HB2 GLU B 65 85.379 34.339 94.351 1.00 24.83 H new ATOM 0 HB3 GLU B 65 85.260 32.884 94.900 1.00 24.83 H new ATOM 0 HG2 GLU B 65 87.029 33.223 96.364 1.00 28.42 H new ATOM 0 HG3 GLU B 65 87.347 34.610 95.725 1.00 28.42 H new ATOM 2183 N PRO B 66 85.642 31.230 92.633 1.00 23.89 N ANISOU 2183 N PRO B 66 2300 4214 2563 -89 -934 864 N ATOM 2184 CA PRO B 66 84.941 30.585 91.521 1.00 22.18 C ANISOU 2184 CA PRO B 66 1923 4031 2473 40 -706 888 C ATOM 2185 C PRO B 66 83.838 31.457 90.971 1.00 21.06 C ANISOU 2185 C PRO B 66 1911 3798 2294 94 -611 772 C ATOM 2186 O PRO B 66 83.107 32.098 91.720 1.00 21.35 O ANISOU 2186 O PRO B 66 2033 3819 2259 53 -485 753 O ATOM 2187 CB PRO B 66 84.386 29.306 92.134 1.00 23.94 C ANISOU 2187 CB PRO B 66 2091 4376 2631 -24 -714 983 C ATOM 2188 CG PRO B 66 85.325 29.007 93.287 1.00 26.22 C ANISOU 2188 CG PRO B 66 2632 4658 2673 212 -986 1016 C ATOM 2189 CD PRO B 66 85.771 30.342 93.805 1.00 26.51 C ANISOU 2189 CD PRO B 66 2785 4656 2633 -45 -1039 932 C ATOM 0 HA PRO B 66 85.525 30.416 90.765 1.00 22.18 H new ATOM 0 HB2 PRO B 66 83.474 29.427 92.442 1.00 23.94 H new ATOM 0 HB3 PRO B 66 84.374 28.581 91.490 1.00 23.94 H new ATOM 0 HG2 PRO B 66 84.875 28.497 93.979 1.00 26.22 H new ATOM 0 HG3 PRO B 66 86.082 28.478 92.991 1.00 26.22 H new ATOM 0 HD2 PRO B 66 85.217 30.642 94.542 1.00 26.51 H new ATOM 0 HD3 PRO B 66 86.684 30.311 94.131 1.00 26.51 H new ATOM 2190 N LEU B 67 83.723 31.485 89.657 1.00 18.36 N ANISOU 2190 N LEU B 67 1504 3241 2230 172 -648 705 N ATOM 2191 CA LEU B 67 82.750 32.362 88.991 1.00 18.10 C ANISOU 2191 CA LEU B 67 1476 3246 2155 91 -580 701 C ATOM 2192 C LEU B 67 81.622 31.500 88.454 1.00 17.75 C ANISOU 2192 C LEU B 67 1532 3143 2069 83 -459 623 C ATOM 2193 O LEU B 67 81.842 30.661 87.580 1.00 17.79 O ANISOU 2193 O LEU B 67 1679 3028 2054 11 -301 638 O ATOM 2194 CB LEU B 67 83.451 33.117 87.868 1.00 18.31 C ANISOU 2194 CB LEU B 67 1503 3247 2206 214 -501 735 C ATOM 2195 CG LEU B 67 82.730 34.297 87.201 1.00 18.30 C ANISOU 2195 CG LEU B 67 1512 3170 2270 85 -434 680 C ATOM 2196 CD1 LEU B 67 83.760 35.188 86.503 1.00 20.68 C ANISOU 2196 CD1 LEU B 67 2095 3273 2489 -52 -409 624 C ATOM 2197 CD2 LEU B 67 81.680 33.814 86.227 1.00 17.08 C ANISOU 2197 CD2 LEU B 67 1529 2883 2077 -19 -375 681 C ATOM 0 H LEU B 67 84.196 31.006 89.122 1.00 18.36 H new ATOM 0 HA LEU B 67 82.382 33.012 89.610 1.00 18.10 H new ATOM 0 HB2 LEU B 67 84.292 33.448 88.219 1.00 18.31 H new ATOM 0 HB3 LEU B 67 83.666 32.475 87.173 1.00 18.31 H new ATOM 0 HG LEU B 67 82.272 34.814 87.882 1.00 18.30 H new ATOM 0 HD11 LEU B 67 83.308 35.935 86.080 1.00 20.68 H new ATOM 0 HD12 LEU B 67 84.395 35.522 87.156 1.00 20.68 H new ATOM 0 HD13 LEU B 67 84.231 34.672 85.830 1.00 20.68 H new ATOM 0 HD21 LEU B 67 81.240 34.577 85.820 1.00 17.08 H new ATOM 0 HD22 LEU B 67 82.101 33.278 85.537 1.00 17.08 H new ATOM 0 HD23 LEU B 67 81.024 33.277 86.698 1.00 17.08 H new ATOM 2198 N SER B 68 80.417 31.730 88.970 1.00 18.10 N ANISOU 2198 N SER B 68 1644 3117 2118 24 -406 532 N ATOM 2199 CA SER B 68 79.258 30.990 88.525 1.00 18.28 C ANISOU 2199 CA SER B 68 1699 3105 2143 193 -315 569 C ATOM 2200 C SER B 68 78.514 31.788 87.443 1.00 19.04 C ANISOU 2200 C SER B 68 2046 3088 2102 99 -434 571 C ATOM 2201 O SER B 68 78.442 33.006 87.505 1.00 17.40 O ANISOU 2201 O SER B 68 1719 2822 2070 120 -538 616 O ATOM 2202 CB SER B 68 78.347 30.679 89.706 1.00 19.78 C ANISOU 2202 CB SER B 68 2105 3187 2225 103 -60 591 C ATOM 2203 OG SER B 68 77.747 31.865 90.214 1.00 21.55 O ANISOU 2203 OG SER B 68 2432 3503 2253 -358 121 372 O ATOM 0 H SER B 68 80.256 32.314 89.581 1.00 18.10 H new ATOM 0 HA SER B 68 79.543 30.147 88.139 1.00 18.28 H new ATOM 0 HB2 SER B 68 77.657 30.056 89.431 1.00 19.78 H new ATOM 0 HB3 SER B 68 78.858 30.245 90.407 1.00 19.78 H new ATOM 0 HG SER B 68 78.267 32.229 90.764 1.00 21.55 H new ATOM 2204 N LEU B 69 77.928 31.066 86.490 1.00 19.72 N ANISOU 2204 N LEU B 69 2119 3259 2114 201 -324 550 N ATOM 2205 CA LEU B 69 77.219 31.687 85.395 1.00 18.25 C ANISOU 2205 CA LEU B 69 1855 3014 2064 113 -131 573 C ATOM 2206 C LEU B 69 76.104 30.798 84.866 1.00 16.20 C ANISOU 2206 C LEU B 69 1538 2711 1907 114 -67 582 C ATOM 2207 O LEU B 69 76.344 29.631 84.579 1.00 16.60 O ANISOU 2207 O LEU B 69 1596 2730 1982 119 -215 605 O ATOM 2208 CB LEU B 69 78.232 31.976 84.277 1.00 19.69 C ANISOU 2208 CB LEU B 69 1997 3238 2247 195 -58 570 C ATOM 2209 CG LEU B 69 77.779 32.808 83.106 1.00 19.96 C ANISOU 2209 CG LEU B 69 1927 3150 2506 265 19 537 C ATOM 2210 CD1 LEU B 69 77.289 34.169 83.559 1.00 23.39 C ANISOU 2210 CD1 LEU B 69 2847 3339 2703 428 171 303 C ATOM 2211 CD2 LEU B 69 78.966 32.977 82.157 1.00 18.75 C ANISOU 2211 CD2 LEU B 69 1669 3062 2393 70 -60 769 C ATOM 0 H LEU B 69 77.934 30.206 86.467 1.00 19.72 H new ATOM 0 HA LEU B 69 76.806 32.506 85.710 1.00 18.25 H new ATOM 0 HB2 LEU B 69 78.997 32.418 84.677 1.00 19.69 H new ATOM 0 HB3 LEU B 69 78.545 31.125 83.933 1.00 19.69 H new ATOM 0 HG LEU B 69 77.042 32.362 82.660 1.00 19.96 H new ATOM 0 HD11 LEU B 69 77.004 34.684 82.788 1.00 23.39 H new ATOM 0 HD12 LEU B 69 76.542 34.058 84.167 1.00 23.39 H new ATOM 0 HD13 LEU B 69 78.007 34.637 84.012 1.00 23.39 H new ATOM 0 HD21 LEU B 69 78.697 33.511 81.393 1.00 18.75 H new ATOM 0 HD22 LEU B 69 79.692 33.422 82.622 1.00 18.75 H new ATOM 0 HD23 LEU B 69 79.264 32.105 81.853 1.00 18.75 H new ATOM 2212 N PHE B 70 74.906 31.366 84.691 1.00 14.45 N ANISOU 2212 N PHE B 70 1373 2394 1725 69 48 532 N ATOM 2213 CA PHE B 70 73.835 30.645 84.011 1.00 14.77 C ANISOU 2213 CA PHE B 70 1516 2451 1645 151 45 490 C ATOM 2214 C PHE B 70 73.445 31.434 82.746 1.00 13.90 C ANISOU 2214 C PHE B 70 1320 2288 1675 142 146 402 C ATOM 2215 O PHE B 70 74.010 32.518 82.477 1.00 13.82 O ANISOU 2215 O PHE B 70 1421 2137 1694 206 151 315 O ATOM 2216 CB PHE B 70 72.652 30.365 84.951 1.00 15.14 C ANISOU 2216 CB PHE B 70 1600 2497 1657 -10 -14 507 C ATOM 2217 CG PHE B 70 71.878 31.597 85.357 1.00 15.22 C ANISOU 2217 CG PHE B 70 1543 2561 1680 -36 75 448 C ATOM 2218 CD1 PHE B 70 72.259 32.360 86.440 1.00 17.30 C ANISOU 2218 CD1 PHE B 70 1887 2848 1839 14 92 403 C ATOM 2219 CD2 PHE B 70 70.778 32.000 84.628 1.00 14.42 C ANISOU 2219 CD2 PHE B 70 1444 2463 1573 15 137 401 C ATOM 2220 CE1 PHE B 70 71.538 33.499 86.803 1.00 17.79 C ANISOU 2220 CE1 PHE B 70 1951 2936 1874 -4 52 337 C ATOM 2221 CE2 PHE B 70 70.059 33.150 84.974 1.00 15.31 C ANISOU 2221 CE2 PHE B 70 1643 2502 1672 97 150 323 C ATOM 2222 CZ PHE B 70 70.449 33.903 86.047 1.00 16.47 C ANISOU 2222 CZ PHE B 70 1828 2617 1811 48 87 233 C ATOM 0 H PHE B 70 74.699 32.157 84.956 1.00 14.45 H new ATOM 0 HA PHE B 70 74.143 29.767 83.737 1.00 14.77 H new ATOM 0 HB2 PHE B 70 72.047 29.744 84.516 1.00 15.14 H new ATOM 0 HB3 PHE B 70 72.984 29.926 85.750 1.00 15.14 H new ATOM 0 HD1 PHE B 70 73.006 32.113 86.935 1.00 17.30 H new ATOM 0 HD2 PHE B 70 70.509 31.498 83.893 1.00 14.42 H new ATOM 0 HE1 PHE B 70 71.789 33.988 87.554 1.00 17.79 H new ATOM 0 HE2 PHE B 70 69.316 33.402 84.474 1.00 15.31 H new ATOM 0 HZ PHE B 70 69.987 34.680 86.267 1.00 16.47 H new ATOM 2223 N GLU B 71 72.534 30.829 81.978 1.00 13.78 N ANISOU 2223 N GLU B 71 1379 2152 1704 -33 180 394 N ATOM 2224 CA GLU B 71 72.156 31.214 80.602 1.00 14.21 C ANISOU 2224 CA GLU B 71 1434 2253 1714 -31 67 375 C ATOM 2225 C GLU B 71 73.190 30.741 79.586 1.00 14.12 C ANISOU 2225 C GLU B 71 1488 2133 1743 56 86 378 C ATOM 2226 O GLU B 71 74.328 31.236 79.544 1.00 14.49 O ANISOU 2226 O GLU B 71 1474 2239 1793 -70 154 331 O ATOM 2227 CB GLU B 71 71.948 32.731 80.448 1.00 14.44 C ANISOU 2227 CB GLU B 71 1469 2279 1740 35 31 316 C ATOM 2228 CG GLU B 71 70.665 33.212 81.114 1.00 15.34 C ANISOU 2228 CG GLU B 71 1659 2342 1828 -12 165 266 C ATOM 2229 CD GLU B 71 69.399 32.597 80.512 1.00 16.75 C ANISOU 2229 CD GLU B 71 1811 2602 1953 26 209 300 C ATOM 2230 OE1 GLU B 71 69.332 32.428 79.264 1.00 16.80 O ANISOU 2230 OE1 GLU B 71 1844 2479 2061 -33 249 182 O ATOM 2231 OE2 GLU B 71 68.458 32.279 81.272 1.00 17.81 O ANISOU 2231 OE2 GLU B 71 2028 2753 1987 76 174 528 O ATOM 0 H GLU B 71 72.093 30.145 82.257 1.00 13.78 H new ATOM 0 HA GLU B 71 71.309 30.774 80.427 1.00 14.21 H new ATOM 0 HB2 GLU B 71 72.705 33.199 80.834 1.00 14.44 H new ATOM 0 HB3 GLU B 71 71.925 32.958 79.505 1.00 14.44 H new ATOM 0 HG2 GLU B 71 70.701 33.000 82.060 1.00 15.34 H new ATOM 0 HG3 GLU B 71 70.613 34.178 81.041 1.00 15.34 H new ATOM 2232 N SER B 72 72.781 29.776 78.770 1.00 12.86 N ANISOU 2232 N SER B 72 1252 1919 1716 -52 88 397 N ATOM 2233 CA SER B 72 73.640 29.170 77.766 1.00 12.28 C ANISOU 2233 CA SER B 72 1129 1827 1711 80 115 357 C ATOM 2234 C SER B 72 74.282 30.229 76.877 1.00 12.29 C ANISOU 2234 C SER B 72 1176 1842 1653 165 111 350 C ATOM 2235 O SER B 72 75.425 30.097 76.508 1.00 12.24 O ANISOU 2235 O SER B 72 1204 1908 1537 325 159 363 O ATOM 2236 CB SER B 72 72.859 28.147 76.895 1.00 14.07 C ANISOU 2236 CB SER B 72 1624 1932 1791 202 142 280 C ATOM 2237 OG SER B 72 71.792 28.786 76.157 1.00 14.55 O ANISOU 2237 OG SER B 72 1639 2022 1868 180 124 171 O ATOM 0 H SER B 72 71.985 29.452 78.786 1.00 12.86 H new ATOM 0 HA SER B 72 74.342 28.697 78.239 1.00 12.28 H new ATOM 0 HB2 SER B 72 73.468 27.715 76.276 1.00 14.07 H new ATOM 0 HB3 SER B 72 72.491 27.452 77.462 1.00 14.07 H new ATOM 0 HG SER B 72 71.297 29.207 76.689 1.00 14.55 H new ATOM 2238 N GLY B 73 73.546 31.296 76.546 1.00 13.39 N ANISOU 2238 N GLY B 73 1412 1954 1723 319 81 337 N ATOM 2239 CA GLY B 73 74.130 32.305 75.694 1.00 13.93 C ANISOU 2239 CA GLY B 73 1437 2097 1758 280 104 350 C ATOM 2240 C GLY B 73 75.217 33.119 76.373 1.00 12.95 C ANISOU 2240 C GLY B 73 1170 2025 1725 253 124 408 C ATOM 2241 O GLY B 73 76.237 33.430 75.772 1.00 11.90 O ANISOU 2241 O GLY B 73 1104 1801 1616 322 137 540 O ATOM 0 H GLY B 73 72.737 31.442 76.799 1.00 13.39 H new ATOM 0 HA2 GLY B 73 74.501 31.877 74.906 1.00 13.93 H new ATOM 0 HA3 GLY B 73 73.431 32.904 75.389 1.00 13.93 H new ATOM 2242 N ALA B 74 75.014 33.442 77.653 1.00 13.03 N ANISOU 2242 N ALA B 74 1159 2023 1770 213 102 308 N ATOM 2243 CA ALA B 74 76.046 34.159 78.411 1.00 12.99 C ANISOU 2243 CA ALA B 74 1139 1997 1799 136 89 306 C ATOM 2244 C ALA B 74 77.254 33.252 78.628 1.00 12.54 C ANISOU 2244 C ALA B 74 966 2025 1775 129 77 419 C ATOM 2245 O ALA B 74 78.378 33.723 78.629 1.00 12.20 O ANISOU 2245 O ALA B 74 860 2066 1708 160 93 488 O ATOM 2246 CB ALA B 74 75.487 34.616 79.761 1.00 14.79 C ANISOU 2246 CB ALA B 74 1548 2234 1836 -102 145 240 C ATOM 0 H ALA B 74 74.299 33.259 78.095 1.00 13.03 H new ATOM 0 HA ALA B 74 76.322 34.940 77.906 1.00 12.99 H new ATOM 0 HB1 ALA B 74 76.176 35.088 80.254 1.00 14.79 H new ATOM 0 HB2 ALA B 74 74.732 35.207 79.615 1.00 14.79 H new ATOM 0 HB3 ALA B 74 75.198 33.843 80.270 1.00 14.79 H new ATOM 2247 N ILE B 75 77.001 31.969 78.852 1.00 13.12 N ANISOU 2247 N ILE B 75 1131 2031 1824 270 122 433 N ATOM 2248 CA ILE B 75 78.124 31.012 79.028 1.00 13.42 C ANISOU 2248 CA ILE B 75 1107 2119 1872 210 158 486 C ATOM 2249 C ILE B 75 78.968 30.916 77.749 1.00 13.92 C ANISOU 2249 C ILE B 75 1130 2235 1925 195 208 483 C ATOM 2250 O ILE B 75 80.196 30.974 77.795 1.00 14.41 O ANISOU 2250 O ILE B 75 1188 2333 1954 356 248 567 O ATOM 2251 CB ILE B 75 77.587 29.644 79.402 1.00 13.59 C ANISOU 2251 CB ILE B 75 1266 2025 1871 307 117 529 C ATOM 2252 CG1 ILE B 75 76.928 29.722 80.771 1.00 13.28 C ANISOU 2252 CG1 ILE B 75 1237 2016 1793 352 130 538 C ATOM 2253 CG2 ILE B 75 78.733 28.637 79.421 1.00 14.45 C ANISOU 2253 CG2 ILE B 75 1370 2198 1921 429 53 524 C ATOM 2254 CD1 ILE B 75 76.026 28.542 81.097 1.00 13.81 C ANISOU 2254 CD1 ILE B 75 1305 2185 1757 162 133 477 C ATOM 0 H ILE B 75 76.214 31.626 78.907 1.00 13.12 H new ATOM 0 HA ILE B 75 78.693 31.337 79.743 1.00 13.42 H new ATOM 0 HB ILE B 75 76.929 29.357 78.750 1.00 13.59 H new ATOM 0 HG12 ILE B 75 77.619 29.784 81.448 1.00 13.28 H new ATOM 0 HG13 ILE B 75 76.407 30.538 80.822 1.00 13.28 H new ATOM 0 HG21 ILE B 75 78.391 27.761 79.660 1.00 14.45 H new ATOM 0 HG22 ILE B 75 79.142 28.595 78.542 1.00 14.45 H new ATOM 0 HG23 ILE B 75 79.396 28.913 80.073 1.00 14.45 H new ATOM 0 HD11 ILE B 75 75.644 28.661 81.980 1.00 13.81 H new ATOM 0 HD12 ILE B 75 75.313 28.488 80.441 1.00 13.81 H new ATOM 0 HD13 ILE B 75 76.545 27.723 81.078 1.00 13.81 H new ATOM 2255 N LEU B 76 78.304 30.804 76.601 1.00 14.46 N ANISOU 2255 N LEU B 76 1293 2237 1966 127 232 397 N ATOM 2256 CA LEU B 76 79.021 30.744 75.332 1.00 14.46 C ANISOU 2256 CA LEU B 76 1392 2104 1998 217 307 463 C ATOM 2257 C LEU B 76 79.873 32.000 75.125 1.00 14.98 C ANISOU 2257 C LEU B 76 1321 2314 2058 260 266 496 C ATOM 2258 O LEU B 76 81.013 31.941 74.725 1.00 15.19 O ANISOU 2258 O LEU B 76 1210 2451 2111 290 199 545 O ATOM 2259 CB LEU B 76 78.029 30.556 74.180 1.00 14.33 C ANISOU 2259 CB LEU B 76 1240 2160 2044 382 399 467 C ATOM 2260 CG LEU B 76 77.438 29.157 74.110 1.00 14.54 C ANISOU 2260 CG LEU B 76 1353 1990 2180 441 343 391 C ATOM 2261 CD1 LEU B 76 76.298 29.110 73.094 1.00 15.79 C ANISOU 2261 CD1 LEU B 76 1688 2125 2185 348 237 303 C ATOM 2262 CD2 LEU B 76 78.522 28.119 73.728 1.00 15.06 C ANISOU 2262 CD2 LEU B 76 1503 1979 2239 637 318 386 C ATOM 0 H LEU B 76 77.448 30.762 76.536 1.00 14.46 H new ATOM 0 HA LEU B 76 79.622 29.983 75.350 1.00 14.46 H new ATOM 0 HB2 LEU B 76 77.309 31.199 74.275 1.00 14.33 H new ATOM 0 HB3 LEU B 76 78.476 30.753 73.342 1.00 14.33 H new ATOM 0 HG LEU B 76 77.091 28.935 74.988 1.00 14.54 H new ATOM 0 HD11 LEU B 76 75.931 28.213 73.060 1.00 15.79 H new ATOM 0 HD12 LEU B 76 75.603 29.733 73.358 1.00 15.79 H new ATOM 0 HD13 LEU B 76 76.635 29.354 72.218 1.00 15.79 H new ATOM 0 HD21 LEU B 76 78.124 27.235 73.689 1.00 15.06 H new ATOM 0 HD22 LEU B 76 78.895 28.344 72.861 1.00 15.06 H new ATOM 0 HD23 LEU B 76 79.227 28.127 74.394 1.00 15.06 H new ATOM 2263 N LEU B 77 79.265 33.157 75.403 1.00 14.72 N ANISOU 2263 N LEU B 77 1301 2202 2091 232 297 425 N ATOM 2264 CA LEU B 77 79.940 34.424 75.181 1.00 15.01 C ANISOU 2264 CA LEU B 77 1193 2341 2171 143 273 482 C ATOM 2265 C LEU B 77 81.105 34.552 76.130 1.00 16.00 C ANISOU 2265 C LEU B 77 1275 2582 2224 107 287 614 C ATOM 2266 O LEU B 77 82.210 34.956 75.755 1.00 17.79 O ANISOU 2266 O LEU B 77 1470 2972 2316 71 376 724 O ATOM 2267 CB LEU B 77 78.955 35.601 75.358 1.00 14.80 C ANISOU 2267 CB LEU B 77 1099 2300 2224 128 224 439 C ATOM 2268 CG LEU B 77 79.523 37.020 75.224 1.00 16.02 C ANISOU 2268 CG LEU B 77 1363 2398 2326 139 230 424 C ATOM 2269 CD1 LEU B 77 80.322 37.176 73.934 1.00 17.16 C ANISOU 2269 CD1 LEU B 77 1503 2601 2415 20 301 391 C ATOM 2270 CD2 LEU B 77 78.379 38.049 75.236 1.00 16.45 C ANISOU 2270 CD2 LEU B 77 1321 2569 2360 279 150 441 C ATOM 0 H LEU B 77 78.468 33.223 75.718 1.00 14.72 H new ATOM 0 HA LEU B 77 80.275 34.450 74.271 1.00 15.01 H new ATOM 0 HB2 LEU B 77 78.245 35.499 74.705 1.00 14.80 H new ATOM 0 HB3 LEU B 77 78.548 35.522 76.235 1.00 14.80 H new ATOM 0 HG LEU B 77 80.115 37.174 75.977 1.00 16.02 H new ATOM 0 HD11 LEU B 77 80.669 38.080 73.875 1.00 17.16 H new ATOM 0 HD12 LEU B 77 81.060 36.546 73.932 1.00 17.16 H new ATOM 0 HD13 LEU B 77 79.746 37.001 73.173 1.00 17.16 H new ATOM 0 HD21 LEU B 77 78.746 38.943 75.151 1.00 16.45 H new ATOM 0 HD22 LEU B 77 77.779 37.875 74.494 1.00 16.45 H new ATOM 0 HD23 LEU B 77 77.890 37.979 76.071 1.00 16.45 H new ATOM 2271 N TYR B 78 80.861 34.224 77.397 1.00 14.36 N ANISOU 2271 N TYR B 78 1035 2280 2142 16 190 577 N ATOM 2272 CA TYR B 78 81.910 34.250 78.416 1.00 14.49 C ANISOU 2272 CA TYR B 78 981 2386 2140 144 148 633 C ATOM 2273 C TYR B 78 83.105 33.362 78.049 1.00 14.81 C ANISOU 2273 C TYR B 78 933 2592 2104 202 140 744 C ATOM 2274 O TYR B 78 84.281 33.788 78.117 1.00 16.03 O ANISOU 2274 O TYR B 78 995 2971 2125 114 34 806 O ATOM 2275 CB TYR B 78 81.327 33.805 79.762 1.00 15.23 C ANISOU 2275 CB TYR B 78 1144 2433 2210 126 47 588 C ATOM 2276 CG TYR B 78 82.345 33.602 80.864 1.00 16.76 C ANISOU 2276 CG TYR B 78 1228 2764 2375 17 -116 570 C ATOM 2277 CD1 TYR B 78 82.845 34.691 81.592 1.00 17.42 C ANISOU 2277 CD1 TYR B 78 1303 2917 2397 72 -197 451 C ATOM 2278 CD2 TYR B 78 82.855 32.333 81.152 1.00 18.34 C ANISOU 2278 CD2 TYR B 78 1517 2919 2532 -35 -161 718 C ATOM 2279 CE1 TYR B 78 83.794 34.521 82.583 1.00 18.15 C ANISOU 2279 CE1 TYR B 78 1423 2961 2513 -20 -246 497 C ATOM 2280 CE2 TYR B 78 83.789 32.143 82.173 1.00 18.76 C ANISOU 2280 CE2 TYR B 78 1334 3160 2634 -16 -152 772 C ATOM 2281 CZ TYR B 78 84.268 33.243 82.881 1.00 19.74 C ANISOU 2281 CZ TYR B 78 1565 3270 2667 39 -271 693 C ATOM 2282 OH TYR B 78 85.201 33.071 83.873 1.00 21.12 O ANISOU 2282 OH TYR B 78 1687 3556 2783 -207 -421 810 O ATOM 0 H TYR B 78 80.089 33.982 77.689 1.00 14.36 H new ATOM 0 HA TYR B 78 82.237 35.161 78.475 1.00 14.49 H new ATOM 0 HB2 TYR B 78 80.681 34.467 80.054 1.00 15.23 H new ATOM 0 HB3 TYR B 78 80.842 32.975 79.631 1.00 15.23 H new ATOM 0 HD1 TYR B 78 82.532 35.546 81.404 1.00 17.42 H new ATOM 0 HD2 TYR B 78 82.567 31.602 80.655 1.00 18.34 H new ATOM 0 HE1 TYR B 78 84.116 35.258 83.050 1.00 18.15 H new ATOM 0 HE2 TYR B 78 84.089 31.287 82.379 1.00 18.76 H new ATOM 0 HH TYR B 78 85.664 32.390 83.708 1.00 21.12 H new ATOM 2283 N LEU B 79 82.820 32.148 77.643 1.00 14.95 N ANISOU 2283 N LEU B 79 1011 2535 2133 308 213 708 N ATOM 2284 CA LEU B 79 83.911 31.207 77.325 1.00 15.63 C ANISOU 2284 CA LEU B 79 969 2744 2226 338 310 706 C ATOM 2285 C LEU B 79 84.608 31.627 76.021 1.00 16.43 C ANISOU 2285 C LEU B 79 1082 2839 2323 281 359 767 C ATOM 2286 O LEU B 79 85.799 31.447 75.894 1.00 16.68 O ANISOU 2286 O LEU B 79 1108 2931 2297 182 418 945 O ATOM 2287 CB LEU B 79 83.391 29.785 77.221 1.00 16.88 C ANISOU 2287 CB LEU B 79 1206 2807 2399 456 404 738 C ATOM 2288 CG LEU B 79 82.905 29.142 78.529 1.00 19.24 C ANISOU 2288 CG LEU B 79 1614 3060 2637 425 511 681 C ATOM 2289 CD1 LEU B 79 82.239 27.796 78.257 1.00 20.43 C ANISOU 2289 CD1 LEU B 79 2130 2951 2683 557 814 540 C ATOM 2290 CD2 LEU B 79 84.022 28.985 79.519 1.00 19.96 C ANISOU 2290 CD2 LEU B 79 1777 3116 2691 665 311 723 C ATOM 0 H LEU B 79 82.025 31.837 77.541 1.00 14.95 H new ATOM 0 HA LEU B 79 84.558 31.234 78.047 1.00 15.63 H new ATOM 0 HB2 LEU B 79 82.658 29.774 76.586 1.00 16.88 H new ATOM 0 HB3 LEU B 79 84.095 29.229 76.852 1.00 16.88 H new ATOM 0 HG LEU B 79 82.248 29.740 78.918 1.00 19.24 H new ATOM 0 HD11 LEU B 79 81.940 27.408 79.094 1.00 20.43 H new ATOM 0 HD12 LEU B 79 81.477 27.924 77.670 1.00 20.43 H new ATOM 0 HD13 LEU B 79 82.876 27.199 77.834 1.00 20.43 H new ATOM 0 HD21 LEU B 79 83.681 28.577 80.330 1.00 19.96 H new ATOM 0 HD22 LEU B 79 84.714 28.420 79.140 1.00 19.96 H new ATOM 0 HD23 LEU B 79 84.395 29.856 79.727 1.00 19.96 H new ATOM 2291 N ALA B 80 83.857 32.211 75.087 1.00 16.74 N ANISOU 2291 N ALA B 80 1138 2812 2411 235 349 738 N ATOM 2292 CA ALA B 80 84.441 32.666 73.826 1.00 17.11 C ANISOU 2292 CA ALA B 80 1314 2704 2484 243 317 768 C ATOM 2293 C ALA B 80 85.387 33.826 74.103 1.00 18.40 C ANISOU 2293 C ALA B 80 1201 3066 2724 191 246 814 C ATOM 2294 O ALA B 80 86.469 33.871 73.547 1.00 19.08 O ANISOU 2294 O ALA B 80 1249 3315 2687 281 344 883 O ATOM 2295 CB ALA B 80 83.356 33.078 72.842 1.00 17.40 C ANISOU 2295 CB ALA B 80 1528 2718 2367 -14 348 665 C ATOM 0 H ALA B 80 83.012 32.352 75.164 1.00 16.74 H new ATOM 0 HA ALA B 80 84.938 31.936 73.424 1.00 17.11 H new ATOM 0 HB1 ALA B 80 83.765 33.376 72.015 1.00 17.40 H new ATOM 0 HB2 ALA B 80 82.778 32.320 72.662 1.00 17.40 H new ATOM 0 HB3 ALA B 80 82.832 33.801 73.221 1.00 17.40 H new ATOM 2296 N GLU B 81 84.975 34.747 74.978 1.00 21.34 N ANISOU 2296 N GLU B 81 1643 3402 3063 134 124 721 N ATOM 2297 CA GLU B 81 85.827 35.892 75.323 1.00 22.70 C ANISOU 2297 CA GLU B 81 1710 3668 3248 -87 172 772 C ATOM 2298 C GLU B 81 87.042 35.418 76.090 1.00 22.49 C ANISOU 2298 C GLU B 81 1715 3591 3238 1 224 884 C ATOM 2299 O GLU B 81 88.159 35.889 75.865 1.00 23.38 O ANISOU 2299 O GLU B 81 1643 3946 3293 53 256 936 O ATOM 2300 CB GLU B 81 85.061 36.963 76.129 1.00 24.72 C ANISOU 2300 CB GLU B 81 2144 3826 3423 -64 187 699 C ATOM 2301 CG GLU B 81 83.937 37.664 75.350 1.00 26.09 C ANISOU 2301 CG GLU B 81 2402 3936 3574 -57 130 618 C ATOM 2302 CD GLU B 81 83.404 38.934 76.023 1.00 28.80 C ANISOU 2302 CD GLU B 81 3311 3971 3659 32 85 654 C ATOM 2303 OE1 GLU B 81 83.234 38.978 77.275 1.00 29.30 O ANISOU 2303 OE1 GLU B 81 3192 4167 3775 37 246 656 O ATOM 2304 OE2 GLU B 81 83.152 39.909 75.295 1.00 30.17 O ANISOU 2304 OE2 GLU B 81 3605 4150 3708 -68 -50 753 O ATOM 0 H GLU B 81 84.215 34.729 75.380 1.00 21.34 H new ATOM 0 HA GLU B 81 86.112 36.309 74.495 1.00 22.70 H new ATOM 0 HB2 GLU B 81 84.681 36.547 76.919 1.00 24.72 H new ATOM 0 HB3 GLU B 81 85.692 37.632 76.437 1.00 24.72 H new ATOM 0 HG2 GLU B 81 84.263 37.891 74.465 1.00 26.09 H new ATOM 0 HG3 GLU B 81 83.203 37.041 75.230 1.00 26.09 H new ATOM 2305 N LYS B 82 86.838 34.469 76.994 1.00 21.52 N ANISOU 2305 N LYS B 82 1387 3611 3179 60 216 881 N ATOM 2306 CA LYS B 82 87.948 33.967 77.792 1.00 22.23 C ANISOU 2306 CA LYS B 82 1510 3742 3194 196 152 913 C ATOM 2307 C LYS B 82 89.006 33.270 76.954 1.00 21.87 C ANISOU 2307 C LYS B 82 1383 3709 3216 202 165 968 C ATOM 2308 O LYS B 82 90.209 33.512 77.130 1.00 22.79 O ANISOU 2308 O LYS B 82 1381 3918 3362 -50 -2 1016 O ATOM 2309 CB LYS B 82 87.433 33.010 78.868 1.00 22.42 C ANISOU 2309 CB LYS B 82 1643 3621 3255 344 -25 948 C ATOM 2310 CG LYS B 82 88.554 32.546 79.798 1.00 24.58 C ANISOU 2310 CG LYS B 82 1849 4143 3347 336 -221 977 C ATOM 2311 CD LYS B 82 88.002 31.690 80.910 1.00 25.77 C ANISOU 2311 CD LYS B 82 1942 4364 3485 156 -270 1055 C ATOM 2312 CE LYS B 82 89.078 31.501 81.979 1.00 27.15 C ANISOU 2312 CE LYS B 82 2187 4540 3587 212 -272 1211 C ATOM 2313 NZ LYS B 82 88.729 30.354 82.815 1.00 27.40 N ANISOU 2313 NZ LYS B 82 2507 4255 3648 282 -299 1192 N ATOM 0 H LYS B 82 86.076 34.106 77.160 1.00 21.52 H new ATOM 0 HA LYS B 82 88.367 34.738 78.205 1.00 22.23 H new ATOM 0 HB2 LYS B 82 86.742 33.450 79.388 1.00 22.42 H new ATOM 0 HB3 LYS B 82 87.023 32.239 78.446 1.00 22.42 H new ATOM 0 HG2 LYS B 82 89.213 32.044 79.293 1.00 24.58 H new ATOM 0 HG3 LYS B 82 89.010 33.316 80.172 1.00 24.58 H new ATOM 0 HD2 LYS B 82 87.217 32.109 81.296 1.00 25.77 H new ATOM 0 HD3 LYS B 82 87.722 30.829 80.562 1.00 25.77 H new ATOM 0 HE2 LYS B 82 89.942 31.360 81.562 1.00 27.15 H new ATOM 0 HE3 LYS B 82 89.153 32.301 82.523 1.00 27.15 H new ATOM 0 HZ1 LYS B 82 89.230 30.359 83.551 1.00 27.40 H new ATOM 0 HZ2 LYS B 82 87.870 30.402 83.041 1.00 27.40 H new ATOM 0 HZ3 LYS B 82 88.875 29.601 82.363 1.00 27.40 H new ATOM 2314 N THR B 83 88.564 32.410 76.040 1.00 20.58 N ANISOU 2314 N THR B 83 1296 3380 3143 284 314 998 N ATOM 2315 CA THR B 83 89.507 31.589 75.248 1.00 21.34 C ANISOU 2315 CA THR B 83 1358 3632 3117 413 419 968 C ATOM 2316 C THR B 83 89.973 32.269 73.971 1.00 21.29 C ANISOU 2316 C THR B 83 1302 3667 3119 379 388 1016 C ATOM 2317 O THR B 83 90.956 31.874 73.400 1.00 21.13 O ANISOU 2317 O THR B 83 1314 3670 3045 548 453 1051 O ATOM 2318 CB THR B 83 88.863 30.265 74.818 1.00 22.58 C ANISOU 2318 CB THR B 83 1742 3703 3134 674 445 949 C ATOM 2319 OG1 THR B 83 87.669 30.539 74.054 1.00 21.67 O ANISOU 2319 OG1 THR B 83 1624 3554 3056 589 313 824 O ATOM 2320 CG2 THR B 83 88.500 29.441 76.043 1.00 25.53 C ANISOU 2320 CG2 THR B 83 2646 3835 3218 645 506 1123 C ATOM 0 H THR B 83 87.734 32.281 75.858 1.00 20.58 H new ATOM 0 HA THR B 83 90.264 31.449 75.838 1.00 21.34 H new ATOM 0 HB THR B 83 89.493 29.766 74.275 1.00 22.58 H new ATOM 0 HG1 THR B 83 87.057 30.792 74.571 1.00 21.67 H new ATOM 0 HG21 THR B 83 88.094 28.606 75.763 1.00 25.53 H new ATOM 0 HG22 THR B 83 89.301 29.254 76.556 1.00 25.53 H new ATOM 0 HG23 THR B 83 87.873 29.937 76.593 1.00 25.53 H new ATOM 2321 N GLY B 84 89.217 33.262 73.504 1.00 21.99 N ANISOU 2321 N GLY B 84 1571 3515 3269 337 270 1059 N ATOM 2322 CA GLY B 84 89.476 33.862 72.193 1.00 23.43 C ANISOU 2322 CA GLY B 84 1830 3734 3337 452 284 1080 C ATOM 2323 C GLY B 84 88.976 33.011 71.044 1.00 23.67 C ANISOU 2323 C GLY B 84 1903 3785 3305 566 524 1049 C ATOM 2324 O GLY B 84 89.282 33.307 69.892 1.00 26.15 O ANISOU 2324 O GLY B 84 2360 4134 3443 278 822 945 O ATOM 0 H GLY B 84 88.551 33.603 73.928 1.00 21.99 H new ATOM 0 HA2 GLY B 84 89.052 34.733 72.152 1.00 23.43 H new ATOM 0 HA3 GLY B 84 90.430 34.006 72.091 1.00 23.43 H new ATOM 2325 N LEU B 85 88.174 31.985 71.340 1.00 21.95 N ANISOU 2325 N LEU B 85 1620 3528 3191 706 429 1075 N ATOM 2326 CA LEU B 85 87.738 31.023 70.324 1.00 22.91 C ANISOU 2326 CA LEU B 85 1891 3688 3126 829 427 873 C ATOM 2327 C LEU B 85 86.252 31.139 69.992 1.00 22.20 C ANISOU 2327 C LEU B 85 1809 3788 2838 424 585 684 C ATOM 2328 O LEU B 85 85.433 31.389 70.869 1.00 22.79 O ANISOU 2328 O LEU B 85 1973 3792 2893 356 580 412 O ATOM 2329 CB LEU B 85 88.032 29.602 70.781 1.00 24.93 C ANISOU 2329 CB LEU B 85 2198 3792 3481 799 390 830 C ATOM 2330 CG LEU B 85 89.501 29.288 71.084 1.00 26.90 C ANISOU 2330 CG LEU B 85 2349 4010 3860 988 684 886 C ATOM 2331 CD1 LEU B 85 89.602 27.856 71.611 1.00 28.59 C ANISOU 2331 CD1 LEU B 85 2832 3997 4032 1114 814 968 C ATOM 2332 CD2 LEU B 85 90.392 29.478 69.875 1.00 29.13 C ANISOU 2332 CD2 LEU B 85 2689 4537 3843 599 909 896 C ATOM 0 H LEU B 85 87.870 31.828 72.129 1.00 21.95 H new ATOM 0 HA LEU B 85 88.238 31.232 69.519 1.00 22.91 H new ATOM 0 HB2 LEU B 85 87.510 29.422 71.578 1.00 24.93 H new ATOM 0 HB3 LEU B 85 87.723 28.989 70.095 1.00 24.93 H new ATOM 0 HG LEU B 85 89.815 29.913 71.756 1.00 26.90 H new ATOM 0 HD11 LEU B 85 90.529 27.647 71.806 1.00 28.59 H new ATOM 0 HD12 LEU B 85 89.075 27.771 72.421 1.00 28.59 H new ATOM 0 HD13 LEU B 85 89.266 27.240 70.941 1.00 28.59 H new ATOM 0 HD21 LEU B 85 91.309 29.269 70.112 1.00 29.13 H new ATOM 0 HD22 LEU B 85 90.100 28.888 69.162 1.00 29.13 H new ATOM 0 HD23 LEU B 85 90.338 30.399 69.575 1.00 29.13 H new ATOM 2333 N PHE B 86 85.924 30.970 68.710 1.00 19.32 N ANISOU 2333 N PHE B 86 1526 3315 2501 656 701 846 N ATOM 2334 CA PHE B 86 84.531 30.886 68.228 1.00 17.64 C ANISOU 2334 CA PHE B 86 1555 2826 2321 666 789 808 C ATOM 2335 C PHE B 86 83.730 32.173 68.399 1.00 16.79 C ANISOU 2335 C PHE B 86 1507 2627 2247 549 703 655 C ATOM 2336 O PHE B 86 82.497 32.159 68.388 1.00 17.55 O ANISOU 2336 O PHE B 86 1654 2775 2238 543 593 449 O ATOM 2337 CB PHE B 86 83.825 29.661 68.827 1.00 17.52 C ANISOU 2337 CB PHE B 86 1614 2744 2299 679 844 763 C ATOM 2338 CG PHE B 86 84.598 28.401 68.599 1.00 18.96 C ANISOU 2338 CG PHE B 86 1844 2889 2472 848 798 724 C ATOM 2339 CD1 PHE B 86 84.790 27.947 67.306 1.00 21.38 C ANISOU 2339 CD1 PHE B 86 2463 3057 2604 990 832 716 C ATOM 2340 CD2 PHE B 86 85.208 27.725 69.632 1.00 19.33 C ANISOU 2340 CD2 PHE B 86 1846 2904 2593 888 701 737 C ATOM 2341 CE1 PHE B 86 85.547 26.832 67.047 1.00 23.13 C ANISOU 2341 CE1 PHE B 86 2697 3370 2721 1193 884 791 C ATOM 2342 CE2 PHE B 86 85.984 26.599 69.374 1.00 21.65 C ANISOU 2342 CE2 PHE B 86 2364 3140 2723 1114 658 735 C ATOM 2343 CZ PHE B 86 86.155 26.149 68.083 1.00 23.16 C ANISOU 2343 CZ PHE B 86 2425 3614 2762 1048 768 786 C ATOM 0 H PHE B 86 86.508 30.899 68.083 1.00 19.32 H new ATOM 0 HA PHE B 86 84.579 30.767 67.267 1.00 17.64 H new ATOM 0 HB2 PHE B 86 83.700 29.795 69.780 1.00 17.52 H new ATOM 0 HB3 PHE B 86 82.942 29.573 68.434 1.00 17.52 H new ATOM 0 HD1 PHE B 86 84.398 28.407 66.599 1.00 21.38 H new ATOM 0 HD2 PHE B 86 85.101 28.022 70.507 1.00 19.33 H new ATOM 0 HE1 PHE B 86 85.651 26.535 66.172 1.00 23.13 H new ATOM 0 HE2 PHE B 86 86.390 26.147 70.078 1.00 21.65 H new ATOM 0 HZ PHE B 86 86.673 25.396 67.911 1.00 23.16 H new ATOM 2344 N LEU B 87 84.447 33.295 68.505 1.00 16.07 N ANISOU 2344 N LEU B 87 1211 2616 2280 524 656 712 N ATOM 2345 CA LEU B 87 83.829 34.621 68.402 1.00 16.81 C ANISOU 2345 CA LEU B 87 1257 2690 2439 333 629 756 C ATOM 2346 C LEU B 87 84.899 35.602 67.935 1.00 18.78 C ANISOU 2346 C LEU B 87 1468 2989 2680 179 697 780 C ATOM 2347 O LEU B 87 85.915 35.799 68.613 1.00 20.20 O ANISOU 2347 O LEU B 87 1509 3360 2807 215 653 720 O ATOM 2348 CB LEU B 87 83.260 35.087 69.738 1.00 17.76 C ANISOU 2348 CB LEU B 87 1400 2901 2447 117 568 728 C ATOM 2349 CG LEU B 87 82.687 36.503 69.749 1.00 18.13 C ANISOU 2349 CG LEU B 87 1436 2963 2489 -46 561 720 C ATOM 2350 CD1 LEU B 87 81.518 36.640 68.782 1.00 16.89 C ANISOU 2350 CD1 LEU B 87 1365 2561 2491 163 531 839 C ATOM 2351 CD2 LEU B 87 82.258 36.940 71.150 1.00 19.64 C ANISOU 2351 CD2 LEU B 87 1570 3372 2522 -245 616 628 C ATOM 0 H LEU B 87 85.297 33.310 68.637 1.00 16.07 H new ATOM 0 HA LEU B 87 83.092 34.577 67.773 1.00 16.81 H new ATOM 0 HB2 LEU B 87 82.562 34.470 70.008 1.00 17.76 H new ATOM 0 HB3 LEU B 87 83.960 35.033 70.407 1.00 17.76 H new ATOM 0 HG LEU B 87 83.403 37.089 69.457 1.00 18.13 H new ATOM 0 HD11 LEU B 87 81.177 37.548 68.812 1.00 16.89 H new ATOM 0 HD12 LEU B 87 81.817 36.437 67.882 1.00 16.89 H new ATOM 0 HD13 LEU B 87 80.814 36.022 69.035 1.00 16.89 H new ATOM 0 HD21 LEU B 87 81.901 37.841 71.113 1.00 19.64 H new ATOM 0 HD22 LEU B 87 81.576 36.336 71.483 1.00 19.64 H new ATOM 0 HD23 LEU B 87 83.024 36.920 71.744 1.00 19.64 H new ATOM 2352 N SER B 88 84.666 36.205 66.779 1.00 18.71 N ANISOU 2352 N SER B 88 1461 2917 2731 215 775 860 N ATOM 2353 CA SER B 88 85.624 37.132 66.215 1.00 19.86 C ANISOU 2353 CA SER B 88 1716 2982 2849 189 733 950 C ATOM 2354 C SER B 88 85.778 38.389 67.065 1.00 21.93 C ANISOU 2354 C SER B 88 1811 3345 3176 65 576 970 C ATOM 2355 O SER B 88 84.846 38.825 67.734 1.00 21.96 O ANISOU 2355 O SER B 88 1900 3451 2992 -94 546 825 O ATOM 2356 CB SER B 88 85.198 37.517 64.799 1.00 20.40 C ANISOU 2356 CB SER B 88 1951 3001 2800 298 761 936 C ATOM 2357 OG SER B 88 86.144 38.420 64.255 1.00 21.59 O ANISOU 2357 OG SER B 88 1886 3480 2838 112 715 970 O ATOM 0 H SER B 88 83.957 36.089 66.306 1.00 18.71 H new ATOM 0 HA SER B 88 86.485 36.685 66.194 1.00 19.86 H new ATOM 0 HB2 SER B 88 85.134 36.725 64.243 1.00 20.40 H new ATOM 0 HB3 SER B 88 84.318 37.925 64.814 1.00 20.40 H new ATOM 0 HG SER B 88 86.905 38.253 64.570 1.00 21.59 H new ATOM 2358 N HIS B 89 86.981 38.963 67.023 1.00 25.22 N ANISOU 2358 N HIS B 89 2123 3870 3590 -43 486 1022 N ATOM 2359 CA HIS B 89 87.212 40.328 67.523 1.00 29.81 C ANISOU 2359 CA HIS B 89 2720 4431 4176 -175 480 1047 C ATOM 2360 C HIS B 89 87.000 41.419 66.464 1.00 29.55 C ANISOU 2360 C HIS B 89 3051 4203 3975 -461 669 1059 C ATOM 2361 O HIS B 89 86.869 42.598 66.799 1.00 32.03 O ANISOU 2361 O HIS B 89 3646 4378 4145 -430 716 1053 O ATOM 2362 CB HIS B 89 88.611 40.445 68.129 1.00 33.08 C ANISOU 2362 CB HIS B 89 3248 4944 4378 -292 426 1266 C ATOM 2363 CG HIS B 89 88.844 39.528 69.289 1.00 37.37 C ANISOU 2363 CG HIS B 89 3343 5847 5009 -492 472 1338 C ATOM 2364 ND1 HIS B 89 90.090 39.327 69.842 1.00 39.43 N ANISOU 2364 ND1 HIS B 89 3445 6243 5292 -659 510 1375 N ATOM 2365 CD2 HIS B 89 87.989 38.755 69.999 1.00 39.36 C ANISOU 2365 CD2 HIS B 89 3459 6203 5292 -565 502 1389 C ATOM 2366 CE1 HIS B 89 89.993 38.472 70.843 1.00 40.66 C ANISOU 2366 CE1 HIS B 89 3493 6534 5422 -707 539 1407 C ATOM 2367 NE2 HIS B 89 88.728 38.109 70.959 1.00 40.55 N ANISOU 2367 NE2 HIS B 89 3491 6496 5421 -659 534 1416 N ATOM 0 H HIS B 89 87.683 38.579 66.707 1.00 25.22 H new ATOM 0 HA HIS B 89 86.542 40.480 68.208 1.00 29.81 H new ATOM 0 HB2 HIS B 89 89.269 40.257 67.442 1.00 33.08 H new ATOM 0 HB3 HIS B 89 88.754 41.360 68.417 1.00 33.08 H new ATOM 0 HD1 HIS B 89 90.818 39.700 69.576 1.00 39.43 H new ATOM 0 HD2 HIS B 89 87.073 38.676 69.862 1.00 39.36 H new ATOM 0 HE1 HIS B 89 90.695 38.176 71.376 1.00 40.66 H new ATOM 2368 N GLU B 90 86.966 41.032 65.192 1.00 26.55 N ANISOU 2368 N GLU B 90 2403 3852 3832 -602 739 1083 N ATOM 2369 CA GLU B 90 86.731 41.997 64.120 1.00 25.19 C ANISOU 2369 CA GLU B 90 2364 3480 3726 -377 703 1041 C ATOM 2370 C GLU B 90 85.272 42.462 64.187 1.00 26.18 C ANISOU 2370 C GLU B 90 2422 3671 3853 -283 709 1009 C ATOM 2371 O GLU B 90 84.336 41.655 64.306 1.00 24.82 O ANISOU 2371 O GLU B 90 2396 3401 3633 -87 795 1045 O ATOM 2372 CB GLU B 90 87.058 41.370 62.776 1.00 27.49 C ANISOU 2372 CB GLU B 90 2787 3721 3937 -357 826 1036 C ATOM 2373 CG GLU B 90 86.962 42.296 61.571 1.00 30.02 C ANISOU 2373 CG GLU B 90 3054 4093 4258 -189 804 1032 C ATOM 2374 CD GLU B 90 85.572 42.352 60.933 1.00 32.32 C ANISOU 2374 CD GLU B 90 3150 4558 4574 -85 814 1074 C ATOM 2375 OE1 GLU B 90 84.948 41.276 60.698 1.00 30.86 O ANISOU 2375 OE1 GLU B 90 3109 4049 4567 -62 1052 983 O ATOM 2376 OE2 GLU B 90 85.106 43.492 60.655 1.00 35.45 O ANISOU 2376 OE2 GLU B 90 3463 4975 5031 -173 640 1327 O ATOM 0 H GLU B 90 87.076 40.221 64.929 1.00 26.55 H new ATOM 0 HA GLU B 90 87.308 42.769 64.228 1.00 25.19 H new ATOM 0 HB2 GLU B 90 87.958 41.012 62.816 1.00 27.49 H new ATOM 0 HB3 GLU B 90 86.460 40.620 62.634 1.00 27.49 H new ATOM 0 HG2 GLU B 90 87.219 43.191 61.842 1.00 30.02 H new ATOM 0 HG3 GLU B 90 87.603 42.008 60.902 1.00 30.02 H new ATOM 2377 N THR B 91 85.059 43.762 64.087 1.00 27.50 N ANISOU 2377 N THR B 91 2484 3620 4345 -712 824 891 N ATOM 2378 CA THR B 91 83.752 44.310 64.460 1.00 30.79 C ANISOU 2378 CA THR B 91 2928 4106 4664 -304 821 800 C ATOM 2379 C THR B 91 82.582 43.798 63.624 1.00 27.14 C ANISOU 2379 C THR B 91 2620 3472 4219 175 784 874 C ATOM 2380 O THR B 91 81.523 43.527 64.194 1.00 26.88 O ANISOU 2380 O THR B 91 2382 3708 4122 -27 760 811 O ATOM 2381 CB THR B 91 83.744 45.846 64.539 1.00 36.84 C ANISOU 2381 CB THR B 91 4289 4467 5241 -14 564 920 C ATOM 2382 OG1 THR B 91 84.694 46.391 63.633 1.00 35.90 O ANISOU 2382 OG1 THR B 91 3736 4561 5345 751 921 1108 O ATOM 2383 CG2 THR B 91 84.108 46.300 65.963 1.00 42.03 C ANISOU 2383 CG2 THR B 91 5697 4525 5747 80 -296 1015 C ATOM 0 H THR B 91 85.636 44.338 63.814 1.00 27.50 H new ATOM 0 HA THR B 91 83.609 43.965 65.355 1.00 30.79 H new ATOM 0 HB THR B 91 82.855 46.159 64.308 1.00 36.84 H new ATOM 0 HG1 THR B 91 84.680 47.229 63.683 1.00 35.90 H new ATOM 0 HG21 THR B 91 84.101 47.269 66.006 1.00 42.03 H new ATOM 0 HG22 THR B 91 83.460 45.944 66.592 1.00 42.03 H new ATOM 0 HG23 THR B 91 84.992 45.973 66.191 1.00 42.03 H new ATOM 2384 N ARG B 92 82.764 43.617 62.320 1.00 25.18 N ANISOU 2384 N ARG B 92 2400 3265 3903 -21 819 1058 N ATOM 2385 CA ARG B 92 81.646 43.138 61.483 1.00 26.49 C ANISOU 2385 CA ARG B 92 2707 3523 3836 211 893 982 C ATOM 2386 C ARG B 92 81.235 41.706 61.804 1.00 23.36 C ANISOU 2386 C ARG B 92 2327 3360 3189 227 864 961 C ATOM 2387 O ARG B 92 80.063 41.420 61.993 1.00 21.57 O ANISOU 2387 O ARG B 92 2089 3002 3104 315 710 1154 O ATOM 2388 CB ARG B 92 81.981 43.179 60.013 1.00 34.54 C ANISOU 2388 CB ARG B 92 3824 4537 4763 8 906 1007 C ATOM 2389 CG ARG B 92 82.492 44.509 59.550 1.00 39.20 C ANISOU 2389 CG ARG B 92 4717 4894 5283 -9 675 1177 C ATOM 2390 CD ARG B 92 81.407 45.292 58.919 1.00 37.94 C ANISOU 2390 CD ARG B 92 4174 4879 5361 -79 442 968 C ATOM 2391 NE ARG B 92 81.780 46.693 58.880 1.00 35.04 N ANISOU 2391 NE ARG B 92 4024 4609 4679 71 629 964 N ATOM 2392 CZ ARG B 92 80.982 47.648 58.454 1.00 27.13 C ANISOU 2392 CZ ARG B 92 3046 3559 3703 -139 861 983 C ATOM 2393 NH1 ARG B 92 79.761 47.344 58.034 1.00 24.55 N ANISOU 2393 NH1 ARG B 92 3104 3001 3222 -190 885 960 N ATOM 2394 NH2 ARG B 92 81.415 48.891 58.444 1.00 25.09 N ANISOU 2394 NH2 ARG B 92 2813 3353 3367 -283 899 1063 N ATOM 0 H ARG B 92 83.502 43.759 61.902 1.00 25.18 H new ATOM 0 HA ARG B 92 80.916 43.743 61.686 1.00 26.49 H new ATOM 0 HB2 ARG B 92 82.648 42.501 59.822 1.00 34.54 H new ATOM 0 HB3 ARG B 92 81.189 42.950 59.502 1.00 34.54 H new ATOM 0 HG2 ARG B 92 82.857 45.001 60.302 1.00 39.20 H new ATOM 0 HG3 ARG B 92 83.216 44.381 58.917 1.00 39.20 H new ATOM 0 HD2 ARG B 92 81.241 44.967 58.020 1.00 37.94 H new ATOM 0 HD3 ARG B 92 80.583 45.181 59.418 1.00 37.94 H new ATOM 0 HE ARG B 92 82.567 46.912 59.150 1.00 35.04 H new ATOM 0 HH11 ARG B 92 79.495 46.526 58.041 1.00 24.55 H new ATOM 0 HH12 ARG B 92 79.235 47.965 57.755 1.00 24.55 H new ATOM 0 HH21 ARG B 92 82.211 49.071 58.714 1.00 25.09 H new ATOM 0 HH22 ARG B 92 80.901 49.523 58.167 1.00 25.09 H new ATOM 2395 N GLU B 93 82.219 40.804 61.827 1.00 21.80 N ANISOU 2395 N GLU B 93 2246 3185 2852 221 926 789 N ATOM 2396 CA GLU B 93 81.945 39.407 62.062 1.00 20.37 C ANISOU 2396 CA GLU B 93 2091 3098 2550 275 852 738 C ATOM 2397 C GLU B 93 81.426 39.201 63.496 1.00 18.46 C ANISOU 2397 C GLU B 93 1845 2737 2431 224 678 763 C ATOM 2398 O GLU B 93 80.510 38.413 63.751 1.00 18.29 O ANISOU 2398 O GLU B 93 1821 2667 2463 187 633 725 O ATOM 2399 CB GLU B 93 83.199 38.563 61.813 1.00 20.67 C ANISOU 2399 CB GLU B 93 2069 3195 2589 299 915 643 C ATOM 2400 CG GLU B 93 82.942 37.068 62.048 1.00 22.38 C ANISOU 2400 CG GLU B 93 2220 3313 2972 429 908 599 C ATOM 2401 CD GLU B 93 84.143 36.183 61.739 1.00 26.97 C ANISOU 2401 CD GLU B 93 2648 3996 3605 632 1130 661 C ATOM 2402 OE1 GLU B 93 85.111 36.692 61.151 1.00 30.10 O ANISOU 2402 OE1 GLU B 93 3151 4549 3738 423 1444 824 O ATOM 2403 OE2 GLU B 93 84.135 34.987 62.124 1.00 29.65 O ANISOU 2403 OE2 GLU B 93 3206 4003 4058 879 1064 606 O ATOM 0 H GLU B 93 83.050 40.991 61.707 1.00 21.80 H new ATOM 0 HA GLU B 93 81.258 39.117 61.441 1.00 20.37 H new ATOM 0 HB2 GLU B 93 83.504 38.699 60.902 1.00 20.67 H new ATOM 0 HB3 GLU B 93 83.912 38.864 62.398 1.00 20.67 H new ATOM 0 HG2 GLU B 93 82.682 36.934 62.973 1.00 22.38 H new ATOM 0 HG3 GLU B 93 82.193 36.787 61.499 1.00 22.38 H new ATOM 2404 N ARG B 94 81.996 39.944 64.423 1.00 17.44 N ANISOU 2404 N ARG B 94 1650 2520 2458 261 609 779 N ATOM 2405 CA ARG B 94 81.549 39.896 65.813 1.00 16.44 C ANISOU 2405 CA ARG B 94 1509 2265 2474 -31 554 726 C ATOM 2406 C ARG B 94 80.097 40.324 65.938 1.00 16.34 C ANISOU 2406 C ARG B 94 1558 2315 2337 28 631 617 C ATOM 2407 O ARG B 94 79.287 39.632 66.565 1.00 15.98 O ANISOU 2407 O ARG B 94 1603 2270 2198 120 605 551 O ATOM 2408 CB ARG B 94 82.450 40.797 66.678 1.00 19.15 C ANISOU 2408 CB ARG B 94 2028 2617 2631 -56 417 677 C ATOM 2409 CG ARG B 94 82.144 40.734 68.154 1.00 19.07 C ANISOU 2409 CG ARG B 94 1805 2658 2784 -11 367 641 C ATOM 2410 CD ARG B 94 83.030 41.711 68.926 1.00 19.33 C ANISOU 2410 CD ARG B 94 1756 2709 2880 -298 325 773 C ATOM 2411 NE ARG B 94 82.789 41.603 70.363 1.00 20.84 N ANISOU 2411 NE ARG B 94 1952 2978 2989 -275 317 778 N ATOM 2412 CZ ARG B 94 83.361 40.685 71.141 1.00 22.07 C ANISOU 2412 CZ ARG B 94 2054 3211 3119 -150 282 729 C ATOM 2413 NH1 ARG B 94 84.186 39.769 70.605 1.00 21.58 N ANISOU 2413 NH1 ARG B 94 1714 3256 3230 -182 97 641 N ATOM 2414 NH2 ARG B 94 83.116 40.676 72.453 1.00 22.83 N ANISOU 2414 NH2 ARG B 94 2048 3497 3130 -1 291 714 N ATOM 0 H ARG B 94 82.646 40.487 64.274 1.00 17.44 H new ATOM 0 HA ARG B 94 81.615 38.980 66.126 1.00 16.44 H new ATOM 0 HB2 ARG B 94 83.376 40.543 66.538 1.00 19.15 H new ATOM 0 HB3 ARG B 94 82.359 41.715 66.377 1.00 19.15 H new ATOM 0 HG2 ARG B 94 81.210 40.947 68.306 1.00 19.07 H new ATOM 0 HG3 ARG B 94 82.286 39.832 68.481 1.00 19.07 H new ATOM 0 HD2 ARG B 94 83.963 41.528 68.735 1.00 19.33 H new ATOM 0 HD3 ARG B 94 82.853 42.618 68.631 1.00 19.33 H new ATOM 0 HE ARG B 94 82.248 42.163 70.727 1.00 20.84 H new ATOM 0 HH11 ARG B 94 84.345 39.775 69.760 1.00 21.58 H new ATOM 0 HH12 ARG B 94 84.555 39.177 71.107 1.00 21.58 H new ATOM 0 HH21 ARG B 94 82.589 41.263 72.796 1.00 22.83 H new ATOM 0 HH22 ARG B 94 83.485 40.084 72.955 1.00 22.83 H new ATOM 2415 N ALA B 95 79.733 41.420 65.279 1.00 16.34 N ANISOU 2415 N ALA B 95 1602 2244 2361 -136 654 557 N ATOM 2416 CA ALA B 95 78.348 41.902 65.339 1.00 17.61 C ANISOU 2416 CA ALA B 95 1821 2439 2432 -20 625 531 C ATOM 2417 C ALA B 95 77.374 40.879 64.735 1.00 16.99 C ANISOU 2417 C ALA B 95 1754 2406 2297 58 596 437 C ATOM 2418 O ALA B 95 76.323 40.576 65.314 1.00 15.72 O ANISOU 2418 O ALA B 95 1610 2204 2160 195 542 393 O ATOM 2419 CB ALA B 95 78.220 43.232 64.646 1.00 19.65 C ANISOU 2419 CB ALA B 95 2279 2602 2586 -153 728 594 C ATOM 0 H ALA B 95 80.262 41.896 64.796 1.00 16.34 H new ATOM 0 HA ALA B 95 78.113 42.018 66.273 1.00 17.61 H new ATOM 0 HB1 ALA B 95 77.300 43.535 64.695 1.00 19.65 H new ATOM 0 HB2 ALA B 95 78.797 43.880 65.080 1.00 19.65 H new ATOM 0 HB3 ALA B 95 78.480 43.139 63.716 1.00 19.65 H new ATOM 2420 N ALA B 96 77.744 40.301 63.594 1.00 18.22 N ANISOU 2420 N ALA B 96 2042 2596 2283 82 706 408 N ATOM 2421 CA ALA B 96 76.857 39.328 62.936 1.00 17.85 C ANISOU 2421 CA ALA B 96 2028 2499 2256 211 678 356 C ATOM 2422 C ALA B 96 76.705 38.084 63.794 1.00 16.36 C ANISOU 2422 C ALA B 96 1766 2401 2048 274 678 335 C ATOM 2423 O ALA B 96 75.633 37.504 63.888 1.00 16.32 O ANISOU 2423 O ALA B 96 1911 2338 1952 87 623 236 O ATOM 2424 CB ALA B 96 77.403 38.963 61.546 1.00 20.14 C ANISOU 2424 CB ALA B 96 2328 2942 2381 48 572 281 C ATOM 0 H ALA B 96 78.487 40.451 63.188 1.00 18.22 H new ATOM 0 HA ALA B 96 75.982 39.731 62.826 1.00 17.85 H new ATOM 0 HB1 ALA B 96 76.810 38.322 61.123 1.00 20.14 H new ATOM 0 HB2 ALA B 96 77.457 39.762 60.999 1.00 20.14 H new ATOM 0 HB3 ALA B 96 78.287 38.574 61.637 1.00 20.14 H new ATOM 2425 N THR B 97 77.799 37.664 64.414 1.00 15.99 N ANISOU 2425 N THR B 97 1783 2311 1981 168 668 375 N ATOM 2426 CA THR B 97 77.799 36.491 65.263 1.00 15.18 C ANISOU 2426 CA THR B 97 1648 2162 1958 231 618 387 C ATOM 2427 C THR B 97 76.865 36.706 66.453 1.00 14.18 C ANISOU 2427 C THR B 97 1511 2010 1868 288 503 388 C ATOM 2428 O THR B 97 76.027 35.842 66.765 1.00 13.51 O ANISOU 2428 O THR B 97 1355 2042 1735 328 507 392 O ATOM 2429 CB THR B 97 79.207 36.159 65.758 1.00 15.94 C ANISOU 2429 CB THR B 97 1679 2296 2082 136 602 445 C ATOM 2430 OG1 THR B 97 80.040 35.870 64.643 1.00 16.20 O ANISOU 2430 OG1 THR B 97 1666 2368 2123 260 652 453 O ATOM 2431 CG2 THR B 97 79.189 34.946 66.692 1.00 16.90 C ANISOU 2431 CG2 THR B 97 1859 2408 2156 334 490 539 C ATOM 0 H THR B 97 78.563 38.054 64.352 1.00 15.99 H new ATOM 0 HA THR B 97 77.483 35.741 64.735 1.00 15.18 H new ATOM 0 HB THR B 97 79.548 36.924 66.247 1.00 15.94 H new ATOM 0 HG1 THR B 97 80.251 36.586 64.258 1.00 16.20 H new ATOM 0 HG21 THR B 97 80.091 34.755 66.992 1.00 16.90 H new ATOM 0 HG22 THR B 97 78.627 35.136 67.459 1.00 16.90 H new ATOM 0 HG23 THR B 97 78.837 34.177 66.217 1.00 16.90 H new ATOM 2432 N LEU B 98 77.020 37.849 67.106 1.00 13.71 N ANISOU 2432 N LEU B 98 1446 1890 1874 126 379 370 N ATOM 2433 CA LEU B 98 76.187 38.184 68.262 1.00 14.44 C ANISOU 2433 CA LEU B 98 1541 2024 1923 89 422 311 C ATOM 2434 C LEU B 98 74.708 38.308 67.882 1.00 13.86 C ANISOU 2434 C LEU B 98 1553 1886 1826 149 423 248 C ATOM 2435 O LEU B 98 73.819 37.855 68.595 1.00 13.73 O ANISOU 2435 O LEU B 98 1606 1820 1791 85 408 226 O ATOM 2436 CB LEU B 98 76.680 39.461 68.950 1.00 14.66 C ANISOU 2436 CB LEU B 98 1403 2036 2133 -79 522 361 C ATOM 2437 CG LEU B 98 78.078 39.286 69.543 1.00 17.41 C ANISOU 2437 CG LEU B 98 1695 2494 2427 -120 475 346 C ATOM 2438 CD1 LEU B 98 78.622 40.618 70.037 1.00 20.21 C ANISOU 2438 CD1 LEU B 98 2223 2745 2709 -464 637 169 C ATOM 2439 CD2 LEU B 98 78.081 38.314 70.677 1.00 19.38 C ANISOU 2439 CD2 LEU B 98 2126 2862 2376 51 215 484 C ATOM 0 H LEU B 98 77.601 38.448 66.899 1.00 13.71 H new ATOM 0 HA LEU B 98 76.267 37.451 68.892 1.00 14.44 H new ATOM 0 HB2 LEU B 98 76.690 40.190 68.310 1.00 14.66 H new ATOM 0 HB3 LEU B 98 76.060 39.709 69.653 1.00 14.66 H new ATOM 0 HG LEU B 98 78.643 38.941 68.834 1.00 17.41 H new ATOM 0 HD11 LEU B 98 79.508 40.488 70.409 1.00 20.21 H new ATOM 0 HD12 LEU B 98 78.671 41.242 69.296 1.00 20.21 H new ATOM 0 HD13 LEU B 98 78.034 40.974 70.721 1.00 20.21 H new ATOM 0 HD21 LEU B 98 78.981 38.228 71.028 1.00 19.38 H new ATOM 0 HD22 LEU B 98 77.491 38.632 71.378 1.00 19.38 H new ATOM 0 HD23 LEU B 98 77.773 37.449 70.363 1.00 19.38 H new ATOM 2440 N GLN B 99 74.448 38.903 66.728 1.00 13.25 N ANISOU 2440 N GLN B 99 1499 1739 1797 125 440 263 N ATOM 2441 CA GLN B 99 73.094 39.008 66.221 1.00 13.65 C ANISOU 2441 CA GLN B 99 1629 1791 1768 169 389 217 C ATOM 2442 C GLN B 99 72.395 37.637 66.194 1.00 12.58 C ANISOU 2442 C GLN B 99 1477 1695 1608 198 347 181 C ATOM 2443 O GLN B 99 71.307 37.467 66.725 1.00 12.80 O ANISOU 2443 O GLN B 99 1527 1774 1561 178 323 180 O ATOM 2444 CB GLN B 99 73.157 39.627 64.821 1.00 15.76 C ANISOU 2444 CB GLN B 99 1858 2204 1926 337 374 250 C ATOM 2445 CG GLN B 99 71.846 39.792 64.113 1.00 18.22 C ANISOU 2445 CG GLN B 99 2336 2536 2051 442 369 324 C ATOM 2446 CD GLN B 99 72.118 40.465 62.768 1.00 19.50 C ANISOU 2446 CD GLN B 99 2845 2447 2116 471 487 327 C ATOM 2447 OE1 GLN B 99 71.957 41.668 62.629 1.00 17.84 O ANISOU 2447 OE1 GLN B 99 2528 2154 2097 167 580 316 O ATOM 2448 NE2 GLN B 99 72.579 39.679 61.785 1.00 19.35 N ANISOU 2448 NE2 GLN B 99 2733 2423 2196 574 453 318 N ATOM 0 H GLN B 99 75.047 39.254 66.221 1.00 13.25 H new ATOM 0 HA GLN B 99 72.568 39.573 66.808 1.00 13.65 H new ATOM 0 HB2 GLN B 99 73.578 40.498 64.891 1.00 15.76 H new ATOM 0 HB3 GLN B 99 73.735 39.076 64.270 1.00 15.76 H new ATOM 0 HG2 GLN B 99 71.421 38.930 63.981 1.00 18.22 H new ATOM 0 HG3 GLN B 99 71.239 40.330 64.645 1.00 18.22 H new ATOM 0 HE21 GLN B 99 72.679 38.836 61.920 1.00 19.35 H new ATOM 0 HE22 GLN B 99 72.774 40.018 61.019 1.00 19.35 H new ATOM 2449 N TRP B 100 73.052 36.650 65.587 1.00 11.90 N ANISOU 2449 N TRP B 100 1425 1555 1541 214 379 195 N ATOM 2450 CA TRP B 100 72.444 35.328 65.422 1.00 12.04 C ANISOU 2450 CA TRP B 100 1471 1590 1514 254 451 220 C ATOM 2451 C TRP B 100 72.446 34.543 66.747 1.00 12.43 C ANISOU 2451 C TRP B 100 1485 1725 1511 252 441 201 C ATOM 2452 O TRP B 100 71.563 33.734 66.972 1.00 12.01 O ANISOU 2452 O TRP B 100 1487 1577 1498 324 503 190 O ATOM 2453 CB TRP B 100 73.151 34.557 64.273 1.00 13.39 C ANISOU 2453 CB TRP B 100 1855 1703 1531 280 526 250 C ATOM 2454 CG TRP B 100 72.790 35.188 62.927 1.00 13.25 C ANISOU 2454 CG TRP B 100 1731 1759 1543 321 498 236 C ATOM 2455 CD1 TRP B 100 73.563 35.998 62.156 1.00 13.54 C ANISOU 2455 CD1 TRP B 100 1684 1932 1528 363 509 307 C ATOM 2456 CD2 TRP B 100 71.507 35.151 62.307 1.00 14.50 C ANISOU 2456 CD2 TRP B 100 1941 1971 1597 221 409 207 C ATOM 2457 NE1 TRP B 100 72.844 36.441 61.051 1.00 14.63 N ANISOU 2457 NE1 TRP B 100 1962 2040 1558 378 514 318 N ATOM 2458 CE2 TRP B 100 71.583 35.908 61.124 1.00 15.44 C ANISOU 2458 CE2 TRP B 100 2115 2160 1592 288 426 222 C ATOM 2459 CE3 TRP B 100 70.303 34.505 62.614 1.00 14.99 C ANISOU 2459 CE3 TRP B 100 2030 2007 1660 168 311 229 C ATOM 2460 CZ2 TRP B 100 70.495 36.069 60.276 1.00 16.06 C ANISOU 2460 CZ2 TRP B 100 2166 2273 1663 343 359 150 C ATOM 2461 CZ3 TRP B 100 69.231 34.676 61.757 1.00 16.58 C ANISOU 2461 CZ3 TRP B 100 2419 2190 1689 5 200 171 C ATOM 2462 CH2 TRP B 100 69.354 35.417 60.591 1.00 16.13 C ANISOU 2462 CH2 TRP B 100 2221 2191 1718 311 248 110 C ATOM 0 H TRP B 100 73.846 36.723 65.265 1.00 11.90 H new ATOM 0 HA TRP B 100 71.513 35.438 65.173 1.00 12.04 H new ATOM 0 HB2 TRP B 100 74.112 34.578 64.402 1.00 13.39 H new ATOM 0 HB3 TRP B 100 72.883 33.625 64.285 1.00 13.39 H new ATOM 0 HD1 TRP B 100 74.446 36.224 62.341 1.00 13.54 H new ATOM 0 HE1 TRP B 100 73.139 36.959 60.431 1.00 14.63 H new ATOM 0 HE3 TRP B 100 70.226 33.975 63.374 1.00 14.99 H new ATOM 0 HZ2 TRP B 100 70.550 36.606 59.519 1.00 16.06 H new ATOM 0 HZ3 TRP B 100 68.413 34.287 61.966 1.00 16.58 H new ATOM 0 HH2 TRP B 100 68.630 35.467 60.009 1.00 16.13 H new ATOM 2463 N LEU B 101 73.426 34.800 67.618 1.00 12.55 N ANISOU 2463 N LEU B 101 1472 1773 1525 195 380 198 N ATOM 2464 CA LEU B 101 73.407 34.200 68.963 1.00 12.08 C ANISOU 2464 CA LEU B 101 1340 1702 1547 153 367 203 C ATOM 2465 C LEU B 101 72.179 34.704 69.735 1.00 11.80 C ANISOU 2465 C LEU B 101 1261 1683 1539 115 294 202 C ATOM 2466 O LEU B 101 71.411 33.884 70.295 1.00 12.25 O ANISOU 2466 O LEU B 101 1318 1817 1518 108 298 228 O ATOM 2467 CB LEU B 101 74.694 34.535 69.742 1.00 12.24 C ANISOU 2467 CB LEU B 101 1329 1737 1585 266 399 239 C ATOM 2468 CG LEU B 101 74.724 34.121 71.207 1.00 12.94 C ANISOU 2468 CG LEU B 101 1331 1917 1668 196 340 260 C ATOM 2469 CD1 LEU B 101 74.629 32.615 71.319 1.00 14.61 C ANISOU 2469 CD1 LEU B 101 1829 2037 1686 270 231 349 C ATOM 2470 CD2 LEU B 101 75.989 34.634 71.873 1.00 12.99 C ANISOU 2470 CD2 LEU B 101 1078 2178 1681 115 397 234 C ATOM 0 H LEU B 101 74.100 35.309 67.457 1.00 12.55 H new ATOM 0 HA LEU B 101 73.358 33.236 68.867 1.00 12.08 H new ATOM 0 HB2 LEU B 101 75.441 34.112 69.291 1.00 12.24 H new ATOM 0 HB3 LEU B 101 74.838 35.493 69.693 1.00 12.24 H new ATOM 0 HG LEU B 101 73.963 34.512 71.663 1.00 12.94 H new ATOM 0 HD11 LEU B 101 74.649 32.358 72.254 1.00 14.61 H new ATOM 0 HD12 LEU B 101 73.799 32.312 70.918 1.00 14.61 H new ATOM 0 HD13 LEU B 101 75.378 32.208 70.857 1.00 14.61 H new ATOM 0 HD21 LEU B 101 75.997 34.364 72.805 1.00 12.99 H new ATOM 0 HD22 LEU B 101 76.765 34.264 71.423 1.00 12.99 H new ATOM 0 HD23 LEU B 101 76.015 35.602 71.817 1.00 12.99 H new ATOM 2471 N PHE B 102 71.959 36.012 69.758 1.00 11.93 N ANISOU 2471 N PHE B 102 1278 1699 1554 42 221 201 N ATOM 2472 CA PHE B 102 70.787 36.549 70.463 1.00 12.25 C ANISOU 2472 CA PHE B 102 1389 1727 1537 77 202 152 C ATOM 2473 C PHE B 102 69.473 36.076 69.794 1.00 12.35 C ANISOU 2473 C PHE B 102 1371 1828 1493 140 218 125 C ATOM 2474 O PHE B 102 68.479 35.829 70.466 1.00 12.13 O ANISOU 2474 O PHE B 102 1417 1720 1472 58 180 153 O ATOM 2475 CB PHE B 102 70.849 38.057 70.573 1.00 11.79 C ANISOU 2475 CB PHE B 102 1226 1661 1594 108 197 147 C ATOM 2476 CG PHE B 102 71.695 38.546 71.721 1.00 12.27 C ANISOU 2476 CG PHE B 102 1267 1730 1666 32 203 96 C ATOM 2477 CD1 PHE B 102 71.153 38.672 72.984 1.00 13.72 C ANISOU 2477 CD1 PHE B 102 1423 2101 1688 -56 213 -34 C ATOM 2478 CD2 PHE B 102 73.006 38.915 71.520 1.00 12.76 C ANISOU 2478 CD2 PHE B 102 1329 1795 1724 -22 200 118 C ATOM 2479 CE1 PHE B 102 71.937 39.110 74.058 1.00 14.32 C ANISOU 2479 CE1 PHE B 102 1450 2235 1755 -59 210 -87 C ATOM 2480 CE2 PHE B 102 73.790 39.354 72.570 1.00 13.88 C ANISOU 2480 CE2 PHE B 102 1525 1985 1762 -25 124 140 C ATOM 2481 CZ PHE B 102 73.242 39.483 73.836 1.00 13.72 C ANISOU 2481 CZ PHE B 102 1410 2014 1790 -68 110 37 C ATOM 0 H PHE B 102 72.461 36.600 69.382 1.00 11.93 H new ATOM 0 HA PHE B 102 70.798 36.198 71.367 1.00 12.25 H new ATOM 0 HB2 PHE B 102 71.201 38.420 69.745 1.00 11.79 H new ATOM 0 HB3 PHE B 102 69.949 38.403 70.675 1.00 11.79 H new ATOM 0 HD1 PHE B 102 70.257 38.464 73.123 1.00 13.72 H new ATOM 0 HD2 PHE B 102 73.369 38.868 70.665 1.00 12.76 H new ATOM 0 HE1 PHE B 102 71.578 39.148 74.915 1.00 14.32 H new ATOM 0 HE2 PHE B 102 74.685 39.563 72.427 1.00 13.88 H new ATOM 0 HZ PHE B 102 73.755 39.821 74.534 1.00 13.72 H new ATOM 2482 N TRP B 103 69.492 35.941 68.458 1.00 11.53 N ANISOU 2482 N TRP B 103 1355 1543 1483 141 281 73 N ATOM 2483 CA TRP B 103 68.318 35.473 67.743 1.00 11.82 C ANISOU 2483 CA TRP B 103 1448 1564 1478 368 266 27 C ATOM 2484 C TRP B 103 67.963 34.066 68.193 1.00 12.23 C ANISOU 2484 C TRP B 103 1462 1689 1494 215 254 35 C ATOM 2485 O TRP B 103 66.823 33.717 68.398 1.00 12.10 O ANISOU 2485 O TRP B 103 1342 1731 1524 191 236 14 O ATOM 2486 CB TRP B 103 68.558 35.514 66.241 1.00 12.85 C ANISOU 2486 CB TRP B 103 1656 1755 1470 268 247 34 C ATOM 2487 CG TRP B 103 67.486 34.868 65.420 1.00 12.75 C ANISOU 2487 CG TRP B 103 1639 1692 1515 152 266 66 C ATOM 2488 CD1 TRP B 103 66.336 35.463 64.949 1.00 13.07 C ANISOU 2488 CD1 TRP B 103 1631 1801 1534 183 223 42 C ATOM 2489 CD2 TRP B 103 67.476 33.525 64.919 1.00 13.08 C ANISOU 2489 CD2 TRP B 103 1723 1652 1595 172 281 86 C ATOM 2490 NE1 TRP B 103 65.616 34.560 64.197 1.00 13.95 N ANISOU 2490 NE1 TRP B 103 1806 1911 1582 145 207 32 N ATOM 2491 CE2 TRP B 103 66.290 33.368 64.163 1.00 14.29 C ANISOU 2491 CE2 TRP B 103 1909 1853 1666 173 263 -1 C ATOM 2492 CE3 TRP B 103 68.359 32.431 65.034 1.00 13.84 C ANISOU 2492 CE3 TRP B 103 1840 1754 1665 198 210 115 C ATOM 2493 CZ2 TRP B 103 65.948 32.167 63.543 1.00 15.29 C ANISOU 2493 CZ2 TRP B 103 2032 1972 1807 171 217 -91 C ATOM 2494 CZ3 TRP B 103 68.015 31.238 64.413 1.00 15.81 C ANISOU 2494 CZ3 TRP B 103 2204 1992 1812 546 210 -18 C ATOM 2495 CH2 TRP B 103 66.830 31.109 63.675 1.00 16.22 C ANISOU 2495 CH2 TRP B 103 2252 2056 1856 257 193 -109 C ATOM 0 H TRP B 103 70.172 36.116 67.961 1.00 11.53 H new ATOM 0 HA TRP B 103 67.573 36.060 67.945 1.00 11.82 H new ATOM 0 HB2 TRP B 103 68.647 36.440 65.965 1.00 12.85 H new ATOM 0 HB3 TRP B 103 69.403 35.078 66.049 1.00 12.85 H new ATOM 0 HD1 TRP B 103 66.083 36.343 65.114 1.00 13.07 H new ATOM 0 HE1 TRP B 103 64.864 34.719 63.811 1.00 13.95 H new ATOM 0 HE3 TRP B 103 69.152 32.507 65.514 1.00 13.84 H new ATOM 0 HZ2 TRP B 103 65.158 32.080 63.060 1.00 15.29 H new ATOM 0 HZ3 TRP B 103 68.584 30.507 64.488 1.00 15.81 H new ATOM 0 HH2 TRP B 103 66.633 30.297 63.266 1.00 16.22 H new ATOM 2496 N GLN B 104 68.992 33.228 68.358 1.00 11.70 N ANISOU 2496 N GLN B 104 1424 1554 1466 226 265 62 N ATOM 2497 CA GLN B 104 68.755 31.897 68.900 1.00 11.53 C ANISOU 2497 CA GLN B 104 1448 1473 1458 180 202 46 C ATOM 2498 C GLN B 104 68.140 31.937 70.310 1.00 10.47 C ANISOU 2498 C GLN B 104 1209 1353 1416 267 175 104 C ATOM 2499 O GLN B 104 67.183 31.232 70.617 1.00 10.79 O ANISOU 2499 O GLN B 104 1241 1449 1408 191 114 147 O ATOM 2500 CB GLN B 104 70.074 31.105 68.925 1.00 11.65 C ANISOU 2500 CB GLN B 104 1392 1507 1527 145 104 -4 C ATOM 2501 CG GLN B 104 69.905 29.634 69.305 1.00 12.67 C ANISOU 2501 CG GLN B 104 1596 1571 1648 83 128 22 C ATOM 2502 CD GLN B 104 69.688 29.398 70.797 1.00 13.93 C ANISOU 2502 CD GLN B 104 1755 1726 1813 149 211 40 C ATOM 2503 OE1 GLN B 104 70.410 29.916 71.622 1.00 14.78 O ANISOU 2503 OE1 GLN B 104 1883 1835 1898 74 134 38 O ATOM 2504 NE2 GLN B 104 68.710 28.581 71.141 1.00 14.55 N ANISOU 2504 NE2 GLN B 104 1752 1932 1844 168 342 17 N ATOM 0 H GLN B 104 69.811 33.408 68.167 1.00 11.70 H new ATOM 0 HA GLN B 104 68.113 31.457 68.320 1.00 11.53 H new ATOM 0 HB2 GLN B 104 70.490 31.158 68.050 1.00 11.65 H new ATOM 0 HB3 GLN B 104 70.681 31.525 69.554 1.00 11.65 H new ATOM 0 HG2 GLN B 104 69.151 29.268 68.816 1.00 12.67 H new ATOM 0 HG3 GLN B 104 70.692 29.144 69.021 1.00 12.67 H new ATOM 0 HE21 GLN B 104 68.212 28.227 70.535 1.00 14.55 H new ATOM 0 HE22 GLN B 104 68.570 28.403 71.971 1.00 14.55 H new ATOM 2505 N VAL B 105 68.733 32.748 71.172 1.00 10.91 N ANISOU 2505 N VAL B 105 1204 1513 1429 246 159 100 N ATOM 2506 CA VAL B 105 68.331 32.771 72.575 1.00 11.20 C ANISOU 2506 CA VAL B 105 1206 1567 1483 101 154 74 C ATOM 2507 C VAL B 105 66.937 33.342 72.748 1.00 11.90 C ANISOU 2507 C VAL B 105 1305 1700 1516 13 169 18 C ATOM 2508 O VAL B 105 66.156 32.865 73.556 1.00 12.55 O ANISOU 2508 O VAL B 105 1317 1942 1508 77 250 41 O ATOM 2509 CB VAL B 105 69.335 33.593 73.407 1.00 11.46 C ANISOU 2509 CB VAL B 105 1193 1648 1513 8 166 107 C ATOM 2510 CG1 VAL B 105 68.800 33.870 74.827 1.00 11.98 C ANISOU 2510 CG1 VAL B 105 1169 1889 1495 -128 152 150 C ATOM 2511 CG2 VAL B 105 70.661 32.838 73.475 1.00 12.96 C ANISOU 2511 CG2 VAL B 105 1362 2012 1552 205 215 26 C ATOM 0 H VAL B 105 69.368 33.292 70.970 1.00 10.91 H new ATOM 0 HA VAL B 105 68.323 31.854 72.890 1.00 11.20 H new ATOM 0 HB VAL B 105 69.467 34.452 72.976 1.00 11.46 H new ATOM 0 HG11 VAL B 105 69.453 34.388 75.324 1.00 11.98 H new ATOM 0 HG12 VAL B 105 67.970 34.368 74.769 1.00 11.98 H new ATOM 0 HG13 VAL B 105 68.640 33.029 75.283 1.00 11.98 H new ATOM 0 HG21 VAL B 105 71.298 33.350 73.997 1.00 12.96 H new ATOM 0 HG22 VAL B 105 70.521 31.974 73.893 1.00 12.96 H new ATOM 0 HG23 VAL B 105 71.007 32.710 72.578 1.00 12.96 H new ATOM 2512 N GLY B 106 66.612 34.317 71.946 1.00 12.11 N ANISOU 2512 N GLY B 106 1330 1692 1578 -30 112 35 N ATOM 2513 CA GLY B 106 65.312 34.970 72.082 1.00 12.66 C ANISOU 2513 CA GLY B 106 1309 1823 1680 -5 138 52 C ATOM 2514 C GLY B 106 64.208 34.410 71.188 1.00 13.88 C ANISOU 2514 C GLY B 106 1388 2110 1777 -89 124 -81 C ATOM 2515 O GLY B 106 63.029 34.700 71.415 1.00 13.91 O ANISOU 2515 O GLY B 106 1334 2093 1860 22 63 -240 O ATOM 0 H GLY B 106 67.113 34.624 71.318 1.00 12.11 H new ATOM 0 HA2 GLY B 106 65.026 34.901 73.006 1.00 12.66 H new ATOM 0 HA3 GLY B 106 65.418 35.914 71.888 1.00 12.66 H new ATOM 2516 N GLY B 107 64.573 33.629 70.179 1.00 13.40 N ANISOU 2516 N GLY B 107 1418 1926 1749 12 104 -10 N ATOM 2517 CA GLY B 107 63.612 33.165 69.182 1.00 13.72 C ANISOU 2517 CA GLY B 107 1558 1911 1745 0 76 43 C ATOM 2518 C GLY B 107 63.605 31.690 68.976 1.00 14.69 C ANISOU 2518 C GLY B 107 1701 2090 1792 -39 39 62 C ATOM 2519 O GLY B 107 62.644 31.012 69.338 1.00 16.31 O ANISOU 2519 O GLY B 107 1807 2481 1908 -242 -75 71 O ATOM 0 H GLY B 107 65.378 33.354 70.052 1.00 13.40 H new ATOM 0 HA2 GLY B 107 62.723 33.448 69.449 1.00 13.72 H new ATOM 0 HA3 GLY B 107 63.805 33.598 68.336 1.00 13.72 H new ATOM 2520 N LEU B 108 64.697 31.165 68.428 1.00 13.86 N ANISOU 2520 N LEU B 108 1707 1838 1721 -26 127 85 N ATOM 2521 CA LEU B 108 64.748 29.745 68.091 1.00 14.23 C ANISOU 2521 CA LEU B 108 1865 1807 1733 10 151 80 C ATOM 2522 C LEU B 108 64.482 28.836 69.313 1.00 14.23 C ANISOU 2522 C LEU B 108 1791 1863 1753 -139 132 17 C ATOM 2523 O LEU B 108 63.649 27.904 69.289 1.00 13.79 O ANISOU 2523 O LEU B 108 1664 1775 1802 -116 90 -22 O ATOM 2524 CB LEU B 108 66.112 29.403 67.471 1.00 15.03 C ANISOU 2524 CB LEU B 108 1940 1903 1867 83 132 87 C ATOM 2525 CG LEU B 108 66.187 28.019 66.813 1.00 16.59 C ANISOU 2525 CG LEU B 108 2298 1970 2037 41 68 20 C ATOM 2526 CD1 LEU B 108 65.358 27.984 65.515 1.00 15.63 C ANISOU 2526 CD1 LEU B 108 2104 1775 2061 117 -11 -89 C ATOM 2527 CD2 LEU B 108 67.627 27.652 66.496 1.00 17.41 C ANISOU 2527 CD2 LEU B 108 2414 2079 2123 150 98 66 C ATOM 0 H LEU B 108 65.411 31.607 68.245 1.00 13.86 H new ATOM 0 HA LEU B 108 64.041 29.577 67.449 1.00 14.23 H new ATOM 0 HB2 LEU B 108 66.330 30.076 66.807 1.00 15.03 H new ATOM 0 HB3 LEU B 108 66.791 29.456 68.162 1.00 15.03 H new ATOM 0 HG LEU B 108 65.823 27.375 67.441 1.00 16.59 H new ATOM 0 HD11 LEU B 108 65.419 27.102 65.116 1.00 15.63 H new ATOM 0 HD12 LEU B 108 64.431 28.184 65.718 1.00 15.63 H new ATOM 0 HD13 LEU B 108 65.702 28.644 64.893 1.00 15.63 H new ATOM 0 HD21 LEU B 108 67.654 26.776 66.081 1.00 17.41 H new ATOM 0 HD22 LEU B 108 68.002 28.308 65.888 1.00 17.41 H new ATOM 0 HD23 LEU B 108 68.145 27.637 67.316 1.00 17.41 H new ATOM 2528 N GLY B 109 65.246 29.058 70.363 1.00 13.87 N ANISOU 2528 N GLY B 109 1703 1778 1788 -117 119 31 N ATOM 2529 CA GLY B 109 65.139 28.226 71.555 1.00 14.36 C ANISOU 2529 CA GLY B 109 1730 1926 1802 -257 55 137 C ATOM 2530 C GLY B 109 63.762 28.297 72.198 1.00 14.70 C ANISOU 2530 C GLY B 109 1855 1880 1850 -293 3 218 C ATOM 2531 O GLY B 109 63.116 27.272 72.394 1.00 14.60 O ANISOU 2531 O GLY B 109 1849 1823 1874 -308 -124 288 O ATOM 0 H GLY B 109 65.834 29.683 70.412 1.00 13.87 H new ATOM 0 HA2 GLY B 109 65.336 27.305 71.321 1.00 14.36 H new ATOM 0 HA3 GLY B 109 65.808 28.504 72.200 1.00 14.36 H new ATOM 2532 N PRO B 110 63.314 29.518 72.535 1.00 13.96 N ANISOU 2532 N PRO B 110 1581 1882 1843 -282 62 154 N ATOM 2533 CA PRO B 110 62.026 29.654 73.219 1.00 14.73 C ANISOU 2533 CA PRO B 110 1588 2137 1873 -329 13 116 C ATOM 2534 C PRO B 110 60.868 29.106 72.389 1.00 14.20 C ANISOU 2534 C PRO B 110 1516 2004 1874 -401 40 122 C ATOM 2535 O PRO B 110 60.011 28.447 72.947 1.00 13.76 O ANISOU 2535 O PRO B 110 1408 1963 1859 -337 91 179 O ATOM 2536 CB PRO B 110 61.887 31.163 73.414 1.00 13.98 C ANISOU 2536 CB PRO B 110 1416 2057 1837 -308 25 198 C ATOM 2537 CG PRO B 110 63.344 31.644 73.518 1.00 13.20 C ANISOU 2537 CG PRO B 110 1314 1898 1803 -248 108 201 C ATOM 2538 CD PRO B 110 64.086 30.785 72.532 1.00 13.16 C ANISOU 2538 CD PRO B 110 1414 1790 1796 -167 127 195 C ATOM 0 HA PRO B 110 61.998 29.151 74.048 1.00 14.73 H new ATOM 0 HB2 PRO B 110 61.425 31.579 72.669 1.00 13.98 H new ATOM 0 HB3 PRO B 110 61.382 31.375 74.215 1.00 13.98 H new ATOM 0 HG2 PRO B 110 63.423 32.585 73.298 1.00 13.20 H new ATOM 0 HG3 PRO B 110 63.691 31.533 74.417 1.00 13.20 H new ATOM 0 HD2 PRO B 110 64.108 31.189 71.650 1.00 13.16 H new ATOM 0 HD3 PRO B 110 65.007 30.644 72.802 1.00 13.16 H new ATOM 2539 N MET B 111 60.844 29.380 71.087 1.00 14.60 N ANISOU 2539 N MET B 111 1654 1956 1939 -564 8 136 N ATOM 2540 CA MET B 111 59.685 28.985 70.282 1.00 16.34 C ANISOU 2540 CA MET B 111 1911 2359 1939 -424 -85 135 C ATOM 2541 C MET B 111 59.708 27.490 69.990 1.00 16.33 C ANISOU 2541 C MET B 111 1887 2363 1955 -480 -151 124 C ATOM 2542 O MET B 111 58.667 26.816 70.075 1.00 16.86 O ANISOU 2542 O MET B 111 2047 2338 2022 -520 -93 143 O ATOM 2543 CB MET B 111 59.636 29.809 68.987 1.00 17.16 C ANISOU 2543 CB MET B 111 2128 2413 1979 -201 -43 184 C ATOM 2544 CG MET B 111 59.410 31.293 69.256 1.00 17.38 C ANISOU 2544 CG MET B 111 1939 2528 2136 -396 -22 195 C ATOM 2545 SD MET B 111 57.808 31.597 70.036 1.00 18.90 S ANISOU 2545 SD MET B 111 1965 2947 2270 -242 -30 101 S ATOM 2546 CE MET B 111 58.236 31.992 71.719 1.00 21.44 C ANISOU 2546 CE MET B 111 2129 3540 2478 -346 25 27 C ATOM 0 H MET B 111 61.470 29.783 70.657 1.00 14.60 H new ATOM 0 HA MET B 111 58.878 29.168 70.788 1.00 16.34 H new ATOM 0 HB2 MET B 111 60.467 29.693 68.500 1.00 17.16 H new ATOM 0 HB3 MET B 111 58.925 29.473 68.419 1.00 17.16 H new ATOM 0 HG2 MET B 111 60.117 31.629 69.828 1.00 17.38 H new ATOM 0 HG3 MET B 111 59.462 31.785 68.421 1.00 17.38 H new ATOM 0 HE1 MET B 111 57.428 32.174 72.224 1.00 21.44 H new ATOM 0 HE2 MET B 111 58.705 31.243 72.118 1.00 21.44 H new ATOM 0 HE3 MET B 111 58.808 32.775 71.732 1.00 21.44 H new ATOM 2547 N LEU B 112 60.874 26.938 69.671 1.00 15.10 N ANISOU 2547 N LEU B 112 1887 1951 1899 -581 -190 117 N ATOM 2548 CA LEU B 112 60.936 25.497 69.466 1.00 15.64 C ANISOU 2548 CA LEU B 112 2050 1955 1936 -470 -167 46 C ATOM 2549 C LEU B 112 60.607 24.782 70.781 1.00 15.80 C ANISOU 2549 C LEU B 112 2016 1924 2063 -482 -64 115 C ATOM 2550 O LEU B 112 60.004 23.706 70.794 1.00 17.10 O ANISOU 2550 O LEU B 112 2247 2072 2178 -619 -14 258 O ATOM 2551 CB LEU B 112 62.292 25.043 68.904 1.00 15.70 C ANISOU 2551 CB LEU B 112 1996 2023 1945 -399 -179 -34 C ATOM 2552 CG LEU B 112 62.447 25.167 67.373 1.00 16.96 C ANISOU 2552 CG LEU B 112 2422 2015 2008 -287 -66 85 C ATOM 2553 CD1 LEU B 112 61.966 26.520 66.839 1.00 17.13 C ANISOU 2553 CD1 LEU B 112 2239 2142 2127 -323 -9 139 C ATOM 2554 CD2 LEU B 112 63.885 24.890 66.957 1.00 17.50 C ANISOU 2554 CD2 LEU B 112 2474 2208 1969 -319 12 246 C ATOM 0 H LEU B 112 61.616 27.362 69.571 1.00 15.10 H new ATOM 0 HA LEU B 112 60.275 25.257 68.797 1.00 15.64 H new ATOM 0 HB2 LEU B 112 62.992 25.564 69.328 1.00 15.70 H new ATOM 0 HB3 LEU B 112 62.436 24.117 69.155 1.00 15.70 H new ATOM 0 HG LEU B 112 61.873 24.495 66.973 1.00 16.96 H new ATOM 0 HD11 LEU B 112 62.084 26.549 65.877 1.00 17.13 H new ATOM 0 HD12 LEU B 112 61.027 26.637 67.053 1.00 17.13 H new ATOM 0 HD13 LEU B 112 62.482 27.232 67.249 1.00 17.13 H new ATOM 0 HD21 LEU B 112 63.965 24.972 65.994 1.00 17.50 H new ATOM 0 HD22 LEU B 112 64.475 25.530 67.386 1.00 17.50 H new ATOM 0 HD23 LEU B 112 64.133 23.992 67.226 1.00 17.50 H new ATOM 2555 N GLY B 113 61.004 25.395 71.894 1.00 15.52 N ANISOU 2555 N GLY B 113 1896 1892 2107 -484 -31 108 N ATOM 2556 CA GLY B 113 60.673 24.829 73.205 1.00 16.60 C ANISOU 2556 CA GLY B 113 1900 2264 2143 -443 -19 171 C ATOM 2557 C GLY B 113 59.173 24.781 73.460 1.00 16.89 C ANISOU 2557 C GLY B 113 1975 2193 2251 -677 -8 287 C ATOM 2558 O GLY B 113 58.682 23.841 74.076 1.00 16.33 O ANISOU 2558 O GLY B 113 1939 2041 2224 -572 -39 312 O ATOM 0 H GLY B 113 61.457 26.126 71.916 1.00 15.52 H new ATOM 0 HA2 GLY B 113 61.037 23.932 73.268 1.00 16.60 H new ATOM 0 HA3 GLY B 113 61.099 25.357 73.898 1.00 16.60 H new ATOM 2559 N GLN B 114 58.444 25.793 73.003 1.00 18.35 N ANISOU 2559 N GLN B 114 2119 2481 2371 -629 -37 394 N ATOM 2560 CA GLN B 114 56.994 25.803 73.169 1.00 19.27 C ANISOU 2560 CA GLN B 114 2180 2716 2426 -728 -121 379 C ATOM 2561 C GLN B 114 56.352 24.765 72.255 1.00 18.84 C ANISOU 2561 C GLN B 114 2006 2677 2476 -831 -221 360 C ATOM 2562 O GLN B 114 55.395 24.093 72.631 1.00 19.77 O ANISOU 2562 O GLN B 114 2149 2820 2543 -915 -138 407 O ATOM 2563 CB GLN B 114 56.420 27.190 72.872 1.00 18.07 C ANISOU 2563 CB GLN B 114 1943 2599 2323 -592 -11 352 C ATOM 2564 CG GLN B 114 57.015 28.313 73.706 1.00 18.05 C ANISOU 2564 CG GLN B 114 1752 2782 2323 -581 12 376 C ATOM 2565 CD GLN B 114 57.241 27.915 75.151 1.00 18.57 C ANISOU 2565 CD GLN B 114 1790 2962 2303 -582 42 415 C ATOM 2566 OE1 GLN B 114 56.293 27.709 75.907 1.00 19.70 O ANISOU 2566 OE1 GLN B 114 1928 3232 2325 -511 100 411 O ATOM 2567 NE2 GLN B 114 58.504 27.808 75.543 1.00 18.02 N ANISOU 2567 NE2 GLN B 114 1746 2799 2300 -637 6 451 N ATOM 0 H GLN B 114 58.766 26.479 72.597 1.00 18.35 H new ATOM 0 HA GLN B 114 56.793 25.580 74.092 1.00 19.27 H new ATOM 0 HB2 GLN B 114 56.560 27.391 71.933 1.00 18.07 H new ATOM 0 HB3 GLN B 114 55.461 27.168 73.017 1.00 18.07 H new ATOM 0 HG2 GLN B 114 57.859 28.588 73.315 1.00 18.05 H new ATOM 0 HG3 GLN B 114 56.424 29.081 73.675 1.00 18.05 H new ATOM 0 HE21 GLN B 114 59.141 27.960 74.986 1.00 18.02 H new ATOM 0 HE22 GLN B 114 58.685 27.587 76.354 1.00 18.02 H new ATOM 2568 N ASN B 115 56.896 24.650 71.051 1.00 18.36 N ANISOU 2568 N ASN B 115 2061 2397 2519 -866 -340 293 N ATOM 2569 CA ASN B 115 56.535 23.594 70.101 1.00 19.15 C ANISOU 2569 CA ASN B 115 2281 2399 2596 -1076 -326 264 C ATOM 2570 C ASN B 115 56.641 22.240 70.792 1.00 20.47 C ANISOU 2570 C ASN B 115 2532 2470 2774 -1126 -231 294 C ATOM 2571 O ASN B 115 55.667 21.478 70.829 1.00 20.33 O ANISOU 2571 O ASN B 115 2385 2555 2783 -1132 -228 281 O ATOM 2572 CB ASN B 115 57.457 23.670 68.869 1.00 19.52 C ANISOU 2572 CB ASN B 115 2457 2285 2675 -695 -388 291 C ATOM 2573 CG ASN B 115 57.183 22.600 67.823 1.00 23.51 C ANISOU 2573 CG ASN B 115 3429 2617 2886 -894 -470 221 C ATOM 2574 OD1 ASN B 115 56.846 21.453 68.136 1.00 25.48 O ANISOU 2574 OD1 ASN B 115 3675 2900 3107 -1321 -448 128 O ATOM 2575 ND2 ASN B 115 57.420 22.948 66.558 1.00 23.81 N ANISOU 2575 ND2 ASN B 115 3531 2644 2872 -749 -484 239 N ATOM 0 H ASN B 115 57.496 25.190 70.754 1.00 18.36 H new ATOM 0 HA ASN B 115 55.621 23.713 69.799 1.00 19.15 H new ATOM 0 HB2 ASN B 115 57.360 24.543 68.458 1.00 19.52 H new ATOM 0 HB3 ASN B 115 58.379 23.595 69.161 1.00 19.52 H new ATOM 0 HD21 ASN B 115 57.340 22.366 65.930 1.00 23.81 H new ATOM 0 HD22 ASN B 115 57.653 23.754 66.370 1.00 23.81 H new ATOM 2576 N HIS B 116 57.804 21.958 71.380 1.00 22.74 N ANISOU 2576 N HIS B 116 2835 2791 3014 -886 -146 418 N ATOM 2577 CA HIS B 116 58.000 20.701 72.113 1.00 23.01 C ANISOU 2577 CA HIS B 116 2996 2617 3131 -954 -129 456 C ATOM 2578 C HIS B 116 56.929 20.510 73.201 1.00 22.45 C ANISOU 2578 C HIS B 116 2854 2604 3071 -1119 -175 544 C ATOM 2579 O HIS B 116 56.330 19.432 73.331 1.00 22.37 O ANISOU 2579 O HIS B 116 2860 2632 3008 -1371 -263 608 O ATOM 2580 CB HIS B 116 59.378 20.644 72.768 1.00 23.79 C ANISOU 2580 CB HIS B 116 3063 2757 3219 -898 -40 403 C ATOM 2581 CG HIS B 116 60.520 20.514 71.805 1.00 26.42 C ANISOU 2581 CG HIS B 116 3456 3351 3233 -651 -59 358 C ATOM 2582 ND1 HIS B 116 61.823 20.332 72.226 1.00 26.92 N ANISOU 2582 ND1 HIS B 116 3636 3300 3294 -771 -69 382 N ATOM 2583 CD2 HIS B 116 60.565 20.525 70.450 1.00 26.82 C ANISOU 2583 CD2 HIS B 116 3612 3471 3108 -472 -90 219 C ATOM 2584 CE1 HIS B 116 62.618 20.245 71.171 1.00 25.69 C ANISOU 2584 CE1 HIS B 116 3375 3250 3135 -956 -9 219 C ATOM 2585 NE2 HIS B 116 61.880 20.364 70.087 1.00 25.88 N ANISOU 2585 NE2 HIS B 116 3604 3071 3159 -749 -5 170 N ATOM 0 H HIS B 116 58.490 22.477 71.368 1.00 22.74 H new ATOM 0 HA HIS B 116 57.925 19.988 71.459 1.00 23.01 H new ATOM 0 HB2 HIS B 116 59.506 21.447 73.297 1.00 23.79 H new ATOM 0 HB3 HIS B 116 59.401 19.894 73.382 1.00 23.79 H new ATOM 0 HD1 HIS B 116 62.078 20.283 73.046 1.00 26.92 H new ATOM 0 HD2 HIS B 116 59.841 20.623 69.874 1.00 26.82 H new ATOM 0 HE1 HIS B 116 63.539 20.121 71.192 1.00 25.69 H new ATOM 2586 N HIS B 117 56.689 21.563 73.967 1.00 23.23 N ANISOU 2586 N HIS B 117 2868 2875 3083 -1124 -63 579 N ATOM 2587 CA HIS B 117 55.759 21.456 75.074 1.00 23.81 C ANISOU 2587 CA HIS B 117 2680 3241 3126 -1038 -110 608 C ATOM 2588 C HIS B 117 54.350 21.092 74.617 1.00 25.43 C ANISOU 2588 C HIS B 117 2972 3411 3281 -1282 -209 551 C ATOM 2589 O HIS B 117 53.745 20.130 75.121 1.00 25.81 O ANISOU 2589 O HIS B 117 3039 3419 3349 -1439 -185 545 O ATOM 2590 CB HIS B 117 55.691 22.736 75.903 1.00 22.60 C ANISOU 2590 CB HIS B 117 2343 3085 3158 -872 -108 679 C ATOM 2591 CG HIS B 117 54.649 22.659 76.975 1.00 24.35 C ANISOU 2591 CG HIS B 117 2382 3602 3269 -1047 26 646 C ATOM 2592 ND1 HIS B 117 54.814 21.909 78.123 1.00 26.20 N ANISOU 2592 ND1 HIS B 117 2678 3915 3363 -821 -11 771 N ATOM 2593 CD2 HIS B 117 53.394 23.170 77.043 1.00 25.03 C ANISOU 2593 CD2 HIS B 117 2478 3694 3340 -928 219 537 C ATOM 2594 CE1 HIS B 117 53.725 21.992 78.862 1.00 26.74 C ANISOU 2594 CE1 HIS B 117 2668 4068 3424 -1050 23 797 C ATOM 2595 NE2 HIS B 117 52.846 22.748 78.230 1.00 26.55 N ANISOU 2595 NE2 HIS B 117 2828 3825 3435 -967 136 713 N ATOM 0 H HIS B 117 57.049 22.337 73.864 1.00 23.23 H new ATOM 0 HA HIS B 117 56.107 20.739 75.627 1.00 23.81 H new ATOM 0 HB2 HIS B 117 56.557 22.905 76.307 1.00 22.60 H new ATOM 0 HB3 HIS B 117 55.499 23.487 75.320 1.00 22.60 H new ATOM 0 HD1 HIS B 117 55.518 21.458 78.325 1.00 26.20 H new ATOM 0 HD2 HIS B 117 52.981 23.706 76.405 1.00 25.03 H new ATOM 0 HE1 HIS B 117 53.598 21.586 79.689 1.00 26.74 H new ATOM 2596 N PHE B 118 53.805 21.873 73.685 1.00 25.55 N ANISOU 2596 N PHE B 118 2814 3470 3422 -1194 -303 515 N ATOM 2597 CA PHE B 118 52.415 21.671 73.325 1.00 25.72 C ANISOU 2597 CA PHE B 118 2728 3577 3466 -1260 -370 465 C ATOM 2598 C PHE B 118 52.198 20.377 72.522 1.00 27.03 C ANISOU 2598 C PHE B 118 2952 3674 3645 -1439 -540 328 C ATOM 2599 O PHE B 118 51.100 19.811 72.518 1.00 28.08 O ANISOU 2599 O PHE B 118 3193 3784 3694 -1600 -650 179 O ATOM 2600 CB PHE B 118 51.871 22.887 72.574 1.00 24.64 C ANISOU 2600 CB PHE B 118 2458 3537 3368 -1374 -334 533 C ATOM 2601 CG PHE B 118 51.525 24.032 73.474 1.00 22.81 C ANISOU 2601 CG PHE B 118 1974 3496 3198 -1148 -280 603 C ATOM 2602 CD1 PHE B 118 50.352 24.020 74.222 1.00 24.47 C ANISOU 2602 CD1 PHE B 118 2289 3788 3221 -1219 -41 740 C ATOM 2603 CD2 PHE B 118 52.382 25.119 73.603 1.00 21.93 C ANISOU 2603 CD2 PHE B 118 2004 3307 3021 -1045 -308 465 C ATOM 2604 CE1 PHE B 118 50.043 25.083 75.074 1.00 23.78 C ANISOU 2604 CE1 PHE B 118 2035 3805 3195 -1140 160 565 C ATOM 2605 CE2 PHE B 118 52.075 26.169 74.449 1.00 21.76 C ANISOU 2605 CE2 PHE B 118 1777 3478 3014 -795 -199 380 C ATOM 2606 CZ PHE B 118 50.914 26.143 75.194 1.00 23.12 C ANISOU 2606 CZ PHE B 118 1904 3768 3114 -1038 30 384 C ATOM 0 H PHE B 118 54.211 22.504 73.265 1.00 25.55 H new ATOM 0 HA PHE B 118 51.916 21.570 74.151 1.00 25.72 H new ATOM 0 HB2 PHE B 118 52.530 23.181 71.926 1.00 24.64 H new ATOM 0 HB3 PHE B 118 51.081 22.625 72.076 1.00 24.64 H new ATOM 0 HD1 PHE B 118 49.769 23.299 74.154 1.00 24.47 H new ATOM 0 HD2 PHE B 118 53.173 25.140 73.114 1.00 21.93 H new ATOM 0 HE1 PHE B 118 49.250 25.075 75.560 1.00 23.78 H new ATOM 0 HE2 PHE B 118 52.653 26.895 74.516 1.00 21.76 H new ATOM 0 HZ PHE B 118 50.720 26.841 75.777 1.00 23.12 H new ATOM 2607 N ASN B 119 53.241 19.899 71.860 1.00 27.18 N ANISOU 2607 N ASN B 119 3048 3464 3816 -1290 -569 379 N ATOM 2608 CA ASN B 119 53.140 18.638 71.137 1.00 28.92 C ANISOU 2608 CA ASN B 119 3668 3420 3899 -1506 -556 387 C ATOM 2609 C ASN B 119 53.419 17.395 71.967 1.00 29.55 C ANISOU 2609 C ASN B 119 3827 3384 4017 -1753 -386 329 C ATOM 2610 O ASN B 119 52.846 16.357 71.708 1.00 29.60 O ANISOU 2610 O ASN B 119 3776 3312 4158 -2035 -78 240 O ATOM 2611 CB ASN B 119 54.066 18.646 69.921 1.00 29.36 C ANISOU 2611 CB ASN B 119 4049 3129 3976 -1595 -594 336 C ATOM 2612 CG ASN B 119 53.536 19.516 68.810 1.00 29.55 C ANISOU 2612 CG ASN B 119 3773 3346 4107 -1608 -748 397 C ATOM 2613 OD1 ASN B 119 52.672 19.100 68.053 1.00 29.59 O ANISOU 2613 OD1 ASN B 119 3810 3374 4058 -1985 -734 259 O ATOM 2614 ND2 ASN B 119 54.030 20.727 68.717 1.00 30.66 N ANISOU 2614 ND2 ASN B 119 4145 3393 4112 -1690 -925 696 N ATOM 0 H ASN B 119 54.009 20.283 71.816 1.00 27.18 H new ATOM 0 HA ASN B 119 52.209 18.580 70.870 1.00 28.92 H new ATOM 0 HB2 ASN B 119 54.944 18.962 70.187 1.00 29.36 H new ATOM 0 HB3 ASN B 119 54.177 17.739 69.595 1.00 29.36 H new ATOM 0 HD21 ASN B 119 53.746 21.261 68.106 1.00 30.66 H new ATOM 0 HD22 ASN B 119 54.638 20.987 69.267 1.00 30.66 H new ATOM 2615 N HIS B 120 54.291 17.482 72.958 1.00 27.48 N ANISOU 2615 N HIS B 120 3438 2964 4038 -1673 -393 290 N ATOM 2616 CA HIS B 120 54.747 16.259 73.644 1.00 30.78 C ANISOU 2616 CA HIS B 120 4136 3434 4126 -1398 -339 404 C ATOM 2617 C HIS B 120 54.516 16.230 75.145 1.00 33.20 C ANISOU 2617 C HIS B 120 4677 3694 4243 -1405 -349 652 C ATOM 2618 O HIS B 120 54.349 15.175 75.703 1.00 36.73 O ANISOU 2618 O HIS B 120 5480 3918 4556 -1789 -239 739 O ATOM 2619 CB HIS B 120 56.229 16.023 73.354 1.00 31.31 C ANISOU 2619 CB HIS B 120 4069 3507 4322 -1961 -231 324 C ATOM 2620 CG HIS B 120 56.533 15.957 71.893 1.00 34.34 C ANISOU 2620 CG HIS B 120 4619 3722 4707 -1822 -110 246 C ATOM 2621 ND1 HIS B 120 55.989 14.997 71.070 1.00 34.87 N ANISOU 2621 ND1 HIS B 120 4786 3473 4990 -2124 4 259 N ATOM 2622 CD2 HIS B 120 57.288 16.754 71.100 1.00 33.98 C ANISOU 2622 CD2 HIS B 120 5070 3019 4821 -1857 -218 151 C ATOM 2623 CE1 HIS B 120 56.396 15.202 69.826 1.00 36.86 C ANISOU 2623 CE1 HIS B 120 4941 3928 5136 -1866 -11 167 C ATOM 2624 NE2 HIS B 120 57.191 16.263 69.818 1.00 35.88 N ANISOU 2624 NE2 HIS B 120 5317 3260 5055 -1584 -278 35 N ATOM 0 H HIS B 120 54.631 18.216 73.251 1.00 27.48 H new ATOM 0 HA HIS B 120 54.196 15.547 73.283 1.00 30.78 H new ATOM 0 HB2 HIS B 120 56.750 16.736 73.756 1.00 31.31 H new ATOM 0 HB3 HIS B 120 56.508 15.195 73.775 1.00 31.31 H new ATOM 0 HD2 HIS B 120 57.780 17.495 71.371 1.00 33.98 H new ATOM 0 HE1 HIS B 120 56.164 14.690 69.085 1.00 36.86 H new ATOM 0 HE2 HIS B 120 57.582 16.591 69.126 1.00 35.88 H new ATOM 2625 N ALA B 121 54.507 17.387 75.788 1.00 31.11 N ANISOU 2625 N ALA B 121 4034 3741 4044 -1499 -351 805 N ATOM 2626 CA ALA B 121 54.456 17.436 77.243 1.00 28.83 C ANISOU 2626 CA ALA B 121 3515 3581 3858 -1454 -286 905 C ATOM 2627 C ALA B 121 53.110 17.862 77.792 1.00 28.10 C ANISOU 2627 C ALA B 121 3119 3712 3846 -1521 -268 1061 C ATOM 2628 O ALA B 121 52.740 17.443 78.870 1.00 31.23 O ANISOU 2628 O ALA B 121 3729 4087 4051 -1621 -393 1471 O ATOM 2629 CB ALA B 121 55.527 18.347 77.772 1.00 29.41 C ANISOU 2629 CB ALA B 121 3539 3842 3794 -1426 -419 744 C ATOM 0 H ALA B 121 54.530 18.156 75.403 1.00 31.11 H new ATOM 0 HA ALA B 121 54.606 16.527 77.546 1.00 28.83 H new ATOM 0 HB1 ALA B 121 55.482 18.371 78.741 1.00 29.41 H new ATOM 0 HB2 ALA B 121 56.397 18.018 77.497 1.00 29.41 H new ATOM 0 HB3 ALA B 121 55.394 19.241 77.421 1.00 29.41 H new ATOM 2630 N ALA B 122 52.373 18.698 77.076 1.00 25.27 N ANISOU 2630 N ALA B 122 2718 3178 3705 -1613 -216 748 N ATOM 2631 CA ALA B 122 51.112 19.203 77.606 1.00 25.84 C ANISOU 2631 CA ALA B 122 2595 3483 3739 -1589 -151 809 C ATOM 2632 C ALA B 122 50.114 18.062 77.841 1.00 28.51 C ANISOU 2632 C ALA B 122 3123 3733 3975 -1765 -47 894 C ATOM 2633 O ALA B 122 50.001 17.174 77.016 1.00 29.39 O ANISOU 2633 O ALA B 122 3515 3559 4094 -1757 -245 904 O ATOM 2634 CB ALA B 122 50.511 20.219 76.660 1.00 26.12 C ANISOU 2634 CB ALA B 122 2578 3681 3666 -1662 -316 883 C ATOM 0 H ALA B 122 52.579 18.983 76.291 1.00 25.27 H new ATOM 0 HA ALA B 122 51.298 19.629 78.457 1.00 25.84 H new ATOM 0 HB1 ALA B 122 49.674 20.546 77.025 1.00 26.12 H new ATOM 0 HB2 ALA B 122 51.126 20.961 76.548 1.00 26.12 H new ATOM 0 HB3 ALA B 122 50.347 19.803 75.799 1.00 26.12 H new ATOM 2635 N PRO B 123 49.369 18.102 78.961 1.00 30.12 N ANISOU 2635 N PRO B 123 3080 4213 4152 -1757 54 934 N ATOM 2636 CA PRO B 123 48.396 17.063 79.241 1.00 31.38 C ANISOU 2636 CA PRO B 123 3216 4255 4452 -1942 -49 1071 C ATOM 2637 C PRO B 123 47.125 17.212 78.403 1.00 35.49 C ANISOU 2637 C PRO B 123 3618 4870 4998 -1979 -105 1214 C ATOM 2638 O PRO B 123 46.285 16.339 78.418 1.00 37.68 O ANISOU 2638 O PRO B 123 4029 5076 5213 -2398 -177 1285 O ATOM 2639 CB PRO B 123 48.079 17.276 80.723 1.00 32.98 C ANISOU 2639 CB PRO B 123 3639 4609 4283 -2104 -20 1064 C ATOM 2640 CG PRO B 123 48.280 18.737 80.929 1.00 33.52 C ANISOU 2640 CG PRO B 123 3763 4790 4184 -1672 128 945 C ATOM 2641 CD PRO B 123 49.432 19.108 80.038 1.00 31.65 C ANISOU 2641 CD PRO B 123 3204 4697 4124 -1430 120 891 C ATOM 0 HA PRO B 123 48.737 16.180 79.030 1.00 31.38 H new ATOM 0 HB2 PRO B 123 47.170 17.009 80.934 1.00 32.98 H new ATOM 0 HB3 PRO B 123 48.667 16.753 81.291 1.00 32.98 H new ATOM 0 HG2 PRO B 123 47.482 19.236 80.696 1.00 33.52 H new ATOM 0 HG3 PRO B 123 48.478 18.936 81.858 1.00 33.52 H new ATOM 0 HD2 PRO B 123 49.340 20.009 79.691 1.00 31.65 H new ATOM 0 HD3 PRO B 123 50.277 19.071 80.512 1.00 31.65 H new ATOM 2642 N GLN B 124 46.975 18.321 77.702 1.00 37.22 N ANISOU 2642 N GLN B 124 3770 5248 5123 -1884 -26 1326 N ATOM 2643 CA GLN B 124 45.873 18.404 76.768 1.00 40.89 C ANISOU 2643 CA GLN B 124 4085 6102 5348 -1531 33 1349 C ATOM 2644 C GLN B 124 46.370 18.853 75.417 1.00 35.07 C ANISOU 2644 C GLN B 124 3371 5117 4837 -1823 -249 1200 C ATOM 2645 O GLN B 124 47.388 19.541 75.292 1.00 33.33 O ANISOU 2645 O GLN B 124 3232 4780 4652 -1831 -301 1106 O ATOM 2646 CB GLN B 124 44.767 19.335 77.268 1.00 51.14 C ANISOU 2646 CB GLN B 124 5499 7871 6062 -934 261 1447 C ATOM 2647 CG GLN B 124 45.193 20.364 78.295 1.00 59.63 C ANISOU 2647 CG GLN B 124 7176 8770 6711 -858 222 1400 C ATOM 2648 CD GLN B 124 44.015 21.170 78.815 1.00 61.45 C ANISOU 2648 CD GLN B 124 7342 8804 7204 -1334 -62 1273 C ATOM 2649 OE1 GLN B 124 43.159 21.615 78.044 1.00 62.03 O ANISOU 2649 OE1 GLN B 124 6931 9251 7386 -1158 -421 1330 O ATOM 2650 NE2 GLN B 124 43.954 21.353 80.134 1.00 61.03 N ANISOU 2650 NE2 GLN B 124 7520 8285 7382 -2142 18 1108 N ATOM 0 H GLN B 124 47.481 19.015 77.749 1.00 37.22 H new ATOM 0 HA GLN B 124 45.488 17.517 76.688 1.00 40.89 H new ATOM 0 HB2 GLN B 124 44.388 19.800 76.506 1.00 51.14 H new ATOM 0 HB3 GLN B 124 44.059 18.794 77.650 1.00 51.14 H new ATOM 0 HG2 GLN B 124 45.631 19.918 79.036 1.00 59.63 H new ATOM 0 HG3 GLN B 124 45.845 20.964 77.900 1.00 59.63 H new ATOM 0 HE21 GLN B 124 44.568 21.029 80.642 1.00 61.03 H new ATOM 0 HE22 GLN B 124 43.301 21.795 80.477 1.00 61.03 H new ATOM 2651 N THR B 125 45.645 18.434 74.397 1.00 33.50 N ANISOU 2651 N THR B 125 3258 4752 4718 -1934 -447 1129 N ATOM 2652 CA THR B 125 45.979 18.829 73.035 1.00 33.96 C ANISOU 2652 CA THR B 125 3338 4861 4706 -1889 -486 941 C ATOM 2653 C THR B 125 45.271 20.131 72.706 1.00 31.85 C ANISOU 2653 C THR B 125 2873 4750 4480 -1881 -456 996 C ATOM 2654 O THR B 125 44.050 20.201 72.732 1.00 33.58 O ANISOU 2654 O THR B 125 2884 5258 4618 -1900 -356 1307 O ATOM 2655 CB THR B 125 45.561 17.746 72.053 1.00 37.16 C ANISOU 2655 CB THR B 125 4421 4655 5043 -1960 -427 737 C ATOM 2656 OG1 THR B 125 46.284 16.563 72.377 1.00 39.61 O ANISOU 2656 OG1 THR B 125 5099 4706 5244 -2107 -543 1233 O ATOM 2657 CG2 THR B 125 45.870 18.156 70.611 1.00 35.98 C ANISOU 2657 CG2 THR B 125 4323 4348 4998 -2467 -70 138 C ATOM 0 H THR B 125 44.957 17.922 74.467 1.00 33.50 H new ATOM 0 HA THR B 125 46.938 18.953 72.964 1.00 33.96 H new ATOM 0 HB THR B 125 44.604 17.601 72.120 1.00 37.16 H new ATOM 0 HG1 THR B 125 46.068 15.948 71.847 1.00 39.61 H new ATOM 0 HG21 THR B 125 45.594 17.449 70.007 1.00 35.98 H new ATOM 0 HG22 THR B 125 45.389 18.970 70.396 1.00 35.98 H new ATOM 0 HG23 THR B 125 46.823 18.309 70.515 1.00 35.98 H new ATOM 2658 N ILE B 126 46.047 21.158 72.369 1.00 29.64 N ANISOU 2658 N ILE B 126 2624 4416 4220 -1745 -594 784 N ATOM 2659 CA ILE B 126 45.506 22.489 72.149 1.00 29.59 C ANISOU 2659 CA ILE B 126 2720 4436 4088 -1757 -488 756 C ATOM 2660 C ILE B 126 45.879 22.955 70.726 1.00 28.77 C ANISOU 2660 C ILE B 126 2521 4423 3988 -1733 -508 655 C ATOM 2661 O ILE B 126 46.934 23.519 70.500 1.00 27.02 O ANISOU 2661 O ILE B 126 2393 4183 3691 -1698 -414 539 O ATOM 2662 CB ILE B 126 46.046 23.465 73.198 1.00 32.86 C ANISOU 2662 CB ILE B 126 3393 4883 4209 -1387 -144 921 C ATOM 2663 CG1 ILE B 126 45.732 22.928 74.597 1.00 40.31 C ANISOU 2663 CG1 ILE B 126 4942 5717 4657 -950 -370 1032 C ATOM 2664 CG2 ILE B 126 45.419 24.839 73.013 1.00 34.01 C ANISOU 2664 CG2 ILE B 126 3726 5193 4005 -1210 591 936 C ATOM 2665 CD1 ILE B 126 46.252 23.805 75.695 1.00 43.12 C ANISOU 2665 CD1 ILE B 126 4500 6929 4956 -1872 -15 786 C ATOM 0 H ILE B 126 46.898 21.100 72.263 1.00 29.64 H new ATOM 0 HA ILE B 126 44.540 22.465 72.235 1.00 29.59 H new ATOM 0 HB ILE B 126 47.006 23.549 73.092 1.00 32.86 H new ATOM 0 HG12 ILE B 126 44.771 22.834 74.693 1.00 40.31 H new ATOM 0 HG13 ILE B 126 46.114 22.041 74.690 1.00 40.31 H new ATOM 0 HG21 ILE B 126 45.769 25.447 73.683 1.00 34.01 H new ATOM 0 HG22 ILE B 126 45.632 25.176 72.128 1.00 34.01 H new ATOM 0 HG23 ILE B 126 44.456 24.771 73.110 1.00 34.01 H new ATOM 0 HD11 ILE B 126 46.025 23.417 76.554 1.00 43.12 H new ATOM 0 HD12 ILE B 126 47.216 23.881 75.620 1.00 43.12 H new ATOM 0 HD13 ILE B 126 45.852 24.686 75.623 1.00 43.12 H new ATOM 2666 N PRO B 127 45.004 22.686 69.762 1.00 30.06 N ANISOU 2666 N PRO B 127 2627 4370 4426 -1747 -589 595 N ATOM 2667 CA PRO B 127 45.358 22.925 68.350 1.00 30.25 C ANISOU 2667 CA PRO B 127 2757 4289 4449 -1786 -483 318 C ATOM 2668 C PRO B 127 45.778 24.360 68.024 1.00 27.71 C ANISOU 2668 C PRO B 127 2322 4087 4121 -1490 -529 324 C ATOM 2669 O PRO B 127 46.663 24.575 67.190 1.00 26.55 O ANISOU 2669 O PRO B 127 2206 3915 3968 -963 -617 501 O ATOM 2670 CB PRO B 127 44.080 22.544 67.612 1.00 31.04 C ANISOU 2670 CB PRO B 127 2539 4512 4742 -1714 -532 247 C ATOM 2671 CG PRO B 127 43.444 21.499 68.502 1.00 32.63 C ANISOU 2671 CG PRO B 127 3037 4548 4814 -1716 -749 438 C ATOM 2672 CD PRO B 127 43.721 21.969 69.902 1.00 31.81 C ANISOU 2672 CD PRO B 127 2642 4674 4772 -1692 -751 710 C ATOM 0 HA PRO B 127 46.142 22.413 68.097 1.00 30.25 H new ATOM 0 HB2 PRO B 127 43.497 23.310 67.491 1.00 31.04 H new ATOM 0 HB3 PRO B 127 44.271 22.191 66.729 1.00 31.04 H new ATOM 0 HG2 PRO B 127 42.491 21.428 68.336 1.00 32.63 H new ATOM 0 HG3 PRO B 127 43.826 20.621 68.343 1.00 32.63 H new ATOM 0 HD2 PRO B 127 43.018 22.551 70.231 1.00 31.81 H new ATOM 0 HD3 PRO B 127 43.790 21.227 70.523 1.00 31.81 H new ATOM 2673 N TYR B 128 45.145 25.338 68.667 1.00 28.38 N ANISOU 2673 N TYR B 128 2464 4283 4038 -1572 -555 280 N ATOM 2674 CA TYR B 128 45.527 26.725 68.434 1.00 27.29 C ANISOU 2674 CA TYR B 128 2233 4254 3882 -1230 -415 450 C ATOM 2675 C TYR B 128 47.007 26.967 68.794 1.00 26.28 C ANISOU 2675 C TYR B 128 2138 4187 3661 -1109 -362 532 C ATOM 2676 O TYR B 128 47.764 27.604 68.037 1.00 25.76 O ANISOU 2676 O TYR B 128 2154 4023 3611 -1179 -402 430 O ATOM 2677 CB TYR B 128 44.616 27.695 69.211 1.00 26.27 C ANISOU 2677 CB TYR B 128 1690 4385 3908 -962 -230 557 C ATOM 2678 CG TYR B 128 45.061 29.127 69.052 1.00 26.83 C ANISOU 2678 CG TYR B 128 1951 4338 3907 -1040 -298 522 C ATOM 2679 CD1 TYR B 128 44.616 29.908 67.972 1.00 29.78 C ANISOU 2679 CD1 TYR B 128 2415 4776 4123 -1019 -534 487 C ATOM 2680 CD2 TYR B 128 45.940 29.705 69.960 1.00 26.47 C ANISOU 2680 CD2 TYR B 128 2029 4238 3791 -1081 -264 525 C ATOM 2681 CE1 TYR B 128 45.065 31.221 67.807 1.00 29.49 C ANISOU 2681 CE1 TYR B 128 2391 4689 4123 -655 -652 537 C ATOM 2682 CE2 TYR B 128 46.395 31.014 69.805 1.00 27.40 C ANISOU 2682 CE2 TYR B 128 2595 4021 3793 -1071 -341 534 C ATOM 2683 CZ TYR B 128 45.944 31.772 68.737 1.00 27.57 C ANISOU 2683 CZ TYR B 128 2295 4303 3879 -893 -680 549 C ATOM 2684 OH TYR B 128 46.410 33.066 68.582 1.00 27.96 O ANISOU 2684 OH TYR B 128 2737 4080 3805 -686 -1091 544 O ATOM 0 H TYR B 128 44.505 25.223 69.230 1.00 28.38 H new ATOM 0 HA TYR B 128 45.415 26.900 67.486 1.00 27.29 H new ATOM 0 HB2 TYR B 128 43.703 27.603 68.897 1.00 26.27 H new ATOM 0 HB3 TYR B 128 44.618 27.458 70.152 1.00 26.27 H new ATOM 0 HD1 TYR B 128 44.016 29.547 67.360 1.00 29.78 H new ATOM 0 HD2 TYR B 128 46.232 29.207 70.689 1.00 26.47 H new ATOM 0 HE1 TYR B 128 44.778 31.725 67.080 1.00 29.49 H new ATOM 0 HE2 TYR B 128 46.997 31.376 70.415 1.00 27.40 H new ATOM 0 HH TYR B 128 46.762 33.325 69.299 1.00 27.96 H new ATOM 2685 N ALA B 129 47.412 26.480 69.961 1.00 24.75 N ANISOU 2685 N ALA B 129 2018 3851 3533 -1286 -182 670 N ATOM 2686 CA ALA B 129 48.763 26.682 70.465 1.00 23.73 C ANISOU 2686 CA ALA B 129 1847 3834 3335 -987 -207 675 C ATOM 2687 C ALA B 129 49.766 25.850 69.667 1.00 21.74 C ANISOU 2687 C ALA B 129 1821 3334 3104 -1119 -305 566 C ATOM 2688 O ALA B 129 50.840 26.304 69.361 1.00 20.92 O ANISOU 2688 O ALA B 129 1694 3298 2955 -1043 -489 504 O ATOM 2689 CB ALA B 129 48.849 26.319 71.933 1.00 24.73 C ANISOU 2689 CB ALA B 129 2104 3955 3337 -631 -317 793 C ATOM 0 H ALA B 129 46.908 26.021 70.485 1.00 24.75 H new ATOM 0 HA ALA B 129 48.982 27.621 70.362 1.00 23.73 H new ATOM 0 HB1 ALA B 129 49.755 26.460 72.249 1.00 24.73 H new ATOM 0 HB2 ALA B 129 48.239 26.877 72.441 1.00 24.73 H new ATOM 0 HB3 ALA B 129 48.608 25.387 72.051 1.00 24.73 H new ATOM 2690 N ILE B 130 49.375 24.642 69.311 1.00 22.22 N ANISOU 2690 N ILE B 130 2079 3190 3175 -1334 -305 549 N ATOM 2691 CA ILE B 130 50.221 23.778 68.496 1.00 23.26 C ANISOU 2691 CA ILE B 130 2270 3193 3374 -1484 -342 452 C ATOM 2692 C ILE B 130 50.499 24.473 67.154 1.00 23.79 C ANISOU 2692 C ILE B 130 2173 3509 3356 -1368 -431 512 C ATOM 2693 O ILE B 130 51.626 24.501 66.692 1.00 22.14 O ANISOU 2693 O ILE B 130 2096 3167 3150 -1353 -492 443 O ATOM 2694 CB ILE B 130 49.534 22.413 68.279 1.00 24.73 C ANISOU 2694 CB ILE B 130 2499 3243 3656 -1622 -272 397 C ATOM 2695 CG1 ILE B 130 49.615 21.575 69.564 1.00 25.05 C ANISOU 2695 CG1 ILE B 130 2613 3263 3643 -1642 -288 397 C ATOM 2696 CG2 ILE B 130 50.188 21.649 67.145 1.00 27.69 C ANISOU 2696 CG2 ILE B 130 3142 3506 3873 -1913 -110 489 C ATOM 2697 CD1 ILE B 130 48.682 20.368 69.590 1.00 25.40 C ANISOU 2697 CD1 ILE B 130 2648 3376 3625 -1699 -230 521 C ATOM 0 H ILE B 130 48.619 24.297 69.530 1.00 22.22 H new ATOM 0 HA ILE B 130 51.063 23.618 68.950 1.00 23.26 H new ATOM 0 HB ILE B 130 48.606 22.578 68.050 1.00 24.73 H new ATOM 0 HG12 ILE B 130 50.528 21.267 69.679 1.00 25.05 H new ATOM 0 HG13 ILE B 130 49.410 22.145 70.322 1.00 25.05 H new ATOM 0 HG21 ILE B 130 49.740 20.797 67.028 1.00 27.69 H new ATOM 0 HG22 ILE B 130 50.120 22.164 66.326 1.00 27.69 H new ATOM 0 HG23 ILE B 130 51.123 21.496 67.354 1.00 27.69 H new ATOM 0 HD11 ILE B 130 48.791 19.893 70.428 1.00 25.40 H new ATOM 0 HD12 ILE B 130 47.763 20.667 69.505 1.00 25.40 H new ATOM 0 HD13 ILE B 130 48.898 19.776 68.853 1.00 25.40 H new ATOM 2698 N GLU B 131 49.447 25.037 66.567 1.00 24.14 N ANISOU 2698 N GLU B 131 3076 3076 3020 0 0 0 N ATOM 2699 CA GLU B 131 49.545 25.714 65.278 1.00 24.06 C ANISOU 2699 CA GLU B 131 3058 3058 3024 0 0 0 C ATOM 2700 C GLU B 131 50.400 26.969 65.383 1.00 21.54 C ANISOU 2700 C GLU B 131 2693 2693 2797 0 0 0 C ATOM 2701 O GLU B 131 51.291 27.189 64.565 1.00 20.71 O ANISOU 2701 O GLU B 131 2607 2607 2656 0 0 0 O ATOM 2702 CB GLU B 131 48.151 26.068 64.755 1.00 27.04 C ANISOU 2702 CB GLU B 131 3362 3362 3551 0 0 0 C ATOM 2703 CG GLU B 131 48.117 27.032 63.564 1.00 31.23 C ANISOU 2703 CG GLU B 131 3906 3906 4055 0 0 0 C ATOM 2704 CD GLU B 131 48.452 26.359 62.246 1.00 36.24 C ANISOU 2704 CD GLU B 131 4655 4655 4461 0 0 0 C ATOM 2705 OE1 GLU B 131 48.920 25.197 62.269 1.00 38.25 O ANISOU 2705 OE1 GLU B 131 4990 4990 4554 0 0 0 O ATOM 2706 OE2 GLU B 131 48.241 26.991 61.183 1.00 37.94 O ANISOU 2706 OE2 GLU B 131 4929 4929 4557 0 0 0 O ATOM 0 H GLU B 131 48.656 25.038 66.905 1.00 24.14 H new ATOM 0 HA GLU B 131 49.972 25.108 64.652 1.00 24.06 H new ATOM 0 HB2 GLU B 131 47.701 25.248 64.500 1.00 27.04 H new ATOM 0 HB3 GLU B 131 47.640 26.458 65.481 1.00 27.04 H new ATOM 0 HG2 GLU B 131 47.235 27.431 63.503 1.00 31.23 H new ATOM 0 HG3 GLU B 131 48.745 27.754 63.721 1.00 31.23 H new ATOM 2707 N ARG B 132 50.117 27.782 66.390 1.00 22.01 N ANISOU 2707 N ARG B 132 1963 3314 3086 -1139 -656 426 N ATOM 2708 CA ARG B 132 50.904 28.988 66.626 1.00 20.77 C ANISOU 2708 CA ARG B 132 1726 3247 2920 -1007 -560 387 C ATOM 2709 C ARG B 132 52.391 28.697 66.630 1.00 19.61 C ANISOU 2709 C ARG B 132 1766 2996 2688 -814 -496 438 C ATOM 2710 O ARG B 132 53.162 29.382 65.955 1.00 19.73 O ANISOU 2710 O ARG B 132 1857 3040 2598 -676 -528 568 O ATOM 2711 CB ARG B 132 50.482 29.656 67.945 1.00 21.24 C ANISOU 2711 CB ARG B 132 1707 3305 3060 -897 -500 303 C ATOM 2712 CG ARG B 132 51.377 30.809 68.390 1.00 21.04 C ANISOU 2712 CG ARG B 132 1493 3286 3215 -771 -337 305 C ATOM 2713 CD ARG B 132 50.746 31.527 69.584 1.00 22.79 C ANISOU 2713 CD ARG B 132 1617 3738 3306 -761 -143 300 C ATOM 2714 NE ARG B 132 51.675 32.477 70.196 1.00 23.21 N ANISOU 2714 NE ARG B 132 1750 3668 3402 -457 -154 279 N ATOM 2715 CZ ARG B 132 51.885 33.715 69.752 1.00 23.43 C ANISOU 2715 CZ ARG B 132 1779 3696 3429 -506 -134 257 C ATOM 2716 NH1 ARG B 132 51.231 34.167 68.683 1.00 24.09 N ANISOU 2716 NH1 ARG B 132 1714 3963 3477 -587 -182 402 N ATOM 2717 NH2 ARG B 132 52.764 34.505 70.376 1.00 23.53 N ANISOU 2717 NH2 ARG B 132 1900 3646 3394 -515 -26 57 N ATOM 0 H ARG B 132 49.475 27.656 66.949 1.00 22.01 H new ATOM 0 HA ARG B 132 50.728 29.600 65.894 1.00 20.77 H new ATOM 0 HB2 ARG B 132 49.574 29.985 67.851 1.00 21.24 H new ATOM 0 HB3 ARG B 132 50.469 28.984 68.644 1.00 21.24 H new ATOM 0 HG2 ARG B 132 52.254 30.473 68.631 1.00 21.04 H new ATOM 0 HG3 ARG B 132 51.503 31.432 67.658 1.00 21.04 H new ATOM 0 HD2 ARG B 132 49.947 31.995 69.295 1.00 22.79 H new ATOM 0 HD3 ARG B 132 50.468 30.874 70.245 1.00 22.79 H new ATOM 0 HE ARG B 132 52.115 32.219 70.889 1.00 23.21 H new ATOM 0 HH11 ARG B 132 50.670 33.659 68.276 1.00 24.09 H new ATOM 0 HH12 ARG B 132 51.370 34.967 68.400 1.00 24.09 H new ATOM 0 HH21 ARG B 132 53.192 34.214 71.062 1.00 23.53 H new ATOM 0 HH22 ARG B 132 52.901 35.305 70.091 1.00 23.53 H new ATOM 2718 N TYR B 133 52.825 27.699 67.394 1.00 18.32 N ANISOU 2718 N TYR B 133 1672 2695 2592 -955 -424 295 N ATOM 2719 CA TYR B 133 54.248 27.472 67.527 1.00 18.33 C ANISOU 2719 CA TYR B 133 1751 2650 2563 -876 -435 192 C ATOM 2720 C TYR B 133 54.788 26.651 66.374 1.00 19.79 C ANISOU 2720 C TYR B 133 2012 2964 2544 -839 -482 137 C ATOM 2721 O TYR B 133 55.989 26.710 66.113 1.00 18.81 O ANISOU 2721 O TYR B 133 2042 2667 2439 -671 -491 167 O ATOM 2722 CB TYR B 133 54.586 26.844 68.895 1.00 19.00 C ANISOU 2722 CB TYR B 133 1934 2768 2518 -879 -353 236 C ATOM 2723 CG TYR B 133 54.230 27.837 69.981 1.00 18.93 C ANISOU 2723 CG TYR B 133 1799 2890 2504 -880 -304 303 C ATOM 2724 CD1 TYR B 133 54.891 29.051 70.057 1.00 18.19 C ANISOU 2724 CD1 TYR B 133 1685 2754 2472 -809 -256 338 C ATOM 2725 CD2 TYR B 133 53.199 27.595 70.885 1.00 19.72 C ANISOU 2725 CD2 TYR B 133 1878 3056 2558 -1218 -297 379 C ATOM 2726 CE1 TYR B 133 54.527 30.002 70.997 1.00 17.89 C ANISOU 2726 CE1 TYR B 133 1691 2636 2471 -874 -128 284 C ATOM 2727 CE2 TYR B 133 52.821 28.550 71.821 1.00 19.91 C ANISOU 2727 CE2 TYR B 133 1742 3179 2644 -1046 -187 420 C ATOM 2728 CZ TYR B 133 53.518 29.759 71.876 1.00 20.16 C ANISOU 2728 CZ TYR B 133 1872 3170 2616 -1089 8 310 C ATOM 2729 OH TYR B 133 53.143 30.737 72.778 1.00 20.81 O ANISOU 2729 OH TYR B 133 1836 3342 2730 -938 234 268 O ATOM 0 H TYR B 133 52.321 27.157 67.832 1.00 18.32 H new ATOM 0 HA TYR B 133 54.692 28.334 67.490 1.00 18.33 H new ATOM 0 HB2 TYR B 133 54.092 26.018 69.018 1.00 19.00 H new ATOM 0 HB3 TYR B 133 55.529 26.620 68.939 1.00 19.00 H new ATOM 0 HD1 TYR B 133 55.589 29.231 69.469 1.00 18.19 H new ATOM 0 HD2 TYR B 133 52.755 26.778 70.862 1.00 19.72 H new ATOM 0 HE1 TYR B 133 54.977 30.815 71.027 1.00 17.89 H new ATOM 0 HE2 TYR B 133 52.114 28.386 72.403 1.00 19.91 H new ATOM 0 HH TYR B 133 53.738 31.329 72.813 1.00 20.81 H new ATOM 2730 N GLN B 134 53.912 25.916 65.670 1.00 19.38 N ANISOU 2730 N GLN B 134 2077 2623 2663 -1046 -523 156 N ATOM 2731 CA GLN B 134 54.359 25.223 64.464 1.00 20.36 C ANISOU 2731 CA GLN B 134 2215 2680 2842 -1070 -723 131 C ATOM 2732 C GLN B 134 54.721 26.220 63.366 1.00 20.13 C ANISOU 2732 C GLN B 134 2187 2830 2630 -1066 -749 116 C ATOM 2733 O GLN B 134 55.758 26.125 62.739 1.00 20.13 O ANISOU 2733 O GLN B 134 2418 2611 2619 -1041 -641 96 O ATOM 2734 CB GLN B 134 53.309 24.247 63.938 1.00 22.76 C ANISOU 2734 CB GLN B 134 2430 2927 3290 -1199 -756 -2 C ATOM 2735 CG GLN B 134 53.898 23.254 62.967 1.00 27.12 C ANISOU 2735 CG GLN B 134 3244 3315 3746 -1381 -668 -133 C ATOM 2736 CD GLN B 134 54.935 22.336 63.638 1.00 32.12 C ANISOU 2736 CD GLN B 134 3847 4128 4229 -1137 -567 -75 C ATOM 2737 OE1 GLN B 134 54.796 21.965 64.814 1.00 35.35 O ANISOU 2737 OE1 GLN B 134 4527 4518 4386 -904 -796 -113 O ATOM 2738 NE2 GLN B 134 55.966 21.959 62.888 1.00 35.06 N ANISOU 2738 NE2 GLN B 134 4164 4744 4414 -1393 -175 113 N ATOM 0 H GLN B 134 53.082 25.811 65.870 1.00 19.38 H new ATOM 0 HA GLN B 134 55.147 24.714 64.712 1.00 20.36 H new ATOM 0 HB2 GLN B 134 52.908 23.772 64.683 1.00 22.76 H new ATOM 0 HB3 GLN B 134 52.598 24.742 63.502 1.00 22.76 H new ATOM 0 HG2 GLN B 134 53.187 22.714 62.587 1.00 27.12 H new ATOM 0 HG3 GLN B 134 54.316 23.730 62.233 1.00 27.12 H new ATOM 0 HE21 GLN B 134 56.031 22.235 62.076 1.00 35.06 H new ATOM 0 HE22 GLN B 134 56.568 21.439 63.215 1.00 35.06 H new ATOM 2739 N VAL B 135 53.816 27.167 63.142 1.00 19.73 N ANISOU 2739 N VAL B 135 2104 2847 2547 -1113 -763 55 N ATOM 2740 CA VAL B 135 53.988 28.183 62.140 1.00 20.33 C ANISOU 2740 CA VAL B 135 2155 2978 2592 -880 -732 47 C ATOM 2741 C VAL B 135 55.227 29.012 62.481 1.00 18.94 C ANISOU 2741 C VAL B 135 2011 2789 2396 -720 -637 128 C ATOM 2742 O VAL B 135 56.032 29.338 61.608 1.00 19.25 O ANISOU 2742 O VAL B 135 2203 2763 2348 -636 -581 148 O ATOM 2743 CB VAL B 135 52.731 29.071 62.020 1.00 22.51 C ANISOU 2743 CB VAL B 135 2193 3459 2901 -732 -737 81 C ATOM 2744 CG1 VAL B 135 53.002 30.300 61.173 1.00 26.57 C ANISOU 2744 CG1 VAL B 135 3028 4035 3033 -208 -709 330 C ATOM 2745 CG2 VAL B 135 51.585 28.281 61.410 1.00 23.83 C ANISOU 2745 CG2 VAL B 135 2339 3755 2962 -811 -813 -45 C ATOM 0 H VAL B 135 53.078 27.230 63.579 1.00 19.73 H new ATOM 0 HA VAL B 135 54.115 27.762 61.276 1.00 20.33 H new ATOM 0 HB VAL B 135 52.489 29.360 62.914 1.00 22.51 H new ATOM 0 HG11 VAL B 135 52.197 30.838 61.115 1.00 26.57 H new ATOM 0 HG12 VAL B 135 53.711 30.823 61.579 1.00 26.57 H new ATOM 0 HG13 VAL B 135 53.272 30.026 60.282 1.00 26.57 H new ATOM 0 HG21 VAL B 135 50.802 28.849 61.340 1.00 23.83 H new ATOM 0 HG22 VAL B 135 51.839 27.971 60.527 1.00 23.83 H new ATOM 0 HG23 VAL B 135 51.381 27.518 61.974 1.00 23.83 H new ATOM 2746 N GLU B 136 55.387 29.329 63.754 1.00 17.72 N ANISOU 2746 N GLU B 136 1793 2593 2348 -639 -535 165 N ATOM 2747 CA GLU B 136 56.515 30.147 64.161 1.00 17.42 C ANISOU 2747 CA GLU B 136 1749 2534 2334 -498 -401 149 C ATOM 2748 C GLU B 136 57.811 29.338 63.991 1.00 17.95 C ANISOU 2748 C GLU B 136 2008 2494 2320 -385 -341 104 C ATOM 2749 O GLU B 136 58.830 29.895 63.603 1.00 18.74 O ANISOU 2749 O GLU B 136 2223 2550 2348 -401 -258 133 O ATOM 2750 CB GLU B 136 56.355 30.631 65.589 1.00 17.36 C ANISOU 2750 CB GLU B 136 1648 2593 2354 -394 -223 175 C ATOM 2751 CG GLU B 136 57.569 31.359 66.158 1.00 18.78 C ANISOU 2751 CG GLU B 136 1979 2724 2433 -426 -246 181 C ATOM 2752 CD GLU B 136 57.997 32.603 65.383 1.00 19.31 C ANISOU 2752 CD GLU B 136 2076 2729 2533 -327 -279 234 C ATOM 2753 OE1 GLU B 136 57.206 33.102 64.516 1.00 20.60 O ANISOU 2753 OE1 GLU B 136 2350 2815 2663 -620 -358 279 O ATOM 2754 OE2 GLU B 136 59.124 33.113 65.677 1.00 18.06 O ANISOU 2754 OE2 GLU B 136 1989 2327 2545 -206 -214 223 O ATOM 0 H GLU B 136 54.863 29.085 64.390 1.00 17.72 H new ATOM 0 HA GLU B 136 56.555 30.935 63.597 1.00 17.42 H new ATOM 0 HB2 GLU B 136 55.589 31.224 65.632 1.00 17.36 H new ATOM 0 HB3 GLU B 136 56.156 29.869 66.155 1.00 17.36 H new ATOM 0 HG2 GLU B 136 57.376 31.615 67.073 1.00 18.78 H new ATOM 0 HG3 GLU B 136 58.316 30.740 66.188 1.00 18.78 H new ATOM 2755 N THR B 137 57.761 28.044 64.258 1.00 17.95 N ANISOU 2755 N THR B 137 2108 2431 2283 -550 -262 79 N ATOM 2756 CA THR B 137 58.937 27.157 64.075 1.00 17.87 C ANISOU 2756 CA THR B 137 2268 2240 2281 -523 -327 148 C ATOM 2757 C THR B 137 59.348 27.148 62.583 1.00 18.80 C ANISOU 2757 C THR B 137 2502 2453 2190 -403 -343 102 C ATOM 2758 O THR B 137 60.512 27.320 62.248 1.00 19.03 O ANISOU 2758 O THR B 137 2615 2473 2141 -440 -328 164 O ATOM 2759 CB THR B 137 58.642 25.724 64.545 1.00 18.19 C ANISOU 2759 CB THR B 137 2308 2221 2383 -599 -309 171 C ATOM 2760 OG1 THR B 137 58.399 25.710 65.965 1.00 18.25 O ANISOU 2760 OG1 THR B 137 2302 2242 2389 -838 -340 104 O ATOM 2761 CG2 THR B 137 59.804 24.801 64.236 1.00 19.32 C ANISOU 2761 CG2 THR B 137 2624 2284 2432 -655 -182 171 C ATOM 0 H THR B 137 57.058 27.643 64.549 1.00 17.95 H new ATOM 0 HA THR B 137 59.664 27.502 64.616 1.00 17.87 H new ATOM 0 HB THR B 137 57.855 25.411 64.071 1.00 18.19 H new ATOM 0 HG1 THR B 137 57.579 25.821 66.110 1.00 18.25 H new ATOM 0 HG21 THR B 137 59.595 23.904 64.541 1.00 19.32 H new ATOM 0 HG22 THR B 137 59.962 24.788 63.279 1.00 19.32 H new ATOM 0 HG23 THR B 137 60.600 25.119 64.690 1.00 19.32 H new ATOM 2762 N GLN B 138 58.362 26.998 61.714 1.00 19.51 N ANISOU 2762 N GLN B 138 2670 2556 2188 -880 -374 -54 N ATOM 2763 CA GLN B 138 58.584 27.096 60.271 1.00 20.54 C ANISOU 2763 CA GLN B 138 2917 2600 2286 -610 -486 -52 C ATOM 2764 C GLN B 138 59.185 28.435 59.869 1.00 19.46 C ANISOU 2764 C GLN B 138 2731 2520 2144 -444 -517 -15 C ATOM 2765 O GLN B 138 60.094 28.499 59.043 1.00 19.09 O ANISOU 2765 O GLN B 138 2744 2386 2124 -411 -562 -23 O ATOM 2766 CB GLN B 138 57.298 26.829 59.517 1.00 23.15 C ANISOU 2766 CB GLN B 138 2950 3085 2761 -501 -488 -90 C ATOM 2767 CG GLN B 138 56.896 25.355 59.592 1.00 29.18 C ANISOU 2767 CG GLN B 138 3844 3508 3735 -818 -525 -347 C ATOM 2768 CD GLN B 138 55.501 25.094 59.075 1.00 36.15 C ANISOU 2768 CD GLN B 138 4270 4436 5030 -1050 -1044 -534 C ATOM 2769 OE1 GLN B 138 54.740 26.003 58.847 1.00 38.21 O ANISOU 2769 OE1 GLN B 138 4313 5055 5149 -974 -1256 -196 O ATOM 2770 NE2 GLN B 138 55.173 23.844 58.880 1.00 43.72 N ANISOU 2770 NE2 GLN B 138 5506 5179 5925 -1469 -1466 -1128 N ATOM 0 H GLN B 138 57.547 26.837 61.937 1.00 19.51 H new ATOM 0 HA GLN B 138 59.232 26.415 60.031 1.00 20.54 H new ATOM 0 HB2 GLN B 138 56.587 27.378 59.884 1.00 23.15 H new ATOM 0 HB3 GLN B 138 57.407 27.089 58.589 1.00 23.15 H new ATOM 0 HG2 GLN B 138 57.529 24.826 59.081 1.00 29.18 H new ATOM 0 HG3 GLN B 138 56.955 25.056 60.513 1.00 29.18 H new ATOM 0 HE21 GLN B 138 55.738 23.219 59.052 1.00 43.72 H new ATOM 0 HE22 GLN B 138 54.392 23.646 58.579 1.00 43.72 H new ATOM 2771 N ARG B 139 58.677 29.514 60.457 1.00 18.67 N ANISOU 2771 N ARG B 139 2569 2464 2060 -547 -390 70 N ATOM 2772 CA ARG B 139 59.201 30.837 60.146 1.00 17.84 C ANISOU 2772 CA ARG B 139 2376 2458 1944 -302 -331 170 C ATOM 2773 C ARG B 139 60.668 30.918 60.519 1.00 16.60 C ANISOU 2773 C ARG B 139 2267 2265 1775 -242 -256 247 C ATOM 2774 O ARG B 139 61.489 31.472 59.762 1.00 17.49 O ANISOU 2774 O ARG B 139 2356 2551 1737 -112 -195 286 O ATOM 2775 CB ARG B 139 58.398 31.961 60.858 1.00 17.90 C ANISOU 2775 CB ARG B 139 2303 2500 2000 -161 -430 176 C ATOM 2776 CG ARG B 139 58.689 33.356 60.325 1.00 17.27 C ANISOU 2776 CG ARG B 139 2095 2480 1987 -150 -430 243 C ATOM 2777 CD ARG B 139 58.127 34.453 61.229 1.00 16.30 C ANISOU 2777 CD ARG B 139 1992 2211 1992 -201 -319 325 C ATOM 2778 NE ARG B 139 58.826 34.411 62.516 1.00 15.61 N ANISOU 2778 NE ARG B 139 1830 2070 2031 -65 -237 293 N ATOM 2779 CZ ARG B 139 59.999 34.964 62.766 1.00 15.99 C ANISOU 2779 CZ ARG B 139 1820 2174 2082 -6 -151 271 C ATOM 2780 NH1 ARG B 139 60.619 35.697 61.843 1.00 17.15 N ANISOU 2780 NH1 ARG B 139 2135 2259 2121 -4 -150 342 N ATOM 2781 NH2 ARG B 139 60.548 34.813 63.971 1.00 15.65 N ANISOU 2781 NH2 ARG B 139 1670 2160 2116 -114 -118 255 N ATOM 0 H ARG B 139 58.037 29.502 61.031 1.00 18.67 H new ATOM 0 HA ARG B 139 59.106 30.974 59.190 1.00 17.84 H new ATOM 0 HB2 ARG B 139 57.450 31.779 60.763 1.00 17.90 H new ATOM 0 HB3 ARG B 139 58.598 31.938 61.807 1.00 17.90 H new ATOM 0 HG2 ARG B 139 59.648 33.472 60.237 1.00 17.27 H new ATOM 0 HG3 ARG B 139 58.310 33.446 59.437 1.00 17.27 H new ATOM 0 HD2 ARG B 139 58.241 35.322 60.813 1.00 16.30 H new ATOM 0 HD3 ARG B 139 57.175 34.325 61.360 1.00 16.30 H new ATOM 0 HE ARG B 139 58.441 33.992 63.161 1.00 15.61 H new ATOM 0 HH11 ARG B 139 60.256 35.815 61.072 1.00 17.15 H new ATOM 0 HH12 ARG B 139 61.383 36.052 62.017 1.00 17.15 H new ATOM 0 HH21 ARG B 139 60.139 34.359 64.576 1.00 15.65 H new ATOM 0 HH22 ARG B 139 61.312 35.169 64.143 1.00 15.65 H new ATOM 2782 N LEU B 140 61.009 30.409 61.697 1.00 15.20 N ANISOU 2782 N LEU B 140 2107 1994 1676 -405 -256 204 N ATOM 2783 CA LEU B 140 62.371 30.505 62.199 1.00 14.42 C ANISOU 2783 CA LEU B 140 1969 1886 1624 -123 -195 152 C ATOM 2784 C LEU B 140 63.323 29.663 61.332 1.00 14.79 C ANISOU 2784 C LEU B 140 2141 1834 1644 -22 -201 67 C ATOM 2785 O LEU B 140 64.435 30.085 61.050 1.00 14.40 O ANISOU 2785 O LEU B 140 2133 1713 1627 84 -125 27 O ATOM 2786 CB LEU B 140 62.445 30.059 63.653 1.00 14.05 C ANISOU 2786 CB LEU B 140 1815 1833 1691 -249 -170 191 C ATOM 2787 CG LEU B 140 61.785 31.045 64.626 1.00 15.07 C ANISOU 2787 CG LEU B 140 1932 1934 1860 -117 -66 105 C ATOM 2788 CD1 LEU B 140 61.386 30.378 65.950 1.00 15.72 C ANISOU 2788 CD1 LEU B 140 2130 2022 1819 -138 -18 181 C ATOM 2789 CD2 LEU B 140 62.704 32.209 64.893 1.00 15.70 C ANISOU 2789 CD2 LEU B 140 1927 1978 2059 -60 57 -130 C ATOM 0 H LEU B 140 60.463 30.002 62.222 1.00 15.20 H new ATOM 0 HA LEU B 140 62.647 31.434 62.152 1.00 14.42 H new ATOM 0 HB2 LEU B 140 62.017 29.193 63.741 1.00 14.05 H new ATOM 0 HB3 LEU B 140 63.375 29.943 63.902 1.00 14.05 H new ATOM 0 HG LEU B 140 60.972 31.363 64.203 1.00 15.07 H new ATOM 0 HD11 LEU B 140 60.974 31.035 66.533 1.00 15.72 H new ATOM 0 HD12 LEU B 140 60.756 29.662 65.775 1.00 15.72 H new ATOM 0 HD13 LEU B 140 62.176 30.015 66.380 1.00 15.72 H new ATOM 0 HD21 LEU B 140 62.276 32.825 65.509 1.00 15.70 H new ATOM 0 HD22 LEU B 140 63.531 31.886 65.282 1.00 15.70 H new ATOM 0 HD23 LEU B 140 62.897 32.667 64.060 1.00 15.70 H new ATOM 2790 N TYR B 141 62.857 28.511 60.885 1.00 16.17 N ANISOU 2790 N TYR B 141 2410 1956 1779 -199 -272 11 N ATOM 2791 CA TYR B 141 63.672 27.682 60.022 1.00 18.64 C ANISOU 2791 CA TYR B 141 2951 2207 1924 -413 -189 -49 C ATOM 2792 C TYR B 141 63.866 28.383 58.662 1.00 19.08 C ANISOU 2792 C TYR B 141 2952 2463 1836 -152 -263 7 C ATOM 2793 O TYR B 141 64.918 28.272 58.053 1.00 18.85 O ANISOU 2793 O TYR B 141 3032 2373 1759 -122 -280 88 O ATOM 2794 CB TYR B 141 63.058 26.279 59.839 1.00 19.16 C ANISOU 2794 CB TYR B 141 2902 2238 2139 -526 -38 -90 C ATOM 2795 CG TYR B 141 63.512 25.271 60.882 1.00 19.56 C ANISOU 2795 CG TYR B 141 2857 2291 2284 -464 -147 -134 C ATOM 2796 CD1 TYR B 141 62.840 25.121 62.076 1.00 20.57 C ANISOU 2796 CD1 TYR B 141 3080 2381 2356 -479 -83 -43 C ATOM 2797 CD2 TYR B 141 64.599 24.434 60.647 1.00 19.71 C ANISOU 2797 CD2 TYR B 141 3259 1893 2337 -372 -219 -198 C ATOM 2798 CE1 TYR B 141 63.264 24.204 63.026 1.00 19.33 C ANISOU 2798 CE1 TYR B 141 2934 2025 2384 -490 83 34 C ATOM 2799 CE2 TYR B 141 65.024 23.521 61.591 1.00 20.62 C ANISOU 2799 CE2 TYR B 141 3342 2093 2400 -223 -97 -98 C ATOM 2800 CZ TYR B 141 64.334 23.394 62.773 1.00 19.74 C ANISOU 2800 CZ TYR B 141 3002 2060 2438 -388 54 10 C ATOM 2801 OH TYR B 141 64.744 22.483 63.694 1.00 19.12 O ANISOU 2801 OH TYR B 141 2989 1781 2495 -388 100 32 O ATOM 0 H TYR B 141 62.079 28.194 61.068 1.00 16.17 H new ATOM 0 HA TYR B 141 64.538 27.560 60.441 1.00 18.64 H new ATOM 0 HB2 TYR B 141 62.091 26.351 59.871 1.00 19.16 H new ATOM 0 HB3 TYR B 141 63.289 25.946 58.958 1.00 19.16 H new ATOM 0 HD1 TYR B 141 62.090 25.643 62.247 1.00 20.57 H new ATOM 0 HD2 TYR B 141 65.049 24.491 59.835 1.00 19.71 H new ATOM 0 HE1 TYR B 141 62.818 24.140 63.839 1.00 19.33 H new ATOM 0 HE2 TYR B 141 65.773 22.995 61.428 1.00 20.62 H new ATOM 0 HH TYR B 141 64.118 22.328 64.233 1.00 19.12 H new ATOM 2802 N HIS B 142 62.850 29.099 58.199 1.00 18.84 N ANISOU 2802 N HIS B 142 2807 2516 1836 -174 -266 26 N ATOM 2803 CA HIS B 142 62.945 29.821 56.958 1.00 19.49 C ANISOU 2803 CA HIS B 142 2956 2565 1886 -242 -258 65 C ATOM 2804 C HIS B 142 63.985 30.952 57.099 1.00 18.47 C ANISOU 2804 C HIS B 142 2962 2393 1661 -144 -184 61 C ATOM 2805 O HIS B 142 64.823 31.134 56.232 1.00 18.35 O ANISOU 2805 O HIS B 142 2923 2452 1598 -57 -62 -111 O ATOM 2806 CB HIS B 142 61.568 30.361 56.555 1.00 21.71 C ANISOU 2806 CB HIS B 142 2862 3086 2302 -380 -365 179 C ATOM 2807 CG HIS B 142 61.591 31.245 55.367 1.00 29.86 C ANISOU 2807 CG HIS B 142 4114 4279 2952 -126 -503 305 C ATOM 2808 ND1 HIS B 142 61.476 30.764 54.081 1.00 37.45 N ANISOU 2808 ND1 HIS B 142 5434 5429 3368 -298 -358 217 N ATOM 2809 CD2 HIS B 142 61.719 32.589 55.261 1.00 34.86 C ANISOU 2809 CD2 HIS B 142 5181 4821 3242 -37 -533 556 C ATOM 2810 CE1 HIS B 142 61.514 31.776 53.230 1.00 39.45 C ANISOU 2810 CE1 HIS B 142 6118 5280 3590 15 -284 467 C ATOM 2811 NE2 HIS B 142 61.671 32.892 53.921 1.00 37.34 N ANISOU 2811 NE2 HIS B 142 5604 4993 3589 161 -366 720 N ATOM 0 H HIS B 142 62.092 29.175 58.599 1.00 18.84 H new ATOM 0 HA HIS B 142 63.241 29.225 56.252 1.00 19.49 H new ATOM 0 HB2 HIS B 142 60.977 29.613 56.378 1.00 21.71 H new ATOM 0 HB3 HIS B 142 61.191 30.850 57.303 1.00 21.71 H new ATOM 0 HD2 HIS B 142 61.820 33.192 55.962 1.00 34.86 H new ATOM 0 HE1 HIS B 142 61.443 31.713 52.305 1.00 39.45 H new ATOM 0 HE2 HIS B 142 61.733 33.682 53.586 1.00 37.34 H new ATOM 2812 N VAL B 143 63.942 31.686 58.208 1.00 16.43 N ANISOU 2812 N VAL B 143 2530 2076 1638 -84 -179 210 N ATOM 2813 CA VAL B 143 64.940 32.745 58.445 1.00 15.74 C ANISOU 2813 CA VAL B 143 2256 2016 1707 92 -113 186 C ATOM 2814 C VAL B 143 66.347 32.129 58.499 1.00 16.40 C ANISOU 2814 C VAL B 143 2409 2160 1664 128 -7 176 C ATOM 2815 O VAL B 143 67.296 32.660 57.898 1.00 16.53 O ANISOU 2815 O VAL B 143 2482 2133 1666 347 67 215 O ATOM 2816 CB VAL B 143 64.660 33.468 59.765 1.00 15.87 C ANISOU 2816 CB VAL B 143 2228 1937 1865 122 7 123 C ATOM 2817 CG1 VAL B 143 65.821 34.376 60.177 1.00 15.66 C ANISOU 2817 CG1 VAL B 143 2061 1961 1929 266 179 130 C ATOM 2818 CG2 VAL B 143 63.352 34.259 59.648 1.00 15.75 C ANISOU 2818 CG2 VAL B 143 2205 1855 1924 38 37 69 C ATOM 0 H VAL B 143 63.356 31.594 58.830 1.00 16.43 H new ATOM 0 HA VAL B 143 64.885 33.384 57.717 1.00 15.74 H new ATOM 0 HB VAL B 143 64.568 32.802 60.464 1.00 15.87 H new ATOM 0 HG11 VAL B 143 65.607 34.815 61.015 1.00 15.66 H new ATOM 0 HG12 VAL B 143 66.625 33.844 60.287 1.00 15.66 H new ATOM 0 HG13 VAL B 143 65.968 35.045 59.490 1.00 15.66 H new ATOM 0 HG21 VAL B 143 63.175 34.717 60.484 1.00 15.75 H new ATOM 0 HG22 VAL B 143 63.430 34.910 58.933 1.00 15.75 H new ATOM 0 HG23 VAL B 143 62.622 33.651 59.452 1.00 15.75 H new ATOM 2819 N LEU B 144 66.475 31.036 59.210 1.00 16.04 N ANISOU 2819 N LEU B 144 2474 1962 1657 18 33 103 N ATOM 2820 CA LEU B 144 67.758 30.358 59.384 1.00 16.19 C ANISOU 2820 CA LEU B 144 2613 1862 1675 32 15 -13 C ATOM 2821 C LEU B 144 68.254 29.871 58.028 1.00 17.40 C ANISOU 2821 C LEU B 144 2808 2141 1662 193 -16 -6 C ATOM 2822 O LEU B 144 69.413 30.073 57.668 1.00 17.52 O ANISOU 2822 O LEU B 144 2870 2053 1732 15 36 86 O ATOM 2823 CB LEU B 144 67.601 29.178 60.356 1.00 16.74 C ANISOU 2823 CB LEU B 144 2756 1809 1797 137 40 -99 C ATOM 2824 CG LEU B 144 68.864 28.413 60.743 1.00 18.15 C ANISOU 2824 CG LEU B 144 2939 1971 1986 217 17 -30 C ATOM 2825 CD1 LEU B 144 69.865 29.303 61.462 1.00 19.53 C ANISOU 2825 CD1 LEU B 144 3004 2304 2111 118 -73 26 C ATOM 2826 CD2 LEU B 144 68.514 27.194 61.600 1.00 19.11 C ANISOU 2826 CD2 LEU B 144 3097 2114 2051 245 47 35 C ATOM 0 H LEU B 144 65.820 30.653 59.614 1.00 16.04 H new ATOM 0 HA LEU B 144 68.406 30.976 59.757 1.00 16.19 H new ATOM 0 HB2 LEU B 144 67.192 29.512 61.170 1.00 16.74 H new ATOM 0 HB3 LEU B 144 66.977 28.547 59.963 1.00 16.74 H new ATOM 0 HG LEU B 144 69.282 28.108 59.923 1.00 18.15 H new ATOM 0 HD11 LEU B 144 70.652 28.785 61.692 1.00 19.53 H new ATOM 0 HD12 LEU B 144 70.120 30.038 60.882 1.00 19.53 H new ATOM 0 HD13 LEU B 144 69.462 29.655 62.271 1.00 19.53 H new ATOM 0 HD21 LEU B 144 69.327 26.720 61.836 1.00 19.11 H new ATOM 0 HD22 LEU B 144 68.063 27.485 62.408 1.00 19.11 H new ATOM 0 HD23 LEU B 144 67.930 26.603 61.099 1.00 19.11 H new ATOM 2827 N ASN B 145 67.362 29.213 57.271 1.00 16.97 N ANISOU 2827 N ASN B 145 2813 2004 1629 327 -66 -91 N ATOM 2828 CA ASN B 145 67.714 28.775 55.930 1.00 18.32 C ANISOU 2828 CA ASN B 145 3119 2287 1555 143 -73 -136 C ATOM 2829 C ASN B 145 68.215 29.906 55.038 1.00 18.41 C ANISOU 2829 C ASN B 145 3190 2336 1470 233 18 -87 C ATOM 2830 O ASN B 145 69.203 29.751 54.300 1.00 18.52 O ANISOU 2830 O ASN B 145 3306 2228 1504 234 55 -160 O ATOM 2831 CB ASN B 145 66.540 28.076 55.269 1.00 19.00 C ANISOU 2831 CB ASN B 145 3201 2403 1614 -71 -40 -227 C ATOM 2832 CG ASN B 145 66.957 27.282 54.077 1.00 20.71 C ANISOU 2832 CG ASN B 145 3548 2630 1690 -126 -34 -300 C ATOM 2833 OD1 ASN B 145 67.671 26.287 54.204 1.00 20.91 O ANISOU 2833 OD1 ASN B 145 3616 2495 1834 8 117 -309 O ATOM 2834 ND2 ASN B 145 66.529 27.706 52.913 1.00 21.45 N ANISOU 2834 ND2 ASN B 145 3726 2840 1585 28 -225 -381 N ATOM 0 H ASN B 145 66.562 29.017 57.519 1.00 16.97 H new ATOM 0 HA ASN B 145 68.450 28.152 56.035 1.00 18.32 H new ATOM 0 HB2 ASN B 145 66.110 27.490 55.912 1.00 19.00 H new ATOM 0 HB3 ASN B 145 65.881 28.736 55.002 1.00 19.00 H new ATOM 0 HD21 ASN B 145 66.746 27.284 52.196 1.00 21.45 H new ATOM 0 HD22 ASN B 145 66.031 28.406 52.867 1.00 21.45 H new ATOM 2835 N LYS B 146 67.530 31.051 55.071 1.00 17.28 N ANISOU 2835 N LYS B 146 2883 2253 1428 198 160 46 N ATOM 2836 CA LYS B 146 67.907 32.147 54.175 1.00 18.68 C ANISOU 2836 CA LYS B 146 3049 2439 1611 330 224 218 C ATOM 2837 C LYS B 146 69.311 32.653 54.525 1.00 17.00 C ANISOU 2837 C LYS B 146 2906 2180 1375 384 280 130 C ATOM 2838 O LYS B 146 70.093 32.999 53.636 1.00 17.68 O ANISOU 2838 O LYS B 146 3097 2290 1331 350 197 211 O ATOM 2839 CB LYS B 146 66.938 33.326 54.251 1.00 23.38 C ANISOU 2839 CB LYS B 146 3490 3041 2351 391 79 427 C ATOM 2840 CG LYS B 146 65.522 33.024 53.821 1.00 36.42 C ANISOU 2840 CG LYS B 146 5016 5553 3270 -379 -37 328 C ATOM 2841 CD LYS B 146 65.431 32.538 52.384 1.00 52.44 C ANISOU 2841 CD LYS B 146 7979 7429 4515 412 265 339 C ATOM 2842 CE LYS B 146 65.592 33.685 51.424 1.00 62.19 C ANISOU 2842 CE LYS B 146 9791 8156 5681 562 51 433 C ATOM 2843 NZ LYS B 146 65.177 33.258 50.062 1.00 77.62 N ANISOU 2843 NZ LYS B 146 11661 11487 6345 -652 -497 -275 N ATOM 0 H LYS B 146 66.862 31.212 55.589 1.00 17.28 H new ATOM 0 HA LYS B 146 67.882 31.789 53.274 1.00 18.68 H new ATOM 0 HB2 LYS B 146 66.921 33.653 55.164 1.00 23.38 H new ATOM 0 HB3 LYS B 146 67.282 34.045 53.698 1.00 23.38 H new ATOM 0 HG2 LYS B 146 65.147 32.351 54.410 1.00 36.42 H new ATOM 0 HG3 LYS B 146 64.981 33.823 53.922 1.00 36.42 H new ATOM 0 HD2 LYS B 146 66.117 31.873 52.219 1.00 52.44 H new ATOM 0 HD3 LYS B 146 64.575 32.105 52.238 1.00 52.44 H new ATOM 0 HE2 LYS B 146 65.055 34.439 51.714 1.00 62.19 H new ATOM 0 HE3 LYS B 146 66.515 33.982 51.412 1.00 62.19 H new ATOM 0 HZ1 LYS B 146 65.273 33.938 49.495 1.00 77.62 H new ATOM 0 HZ2 LYS B 146 65.685 32.577 49.797 1.00 77.62 H new ATOM 0 HZ3 LYS B 146 64.324 33.003 50.077 1.00 77.62 H new ATOM 2844 N ARG B 147 69.629 32.698 55.809 1.00 16.73 N ANISOU 2844 N ARG B 147 2815 2091 1452 458 367 22 N ATOM 2845 CA ARG B 147 70.932 33.192 56.208 1.00 17.19 C ANISOU 2845 CA ARG B 147 2781 2263 1489 557 439 -46 C ATOM 2846 C ARG B 147 71.991 32.196 55.726 1.00 16.81 C ANISOU 2846 C ARG B 147 2865 2035 1487 453 465 62 C ATOM 2847 O ARG B 147 73.020 32.597 55.213 1.00 17.12 O ANISOU 2847 O ARG B 147 2894 2020 1589 493 555 116 O ATOM 2848 CB ARG B 147 71.017 33.349 57.736 1.00 17.47 C ANISOU 2848 CB ARG B 147 2745 2341 1552 380 524 -136 C ATOM 2849 CG ARG B 147 72.395 33.686 58.238 1.00 16.46 C ANISOU 2849 CG ARG B 147 2640 1891 1723 473 541 48 C ATOM 2850 CD ARG B 147 72.996 34.918 57.584 1.00 16.75 C ANISOU 2850 CD ARG B 147 2617 1869 1877 542 561 298 C ATOM 2851 NE ARG B 147 74.322 35.208 58.120 1.00 17.84 N ANISOU 2851 NE ARG B 147 2758 1924 2095 316 655 414 N ATOM 2852 CZ ARG B 147 75.215 36.002 57.543 1.00 18.23 C ANISOU 2852 CZ ARG B 147 2621 2084 2221 333 700 487 C ATOM 2853 NH1 ARG B 147 74.929 36.636 56.412 1.00 19.72 N ANISOU 2853 NH1 ARG B 147 2715 2491 2288 489 628 416 N ATOM 2854 NH2 ARG B 147 76.391 36.187 58.105 1.00 18.15 N ANISOU 2854 NH2 ARG B 147 2608 2106 2184 258 738 661 N ATOM 0 H ARG B 147 69.115 32.452 56.453 1.00 16.73 H new ATOM 0 HA ARG B 147 71.081 34.065 55.812 1.00 17.19 H new ATOM 0 HB2 ARG B 147 70.401 34.044 58.016 1.00 17.47 H new ATOM 0 HB3 ARG B 147 70.723 32.525 58.154 1.00 17.47 H new ATOM 0 HG2 ARG B 147 72.357 33.825 59.197 1.00 16.46 H new ATOM 0 HG3 ARG B 147 72.981 32.929 58.084 1.00 16.46 H new ATOM 0 HD2 ARG B 147 73.055 34.782 56.625 1.00 16.75 H new ATOM 0 HD3 ARG B 147 72.413 35.680 57.727 1.00 16.75 H new ATOM 0 HE ARG B 147 74.541 34.837 58.864 1.00 17.84 H new ATOM 0 HH11 ARG B 147 74.158 36.534 56.045 1.00 19.72 H new ATOM 0 HH12 ARG B 147 75.515 37.148 56.046 1.00 19.72 H new ATOM 0 HH21 ARG B 147 76.580 35.793 58.846 1.00 18.15 H new ATOM 0 HH22 ARG B 147 76.970 36.702 57.731 1.00 18.15 H new ATOM 2855 N LEU B 148 71.711 30.911 55.864 1.00 15.54 N ANISOU 2855 N LEU B 148 2646 1874 1385 395 422 64 N ATOM 2856 CA LEU B 148 72.678 29.876 55.500 1.00 16.02 C ANISOU 2856 CA LEU B 148 2801 1862 1424 359 450 -66 C ATOM 2857 C LEU B 148 72.837 29.695 53.993 1.00 18.77 C ANISOU 2857 C LEU B 148 3259 2318 1555 465 482 -87 C ATOM 2858 O LEU B 148 73.811 29.082 53.531 1.00 19.52 O ANISOU 2858 O LEU B 148 3375 2464 1578 555 625 -163 O ATOM 2859 CB LEU B 148 72.352 28.554 56.209 1.00 15.93 C ANISOU 2859 CB LEU B 148 2740 1883 1430 343 502 -102 C ATOM 2860 CG LEU B 148 72.559 28.629 57.737 1.00 15.82 C ANISOU 2860 CG LEU B 148 2761 1742 1508 334 477 -77 C ATOM 2861 CD1 LEU B 148 71.990 27.395 58.445 1.00 15.54 C ANISOU 2861 CD1 LEU B 148 2779 1636 1491 371 554 -60 C ATOM 2862 CD2 LEU B 148 74.029 28.819 58.078 1.00 17.61 C ANISOU 2862 CD2 LEU B 148 3029 2098 1564 497 304 -18 C ATOM 0 H LEU B 148 70.964 30.611 56.168 1.00 15.54 H new ATOM 0 HA LEU B 148 73.544 30.182 55.811 1.00 16.02 H new ATOM 0 HB2 LEU B 148 71.432 28.310 56.023 1.00 15.93 H new ATOM 0 HB3 LEU B 148 72.911 27.850 55.845 1.00 15.93 H new ATOM 0 HG LEU B 148 72.070 29.402 58.059 1.00 15.82 H new ATOM 0 HD11 LEU B 148 72.136 27.474 59.401 1.00 15.54 H new ATOM 0 HD12 LEU B 148 71.038 27.330 58.268 1.00 15.54 H new ATOM 0 HD13 LEU B 148 72.435 26.599 58.115 1.00 15.54 H new ATOM 0 HD21 LEU B 148 74.135 28.863 59.041 1.00 17.61 H new ATOM 0 HD22 LEU B 148 74.541 28.072 57.731 1.00 17.61 H new ATOM 0 HD23 LEU B 148 74.350 29.643 57.680 1.00 17.61 H new ATOM 2863 N GLU B 149 71.891 30.219 53.229 1.00 21.30 N ANISOU 2863 N GLU B 149 3653 2809 1632 515 366 100 N ATOM 2864 CA GLU B 149 72.019 30.279 51.778 1.00 23.44 C ANISOU 2864 CA GLU B 149 4092 3178 1635 528 317 149 C ATOM 2865 C GLU B 149 72.989 31.390 51.373 1.00 23.12 C ANISOU 2865 C GLU B 149 4016 3079 1690 611 354 137 C ATOM 2866 O GLU B 149 73.463 31.430 50.250 1.00 25.63 O ANISOU 2866 O GLU B 149 4307 3628 1802 400 502 14 O ATOM 2867 CB GLU B 149 70.657 30.566 51.142 1.00 25.38 C ANISOU 2867 CB GLU B 149 4326 3549 1768 493 287 37 C ATOM 2868 CG GLU B 149 69.694 29.387 51.100 1.00 27.44 C ANISOU 2868 CG GLU B 149 4751 3501 2173 399 127 -295 C ATOM 2869 CD GLU B 149 68.361 29.763 50.414 1.00 33.12 C ANISOU 2869 CD GLU B 149 5608 4236 2739 194 -309 -368 C ATOM 2870 OE1 GLU B 149 68.030 30.979 50.313 1.00 36.08 O ANISOU 2870 OE1 GLU B 149 5849 4417 3441 -11 -857 258 O ATOM 2871 OE2 GLU B 149 67.624 28.846 49.983 1.00 34.44 O ANISOU 2871 OE2 GLU B 149 5740 4614 2732 29 -70 -858 O ATOM 0 H GLU B 149 71.158 30.550 53.534 1.00 21.30 H new ATOM 0 HA GLU B 149 72.356 29.423 51.469 1.00 23.44 H new ATOM 0 HB2 GLU B 149 70.236 31.291 51.630 1.00 25.38 H new ATOM 0 HB3 GLU B 149 70.800 30.880 50.235 1.00 25.38 H new ATOM 0 HG2 GLU B 149 70.106 28.649 50.624 1.00 27.44 H new ATOM 0 HG3 GLU B 149 69.518 29.080 52.003 1.00 27.44 H new ATOM 2872 N ASN B 150 73.245 32.305 52.289 1.00 22.10 N ANISOU 2872 N ASN B 150 3632 3064 1700 463 296 318 N ATOM 2873 CA ASN B 150 74.023 33.520 52.003 1.00 22.33 C ANISOU 2873 CA ASN B 150 3767 2894 1825 468 462 535 C ATOM 2874 C ASN B 150 75.395 33.544 52.666 1.00 22.92 C ANISOU 2874 C ASN B 150 3644 3120 1943 579 605 530 C ATOM 2875 O ASN B 150 76.190 34.451 52.418 1.00 23.68 O ANISOU 2875 O ASN B 150 3643 3180 2176 720 625 678 O ATOM 2876 CB ASN B 150 73.247 34.735 52.488 1.00 22.73 C ANISOU 2876 CB ASN B 150 3744 2918 1976 443 467 649 C ATOM 2877 CG ASN B 150 71.992 34.988 51.677 1.00 25.32 C ANISOU 2877 CG ASN B 150 4017 3361 2242 402 296 529 C ATOM 2878 OD1 ASN B 150 71.755 34.349 50.655 1.00 25.75 O ANISOU 2878 OD1 ASN B 150 4168 3616 1999 512 32 400 O ATOM 2879 ND2 ASN B 150 71.173 35.916 52.149 1.00 25.69 N ANISOU 2879 ND2 ASN B 150 3931 3128 2703 466 446 606 N ATOM 0 H ASN B 150 72.975 32.248 53.103 1.00 22.10 H new ATOM 0 HA ASN B 150 74.164 33.532 51.043 1.00 22.33 H new ATOM 0 HB2 ASN B 150 73.006 34.610 53.419 1.00 22.73 H new ATOM 0 HB3 ASN B 150 73.819 35.518 52.445 1.00 22.73 H new ATOM 0 HD21 ASN B 150 70.440 36.092 51.736 1.00 25.69 H new ATOM 0 HD22 ASN B 150 71.375 36.342 52.868 1.00 25.69 H new ATOM 2880 N SER B 151 75.651 32.554 53.518 1.00 21.66 N ANISOU 2880 N SER B 151 3367 2992 1869 399 745 407 N ATOM 2881 CA SER B 151 76.876 32.473 54.295 1.00 20.37 C ANISOU 2881 CA SER B 151 3017 2832 1890 455 810 317 C ATOM 2882 C SER B 151 77.111 31.031 54.728 1.00 21.25 C ANISOU 2882 C SER B 151 3214 2844 2017 713 894 136 C ATOM 2883 O SER B 151 76.155 30.319 55.073 1.00 20.76 O ANISOU 2883 O SER B 151 3244 2789 1854 769 756 16 O ATOM 2884 CB SER B 151 76.766 33.377 55.540 1.00 20.91 C ANISOU 2884 CB SER B 151 3196 2878 1870 607 632 303 C ATOM 2885 OG SER B 151 77.978 33.409 56.254 1.00 21.34 O ANISOU 2885 OG SER B 151 3093 3081 1935 580 560 280 O ATOM 0 H SER B 151 75.108 31.903 53.660 1.00 21.66 H new ATOM 0 HA SER B 151 77.621 32.771 53.750 1.00 20.37 H new ATOM 0 HB2 SER B 151 76.523 34.276 55.269 1.00 20.91 H new ATOM 0 HB3 SER B 151 76.056 33.053 56.117 1.00 20.91 H new ATOM 0 HG SER B 151 77.883 33.008 56.986 1.00 21.34 H new ATOM 2886 N PRO B 152 78.373 30.580 54.741 1.00 24.11 N ANISOU 2886 N PRO B 152 3486 3259 2417 889 991 30 N ATOM 2887 CA PRO B 152 78.664 29.214 55.188 1.00 24.37 C ANISOU 2887 CA PRO B 152 3597 3294 2370 993 902 160 C ATOM 2888 C PRO B 152 78.256 28.973 56.630 1.00 22.45 C ANISOU 2888 C PRO B 152 3332 3063 2134 890 814 212 C ATOM 2889 O PRO B 152 77.766 27.890 56.966 1.00 23.82 O ANISOU 2889 O PRO B 152 3714 3103 2235 997 817 264 O ATOM 2890 CB PRO B 152 80.185 29.114 55.068 1.00 27.27 C ANISOU 2890 CB PRO B 152 3788 3787 2786 1291 972 315 C ATOM 2891 CG PRO B 152 80.611 30.254 54.233 1.00 28.48 C ANISOU 2891 CG PRO B 152 3901 3974 2947 947 959 320 C ATOM 2892 CD PRO B 152 79.590 31.328 54.392 1.00 27.44 C ANISOU 2892 CD PRO B 152 3687 3801 2939 779 1093 7 C ATOM 0 HA PRO B 152 78.176 28.560 54.664 1.00 24.37 H new ATOM 0 HB2 PRO B 152 80.604 29.150 55.942 1.00 27.27 H new ATOM 0 HB3 PRO B 152 80.445 28.272 54.663 1.00 27.27 H new ATOM 0 HG2 PRO B 152 81.486 30.571 54.508 1.00 28.48 H new ATOM 0 HG3 PRO B 152 80.685 29.988 53.303 1.00 28.48 H new ATOM 0 HD2 PRO B 152 79.836 31.957 55.088 1.00 27.44 H new ATOM 0 HD3 PRO B 152 79.476 31.838 53.575 1.00 27.44 H new ATOM 2893 N TRP B 153 78.479 29.974 57.470 1.00 19.95 N ANISOU 2893 N TRP B 153 2843 2707 2031 1047 842 225 N ATOM 2894 CA TRP B 153 78.142 29.880 58.897 1.00 17.81 C ANISOU 2894 CA TRP B 153 2486 2386 1894 835 784 220 C ATOM 2895 C TRP B 153 77.326 31.115 59.261 1.00 16.77 C ANISOU 2895 C TRP B 153 2327 2257 1788 677 694 203 C ATOM 2896 O TRP B 153 77.289 32.092 58.516 1.00 17.02 O ANISOU 2896 O TRP B 153 2407 2329 1730 743 690 253 O ATOM 2897 CB TRP B 153 79.397 29.789 59.746 1.00 17.95 C ANISOU 2897 CB TRP B 153 2464 2325 2031 940 829 263 C ATOM 2898 CG TRP B 153 80.282 28.591 59.429 1.00 19.56 C ANISOU 2898 CG TRP B 153 2578 2523 2331 1120 917 178 C ATOM 2899 CD1 TRP B 153 81.481 28.620 58.820 1.00 20.84 C ANISOU 2899 CD1 TRP B 153 2700 2734 2483 1127 1011 157 C ATOM 2900 CD2 TRP B 153 79.990 27.218 59.699 1.00 21.14 C ANISOU 2900 CD2 TRP B 153 2766 2732 2536 1283 950 100 C ATOM 2901 NE1 TRP B 153 81.993 27.338 58.700 1.00 22.58 N ANISOU 2901 NE1 TRP B 153 3044 2900 2636 1268 1130 127 N ATOM 2902 CE2 TRP B 153 81.082 26.459 59.237 1.00 22.82 C ANISOU 2902 CE2 TRP B 153 3115 2887 2668 1290 1045 143 C ATOM 2903 CE3 TRP B 153 78.925 26.554 60.306 1.00 21.30 C ANISOU 2903 CE3 TRP B 153 2879 2617 2596 1376 891 105 C ATOM 2904 CZ2 TRP B 153 81.120 25.072 59.348 1.00 24.03 C ANISOU 2904 CZ2 TRP B 153 3406 2937 2786 1264 1000 266 C ATOM 2905 CZ3 TRP B 153 78.951 25.196 60.405 1.00 23.32 C ANISOU 2905 CZ3 TRP B 153 3422 2681 2756 1232 904 59 C ATOM 2906 CH2 TRP B 153 80.054 24.456 59.941 1.00 23.93 C ANISOU 2906 CH2 TRP B 153 3323 2995 2773 1287 1000 140 C ATOM 0 H TRP B 153 78.827 30.725 57.238 1.00 19.95 H new ATOM 0 HA TRP B 153 77.627 29.076 59.068 1.00 17.81 H new ATOM 0 HB2 TRP B 153 79.915 30.601 59.627 1.00 17.95 H new ATOM 0 HB3 TRP B 153 79.141 29.750 60.681 1.00 17.95 H new ATOM 0 HD1 TRP B 153 81.906 29.391 58.522 1.00 20.84 H new ATOM 0 HE1 TRP B 153 82.750 27.128 58.350 1.00 22.58 H new ATOM 0 HE3 TRP B 153 78.203 27.035 60.641 1.00 21.30 H new ATOM 0 HZ2 TRP B 153 81.844 24.583 59.030 1.00 24.03 H new ATOM 0 HZ3 TRP B 153 78.228 24.751 60.785 1.00 23.32 H new ATOM 0 HH2 TRP B 153 80.058 23.531 60.040 1.00 23.93 H new ATOM 2907 N LEU B 154 76.667 31.086 60.416 1.00 16.54 N ANISOU 2907 N LEU B 154 2346 2162 1777 611 639 224 N ATOM 2908 CA LEU B 154 75.744 32.182 60.751 1.00 15.55 C ANISOU 2908 CA LEU B 154 2137 1966 1807 549 536 247 C ATOM 2909 C LEU B 154 76.440 33.553 60.868 1.00 15.56 C ANISOU 2909 C LEU B 154 2055 1992 1864 495 455 394 C ATOM 2910 O LEU B 154 75.896 34.566 60.444 1.00 16.07 O ANISOU 2910 O LEU B 154 2061 2171 1873 558 402 413 O ATOM 2911 CB LEU B 154 74.993 31.862 62.041 1.00 16.15 C ANISOU 2911 CB LEU B 154 2273 2020 1842 595 490 123 C ATOM 2912 CG LEU B 154 73.996 30.707 61.890 1.00 17.87 C ANISOU 2912 CG LEU B 154 2482 2333 1975 327 416 160 C ATOM 2913 CD1 LEU B 154 73.403 30.312 63.255 1.00 16.93 C ANISOU 2913 CD1 LEU B 154 2392 2092 1948 191 363 75 C ATOM 2914 CD2 LEU B 154 72.903 31.113 60.905 1.00 20.76 C ANISOU 2914 CD2 LEU B 154 2928 2855 2106 196 371 382 C ATOM 0 H LEU B 154 76.732 30.464 61.007 1.00 16.54 H new ATOM 0 HA LEU B 154 75.119 32.252 60.012 1.00 15.55 H new ATOM 0 HB2 LEU B 154 75.634 31.640 62.734 1.00 16.15 H new ATOM 0 HB3 LEU B 154 74.518 32.654 62.337 1.00 16.15 H new ATOM 0 HG LEU B 154 74.457 29.927 61.543 1.00 17.87 H new ATOM 0 HD11 LEU B 154 72.776 29.581 63.136 1.00 16.93 H new ATOM 0 HD12 LEU B 154 74.117 30.032 63.849 1.00 16.93 H new ATOM 0 HD13 LEU B 154 72.942 31.073 63.640 1.00 16.93 H new ATOM 0 HD21 LEU B 154 72.270 30.385 60.806 1.00 20.76 H new ATOM 0 HD22 LEU B 154 72.442 31.899 61.238 1.00 20.76 H new ATOM 0 HD23 LEU B 154 73.302 31.313 60.044 1.00 20.76 H new ATOM 2915 N GLY B 155 77.636 33.578 61.418 1.00 15.98 N ANISOU 2915 N GLY B 155 2070 2041 1960 518 398 495 N ATOM 2916 CA GLY B 155 78.319 34.850 61.698 1.00 17.36 C ANISOU 2916 CA GLY B 155 2112 2375 2108 572 331 571 C ATOM 2917 C GLY B 155 79.234 35.335 60.602 1.00 18.23 C ANISOU 2917 C GLY B 155 2185 2457 2284 525 423 630 C ATOM 2918 O GLY B 155 79.788 36.449 60.692 1.00 18.42 O ANISOU 2918 O GLY B 155 2129 2495 2376 429 435 649 O ATOM 0 H GLY B 155 78.080 32.876 61.641 1.00 15.98 H new ATOM 0 HA2 GLY B 155 77.649 35.531 61.867 1.00 17.36 H new ATOM 0 HA3 GLY B 155 78.836 34.752 62.513 1.00 17.36 H new ATOM 2919 N GLY B 156 79.406 34.503 59.571 1.00 18.82 N ANISOU 2919 N GLY B 156 2326 2512 2313 510 584 630 N ATOM 2920 CA GLY B 156 80.327 34.793 58.480 1.00 19.74 C ANISOU 2920 CA GLY B 156 2418 2804 2279 663 736 574 C ATOM 2921 C GLY B 156 81.020 33.534 57.996 1.00 20.00 C ANISOU 2921 C GLY B 156 2464 2894 2240 797 809 641 C ATOM 2922 O GLY B 156 80.391 32.464 57.902 1.00 20.67 O ANISOU 2922 O GLY B 156 2636 3052 2167 999 831 515 O ATOM 0 H GLY B 156 78.989 33.755 59.489 1.00 18.82 H new ATOM 0 HA2 GLY B 156 79.843 35.201 57.745 1.00 19.74 H new ATOM 0 HA3 GLY B 156 80.990 35.437 58.776 1.00 19.74 H new ATOM 2923 N GLU B 157 82.310 33.658 57.711 1.00 20.46 N ANISOU 2923 N GLU B 157 2396 2992 2387 862 926 745 N ATOM 2924 CA GLU B 157 83.088 32.572 57.110 1.00 23.04 C ANISOU 2924 CA GLU B 157 2700 3338 2716 809 1168 620 C ATOM 2925 C GLU B 157 83.534 31.518 58.088 1.00 21.73 C ANISOU 2925 C GLU B 157 2359 3279 2619 928 1185 560 C ATOM 2926 O GLU B 157 84.050 30.478 57.677 1.00 23.27 O ANISOU 2926 O GLU B 157 2737 3534 2572 978 1329 526 O ATOM 2927 CB GLU B 157 84.318 33.142 56.401 1.00 27.85 C ANISOU 2927 CB GLU B 157 3343 3893 3347 566 1294 698 C ATOM 2928 CG GLU B 157 83.961 34.090 55.269 1.00 37.99 C ANISOU 2928 CG GLU B 157 5038 5077 4321 1035 1013 823 C ATOM 2929 CD GLU B 157 83.230 33.387 54.137 1.00 45.94 C ANISOU 2929 CD GLU B 157 5769 6295 5392 813 842 801 C ATOM 2930 OE1 GLU B 157 83.676 32.301 53.705 1.00 46.42 O ANISOU 2930 OE1 GLU B 157 5781 6311 5545 435 1324 338 O ATOM 2931 OE2 GLU B 157 82.197 33.921 53.679 1.00 51.31 O ANISOU 2931 OE2 GLU B 157 6180 7274 6042 699 343 1362 O ATOM 0 H GLU B 157 82.763 34.374 57.859 1.00 20.46 H new ATOM 0 HA GLU B 157 82.490 32.137 56.483 1.00 23.04 H new ATOM 0 HB2 GLU B 157 84.870 33.610 57.047 1.00 27.85 H new ATOM 0 HB3 GLU B 157 84.850 32.411 56.049 1.00 27.85 H new ATOM 0 HG2 GLU B 157 83.406 34.807 55.613 1.00 37.99 H new ATOM 0 HG3 GLU B 157 84.771 34.498 54.924 1.00 37.99 H new ATOM 2932 N ASN B 158 83.351 31.766 59.379 1.00 21.14 N ANISOU 2932 N ASN B 158 2331 3123 2578 927 1084 610 N ATOM 2933 CA ASN B 158 83.903 30.872 60.431 1.00 20.42 C ANISOU 2933 CA ASN B 158 2050 3029 2680 1007 984 536 C ATOM 2934 C ASN B 158 82.831 30.334 61.364 1.00 19.99 C ANISOU 2934 C ASN B 158 2195 2872 2529 943 925 465 C ATOM 2935 O ASN B 158 81.893 31.055 61.771 1.00 19.53 O ANISOU 2935 O ASN B 158 2132 2763 2524 961 843 489 O ATOM 2936 CB ASN B 158 84.917 31.620 61.280 1.00 23.15 C ANISOU 2936 CB ASN B 158 2134 3675 2987 1072 1036 473 C ATOM 2937 CG ASN B 158 85.987 32.267 60.455 1.00 25.90 C ANISOU 2937 CG ASN B 158 2491 3990 3361 851 1191 620 C ATOM 2938 OD1 ASN B 158 86.728 31.584 59.759 1.00 26.02 O ANISOU 2938 OD1 ASN B 158 2448 4067 3371 901 1370 702 O ATOM 2939 ND2 ASN B 158 86.071 33.589 60.506 1.00 27.93 N ANISOU 2939 ND2 ASN B 158 2860 4099 3654 618 1131 808 N ATOM 0 H ASN B 158 82.913 32.442 59.681 1.00 21.14 H new ATOM 0 HA ASN B 158 84.315 30.129 59.963 1.00 20.42 H new ATOM 0 HB2 ASN B 158 84.460 32.298 61.802 1.00 23.15 H new ATOM 0 HB3 ASN B 158 85.325 31.005 61.909 1.00 23.15 H new ATOM 0 HD21 ASN B 158 86.664 34.001 60.038 1.00 27.93 H new ATOM 0 HD22 ASN B 158 85.533 34.035 61.007 1.00 27.93 H new ATOM 2940 N TYR B 159 82.962 29.067 61.696 1.00 19.86 N ANISOU 2940 N TYR B 159 2357 2774 2415 1054 992 362 N ATOM 2941 CA TYR B 159 82.138 28.438 62.739 1.00 19.34 C ANISOU 2941 CA TYR B 159 2184 2709 2457 1106 925 385 C ATOM 2942 C TYR B 159 82.251 29.244 64.031 1.00 19.43 C ANISOU 2942 C TYR B 159 2054 2780 2550 941 742 416 C ATOM 2943 O TYR B 159 83.348 29.658 64.412 1.00 21.23 O ANISOU 2943 O TYR B 159 2158 3257 2650 1077 716 478 O ATOM 2944 CB TYR B 159 82.686 27.051 62.987 1.00 21.14 C ANISOU 2944 CB TYR B 159 2842 2689 2503 1312 956 380 C ATOM 2945 CG TYR B 159 81.833 26.143 63.854 1.00 20.74 C ANISOU 2945 CG TYR B 159 2619 2640 2621 1207 825 401 C ATOM 2946 CD1 TYR B 159 80.544 25.826 63.497 1.00 23.17 C ANISOU 2946 CD1 TYR B 159 2801 3207 2794 1254 770 437 C ATOM 2947 CD2 TYR B 159 82.365 25.536 64.978 1.00 21.05 C ANISOU 2947 CD2 TYR B 159 2682 2723 2593 1295 661 441 C ATOM 2948 CE1 TYR B 159 79.787 24.956 64.261 1.00 23.81 C ANISOU 2948 CE1 TYR B 159 3090 3117 2840 1032 605 510 C ATOM 2949 CE2 TYR B 159 81.626 24.647 65.736 1.00 21.35 C ANISOU 2949 CE2 TYR B 159 2617 2736 2758 1448 616 431 C ATOM 2950 CZ TYR B 159 80.339 24.375 65.380 1.00 23.27 C ANISOU 2950 CZ TYR B 159 3028 2899 2915 1291 631 463 C ATOM 2951 OH TYR B 159 79.586 23.517 66.119 1.00 25.05 O ANISOU 2951 OH TYR B 159 3684 2751 3081 1366 715 477 O ATOM 0 H TYR B 159 83.530 28.535 61.329 1.00 19.86 H new ATOM 0 HA TYR B 159 81.210 28.402 62.459 1.00 19.34 H new ATOM 0 HB2 TYR B 159 82.820 26.617 62.130 1.00 21.14 H new ATOM 0 HB3 TYR B 159 83.559 27.137 63.401 1.00 21.14 H new ATOM 0 HD1 TYR B 159 80.175 26.202 62.730 1.00 23.17 H new ATOM 0 HD2 TYR B 159 83.239 25.730 65.229 1.00 21.05 H new ATOM 0 HE1 TYR B 159 78.909 24.765 64.020 1.00 23.81 H new ATOM 0 HE2 TYR B 159 82.003 24.239 66.481 1.00 21.35 H new ATOM 0 HH TYR B 159 79.965 22.768 66.152 1.00 25.05 H new ATOM 2952 N SER B 160 81.125 29.477 64.703 1.00 19.14 N ANISOU 2952 N SER B 160 2098 2700 2474 896 627 350 N ATOM 2953 CA SER B 160 81.111 30.324 65.905 1.00 17.83 C ANISOU 2953 CA SER B 160 1980 2492 2303 769 535 376 C ATOM 2954 C SER B 160 80.089 29.884 66.936 1.00 16.17 C ANISOU 2954 C SER B 160 1974 2018 2153 902 308 442 C ATOM 2955 O SER B 160 79.304 28.964 66.723 1.00 15.11 O ANISOU 2955 O SER B 160 1742 1953 2048 937 307 384 O ATOM 2956 CB SER B 160 80.792 31.762 65.514 1.00 16.84 C ANISOU 2956 CB SER B 160 1675 2444 2279 670 628 331 C ATOM 2957 OG SER B 160 79.412 31.921 65.268 1.00 16.23 O ANISOU 2957 OG SER B 160 1748 2207 2211 428 421 297 O ATOM 0 H SER B 160 80.358 29.157 64.483 1.00 19.14 H new ATOM 0 HA SER B 160 81.992 30.246 66.303 1.00 17.83 H new ATOM 0 HB2 SER B 160 81.070 32.363 66.223 1.00 16.84 H new ATOM 0 HB3 SER B 160 81.296 32.005 64.722 1.00 16.84 H new ATOM 0 HG SER B 160 79.264 31.849 64.444 1.00 16.23 H new ATOM 2958 N ILE B 161 80.075 30.602 68.053 1.00 16.27 N ANISOU 2958 N ILE B 161 2017 2067 2098 822 185 518 N ATOM 2959 CA ILE B 161 79.097 30.357 69.082 1.00 15.98 C ANISOU 2959 CA ILE B 161 1805 2227 2038 660 150 483 C ATOM 2960 C ILE B 161 77.664 30.527 68.629 1.00 14.67 C ANISOU 2960 C ILE B 161 1699 2048 1828 630 243 354 C ATOM 2961 O ILE B 161 76.770 29.940 69.230 1.00 14.44 O ANISOU 2961 O ILE B 161 1781 1944 1761 573 286 264 O ATOM 2962 CB ILE B 161 79.347 31.217 70.347 1.00 15.81 C ANISOU 2962 CB ILE B 161 1648 2207 2151 627 117 496 C ATOM 2963 CG1 ILE B 161 79.349 32.702 70.044 1.00 15.24 C ANISOU 2963 CG1 ILE B 161 1531 2120 2140 433 168 396 C ATOM 2964 CG2 ILE B 161 80.645 30.771 70.997 1.00 16.71 C ANISOU 2964 CG2 ILE B 161 1523 2617 2208 632 60 604 C ATOM 2965 CD1 ILE B 161 79.558 33.574 71.264 1.00 15.39 C ANISOU 2965 CD1 ILE B 161 1477 2208 2163 601 221 446 C ATOM 0 H ILE B 161 80.629 31.236 68.228 1.00 16.27 H new ATOM 0 HA ILE B 161 79.217 29.420 69.303 1.00 15.98 H new ATOM 0 HB ILE B 161 78.614 31.079 70.967 1.00 15.81 H new ATOM 0 HG12 ILE B 161 80.048 32.891 69.398 1.00 15.24 H new ATOM 0 HG13 ILE B 161 78.506 32.940 69.627 1.00 15.24 H new ATOM 0 HG21 ILE B 161 80.810 31.304 71.790 1.00 16.71 H new ATOM 0 HG22 ILE B 161 80.578 29.836 71.245 1.00 16.71 H new ATOM 0 HG23 ILE B 161 81.377 30.888 70.372 1.00 16.71 H new ATOM 0 HD11 ILE B 161 79.548 34.507 71.000 1.00 15.39 H new ATOM 0 HD12 ILE B 161 78.847 33.412 71.904 1.00 15.39 H new ATOM 0 HD13 ILE B 161 80.413 33.362 71.671 1.00 15.39 H new ATOM 2966 N ALA B 162 77.431 31.278 67.543 1.00 14.21 N ANISOU 2966 N ALA B 162 1675 1885 1839 603 339 298 N ATOM 2967 CA ALA B 162 76.083 31.346 66.987 1.00 14.44 C ANISOU 2967 CA ALA B 162 1774 1900 1813 561 346 196 C ATOM 2968 C ALA B 162 75.619 30.002 66.431 1.00 14.70 C ANISOU 2968 C ALA B 162 1882 1918 1784 634 333 166 C ATOM 2969 O ALA B 162 74.470 29.588 66.643 1.00 14.19 O ANISOU 2969 O ALA B 162 1819 1824 1748 727 339 60 O ATOM 2970 CB ALA B 162 75.962 32.435 65.933 1.00 14.38 C ANISOU 2970 CB ALA B 162 1805 1844 1816 578 332 128 C ATOM 0 H ALA B 162 78.025 31.741 67.127 1.00 14.21 H new ATOM 0 HA ALA B 162 75.495 31.575 67.724 1.00 14.44 H new ATOM 0 HB1 ALA B 162 75.056 32.451 65.587 1.00 14.38 H new ATOM 0 HB2 ALA B 162 76.171 33.295 66.330 1.00 14.38 H new ATOM 0 HB3 ALA B 162 76.581 32.255 65.209 1.00 14.38 H new ATOM 2971 N ASP B 163 76.502 29.323 65.701 1.00 14.74 N ANISOU 2971 N ASP B 163 1948 1805 1848 731 323 252 N ATOM 2972 CA ASP B 163 76.163 28.018 65.140 1.00 15.51 C ANISOU 2972 CA ASP B 163 2116 1896 1880 688 358 243 C ATOM 2973 C ASP B 163 75.989 26.993 66.261 1.00 15.28 C ANISOU 2973 C ASP B 163 2167 1782 1855 755 361 224 C ATOM 2974 O ASP B 163 75.075 26.159 66.240 1.00 14.60 O ANISOU 2974 O ASP B 163 2101 1655 1793 758 328 93 O ATOM 2975 CB ASP B 163 77.237 27.523 64.177 1.00 15.53 C ANISOU 2975 CB ASP B 163 2185 1790 1926 793 428 207 C ATOM 2976 CG ASP B 163 77.537 28.516 63.077 1.00 16.54 C ANISOU 2976 CG ASP B 163 2206 2145 1932 797 546 160 C ATOM 2977 OD1 ASP B 163 76.723 28.628 62.110 1.00 16.63 O ANISOU 2977 OD1 ASP B 163 2305 2139 1875 787 655 4 O ATOM 2978 OD2 ASP B 163 78.550 29.236 63.203 1.00 17.86 O ANISOU 2978 OD2 ASP B 163 2306 2539 1942 749 523 242 O ATOM 0 H ASP B 163 77.297 29.598 65.520 1.00 14.74 H new ATOM 0 HA ASP B 163 75.333 28.120 64.649 1.00 15.51 H new ATOM 0 HB2 ASP B 163 78.050 27.339 64.672 1.00 15.53 H new ATOM 0 HB3 ASP B 163 76.950 26.685 63.782 1.00 15.53 H new ATOM 2979 N ILE B 164 76.897 27.072 67.229 1.00 15.06 N ANISOU 2979 N ILE B 164 2061 1760 1903 838 361 338 N ATOM 2980 CA ILE B 164 76.894 26.142 68.368 1.00 16.06 C ANISOU 2980 CA ILE B 164 2153 1973 1976 807 294 375 C ATOM 2981 C ILE B 164 75.589 26.273 69.151 1.00 15.59 C ANISOU 2981 C ILE B 164 2173 1826 1923 700 241 331 C ATOM 2982 O ILE B 164 75.019 25.272 69.563 1.00 16.41 O ANISOU 2982 O ILE B 164 2369 1901 1964 692 224 274 O ATOM 2983 CB ILE B 164 78.098 26.395 69.273 1.00 16.79 C ANISOU 2983 CB ILE B 164 2152 2121 2106 908 293 385 C ATOM 2984 CG1 ILE B 164 79.397 26.011 68.551 1.00 17.76 C ANISOU 2984 CG1 ILE B 164 2165 2384 2199 1019 364 457 C ATOM 2985 CG2 ILE B 164 77.963 25.612 70.579 1.00 17.03 C ANISOU 2985 CG2 ILE B 164 2280 2042 2147 1008 247 369 C ATOM 2986 CD1 ILE B 164 80.644 26.515 69.241 1.00 17.55 C ANISOU 2986 CD1 ILE B 164 1888 2524 2258 1162 435 545 C ATOM 0 H ILE B 164 77.527 27.657 67.250 1.00 15.06 H new ATOM 0 HA ILE B 164 76.960 25.236 68.029 1.00 16.06 H new ATOM 0 HB ILE B 164 78.129 27.341 69.486 1.00 16.79 H new ATOM 0 HG12 ILE B 164 79.445 25.045 68.479 1.00 17.76 H new ATOM 0 HG13 ILE B 164 79.372 26.362 67.647 1.00 17.76 H new ATOM 0 HG21 ILE B 164 78.735 25.784 71.141 1.00 17.03 H new ATOM 0 HG22 ILE B 164 77.158 25.891 71.042 1.00 17.03 H new ATOM 0 HG23 ILE B 164 77.911 24.663 70.384 1.00 17.03 H new ATOM 0 HD11 ILE B 164 81.426 26.240 68.737 1.00 17.55 H new ATOM 0 HD12 ILE B 164 80.617 27.483 69.292 1.00 17.55 H new ATOM 0 HD13 ILE B 164 80.690 26.145 70.137 1.00 17.55 H new ATOM 2987 N ALA B 165 75.102 27.506 69.324 1.00 14.39 N ANISOU 2987 N ALA B 165 1875 1756 1837 513 221 232 N ATOM 2988 CA ALA B 165 73.852 27.731 70.036 1.00 14.71 C ANISOU 2988 CA ALA B 165 1976 1870 1744 513 225 162 C ATOM 2989 C ALA B 165 72.657 27.139 69.284 1.00 15.33 C ANISOU 2989 C ALA B 165 2077 1931 1815 404 121 115 C ATOM 2990 O ALA B 165 71.747 26.599 69.898 1.00 14.95 O ANISOU 2990 O ALA B 165 2022 1793 1867 369 39 159 O ATOM 2991 CB ALA B 165 73.648 29.205 70.269 1.00 13.67 C ANISOU 2991 CB ALA B 165 1796 1717 1681 455 380 222 C ATOM 0 H ALA B 165 75.483 28.221 69.035 1.00 14.39 H new ATOM 0 HA ALA B 165 73.912 27.278 70.891 1.00 14.71 H new ATOM 0 HB1 ALA B 165 72.814 29.345 70.743 1.00 13.67 H new ATOM 0 HB2 ALA B 165 74.383 29.554 70.798 1.00 13.67 H new ATOM 0 HB3 ALA B 165 73.616 29.666 69.416 1.00 13.67 H new ATOM 2992 N CYS B 166 72.654 27.283 67.961 1.00 15.01 N ANISOU 2992 N CYS B 166 2035 1828 1839 359 144 84 N ATOM 2993 CA CYS B 166 71.516 26.825 67.170 1.00 15.78 C ANISOU 2993 CA CYS B 166 2296 1849 1849 504 103 126 C ATOM 2994 C CYS B 166 71.455 25.321 66.950 1.00 16.26 C ANISOU 2994 C CYS B 166 2483 1802 1894 435 203 118 C ATOM 2995 O CYS B 166 70.374 24.749 66.878 1.00 16.47 O ANISOU 2995 O CYS B 166 2535 1811 1913 369 293 2 O ATOM 2996 CB CYS B 166 71.503 27.522 65.801 1.00 16.94 C ANISOU 2996 CB CYS B 166 2631 1998 1809 388 90 129 C ATOM 2997 SG CYS B 166 71.139 29.289 65.901 1.00 15.94 S ANISOU 2997 SG CYS B 166 2281 1961 1816 466 148 102 S ATOM 0 H CYS B 166 73.292 27.639 67.507 1.00 15.01 H new ATOM 0 HA CYS B 166 70.736 27.061 67.697 1.00 15.78 H new ATOM 0 HB2 CYS B 166 72.366 27.400 65.375 1.00 16.94 H new ATOM 0 HB3 CYS B 166 70.843 27.094 65.234 1.00 16.94 H new ATOM 0 HG CYS B 166 72.145 29.891 66.158 1.00 15.94 H new ATOM 2998 N TRP B 167 72.610 24.674 66.800 1.00 16.52 N ANISOU 2998 N TRP B 167 2595 1766 1915 408 279 181 N ATOM 2999 CA TRP B 167 72.624 23.303 66.307 1.00 17.19 C ANISOU 2999 CA TRP B 167 2790 1768 1972 589 291 189 C ATOM 3000 C TRP B 167 71.837 22.298 67.176 1.00 17.50 C ANISOU 3000 C TRP B 167 2867 1726 2056 397 265 136 C ATOM 3001 O TRP B 167 71.092 21.479 66.646 1.00 18.27 O ANISOU 3001 O TRP B 167 3278 1573 2092 318 264 56 O ATOM 3002 CB TRP B 167 74.061 22.800 66.106 1.00 17.47 C ANISOU 3002 CB TRP B 167 2871 1691 2076 620 339 157 C ATOM 3003 CG TRP B 167 74.072 21.437 65.453 1.00 19.35 C ANISOU 3003 CG TRP B 167 3361 1703 2289 767 341 80 C ATOM 3004 CD1 TRP B 167 74.000 21.159 64.114 1.00 21.51 C ANISOU 3004 CD1 TRP B 167 3732 1996 2444 825 365 11 C ATOM 3005 CD2 TRP B 167 74.086 20.174 66.124 1.00 20.76 C ANISOU 3005 CD2 TRP B 167 3732 1661 2493 830 243 65 C ATOM 3006 NE1 TRP B 167 74.026 19.789 63.909 1.00 23.46 N ANISOU 3006 NE1 TRP B 167 4291 2031 2590 625 237 -18 N ATOM 3007 CE2 TRP B 167 74.057 19.167 65.133 1.00 22.92 C ANISOU 3007 CE2 TRP B 167 4329 1722 2657 931 149 58 C ATOM 3008 CE3 TRP B 167 74.133 19.798 67.475 1.00 20.72 C ANISOU 3008 CE3 TRP B 167 3648 1617 2608 616 306 27 C ATOM 3009 CZ2 TRP B 167 74.067 17.806 65.454 1.00 24.67 C ANISOU 3009 CZ2 TRP B 167 4871 1654 2847 678 170 94 C ATOM 3010 CZ3 TRP B 167 74.158 18.446 67.793 1.00 21.78 C ANISOU 3010 CZ3 TRP B 167 3859 1679 2736 1111 251 12 C ATOM 3011 CH2 TRP B 167 74.115 17.469 66.789 1.00 22.70 C ANISOU 3011 CH2 TRP B 167 4318 1431 2876 818 236 49 C ATOM 0 H TRP B 167 73.384 25.006 66.975 1.00 16.52 H new ATOM 0 HA TRP B 167 72.163 23.344 65.455 1.00 17.19 H new ATOM 0 HB2 TRP B 167 74.554 23.429 65.556 1.00 17.47 H new ATOM 0 HB3 TRP B 167 74.514 22.756 66.962 1.00 17.47 H new ATOM 0 HD1 TRP B 167 73.942 21.797 63.440 1.00 21.51 H new ATOM 0 HE1 TRP B 167 74.023 19.395 63.145 1.00 23.46 H new ATOM 0 HE3 TRP B 167 74.147 20.442 68.145 1.00 20.72 H new ATOM 0 HZ2 TRP B 167 74.042 17.153 64.792 1.00 24.67 H new ATOM 0 HZ3 TRP B 167 74.204 18.185 68.685 1.00 21.78 H new ATOM 0 HH2 TRP B 167 74.119 16.571 67.030 1.00 22.70 H new ATOM 3012 N PRO B 168 72.019 22.331 68.506 1.00 16.37 N ANISOU 3012 N PRO B 168 2683 1453 2085 525 308 148 N ATOM 3013 CA PRO B 168 71.282 21.309 69.264 1.00 17.49 C ANISOU 3013 CA PRO B 168 2997 1535 2112 281 331 96 C ATOM 3014 C PRO B 168 69.789 21.425 69.126 1.00 17.52 C ANISOU 3014 C PRO B 168 3112 1530 2015 175 249 72 C ATOM 3015 O PRO B 168 69.073 20.423 69.274 1.00 17.96 O ANISOU 3015 O PRO B 168 3280 1459 2084 69 130 79 O ATOM 3016 CB PRO B 168 71.713 21.550 70.719 1.00 18.42 C ANISOU 3016 CB PRO B 168 3029 1791 2180 344 375 86 C ATOM 3017 CG PRO B 168 73.041 22.253 70.591 1.00 17.74 C ANISOU 3017 CG PRO B 168 2889 1671 2181 474 346 176 C ATOM 3018 CD PRO B 168 72.886 23.129 69.376 1.00 16.20 C ANISOU 3018 CD PRO B 168 2446 1566 2142 582 351 195 C ATOM 0 HA PRO B 168 71.484 20.418 68.938 1.00 17.49 H new ATOM 0 HB2 PRO B 168 71.067 22.094 71.196 1.00 18.42 H new ATOM 0 HB3 PRO B 168 71.797 20.716 71.208 1.00 18.42 H new ATOM 0 HG2 PRO B 168 73.241 22.778 71.382 1.00 17.74 H new ATOM 0 HG3 PRO B 168 73.767 21.620 70.480 1.00 17.74 H new ATOM 0 HD2 PRO B 168 72.484 23.984 69.598 1.00 16.20 H new ATOM 0 HD3 PRO B 168 73.740 23.317 68.957 1.00 16.20 H new ATOM 3019 N TRP B 169 69.302 22.637 68.875 1.00 16.24 N ANISOU 3019 N TRP B 169 2681 1601 1887 100 246 13 N ATOM 3020 CA TRP B 169 67.875 22.836 68.678 1.00 16.00 C ANISOU 3020 CA TRP B 169 2585 1650 1843 -34 166 28 C ATOM 3021 C TRP B 169 67.444 22.299 67.314 1.00 17.50 C ANISOU 3021 C TRP B 169 2827 1817 2004 -91 129 13 C ATOM 3022 O TRP B 169 66.420 21.635 67.189 1.00 17.87 O ANISOU 3022 O TRP B 169 2903 1715 2171 -284 64 70 O ATOM 3023 CB TRP B 169 67.501 24.305 68.846 1.00 14.73 C ANISOU 3023 CB TRP B 169 2221 1603 1774 56 134 135 C ATOM 3024 CG TRP B 169 67.320 24.666 70.287 1.00 14.78 C ANISOU 3024 CG TRP B 169 2194 1601 1822 85 101 179 C ATOM 3025 CD1 TRP B 169 68.187 25.348 71.099 1.00 15.24 C ANISOU 3025 CD1 TRP B 169 2239 1739 1812 -79 123 169 C ATOM 3026 CD2 TRP B 169 66.200 24.321 71.095 1.00 15.90 C ANISOU 3026 CD2 TRP B 169 2281 1815 1946 -75 85 159 C ATOM 3027 NE1 TRP B 169 67.661 25.461 72.377 1.00 15.49 N ANISOU 3027 NE1 TRP B 169 2171 1859 1856 -19 137 184 N ATOM 3028 CE2 TRP B 169 66.446 24.832 72.398 1.00 15.96 C ANISOU 3028 CE2 TRP B 169 2237 1892 1936 -12 104 204 C ATOM 3029 CE3 TRP B 169 65.014 23.634 70.849 1.00 17.39 C ANISOU 3029 CE3 TRP B 169 2509 2004 2093 -325 83 72 C ATOM 3030 CZ2 TRP B 169 65.536 24.676 73.429 1.00 16.58 C ANISOU 3030 CZ2 TRP B 169 2282 1988 2029 -147 88 203 C ATOM 3031 CZ3 TRP B 169 64.102 23.474 71.889 1.00 18.68 C ANISOU 3031 CZ3 TRP B 169 2633 2305 2161 -341 112 109 C ATOM 3032 CH2 TRP B 169 64.367 23.985 73.158 1.00 17.63 C ANISOU 3032 CH2 TRP B 169 2367 2221 2109 -216 123 150 C ATOM 0 H TRP B 169 69.779 23.350 68.816 1.00 16.24 H new ATOM 0 HA TRP B 169 67.397 22.336 69.359 1.00 16.00 H new ATOM 0 HB2 TRP B 169 68.193 24.862 68.456 1.00 14.73 H new ATOM 0 HB3 TRP B 169 66.682 24.489 68.360 1.00 14.73 H new ATOM 0 HD1 TRP B 169 69.011 25.687 70.831 1.00 15.24 H new ATOM 0 HE1 TRP B 169 68.034 25.858 73.042 1.00 15.49 H new ATOM 0 HE3 TRP B 169 64.834 23.288 70.005 1.00 17.39 H new ATOM 0 HZ2 TRP B 169 65.704 25.023 74.275 1.00 16.58 H new ATOM 0 HZ3 TRP B 169 63.305 23.020 71.735 1.00 18.68 H new ATOM 0 HH2 TRP B 169 63.745 23.859 73.838 1.00 17.63 H new ATOM 3033 N VAL B 170 68.235 22.569 66.291 1.00 17.23 N ANISOU 3033 N VAL B 170 2959 1585 2004 112 153 5 N ATOM 3034 CA VAL B 170 67.939 22.000 64.979 1.00 18.26 C ANISOU 3034 CA VAL B 170 3165 1711 2063 153 142 -68 C ATOM 3035 C VAL B 170 68.059 20.497 65.005 1.00 19.51 C ANISOU 3035 C VAL B 170 3427 1744 2243 -177 129 -132 C ATOM 3036 O VAL B 170 67.330 19.788 64.305 1.00 20.26 O ANISOU 3036 O VAL B 170 3627 1789 2281 -254 129 -335 O ATOM 3037 CB VAL B 170 68.852 22.626 63.897 1.00 17.87 C ANISOU 3037 CB VAL B 170 3094 1691 2005 202 136 -170 C ATOM 3038 CG1 VAL B 170 68.677 21.914 62.548 1.00 18.54 C ANISOU 3038 CG1 VAL B 170 3287 1754 2005 227 134 -328 C ATOM 3039 CG2 VAL B 170 68.494 24.097 63.724 1.00 17.17 C ANISOU 3039 CG2 VAL B 170 2913 1641 1970 66 74 -74 C ATOM 0 H VAL B 170 68.935 23.068 66.327 1.00 17.23 H new ATOM 0 HA VAL B 170 67.021 22.213 64.751 1.00 18.26 H new ATOM 0 HB VAL B 170 69.773 22.531 64.185 1.00 17.87 H new ATOM 0 HG11 VAL B 170 69.258 22.323 61.888 1.00 18.54 H new ATOM 0 HG12 VAL B 170 68.908 20.977 62.644 1.00 18.54 H new ATOM 0 HG13 VAL B 170 67.755 21.991 62.258 1.00 18.54 H new ATOM 0 HG21 VAL B 170 69.065 24.492 63.046 1.00 17.17 H new ATOM 0 HG22 VAL B 170 67.567 24.175 63.450 1.00 17.17 H new ATOM 0 HG23 VAL B 170 68.622 24.563 64.565 1.00 17.17 H new ATOM 3040 N ASN B 171 68.980 19.990 65.812 1.00 20.43 N ANISOU 3040 N ASN B 171 3592 1696 2474 -73 177 -47 N ATOM 3041 CA ASN B 171 69.156 18.542 65.922 1.00 22.61 C ANISOU 3041 CA ASN B 171 4006 1795 2790 -19 180 -12 C ATOM 3042 C ASN B 171 67.929 17.842 66.522 1.00 24.26 C ANISOU 3042 C ASN B 171 4244 1902 3071 -123 190 -64 C ATOM 3043 O ASN B 171 67.778 16.620 66.411 1.00 23.40 O ANISOU 3043 O ASN B 171 3970 1688 3234 246 210 -25 O ATOM 3044 CB ASN B 171 70.403 18.215 66.745 1.00 22.92 C ANISOU 3044 CB ASN B 171 3793 2115 2799 231 204 104 C ATOM 3045 CG ASN B 171 70.815 16.761 66.627 1.00 23.67 C ANISOU 3045 CG ASN B 171 4284 1884 2826 236 203 139 C ATOM 3046 OD1 ASN B 171 71.010 16.246 65.526 1.00 24.11 O ANISOU 3046 OD1 ASN B 171 4424 1881 2854 247 157 169 O ATOM 3047 ND2 ASN B 171 70.948 16.089 67.765 1.00 23.79 N ANISOU 3047 ND2 ASN B 171 4364 1833 2841 210 249 142 N ATOM 0 H ASN B 171 69.510 20.458 66.301 1.00 20.43 H new ATOM 0 HA ASN B 171 69.266 18.204 65.020 1.00 22.61 H new ATOM 0 HB2 ASN B 171 71.136 18.780 66.454 1.00 22.92 H new ATOM 0 HB3 ASN B 171 70.236 18.426 67.677 1.00 22.92 H new ATOM 0 HD21 ASN B 171 71.179 15.261 67.751 1.00 23.79 H new ATOM 0 HD22 ASN B 171 70.803 16.482 68.516 1.00 23.79 H new ATOM 3048 N ALA B 172 67.059 18.628 67.156 1.00 25.82 N ANISOU 3048 N ALA B 172 4292 2371 3147 -211 179 -174 N ATOM 3049 CA ALA B 172 65.790 18.109 67.678 1.00 27.01 C ANISOU 3049 CA ALA B 172 4328 2682 3254 -293 81 -101 C ATOM 3050 C ALA B 172 64.649 18.250 66.667 1.00 28.18 C ANISOU 3050 C ALA B 172 4586 2755 3366 -594 -19 -54 C ATOM 3051 O ALA B 172 63.489 18.139 67.035 1.00 30.58 O ANISOU 3051 O ALA B 172 4712 3384 3523 -538 -75 -70 O ATOM 3052 CB ALA B 172 65.439 18.812 69.003 1.00 28.00 C ANISOU 3052 CB ALA B 172 4092 3273 3273 129 104 39 C ATOM 0 H ALA B 172 67.184 19.467 67.295 1.00 25.82 H new ATOM 0 HA ALA B 172 65.904 17.160 67.842 1.00 27.01 H new ATOM 0 HB1 ALA B 172 64.599 18.464 69.342 1.00 28.00 H new ATOM 0 HB2 ALA B 172 66.141 18.649 69.652 1.00 28.00 H new ATOM 0 HB3 ALA B 172 65.355 19.766 68.851 1.00 28.00 H new ATOM 3053 N TRP B 173 64.976 18.476 65.399 1.00 27.33 N ANISOU 3053 N TRP B 173 4547 2521 3316 -724 -29 17 N ATOM 3054 CA TRP B 173 63.962 18.709 64.368 1.00 27.67 C ANISOU 3054 CA TRP B 173 4652 2471 3391 -701 -145 -111 C ATOM 3055 C TRP B 173 62.876 17.637 64.297 1.00 29.08 C ANISOU 3055 C TRP B 173 4840 2711 3497 -864 -262 -236 C ATOM 3056 O TRP B 173 61.734 17.945 63.960 1.00 28.44 O ANISOU 3056 O TRP B 173 4722 2661 3424 -859 -212 -161 O ATOM 3057 CB TRP B 173 64.628 18.873 62.981 1.00 31.73 C ANISOU 3057 CB TRP B 173 5222 3143 3691 -451 -90 -236 C ATOM 3058 CG TRP B 173 65.279 17.598 62.468 1.00 37.10 C ANISOU 3058 CG TRP B 173 6088 3539 4470 -450 40 -515 C ATOM 3059 CD1 TRP B 173 66.534 17.143 62.746 1.00 35.78 C ANISOU 3059 CD1 TRP B 173 5941 3171 4482 -481 89 -547 C ATOM 3060 CD2 TRP B 173 64.672 16.611 61.635 1.00 44.65 C ANISOU 3060 CD2 TRP B 173 7082 4274 5609 -606 -158 -730 C ATOM 3061 NE1 TRP B 173 66.752 15.941 62.126 1.00 38.89 N ANISOU 3061 NE1 TRP B 173 6522 3203 5053 59 70 -602 N ATOM 3062 CE2 TRP B 173 65.623 15.593 61.430 1.00 46.79 C ANISOU 3062 CE2 TRP B 173 7510 4300 5968 -365 -233 -841 C ATOM 3063 CE3 TRP B 173 63.421 16.497 61.033 1.00 52.42 C ANISOU 3063 CE3 TRP B 173 7724 5507 6688 -407 -746 -1001 C ATOM 3064 CZ2 TRP B 173 65.353 14.467 60.646 1.00 57.24 C ANISOU 3064 CZ2 TRP B 173 9086 5538 7124 -603 -808 -1441 C ATOM 3065 CZ3 TRP B 173 63.150 15.384 60.250 1.00 58.67 C ANISOU 3065 CZ3 TRP B 173 8750 6030 7511 -522 -1325 -1672 C ATOM 3066 CH2 TRP B 173 64.111 14.379 60.067 1.00 62.98 C ANISOU 3066 CH2 TRP B 173 9104 7089 7737 -202 -1215 -2054 C ATOM 0 H TRP B 173 65.786 18.499 65.110 1.00 27.33 H new ATOM 0 HA TRP B 173 63.514 19.529 64.628 1.00 27.67 H new ATOM 0 HB2 TRP B 173 63.960 19.167 62.342 1.00 31.73 H new ATOM 0 HB3 TRP B 173 65.298 19.572 63.032 1.00 31.73 H new ATOM 0 HD1 TRP B 173 67.153 17.585 63.280 1.00 35.78 H new ATOM 0 HE1 TRP B 173 67.477 15.481 62.167 1.00 38.89 H new ATOM 0 HE3 TRP B 173 62.777 17.157 61.154 1.00 52.42 H new ATOM 0 HZ2 TRP B 173 65.991 13.802 60.521 1.00 57.24 H new ATOM 0 HZ3 TRP B 173 62.319 15.303 59.841 1.00 58.67 H new ATOM 0 HH2 TRP B 173 63.903 13.639 59.544 1.00 62.98 H new ATOM 3067 N THR B 174 63.215 16.388 64.618 1.00 30.47 N ANISOU 3067 N THR B 174 5130 2583 3866 -962 -358 -376 N ATOM 3068 CA THR B 174 62.219 15.310 64.611 1.00 34.09 C ANISOU 3068 CA THR B 174 5636 2873 4442 -1239 -191 -308 C ATOM 3069 C THR B 174 61.108 15.561 65.631 1.00 34.09 C ANISOU 3069 C THR B 174 5685 2813 4454 -1688 -171 -119 C ATOM 3070 O THR B 174 59.939 15.264 65.376 1.00 37.38 O ANISOU 3070 O THR B 174 5951 3538 4713 -1645 -76 -160 O ATOM 3071 CB THR B 174 62.865 13.933 64.856 1.00 38.72 C ANISOU 3071 CB THR B 174 6600 3088 5025 -721 -151 -372 C ATOM 3072 OG1 THR B 174 63.617 13.966 66.079 1.00 42.96 O ANISOU 3072 OG1 THR B 174 6678 4089 5556 86 -169 217 O ATOM 3073 CG2 THR B 174 63.800 13.575 63.713 1.00 35.31 C ANISOU 3073 CG2 THR B 174 6051 2451 4915 -461 -219 -957 C ATOM 0 H THR B 174 64.009 16.143 64.841 1.00 30.47 H new ATOM 0 HA THR B 174 61.823 15.305 63.725 1.00 34.09 H new ATOM 0 HB THR B 174 62.162 13.267 64.914 1.00 38.72 H new ATOM 0 HG1 THR B 174 64.378 14.290 65.932 1.00 42.96 H new ATOM 0 HG21 THR B 174 64.199 12.707 63.881 1.00 35.31 H new ATOM 0 HG22 THR B 174 63.300 13.545 62.883 1.00 35.31 H new ATOM 0 HG23 THR B 174 64.499 14.244 63.645 1.00 35.31 H new ATOM 3074 N ARG B 175 61.445 16.171 66.754 1.00 32.26 N ANISOU 3074 N ARG B 175 5040 2894 4322 -1318 -292 66 N ATOM 3075 CA ARG B 175 60.450 16.402 67.798 1.00 33.46 C ANISOU 3075 CA ARG B 175 5020 3352 4342 -1293 -234 216 C ATOM 3076 C ARG B 175 59.532 17.564 67.420 1.00 31.56 C ANISOU 3076 C ARG B 175 4645 3198 4149 -1319 -244 222 C ATOM 3077 O ARG B 175 58.496 17.763 68.029 1.00 34.14 O ANISOU 3077 O ARG B 175 5080 3449 4442 -1082 -258 386 O ATOM 3078 CB ARG B 175 61.119 16.755 69.129 1.00 37.13 C ANISOU 3078 CB ARG B 175 5464 4012 4633 -1457 -165 259 C ATOM 3079 CG ARG B 175 62.024 15.682 69.734 1.00 40.05 C ANISOU 3079 CG ARG B 175 6418 3866 4935 -1159 -173 403 C ATOM 3080 CD ARG B 175 62.412 16.076 71.158 1.00 46.19 C ANISOU 3080 CD ARG B 175 7303 4831 5417 -240 -148 566 C ATOM 3081 NE ARG B 175 61.223 16.067 72.019 1.00 53.70 N ANISOU 3081 NE ARG B 175 7814 6953 5635 -141 -60 419 N ATOM 3082 CZ ARG B 175 61.091 16.743 73.162 1.00 54.79 C ANISOU 3082 CZ ARG B 175 7558 7353 5908 -1344 -142 953 C ATOM 3083 NH1 ARG B 175 62.099 17.497 73.626 1.00 54.64 N ANISOU 3083 NH1 ARG B 175 8489 6201 6071 -1559 -394 1429 N ATOM 3084 NH2 ARG B 175 59.946 16.664 73.845 1.00 46.98 N ANISOU 3084 NH2 ARG B 175 6184 5810 5856 -2862 -231 1288 N ATOM 0 H ARG B 175 62.235 16.458 66.935 1.00 32.26 H new ATOM 0 HA ARG B 175 59.940 15.582 67.889 1.00 33.46 H new ATOM 0 HB2 ARG B 175 61.644 17.561 69.002 1.00 37.13 H new ATOM 0 HB3 ARG B 175 60.425 16.967 69.773 1.00 37.13 H new ATOM 0 HG2 ARG B 175 61.567 14.827 69.739 1.00 40.05 H new ATOM 0 HG3 ARG B 175 62.820 15.575 69.191 1.00 40.05 H new ATOM 0 HD2 ARG B 175 63.076 15.459 71.503 1.00 46.19 H new ATOM 0 HD3 ARG B 175 62.816 16.958 71.160 1.00 46.19 H new ATOM 0 HE ARG B 175 60.556 15.586 71.766 1.00 53.70 H new ATOM 0 HH11 ARG B 175 62.836 17.547 73.186 1.00 54.64 H new ATOM 0 HH12 ARG B 175 62.008 17.930 74.363 1.00 54.64 H new ATOM 0 HH21 ARG B 175 59.300 16.180 73.547 1.00 46.98 H new ATOM 0 HH22 ARG B 175 59.854 17.097 74.582 1.00 46.98 H new ATOM 3085 N GLN B 176 59.938 18.330 66.416 1.00 29.35 N ANISOU 3085 N GLN B 176 4282 3176 3694 -1100 -244 -58 N ATOM 3086 CA GLN B 176 59.294 19.603 66.064 1.00 26.46 C ANISOU 3086 CA GLN B 176 3932 2725 3398 -1202 -216 -208 C ATOM 3087 C GLN B 176 58.371 19.480 64.867 1.00 28.59 C ANISOU 3087 C GLN B 176 3981 3227 3653 -1382 -276 -220 C ATOM 3088 O GLN B 176 57.766 20.479 64.438 1.00 27.06 O ANISOU 3088 O GLN B 176 3527 3191 3565 -1206 -397 -364 O ATOM 3089 CB GLN B 176 60.371 20.649 65.769 1.00 24.25 C ANISOU 3089 CB GLN B 176 3457 2656 3102 -1051 -196 -222 C ATOM 3090 CG GLN B 176 61.190 20.972 67.000 1.00 23.23 C ANISOU 3090 CG GLN B 176 3292 2541 2992 -1071 -153 -78 C ATOM 3091 CD GLN B 176 62.581 21.472 66.664 1.00 23.43 C ANISOU 3091 CD GLN B 176 3173 2687 3042 -737 19 -45 C ATOM 3092 OE1 GLN B 176 62.852 21.903 65.533 1.00 24.67 O ANISOU 3092 OE1 GLN B 176 3401 2925 3047 -489 39 -93 O ATOM 3093 NE2 GLN B 176 63.471 21.406 67.635 1.00 24.84 N ANISOU 3093 NE2 GLN B 176 3223 3157 3058 -1126 178 -47 N ATOM 0 H GLN B 176 60.603 18.128 65.910 1.00 29.35 H new ATOM 0 HA GLN B 176 58.750 19.872 66.821 1.00 26.46 H new ATOM 0 HB2 GLN B 176 60.956 20.323 65.067 1.00 24.25 H new ATOM 0 HB3 GLN B 176 59.953 21.459 65.436 1.00 24.25 H new ATOM 0 HG2 GLN B 176 60.727 21.644 67.525 1.00 23.23 H new ATOM 0 HG3 GLN B 176 61.261 20.179 67.554 1.00 23.23 H new ATOM 0 HE21 GLN B 176 63.244 21.101 68.406 1.00 24.84 H new ATOM 0 HE22 GLN B 176 64.278 21.668 67.497 1.00 24.84 H new ATOM 3094 N ARG B 177 58.307 18.265 64.309 1.00 32.09 N ANISOU 3094 N ARG B 177 4510 3575 4108 -1962 -351 -143 N ATOM 3095 CA ARG B 177 57.493 17.956 63.132 1.00 36.81 C ANISOU 3095 CA ARG B 177 5153 4140 4694 -2020 -637 -234 C ATOM 3096 C ARG B 177 57.912 18.824 61.940 1.00 36.10 C ANISOU 3096 C ARG B 177 4954 4528 4233 -1557 -760 -384 C ATOM 3097 O ARG B 177 57.083 19.322 61.180 1.00 36.14 O ANISOU 3097 O ARG B 177 5015 4585 4133 -2017 -1058 -552 O ATOM 3098 CB ARG B 177 56.004 18.100 63.467 1.00 42.76 C ANISOU 3098 CB ARG B 177 5405 4959 5881 -1869 -519 -161 C ATOM 3099 CG ARG B 177 55.563 17.039 64.474 1.00 50.41 C ANISOU 3099 CG ARG B 177 6665 5448 7040 -1678 110 357 C ATOM 3100 CD ARG B 177 54.088 17.017 64.805 1.00 55.78 C ANISOU 3100 CD ARG B 177 7153 6290 7752 -1880 559 926 C ATOM 3101 NE ARG B 177 53.598 18.313 65.265 1.00 64.90 N ANISOU 3101 NE ARG B 177 8433 8084 8143 -1069 435 401 N ATOM 3102 CZ ARG B 177 52.747 19.084 64.587 1.00 66.82 C ANISOU 3102 CZ ARG B 177 8367 8974 8046 -1240 -381 -833 C ATOM 3103 NH1 ARG B 177 52.274 18.697 63.406 1.00 65.21 N ANISOU 3103 NH1 ARG B 177 7044 9501 8232 -3024 -1455 -1617 N ATOM 3104 NH2 ARG B 177 52.364 20.254 65.085 1.00 65.00 N ANISOU 3104 NH2 ARG B 177 8386 8541 7770 -1331 16 -1184 N ATOM 0 H ARG B 177 58.744 17.588 64.611 1.00 32.09 H new ATOM 0 HA ARG B 177 57.643 17.033 62.873 1.00 36.81 H new ATOM 0 HB2 ARG B 177 55.835 18.984 63.829 1.00 42.76 H new ATOM 0 HB3 ARG B 177 55.478 18.020 62.656 1.00 42.76 H new ATOM 0 HG2 ARG B 177 55.813 16.167 64.130 1.00 50.41 H new ATOM 0 HG3 ARG B 177 56.060 17.172 65.297 1.00 50.41 H new ATOM 0 HD2 ARG B 177 53.587 16.746 64.020 1.00 55.78 H new ATOM 0 HD3 ARG B 177 53.923 16.351 65.490 1.00 55.78 H new ATOM 0 HE ARG B 177 53.878 18.599 66.026 1.00 64.90 H new ATOM 0 HH11 ARG B 177 52.516 17.943 63.072 1.00 65.21 H new ATOM 0 HH12 ARG B 177 51.726 19.201 62.976 1.00 65.21 H new ATOM 0 HH21 ARG B 177 52.665 20.516 65.847 1.00 65.00 H new ATOM 0 HH22 ARG B 177 51.815 20.749 64.646 1.00 65.00 H new ATOM 3105 N ILE B 178 59.216 19.018 61.815 1.00 33.14 N ANISOU 3105 N ILE B 178 4983 3582 4027 -1147 -467 -423 N ATOM 3106 CA ILE B 178 59.804 19.805 60.745 1.00 33.95 C ANISOU 3106 CA ILE B 178 5334 3525 4042 -965 -366 -468 C ATOM 3107 C ILE B 178 60.373 18.837 59.731 1.00 35.33 C ANISOU 3107 C ILE B 178 5987 3533 3902 -901 -336 -634 C ATOM 3108 O ILE B 178 60.998 17.857 60.095 1.00 36.05 O ANISOU 3108 O ILE B 178 6579 3350 3767 -558 -62 -691 O ATOM 3109 CB ILE B 178 60.926 20.736 61.304 1.00 34.65 C ANISOU 3109 CB ILE B 178 5219 3606 4341 -998 -305 -396 C ATOM 3110 CG1 ILE B 178 60.307 21.986 61.927 1.00 37.21 C ANISOU 3110 CG1 ILE B 178 5554 4003 4580 -675 -291 -267 C ATOM 3111 CG2 ILE B 178 61.936 21.122 60.239 1.00 32.16 C ANISOU 3111 CG2 ILE B 178 4653 3198 4369 -816 -245 -487 C ATOM 3112 CD1 ILE B 178 59.532 22.848 60.943 1.00 39.11 C ANISOU 3112 CD1 ILE B 178 5224 4836 4799 -97 -315 -146 C ATOM 0 H ILE B 178 59.795 18.690 62.360 1.00 33.14 H new ATOM 0 HA ILE B 178 59.134 20.373 60.333 1.00 33.95 H new ATOM 0 HB ILE B 178 61.405 20.238 61.985 1.00 34.65 H new ATOM 0 HG12 ILE B 178 59.713 21.718 62.646 1.00 37.21 H new ATOM 0 HG13 ILE B 178 61.012 22.520 62.326 1.00 37.21 H new ATOM 0 HG21 ILE B 178 62.612 21.698 60.628 1.00 32.16 H new ATOM 0 HG22 ILE B 178 62.357 20.322 59.887 1.00 32.16 H new ATOM 0 HG23 ILE B 178 61.485 21.593 59.521 1.00 32.16 H new ATOM 0 HD11 ILE B 178 59.169 23.620 61.405 1.00 39.11 H new ATOM 0 HD12 ILE B 178 60.125 23.145 60.235 1.00 39.11 H new ATOM 0 HD13 ILE B 178 58.807 22.330 60.560 1.00 39.11 H new ATOM 3113 N ASP B 179 60.147 19.111 58.457 1.00 36.12 N ANISOU 3113 N ASP B 179 5653 4031 4040 -1088 -523 -641 N ATOM 3114 CA ASP B 179 60.817 18.365 57.410 1.00 37.46 C ANISOU 3114 CA ASP B 179 6046 4008 4178 -1169 -538 -639 C ATOM 3115 C ASP B 179 62.077 19.146 57.041 1.00 33.25 C ANISOU 3115 C ASP B 179 5617 3304 3713 -905 -490 -649 C ATOM 3116 O ASP B 179 62.015 20.143 56.321 1.00 31.33 O ANISOU 3116 O ASP B 179 5271 3005 3627 -978 -291 -706 O ATOM 3117 CB ASP B 179 59.909 18.190 56.208 1.00 38.72 C ANISOU 3117 CB ASP B 179 6141 3915 4655 -1782 -531 -818 C ATOM 3118 CG ASP B 179 60.545 17.362 55.104 1.00 46.13 C ANISOU 3118 CG ASP B 179 7366 5280 4883 -1414 -401 -1071 C ATOM 3119 OD1 ASP B 179 61.653 16.818 55.298 1.00 46.83 O ANISOU 3119 OD1 ASP B 179 7590 4901 5303 -588 -200 -854 O ATOM 3120 OD2 ASP B 179 59.907 17.264 54.040 1.00 47.72 O ANISOU 3120 OD2 ASP B 179 7502 5864 4765 -2151 -405 -1658 O ATOM 0 H ASP B 179 59.611 19.723 58.179 1.00 36.12 H new ATOM 0 HA ASP B 179 61.048 17.474 57.715 1.00 37.46 H new ATOM 0 HB2 ASP B 179 59.084 17.765 56.490 1.00 38.72 H new ATOM 0 HB3 ASP B 179 59.673 19.063 55.857 1.00 38.72 H new ATOM 3121 N LEU B 180 63.215 18.665 57.520 1.00 32.10 N ANISOU 3121 N LEU B 180 5697 2854 3644 -691 -629 -811 N ATOM 3122 CA LEU B 180 64.463 19.374 57.337 1.00 33.42 C ANISOU 3122 CA LEU B 180 5828 3063 3806 -350 -584 -996 C ATOM 3123 C LEU B 180 64.827 19.536 55.855 1.00 33.15 C ANISOU 3123 C LEU B 180 5853 3078 3665 -363 -377 -907 C ATOM 3124 O LEU B 180 65.526 20.470 55.495 1.00 33.49 O ANISOU 3124 O LEU B 180 5791 3188 3744 -199 -310 -592 O ATOM 3125 CB LEU B 180 65.560 18.654 58.121 1.00 35.97 C ANISOU 3125 CB LEU B 180 6134 3502 4031 237 -550 -1001 C ATOM 3126 CG LEU B 180 66.742 19.484 58.585 1.00 34.98 C ANISOU 3126 CG LEU B 180 5747 3536 4009 57 -354 -654 C ATOM 3127 CD1 LEU B 180 66.299 20.646 59.449 1.00 33.85 C ANISOU 3127 CD1 LEU B 180 5448 3244 4171 -233 -425 -615 C ATOM 3128 CD2 LEU B 180 67.691 18.596 59.360 1.00 35.97 C ANISOU 3128 CD2 LEU B 180 6297 3472 3899 -36 -242 -417 C ATOM 0 H LEU B 180 63.283 17.926 57.955 1.00 32.10 H new ATOM 0 HA LEU B 180 64.366 20.276 57.681 1.00 33.42 H new ATOM 0 HB2 LEU B 180 65.153 18.248 58.902 1.00 35.97 H new ATOM 0 HB3 LEU B 180 65.899 17.932 57.569 1.00 35.97 H new ATOM 0 HG LEU B 180 67.188 19.852 57.806 1.00 34.98 H new ATOM 0 HD11 LEU B 180 67.075 21.156 59.729 1.00 33.85 H new ATOM 0 HD12 LEU B 180 65.703 21.218 58.941 1.00 33.85 H new ATOM 0 HD13 LEU B 180 65.835 20.309 60.231 1.00 33.85 H new ATOM 0 HD21 LEU B 180 68.451 19.119 59.661 1.00 35.97 H new ATOM 0 HD22 LEU B 180 67.231 18.223 60.128 1.00 35.97 H new ATOM 0 HD23 LEU B 180 68.001 17.876 58.788 1.00 35.97 H new ATOM 3129 N ALA B 181 64.309 18.654 54.997 1.00 33.51 N ANISOU 3129 N ALA B 181 6016 3298 3419 -314 -317 -1004 N ATOM 3130 CA ALA B 181 64.572 18.731 53.566 1.00 33.54 C ANISOU 3130 CA ALA B 181 6070 3461 3213 -452 -456 -1005 C ATOM 3131 C ALA B 181 63.916 19.942 52.935 1.00 32.76 C ANISOU 3131 C ALA B 181 5956 3462 3030 -659 -452 -933 C ATOM 3132 O ALA B 181 64.285 20.342 51.838 1.00 35.01 O ANISOU 3132 O ALA B 181 6377 4033 2893 -469 -480 -978 O ATOM 3133 CB ALA B 181 64.109 17.459 52.871 1.00 36.67 C ANISOU 3133 CB ALA B 181 7080 3686 3167 -961 -496 -1052 C ATOM 0 H ALA B 181 63.800 18.001 55.229 1.00 33.51 H new ATOM 0 HA ALA B 181 65.531 18.824 53.452 1.00 33.54 H new ATOM 0 HB1 ALA B 181 64.290 17.525 51.920 1.00 36.67 H new ATOM 0 HB2 ALA B 181 64.585 16.698 53.238 1.00 36.67 H new ATOM 0 HB3 ALA B 181 63.156 17.342 53.011 1.00 36.67 H new ATOM 3134 N MET B 182 62.951 20.535 53.630 1.00 32.82 N ANISOU 3134 N MET B 182 5702 3669 3099 -827 -364 -846 N ATOM 3135 CA MET B 182 62.306 21.755 53.151 1.00 32.83 C ANISOU 3135 CA MET B 182 5610 3585 3278 -773 -454 -870 C ATOM 3136 C MET B 182 63.217 22.968 53.321 1.00 29.81 C ANISOU 3136 C MET B 182 5083 3459 2785 -510 -465 -646 C ATOM 3137 O MET B 182 62.924 24.037 52.800 1.00 31.06 O ANISOU 3137 O MET B 182 5159 3802 2840 -407 -426 -514 O ATOM 3138 CB MET B 182 60.991 21.987 53.892 1.00 37.04 C ANISOU 3138 CB MET B 182 5979 4018 4075 -801 -635 -986 C ATOM 3139 CG MET B 182 59.945 20.892 53.647 1.00 44.53 C ANISOU 3139 CG MET B 182 6506 5296 5117 -1353 -1125 -1023 C ATOM 3140 SD MET B 182 59.408 20.835 51.929 1.00 55.43 S ANISOU 3140 SD MET B 182 7935 6875 6250 -1640 -1561 -676 S ATOM 3141 CE MET B 182 58.987 22.561 51.624 1.00 59.54 C ANISOU 3141 CE MET B 182 8170 7510 6944 18 -1828 -94 C ATOM 0 H MET B 182 62.654 20.247 54.384 1.00 32.82 H new ATOM 0 HA MET B 182 62.125 21.641 52.205 1.00 32.83 H new ATOM 0 HB2 MET B 182 61.171 22.045 54.843 1.00 37.04 H new ATOM 0 HB3 MET B 182 60.622 22.842 53.621 1.00 37.04 H new ATOM 0 HG2 MET B 182 60.316 20.031 53.897 1.00 44.53 H new ATOM 0 HG3 MET B 182 59.177 21.047 54.219 1.00 44.53 H new ATOM 0 HE1 MET B 182 58.385 22.618 50.866 1.00 59.54 H new ATOM 0 HE2 MET B 182 58.554 22.932 52.409 1.00 59.54 H new ATOM 0 HE3 MET B 182 59.795 23.063 51.433 1.00 59.54 H new ATOM 3142 N TYR B 183 64.301 22.788 54.065 1.00 25.39 N ANISOU 3142 N TYR B 183 4560 2776 2311 -347 -449 -483 N ATOM 3143 CA TYR B 183 65.257 23.854 54.385 1.00 23.85 C ANISOU 3143 CA TYR B 183 4450 2451 2161 63 -419 -535 C ATOM 3144 C TYR B 183 66.677 23.350 54.031 1.00 25.51 C ANISOU 3144 C TYR B 183 4665 2877 2151 47 -244 -581 C ATOM 3145 O TYR B 183 67.478 23.019 54.917 1.00 24.18 O ANISOU 3145 O TYR B 183 4354 2677 2155 49 -111 -455 O ATOM 3146 CB TYR B 183 65.153 24.235 55.880 1.00 23.89 C ANISOU 3146 CB TYR B 183 4232 2534 2311 84 -458 -506 C ATOM 3147 CG TYR B 183 63.734 24.580 56.278 1.00 25.04 C ANISOU 3147 CG TYR B 183 4126 2843 2545 -198 -590 -433 C ATOM 3148 CD1 TYR B 183 63.214 25.832 56.021 1.00 24.45 C ANISOU 3148 CD1 TYR B 183 3932 2801 2558 -397 -688 -626 C ATOM 3149 CD2 TYR B 183 62.890 23.619 56.845 1.00 25.84 C ANISOU 3149 CD2 TYR B 183 4134 3000 2685 -216 -566 -215 C ATOM 3150 CE1 TYR B 183 61.907 26.152 56.361 1.00 25.62 C ANISOU 3150 CE1 TYR B 183 3923 3195 2618 -535 -599 -609 C ATOM 3151 CE2 TYR B 183 61.586 23.919 57.182 1.00 26.05 C ANISOU 3151 CE2 TYR B 183 4171 2962 2763 -507 -422 -319 C ATOM 3152 CZ TYR B 183 61.094 25.188 56.925 1.00 26.65 C ANISOU 3152 CZ TYR B 183 4095 3265 2767 -500 -486 -492 C ATOM 3153 OH TYR B 183 59.788 25.498 57.225 1.00 27.85 O ANISOU 3153 OH TYR B 183 4103 3608 2869 -552 -558 -538 O ATOM 0 H TYR B 183 64.510 22.028 54.408 1.00 25.39 H new ATOM 0 HA TYR B 183 65.060 24.652 53.870 1.00 23.85 H new ATOM 0 HB2 TYR B 183 65.471 23.497 56.424 1.00 23.89 H new ATOM 0 HB3 TYR B 183 65.732 24.992 56.062 1.00 23.89 H new ATOM 0 HD1 TYR B 183 63.749 26.473 55.612 1.00 24.45 H new ATOM 0 HD2 TYR B 183 63.214 22.761 56.998 1.00 25.84 H new ATOM 0 HE1 TYR B 183 61.581 27.010 56.210 1.00 25.62 H new ATOM 0 HE2 TYR B 183 61.043 23.276 57.578 1.00 26.05 H new ATOM 0 HH TYR B 183 59.410 24.826 57.559 1.00 27.85 H new ATOM 3154 N PRO B 184 66.993 23.305 52.735 1.00 26.84 N ANISOU 3154 N PRO B 184 5029 3005 2163 137 -108 -592 N ATOM 3155 CA PRO B 184 68.203 22.595 52.291 1.00 28.67 C ANISOU 3155 CA PRO B 184 5303 3445 2144 208 -46 -612 C ATOM 3156 C PRO B 184 69.493 23.153 52.874 1.00 26.36 C ANISOU 3156 C PRO B 184 5119 2889 2007 434 115 -618 C ATOM 3157 O PRO B 184 70.395 22.377 53.184 1.00 26.75 O ANISOU 3157 O PRO B 184 5155 2965 2042 761 187 -579 O ATOM 3158 CB PRO B 184 68.181 22.764 50.770 1.00 30.62 C ANISOU 3158 CB PRO B 184 5594 3830 2212 36 -235 -688 C ATOM 3159 CG PRO B 184 66.770 23.074 50.437 1.00 30.80 C ANISOU 3159 CG PRO B 184 5812 3696 2193 -115 -271 -810 C ATOM 3160 CD PRO B 184 66.194 23.809 51.601 1.00 27.72 C ANISOU 3160 CD PRO B 184 5319 3063 2151 -7 -139 -624 C ATOM 0 HA PRO B 184 68.192 21.672 52.588 1.00 28.67 H new ATOM 0 HB2 PRO B 184 68.773 23.478 50.488 1.00 30.62 H new ATOM 0 HB3 PRO B 184 68.478 21.956 50.323 1.00 30.62 H new ATOM 0 HG2 PRO B 184 66.718 23.613 49.632 1.00 30.80 H new ATOM 0 HG3 PRO B 184 66.272 22.260 50.265 1.00 30.80 H new ATOM 0 HD2 PRO B 184 66.281 24.770 51.499 1.00 27.72 H new ATOM 0 HD3 PRO B 184 65.249 23.620 51.714 1.00 27.72 H new ATOM 3161 N ALA B 185 69.584 24.469 53.029 1.00 23.63 N ANISOU 3161 N ALA B 185 4488 2677 1813 489 91 -615 N ATOM 3162 CA ALA B 185 70.789 25.047 53.619 1.00 22.23 C ANISOU 3162 CA ALA B 185 4281 2565 1601 564 100 -490 C ATOM 3163 C ALA B 185 70.905 24.661 55.096 1.00 22.19 C ANISOU 3163 C ALA B 185 4130 2606 1695 543 203 -393 C ATOM 3164 O ALA B 185 72.013 24.391 55.595 1.00 21.33 O ANISOU 3164 O ALA B 185 4066 2306 1734 410 261 -397 O ATOM 3165 CB ALA B 185 70.834 26.556 53.445 1.00 20.76 C ANISOU 3165 CB ALA B 185 3995 2481 1410 588 -2 -454 C ATOM 0 H ALA B 185 68.976 25.035 52.806 1.00 23.63 H new ATOM 0 HA ALA B 185 71.552 24.681 53.145 1.00 22.23 H new ATOM 0 HB1 ALA B 185 71.645 26.904 53.847 1.00 20.76 H new ATOM 0 HB2 ALA B 185 70.823 26.773 52.500 1.00 20.76 H new ATOM 0 HB3 ALA B 185 70.062 26.955 53.877 1.00 20.76 H new ATOM 3166 N VAL B 186 69.772 24.613 55.791 1.00 21.49 N ANISOU 3166 N VAL B 186 3926 2494 1746 336 162 -323 N ATOM 3167 CA VAL B 186 69.810 24.189 57.207 1.00 20.57 C ANISOU 3167 CA VAL B 186 3801 2180 1835 284 143 -356 C ATOM 3168 C VAL B 186 70.233 22.740 57.264 1.00 20.71 C ANISOU 3168 C VAL B 186 3866 2118 1886 465 231 -389 C ATOM 3169 O VAL B 186 71.081 22.367 58.087 1.00 20.33 O ANISOU 3169 O VAL B 186 3792 2053 1880 591 345 -294 O ATOM 3170 CB VAL B 186 68.471 24.349 57.918 1.00 19.16 C ANISOU 3170 CB VAL B 186 3495 1926 1858 139 -55 -288 C ATOM 3171 CG1 VAL B 186 68.574 23.877 59.356 1.00 18.60 C ANISOU 3171 CG1 VAL B 186 3305 1884 1879 169 -164 -321 C ATOM 3172 CG2 VAL B 186 68.019 25.809 57.896 1.00 18.62 C ANISOU 3172 CG2 VAL B 186 3223 1985 1865 218 -160 -74 C ATOM 0 H VAL B 186 68.994 24.812 55.484 1.00 21.49 H new ATOM 0 HA VAL B 186 70.442 24.764 57.666 1.00 20.57 H new ATOM 0 HB VAL B 186 67.817 23.807 57.449 1.00 19.16 H new ATOM 0 HG11 VAL B 186 67.716 23.985 59.794 1.00 18.60 H new ATOM 0 HG12 VAL B 186 68.829 22.941 59.372 1.00 18.60 H new ATOM 0 HG13 VAL B 186 69.243 24.402 59.822 1.00 18.60 H new ATOM 0 HG21 VAL B 186 67.167 25.891 58.352 1.00 18.62 H new ATOM 0 HG22 VAL B 186 68.680 26.359 58.345 1.00 18.62 H new ATOM 0 HG23 VAL B 186 67.923 26.104 56.977 1.00 18.62 H new ATOM 3173 N LYS B 187 69.653 21.926 56.382 1.00 21.41 N ANISOU 3173 N LYS B 187 4100 2017 2016 461 125 -471 N ATOM 3174 CA LYS B 187 69.968 20.503 56.335 1.00 24.55 C ANISOU 3174 CA LYS B 187 4817 2165 2344 382 153 -498 C ATOM 3175 C LYS B 187 71.446 20.243 56.122 1.00 24.96 C ANISOU 3175 C LYS B 187 4850 2262 2370 451 278 -354 C ATOM 3176 O LYS B 187 72.042 19.434 56.824 1.00 25.47 O ANISOU 3176 O LYS B 187 4860 2365 2452 450 291 -316 O ATOM 3177 CB LYS B 187 69.145 19.792 55.263 1.00 28.68 C ANISOU 3177 CB LYS B 187 5461 2556 2879 394 110 -747 C ATOM 3178 CG LYS B 187 69.350 18.285 55.236 1.00 33.87 C ANISOU 3178 CG LYS B 187 6279 2902 3688 327 83 -841 C ATOM 3179 CD LYS B 187 68.258 17.592 54.440 1.00 39.93 C ANISOU 3179 CD LYS B 187 7038 3633 4501 194 8 -886 C ATOM 3180 CE LYS B 187 68.382 16.071 54.483 1.00 44.90 C ANISOU 3180 CE LYS B 187 7935 4088 5037 724 236 -732 C ATOM 3181 NZ LYS B 187 69.614 15.601 53.816 1.00 49.60 N ANISOU 3181 NZ LYS B 187 8539 5055 5250 732 179 -977 N ATOM 0 H LYS B 187 69.073 22.182 55.801 1.00 21.41 H new ATOM 0 HA LYS B 187 69.732 20.140 57.203 1.00 24.55 H new ATOM 0 HB2 LYS B 187 68.205 19.980 55.410 1.00 28.68 H new ATOM 0 HB3 LYS B 187 69.375 20.158 54.394 1.00 28.68 H new ATOM 0 HG2 LYS B 187 70.215 18.081 54.847 1.00 33.87 H new ATOM 0 HG3 LYS B 187 69.359 17.942 56.143 1.00 33.87 H new ATOM 0 HD2 LYS B 187 67.392 17.853 54.789 1.00 39.93 H new ATOM 0 HD3 LYS B 187 68.294 17.891 53.518 1.00 39.93 H new ATOM 0 HE2 LYS B 187 68.380 15.772 55.406 1.00 44.90 H new ATOM 0 HE3 LYS B 187 67.609 15.671 54.054 1.00 44.90 H new ATOM 0 HZ1 LYS B 187 69.633 14.711 53.821 1.00 49.60 H new ATOM 0 HZ2 LYS B 187 69.627 15.893 52.975 1.00 49.60 H new ATOM 0 HZ3 LYS B 187 70.325 15.915 54.250 1.00 49.60 H new ATOM 3182 N ASN B 188 72.042 20.929 55.157 1.00 26.83 N ANISOU 3182 N ASN B 188 5115 2731 2348 698 327 -422 N ATOM 3183 CA ASN B 188 73.479 20.769 54.898 1.00 27.65 C ANISOU 3183 CA ASN B 188 5110 2859 2536 1002 410 -564 C ATOM 3184 C ASN B 188 74.352 21.236 56.081 1.00 24.66 C ANISOU 3184 C ASN B 188 4627 2513 2228 1112 513 -484 C ATOM 3185 O ASN B 188 75.328 20.571 56.446 1.00 24.89 O ANISOU 3185 O ASN B 188 4608 2617 2232 1337 597 -459 O ATOM 3186 CB ASN B 188 73.867 21.548 53.654 1.00 33.23 C ANISOU 3186 CB ASN B 188 6002 2853 3772 648 466 -584 C ATOM 3187 CG ASN B 188 75.345 21.469 53.359 1.00 47.09 C ANISOU 3187 CG ASN B 188 7275 4897 5720 977 717 -380 C ATOM 3188 OD1 ASN B 188 76.074 22.456 53.459 1.00 53.56 O ANISOU 3188 OD1 ASN B 188 8877 5437 6038 485 311 287 O ATOM 3189 ND2 ASN B 188 75.801 20.282 53.016 1.00 56.98 N ANISOU 3189 ND2 ASN B 188 8978 5706 6966 999 1343 -887 N ATOM 0 H ASN B 188 71.642 21.489 54.641 1.00 26.83 H new ATOM 0 HA ASN B 188 73.640 19.821 54.771 1.00 27.65 H new ATOM 0 HB2 ASN B 188 73.370 21.206 52.894 1.00 33.23 H new ATOM 0 HB3 ASN B 188 73.612 22.477 53.765 1.00 33.23 H new ATOM 0 HD21 ASN B 188 76.638 20.174 52.852 1.00 56.98 H new ATOM 0 HD22 ASN B 188 75.262 19.615 52.956 1.00 56.98 H new ATOM 3190 N TRP B 189 73.978 22.352 56.685 1.00 22.17 N ANISOU 3190 N TRP B 189 4039 2267 2119 971 489 -314 N ATOM 3191 CA TRP B 189 74.671 22.900 57.858 1.00 21.29 C ANISOU 3191 CA TRP B 189 3809 2191 2091 928 481 -214 C ATOM 3192 C TRP B 189 74.553 21.937 59.062 1.00 22.53 C ANISOU 3192 C TRP B 189 3950 2336 2274 934 505 -164 C ATOM 3193 O TRP B 189 75.529 21.687 59.794 1.00 22.71 O ANISOU 3193 O TRP B 189 4015 2159 2454 1099 464 -37 O ATOM 3194 CB TRP B 189 74.087 24.275 58.149 1.00 19.37 C ANISOU 3194 CB TRP B 189 3354 2017 1990 806 455 -123 C ATOM 3195 CG TRP B 189 74.370 24.977 59.459 1.00 18.25 C ANISOU 3195 CG TRP B 189 3093 1858 1985 803 424 -96 C ATOM 3196 CD1 TRP B 189 75.334 25.912 59.701 1.00 19.60 C ANISOU 3196 CD1 TRP B 189 3309 2188 1951 845 346 -79 C ATOM 3197 CD2 TRP B 189 73.613 24.870 60.652 1.00 17.80 C ANISOU 3197 CD2 TRP B 189 2995 1776 1993 896 340 -56 C ATOM 3198 NE1 TRP B 189 75.222 26.400 60.987 1.00 18.29 N ANISOU 3198 NE1 TRP B 189 2782 2185 1981 857 250 81 N ATOM 3199 CE2 TRP B 189 74.175 25.767 61.595 1.00 17.81 C ANISOU 3199 CE2 TRP B 189 2774 1939 2054 751 277 17 C ATOM 3200 CE3 TRP B 189 72.519 24.091 61.034 1.00 18.63 C ANISOU 3200 CE3 TRP B 189 3078 1968 2031 638 269 -58 C ATOM 3201 CZ2 TRP B 189 73.681 25.896 62.878 1.00 18.79 C ANISOU 3201 CZ2 TRP B 189 2963 2049 2129 537 334 -111 C ATOM 3202 CZ3 TRP B 189 72.017 24.238 62.314 1.00 19.20 C ANISOU 3202 CZ3 TRP B 189 3106 2018 2172 510 274 44 C ATOM 3203 CH2 TRP B 189 72.605 25.119 63.223 1.00 19.10 C ANISOU 3203 CH2 TRP B 189 3019 2084 2154 525 354 -88 C ATOM 0 H TRP B 189 73.307 22.824 56.428 1.00 22.17 H new ATOM 0 HA TRP B 189 75.621 22.994 57.684 1.00 21.29 H new ATOM 0 HB2 TRP B 189 74.383 24.866 57.439 1.00 19.37 H new ATOM 0 HB3 TRP B 189 73.123 24.198 58.070 1.00 19.37 H new ATOM 0 HD1 TRP B 189 75.977 26.183 59.085 1.00 19.60 H new ATOM 0 HE1 TRP B 189 75.725 26.999 61.344 1.00 18.29 H new ATOM 0 HE3 TRP B 189 72.136 23.486 60.440 1.00 18.63 H new ATOM 0 HZ2 TRP B 189 74.064 26.487 63.485 1.00 18.79 H new ATOM 0 HZ3 TRP B 189 71.275 23.741 62.574 1.00 19.20 H new ATOM 0 HH2 TRP B 189 72.259 25.181 64.084 1.00 19.10 H new ATOM 3204 N HIS B 190 73.375 21.358 59.222 1.00 20.89 N ANISOU 3204 N HIS B 190 3721 1898 2318 1043 517 -163 N ATOM 3205 CA HIS B 190 73.135 20.433 60.316 1.00 22.03 C ANISOU 3205 CA HIS B 190 4072 1848 2451 788 407 -234 C ATOM 3206 C HIS B 190 74.010 19.197 60.151 1.00 24.62 C ANISOU 3206 C HIS B 190 4507 2067 2779 1051 442 -295 C ATOM 3207 O HIS B 190 74.626 18.735 61.121 1.00 24.79 O ANISOU 3207 O HIS B 190 4465 2194 2761 1113 364 -215 O ATOM 3208 CB HIS B 190 71.665 20.020 60.373 1.00 22.33 C ANISOU 3208 CB HIS B 190 4204 1828 2454 506 237 -243 C ATOM 3209 CG HIS B 190 71.404 18.882 61.317 1.00 23.80 C ANISOU 3209 CG HIS B 190 4643 1824 2575 519 258 -313 C ATOM 3210 ND1 HIS B 190 71.237 17.588 60.889 1.00 26.07 N ANISOU 3210 ND1 HIS B 190 5156 2052 2696 163 253 -369 N ATOM 3211 CD2 HIS B 190 71.327 18.843 62.667 1.00 23.71 C ANISOU 3211 CD2 HIS B 190 4611 1745 2653 445 314 -308 C ATOM 3212 CE1 HIS B 190 71.056 16.796 61.933 1.00 27.00 C ANISOU 3212 CE1 HIS B 190 5432 2067 2759 102 306 -329 C ATOM 3213 NE2 HIS B 190 71.092 17.537 63.023 1.00 25.23 N ANISOU 3213 NE2 HIS B 190 4937 1901 2750 255 240 -287 N ATOM 0 H HIS B 190 72.699 21.487 58.707 1.00 20.89 H new ATOM 0 HA HIS B 190 73.359 20.881 61.146 1.00 22.03 H new ATOM 0 HB2 HIS B 190 71.131 20.784 60.642 1.00 22.33 H new ATOM 0 HB3 HIS B 190 71.372 19.768 59.483 1.00 22.33 H new ATOM 0 HD2 HIS B 190 71.416 19.565 63.246 1.00 23.71 H new ATOM 0 HE1 HIS B 190 70.926 15.876 61.903 1.00 27.00 H new ATOM 0 HE2 HIS B 190 70.986 17.249 63.826 1.00 25.23 H new ATOM 3214 N GLU B 191 74.041 18.660 58.933 1.00 27.23 N ANISOU 3214 N GLU B 191 4903 2289 3153 1067 533 -377 N ATOM 3215 CA GLU B 191 74.868 17.505 58.621 1.00 29.86 C ANISOU 3215 CA GLU B 191 5319 2279 3747 1169 630 -522 C ATOM 3216 C GLU B 191 76.355 17.828 58.792 1.00 26.54 C ANISOU 3216 C GLU B 191 4811 2226 3048 1291 614 -354 C ATOM 3217 O GLU B 191 77.101 17.018 59.342 1.00 26.58 O ANISOU 3217 O GLU B 191 4931 2284 2884 1251 655 -328 O ATOM 3218 CB GLU B 191 74.584 17.018 57.195 1.00 40.05 C ANISOU 3218 CB GLU B 191 6757 3143 5316 1388 664 -973 C ATOM 3219 CG GLU B 191 75.423 15.825 56.778 1.00 55.84 C ANISOU 3219 CG GLU B 191 8847 5492 6877 1703 293 -1426 C ATOM 3220 CD GLU B 191 75.260 15.481 55.309 1.00 73.48 C ANISOU 3220 CD GLU B 191 11865 7333 8721 1274 -594 -1702 C ATOM 3221 OE1 GLU B 191 74.164 15.722 54.759 1.00 81.32 O ANISOU 3221 OE1 GLU B 191 13948 8313 8638 522 -1422 -2163 O ATOM 3222 OE2 GLU B 191 76.228 14.971 54.703 1.00 76.87 O ANISOU 3222 OE2 GLU B 191 12074 7386 9748 1774 -584 -1354 O ATOM 0 H GLU B 191 73.583 18.957 58.268 1.00 27.23 H new ATOM 0 HA GLU B 191 74.644 16.796 59.244 1.00 29.86 H new ATOM 0 HB2 GLU B 191 73.645 16.784 57.123 1.00 40.05 H new ATOM 0 HB3 GLU B 191 74.743 17.747 56.575 1.00 40.05 H new ATOM 0 HG2 GLU B 191 76.357 16.011 56.961 1.00 55.84 H new ATOM 0 HG3 GLU B 191 75.176 15.056 57.316 1.00 55.84 H new ATOM 3223 N ARG B 192 76.775 19.005 58.332 1.00 25.76 N ANISOU 3223 N ARG B 192 4519 2423 2845 1530 613 -342 N ATOM 3224 CA ARG B 192 78.157 19.448 58.493 1.00 27.80 C ANISOU 3224 CA ARG B 192 4740 2873 2950 1485 729 -431 C ATOM 3225 C ARG B 192 78.576 19.466 59.964 1.00 26.97 C ANISOU 3225 C ARG B 192 4555 2833 2860 1558 793 -369 C ATOM 3226 O ARG B 192 79.633 18.960 60.325 1.00 28.15 O ANISOU 3226 O ARG B 192 4552 3087 3055 1796 888 -358 O ATOM 3227 CB ARG B 192 78.374 20.845 57.930 1.00 30.11 C ANISOU 3227 CB ARG B 192 4782 3108 3549 1805 866 -445 C ATOM 3228 CG ARG B 192 79.194 20.908 56.659 1.00 36.65 C ANISOU 3228 CG ARG B 192 5342 4211 4372 2099 1315 -255 C ATOM 3229 CD ARG B 192 79.488 22.357 56.266 1.00 43.93 C ANISOU 3229 CD ARG B 192 6877 4611 5205 1893 1311 -34 C ATOM 3230 NE ARG B 192 78.280 23.013 55.752 1.00 47.62 N ANISOU 3230 NE ARG B 192 7358 5307 5427 1466 784 -206 N ATOM 3231 CZ ARG B 192 77.924 24.283 55.971 1.00 46.04 C ANISOU 3231 CZ ARG B 192 6824 5621 5048 1639 443 239 C ATOM 3232 NH1 ARG B 192 78.667 25.111 56.707 1.00 36.86 N ANISOU 3232 NH1 ARG B 192 5601 3809 4595 1476 654 64 N ATOM 3233 NH2 ARG B 192 76.790 24.726 55.447 1.00 56.41 N ANISOU 3233 NH2 ARG B 192 7366 8798 5269 2561 137 1095 N ATOM 0 H ARG B 192 76.270 19.566 57.920 1.00 25.76 H new ATOM 0 HA ARG B 192 78.697 18.809 58.002 1.00 27.80 H new ATOM 0 HB2 ARG B 192 77.508 21.247 57.759 1.00 30.11 H new ATOM 0 HB3 ARG B 192 78.810 21.387 58.606 1.00 30.11 H new ATOM 0 HG2 ARG B 192 80.028 20.428 56.784 1.00 36.65 H new ATOM 0 HG3 ARG B 192 78.717 20.465 55.940 1.00 36.65 H new ATOM 0 HD2 ARG B 192 79.823 22.844 57.035 1.00 43.93 H new ATOM 0 HD3 ARG B 192 80.185 22.379 55.591 1.00 43.93 H new ATOM 0 HE ARG B 192 77.753 22.537 55.266 1.00 47.62 H new ATOM 0 HH11 ARG B 192 79.401 24.833 57.058 1.00 36.86 H new ATOM 0 HH12 ARG B 192 78.412 25.923 56.830 1.00 36.86 H new ATOM 0 HH21 ARG B 192 76.299 24.199 54.977 1.00 56.41 H new ATOM 0 HH22 ARG B 192 76.545 25.540 55.577 1.00 56.41 H new ATOM 3234 N ILE B 193 77.768 20.092 60.807 1.00 24.23 N ANISOU 3234 N ILE B 193 4093 2413 2701 1220 663 -233 N ATOM 3235 CA ILE B 193 78.119 20.179 62.244 1.00 23.00 C ANISOU 3235 CA ILE B 193 3810 2269 2659 1317 639 -161 C ATOM 3236 C ILE B 193 78.100 18.804 62.907 1.00 25.73 C ANISOU 3236 C ILE B 193 4202 2544 3030 1353 684 -68 C ATOM 3237 O ILE B 193 78.971 18.486 63.728 1.00 25.28 O ANISOU 3237 O ILE B 193 3985 2623 2998 1716 752 241 O ATOM 3238 CB ILE B 193 77.211 21.196 62.984 1.00 21.30 C ANISOU 3238 CB ILE B 193 3637 1993 2462 1231 582 -93 C ATOM 3239 CG1 ILE B 193 77.549 22.596 62.510 1.00 20.63 C ANISOU 3239 CG1 ILE B 193 3333 2088 2418 1053 662 -33 C ATOM 3240 CG2 ILE B 193 77.407 21.104 64.501 1.00 20.71 C ANISOU 3240 CG2 ILE B 193 3427 2025 2415 1253 518 -64 C ATOM 3241 CD1 ILE B 193 76.525 23.648 62.894 1.00 20.43 C ANISOU 3241 CD1 ILE B 193 3298 2038 2426 1170 773 -61 C ATOM 0 H ILE B 193 77.027 20.469 60.588 1.00 24.23 H new ATOM 0 HA ILE B 193 79.029 20.510 62.308 1.00 23.00 H new ATOM 0 HB ILE B 193 76.284 20.990 62.786 1.00 21.30 H new ATOM 0 HG12 ILE B 193 78.411 22.850 62.874 1.00 20.63 H new ATOM 0 HG13 ILE B 193 77.641 22.586 61.544 1.00 20.63 H new ATOM 0 HG21 ILE B 193 76.830 21.748 64.942 1.00 20.71 H new ATOM 0 HG22 ILE B 193 77.183 20.210 64.803 1.00 20.71 H new ATOM 0 HG23 ILE B 193 78.332 21.296 64.720 1.00 20.71 H new ATOM 0 HD11 ILE B 193 76.808 24.513 62.558 1.00 20.43 H new ATOM 0 HD12 ILE B 193 75.665 23.418 62.509 1.00 20.43 H new ATOM 0 HD13 ILE B 193 76.447 23.686 63.860 1.00 20.43 H new ATOM 3242 N ARG B 194 77.133 17.967 62.544 1.00 29.45 N ANISOU 3242 N ARG B 194 4960 2780 3449 1259 590 -201 N ATOM 3243 CA AARG B 194 77.048 16.627 63.111 0.48 32.17 C ANISOU 3243 CA AARG B 194 5482 2880 3863 1330 630 -236 C ATOM 3244 CA BARG B 194 77.045 16.623 63.105 0.52 32.21 C ANISOU 3244 CA BARG B 194 5488 2882 3867 1350 636 -238 C ATOM 3245 C ARG B 194 78.329 15.841 62.812 1.00 32.67 C ANISOU 3245 C ARG B 194 5533 2967 3913 1462 603 -310 C ATOM 3246 O ARG B 194 78.802 15.054 63.644 1.00 33.86 O ANISOU 3246 O ARG B 194 5908 2615 4342 1809 465 -140 O ATOM 3247 CB AARG B 194 75.826 15.869 62.578 0.48 35.12 C ANISOU 3247 CB AARG B 194 5860 3142 4341 1101 650 -236 C ATOM 3248 CB BARG B 194 75.837 15.873 62.545 0.52 35.43 C ANISOU 3248 CB BARG B 194 5897 3147 4418 1233 736 -267 C ATOM 3249 CG AARG B 194 75.678 14.466 63.169 0.48 39.62 C ANISOU 3249 CG AARG B 194 6936 3352 4766 54 536 -144 C ATOM 3250 CG BARG B 194 75.706 14.447 63.066 0.52 40.60 C ANISOU 3250 CG BARG B 194 7068 3215 5142 819 830 -294 C ATOM 3251 CD AARG B 194 75.471 14.503 64.684 0.48 43.59 C ANISOU 3251 CD AARG B 194 7372 4222 4968 -386 245 -186 C ATOM 3252 CD BARG B 194 74.507 13.755 62.453 0.52 42.81 C ANISOU 3252 CD BARG B 194 7168 3193 5906 1226 682 -520 C ATOM 3253 NE AARG B 194 75.639 13.186 65.297 0.48 45.76 N ANISOU 3253 NE AARG B 194 8342 4264 4781 818 -14 -85 N ATOM 3254 NE BARG B 194 74.669 13.584 61.013 0.52 44.53 N ANISOU 3254 NE BARG B 194 7664 2714 6543 1539 325 -601 N ATOM 3255 CZ AARG B 194 76.799 12.717 65.739 0.48 46.48 C ANISOU 3255 CZ AARG B 194 8503 4726 4431 1180 236 44 C ATOM 3256 CZ BARG B 194 73.679 13.309 60.177 0.52 48.41 C ANISOU 3256 CZ BARG B 194 8016 3419 6957 1410 -293 -418 C ATOM 3257 NH1AARG B 194 77.893 13.451 65.646 0.48 41.55 N ANISOU 3257 NH1AARG B 194 8326 3528 3932 1670 -425 433 N ATOM 3258 NH1BARG B 194 72.440 13.169 60.626 0.52 49.69 N ANISOU 3258 NH1BARG B 194 8231 3458 7190 1057 -808 157 N ATOM 3259 NH2AARG B 194 76.864 11.512 66.278 0.48 47.99 N ANISOU 3259 NH2AARG B 194 8402 5277 4556 919 1163 -212 N ATOM 3260 NH2BARG B 194 73.930 13.173 58.888 0.52 53.48 N ANISOU 3260 NH2BARG B 194 7169 6123 7027 1832 -516 -375 N ATOM 0 H AARG B 194 76.518 18.155 61.973 0.48 29.45 H new ATOM 0 H BARG B 194 76.518 18.158 61.974 0.52 29.45 H new ATOM 0 HA AARG B 194 76.948 16.718 64.072 0.48 32.21 H new ATOM 0 HA BARG B 194 76.935 16.705 64.065 0.52 32.21 H new ATOM 0 HB2AARG B 194 75.026 16.381 62.773 0.48 35.43 H new ATOM 0 HB2BARG B 194 75.030 16.365 62.765 0.52 35.43 H new ATOM 0 HB3AARG B 194 75.891 15.801 61.613 0.48 35.43 H new ATOM 0 HB3BARG B 194 75.900 15.851 61.577 0.52 35.43 H new ATOM 0 HG2AARG B 194 74.926 14.017 62.751 0.48 40.60 H new ATOM 0 HG2BARG B 194 76.512 13.948 62.860 0.52 40.60 H new ATOM 0 HG3AARG B 194 76.469 13.944 62.964 0.48 40.60 H new ATOM 0 HG3BARG B 194 75.618 14.458 64.032 0.52 40.60 H new ATOM 0 HD2AARG B 194 76.101 15.125 65.080 0.48 42.81 H new ATOM 0 HD2BARG B 194 74.383 12.889 62.871 0.52 42.81 H new ATOM 0 HD3AARG B 194 74.582 14.838 64.879 0.48 42.81 H new ATOM 0 HD3BARG B 194 73.707 14.273 62.631 0.52 42.81 H new ATOM 0 HE AARG B 194 74.944 12.685 65.376 0.48 44.53 H new ATOM 0 HE BARG B 194 75.460 13.667 60.685 0.52 44.53 H new ATOM 0 HH11AARG B 194 77.855 14.236 65.298 0.48 49.69 H new ATOM 0 HH11BARG B 194 72.274 13.257 61.465 0.52 49.69 H new ATOM 0 HH12AARG B 194 78.643 13.143 65.934 0.48 49.69 H new ATOM 0 HH12BARG B 194 71.802 12.990 60.078 0.52 49.69 H new ATOM 0 HH21AARG B 194 76.154 11.031 66.343 0.48 53.48 H new ATOM 0 HH21BARG B 194 74.733 13.263 58.595 0.52 53.48 H new ATOM 0 HH22AARG B 194 77.616 11.209 66.564 0.48 53.48 H new ATOM 0 HH22BARG B 194 73.290 12.994 58.342 0.52 53.48 H new ATOM 3261 N SER B 195 78.899 16.084 61.639 1.00 32.49 N ANISOU 3261 N SER B 195 4889 3519 3938 1447 749 -592 N ATOM 3262 CA SER B 195 80.111 15.388 61.215 1.00 31.87 C ANISOU 3262 CA SER B 195 4626 3656 3826 1788 747 -476 C ATOM 3263 C SER B 195 81.399 15.889 61.869 1.00 29.33 C ANISOU 3263 C SER B 195 4226 3282 3635 1673 860 -125 C ATOM 3264 O SER B 195 82.456 15.268 61.725 1.00 29.70 O ANISOU 3264 O SER B 195 4375 3216 3695 2004 842 -99 O ATOM 3265 CB SER B 195 80.248 15.470 59.694 1.00 34.86 C ANISOU 3265 CB SER B 195 5217 4089 3938 2085 633 -702 C ATOM 3266 OG SER B 195 79.141 14.816 59.094 1.00 37.47 O ANISOU 3266 OG SER B 195 5723 4532 3983 1248 682 -894 O ATOM 0 H SER B 195 78.598 16.653 61.068 1.00 32.49 H new ATOM 0 HA SER B 195 80.002 14.471 61.511 1.00 31.87 H new ATOM 0 HB2 SER B 195 80.283 16.397 59.410 1.00 34.86 H new ATOM 0 HB3 SER B 195 81.077 15.054 59.409 1.00 34.86 H new ATOM 0 HG SER B 195 78.473 15.325 59.108 1.00 37.47 H new ATOM 3267 N ARG B 196 81.333 17.005 62.576 1.00 27.46 N ANISOU 3267 N ARG B 196 3862 3149 3421 1363 881 51 N ATOM 3268 CA ARG B 196 82.523 17.519 63.250 1.00 26.34 C ANISOU 3268 CA ARG B 196 3543 3208 3256 1720 892 199 C ATOM 3269 C ARG B 196 82.837 16.606 64.414 1.00 26.82 C ANISOU 3269 C ARG B 196 3483 3377 3329 1785 855 298 C ATOM 3270 O ARG B 196 81.940 16.184 65.129 1.00 25.90 O ANISOU 3270 O ARG B 196 3502 2961 3376 1724 899 260 O ATOM 3271 CB ARG B 196 82.313 18.945 63.750 1.00 25.41 C ANISOU 3271 CB ARG B 196 3396 3142 3116 1546 1015 154 C ATOM 3272 CG ARG B 196 82.071 19.971 62.646 1.00 25.27 C ANISOU 3272 CG ARG B 196 3444 3246 2913 1762 983 174 C ATOM 3273 CD ARG B 196 81.704 21.322 63.251 1.00 23.19 C ANISOU 3273 CD ARG B 196 2930 3008 2874 1476 939 224 C ATOM 3274 NE ARG B 196 82.846 21.935 63.910 1.00 23.80 N ANISOU 3274 NE ARG B 196 2947 3252 2844 1239 895 193 N ATOM 3275 CZ ARG B 196 83.698 22.758 63.316 1.00 23.64 C ANISOU 3275 CZ ARG B 196 2565 3443 2974 1324 881 306 C ATOM 3276 NH1 ARG B 196 83.568 23.060 62.031 1.00 24.95 N ANISOU 3276 NH1 ARG B 196 2927 3514 3039 1274 1005 372 N ATOM 3277 NH2 ARG B 196 84.684 23.291 64.004 1.00 23.66 N ANISOU 3277 NH2 ARG B 196 2376 3575 3037 1357 726 425 N ATOM 0 H ARG B 196 80.622 17.477 62.680 1.00 27.46 H new ATOM 0 HA ARG B 196 83.260 17.540 62.620 1.00 26.34 H new ATOM 0 HB2 ARG B 196 81.557 18.955 64.357 1.00 25.41 H new ATOM 0 HB3 ARG B 196 83.092 19.215 64.262 1.00 25.41 H new ATOM 0 HG2 ARG B 196 82.867 20.060 62.098 1.00 25.27 H new ATOM 0 HG3 ARG B 196 81.358 19.666 62.063 1.00 25.27 H new ATOM 0 HD2 ARG B 196 81.375 21.912 62.555 1.00 23.19 H new ATOM 0 HD3 ARG B 196 80.983 21.207 63.890 1.00 23.19 H new ATOM 0 HE ARG B 196 82.977 21.751 64.740 1.00 23.80 H new ATOM 0 HH11 ARG B 196 82.925 22.720 61.572 1.00 24.95 H new ATOM 0 HH12 ARG B 196 84.127 23.595 61.656 1.00 24.95 H new ATOM 0 HH21 ARG B 196 84.775 23.105 64.839 1.00 23.66 H new ATOM 0 HH22 ARG B 196 85.237 23.825 63.619 1.00 23.66 H new ATOM 3278 N PRO B 197 84.120 16.277 64.596 1.00 27.16 N ANISOU 3278 N PRO B 197 3473 3350 3495 1813 860 379 N ATOM 3279 CA PRO B 197 84.492 15.370 65.677 1.00 28.29 C ANISOU 3279 CA PRO B 197 3682 3526 3540 1889 828 346 C ATOM 3280 C PRO B 197 84.045 15.815 67.078 1.00 26.96 C ANISOU 3280 C PRO B 197 3695 3135 3412 1892 772 517 C ATOM 3281 O PRO B 197 83.636 14.979 67.887 1.00 26.84 O ANISOU 3281 O PRO B 197 3596 3173 3429 1920 609 690 O ATOM 3282 CB PRO B 197 86.018 15.317 65.578 1.00 28.70 C ANISOU 3282 CB PRO B 197 3578 3666 3659 2038 750 263 C ATOM 3283 CG PRO B 197 86.299 15.604 64.131 1.00 28.23 C ANISOU 3283 CG PRO B 197 3472 3588 3667 2008 721 348 C ATOM 3284 CD PRO B 197 85.248 16.589 63.703 1.00 27.84 C ANISOU 3284 CD PRO B 197 3440 3488 3650 1811 822 435 C ATOM 0 HA PRO B 197 84.050 14.513 65.573 1.00 28.29 H new ATOM 0 HB2 PRO B 197 86.434 15.974 66.158 1.00 28.70 H new ATOM 0 HB3 PRO B 197 86.361 14.449 65.841 1.00 28.70 H new ATOM 0 HG2 PRO B 197 87.189 15.971 64.015 1.00 28.23 H new ATOM 0 HG3 PRO B 197 86.255 14.794 63.600 1.00 28.23 H new ATOM 0 HD2 PRO B 197 85.549 17.505 63.811 1.00 27.84 H new ATOM 0 HD3 PRO B 197 85.009 16.477 62.770 1.00 27.84 H new ATOM 3285 N ALA B 198 84.102 17.111 67.362 1.00 26.21 N ANISOU 3285 N ALA B 198 3545 3145 3267 1770 823 505 N ATOM 3286 CA ALA B 198 83.720 17.605 68.681 1.00 25.37 C ANISOU 3286 CA ALA B 198 3208 3334 3099 1569 798 566 C ATOM 3287 C ALA B 198 82.245 17.331 68.977 1.00 23.62 C ANISOU 3287 C ALA B 198 3027 2986 2960 1631 691 480 C ATOM 3288 O ALA B 198 81.865 17.117 70.124 1.00 22.98 O ANISOU 3288 O ALA B 198 2900 2858 2974 1614 764 556 O ATOM 3289 CB ALA B 198 83.996 19.095 68.806 1.00 25.56 C ANISOU 3289 CB ALA B 198 3167 3517 3029 1311 983 660 C ATOM 0 H ALA B 198 84.357 17.718 66.809 1.00 26.21 H new ATOM 0 HA ALA B 198 84.259 17.127 69.330 1.00 25.37 H new ATOM 0 HB1 ALA B 198 83.735 19.400 69.689 1.00 25.56 H new ATOM 0 HB2 ALA B 198 84.943 19.261 68.674 1.00 25.56 H new ATOM 0 HB3 ALA B 198 83.487 19.576 68.135 1.00 25.56 H new ATOM 3290 N THR B 199 81.425 17.361 67.936 1.00 23.92 N ANISOU 3290 N THR B 199 3043 3177 2868 1431 712 261 N ATOM 3291 CA THR B 199 79.989 17.173 68.098 1.00 23.42 C ANISOU 3291 CA THR B 199 3161 2798 2940 1121 775 118 C ATOM 3292 C THR B 199 79.739 15.766 68.595 1.00 25.08 C ANISOU 3292 C THR B 199 3670 2748 3111 1291 757 249 C ATOM 3293 O THR B 199 78.984 15.544 69.547 1.00 25.73 O ANISOU 3293 O THR B 199 3688 2939 3149 1253 796 325 O ATOM 3294 CB THR B 199 79.222 17.434 66.797 1.00 23.53 C ANISOU 3294 CB THR B 199 3170 2784 2985 1132 682 -34 C ATOM 3295 OG1 THR B 199 79.557 18.728 66.294 1.00 24.81 O ANISOU 3295 OG1 THR B 199 3358 3079 2988 1025 597 203 O ATOM 3296 CG2 THR B 199 77.739 17.371 67.040 1.00 24.71 C ANISOU 3296 CG2 THR B 199 3101 3317 2971 1387 581 -341 C ATOM 0 H THR B 199 81.680 17.489 67.125 1.00 23.92 H new ATOM 0 HA THR B 199 79.662 17.818 68.744 1.00 23.42 H new ATOM 0 HB THR B 199 79.468 16.753 66.151 1.00 23.53 H new ATOM 0 HG1 THR B 199 79.405 18.756 65.468 1.00 24.81 H new ATOM 0 HG21 THR B 199 77.267 17.538 66.209 1.00 24.71 H new ATOM 0 HG22 THR B 199 77.503 16.492 67.374 1.00 24.71 H new ATOM 0 HG23 THR B 199 77.489 18.043 67.694 1.00 24.71 H new ATOM 3297 N GLY B 200 80.395 14.810 67.957 1.00 26.19 N ANISOU 3297 N GLY B 200 3842 2857 3253 1456 650 352 N ATOM 3298 CA GLY B 200 80.297 13.425 68.373 1.00 29.11 C ANISOU 3298 CA GLY B 200 4629 3008 3423 1082 653 491 C ATOM 3299 C GLY B 200 80.803 13.203 69.796 1.00 30.78 C ANISOU 3299 C GLY B 200 4855 3192 3648 1243 731 496 C ATOM 3300 O GLY B 200 80.203 12.449 70.551 1.00 31.86 O ANISOU 3300 O GLY B 200 5310 3177 3619 1066 820 376 O ATOM 0 H GLY B 200 80.904 14.945 67.277 1.00 26.19 H new ATOM 0 HA2 GLY B 200 79.373 13.137 68.313 1.00 29.11 H new ATOM 0 HA3 GLY B 200 80.807 12.870 67.762 1.00 29.11 H new ATOM 3301 N GLN B 201 81.888 13.876 70.160 1.00 30.45 N ANISOU 3301 N GLN B 201 4377 3435 3757 1446 724 618 N ATOM 3302 CA GLN B 201 82.418 13.782 71.513 1.00 31.37 C ANISOU 3302 CA GLN B 201 4334 3593 3993 1537 630 759 C ATOM 3303 C GLN B 201 81.449 14.349 72.546 1.00 29.04 C ANISOU 3303 C GLN B 201 4145 3336 3552 1343 525 943 C ATOM 3304 O GLN B 201 81.291 13.795 73.629 1.00 28.96 O ANISOU 3304 O GLN B 201 4224 3229 3552 1368 291 1148 O ATOM 3305 CB GLN B 201 83.764 14.493 71.618 1.00 35.09 C ANISOU 3305 CB GLN B 201 4678 4062 4594 1787 579 701 C ATOM 3306 CG GLN B 201 84.901 13.721 70.993 1.00 38.97 C ANISOU 3306 CG GLN B 201 5199 4395 5212 2264 469 631 C ATOM 3307 CD GLN B 201 85.035 12.327 71.579 1.00 45.43 C ANISOU 3307 CD GLN B 201 6365 5146 5749 2588 362 542 C ATOM 3308 OE1 GLN B 201 85.371 12.163 72.755 1.00 49.31 O ANISOU 3308 OE1 GLN B 201 6937 5800 5999 2570 449 347 O ATOM 3309 NE2 GLN B 201 84.767 11.313 70.763 1.00 47.40 N ANISOU 3309 NE2 GLN B 201 6844 5295 5870 2947 201 679 N ATOM 0 H GLN B 201 82.333 14.394 69.637 1.00 30.45 H new ATOM 0 HA GLN B 201 82.540 12.839 71.705 1.00 31.37 H new ATOM 0 HB2 GLN B 201 83.698 15.361 71.190 1.00 35.09 H new ATOM 0 HB3 GLN B 201 83.966 14.652 72.553 1.00 35.09 H new ATOM 0 HG2 GLN B 201 84.758 13.656 70.036 1.00 38.97 H new ATOM 0 HG3 GLN B 201 85.730 14.207 71.124 1.00 38.97 H new ATOM 0 HE21 GLN B 201 84.536 11.466 69.949 1.00 47.40 H new ATOM 0 HE22 GLN B 201 84.825 10.504 71.049 1.00 47.40 H new ATOM 3310 N ALA B 202 80.804 15.459 72.204 1.00 27.88 N ANISOU 3310 N ALA B 202 3935 3298 3361 1102 657 820 N ATOM 3311 CA ALA B 202 79.838 16.089 73.101 1.00 28.00 C ANISOU 3311 CA ALA B 202 3831 3601 3207 922 674 620 C ATOM 3312 C ALA B 202 78.609 15.203 73.334 1.00 30.84 C ANISOU 3312 C ALA B 202 4433 3860 3425 462 734 522 C ATOM 3313 O ALA B 202 78.158 15.012 74.462 1.00 32.95 O ANISOU 3313 O ALA B 202 4713 4249 3558 409 906 307 O ATOM 3314 CB ALA B 202 79.420 17.431 72.572 1.00 26.40 C ANISOU 3314 CB ALA B 202 3527 3432 3072 818 765 479 C ATOM 0 H ALA B 202 80.911 15.866 71.454 1.00 27.88 H new ATOM 0 HA ALA B 202 80.278 16.211 73.957 1.00 28.00 H new ATOM 0 HB1 ALA B 202 78.780 17.833 73.179 1.00 26.40 H new ATOM 0 HB2 ALA B 202 80.198 18.006 72.496 1.00 26.40 H new ATOM 0 HB3 ALA B 202 79.012 17.322 71.699 1.00 26.40 H new ATOM 3315 N LEU B 203 78.080 14.637 72.267 1.00 28.96 N ANISOU 3315 N LEU B 203 4206 3212 3584 540 745 622 N ATOM 3316 CA LEU B 203 76.908 13.774 72.372 1.00 31.80 C ANISOU 3316 CA LEU B 203 4603 3400 4078 453 613 732 C ATOM 3317 C LEU B 203 77.235 12.491 73.116 1.00 38.23 C ANISOU 3317 C LEU B 203 5848 3830 4849 359 548 965 C ATOM 3318 O LEU B 203 76.402 11.966 73.847 1.00 40.13 O ANISOU 3318 O LEU B 203 6043 4300 4904 168 604 1157 O ATOM 3319 CB LEU B 203 76.376 13.437 70.988 1.00 34.01 C ANISOU 3319 CB LEU B 203 5050 3895 3978 220 546 538 C ATOM 3320 CG LEU B 203 75.846 14.611 70.172 1.00 35.26 C ANISOU 3320 CG LEU B 203 5110 4074 4214 265 529 479 C ATOM 3321 CD1 LEU B 203 75.428 14.120 68.778 1.00 38.03 C ANISOU 3321 CD1 LEU B 203 5544 4601 4305 -77 12 769 C ATOM 3322 CD2 LEU B 203 74.706 15.310 70.873 1.00 35.96 C ANISOU 3322 CD2 LEU B 203 4363 4985 4317 -65 1013 254 C ATOM 0 H LEU B 203 78.381 14.737 71.468 1.00 28.96 H new ATOM 0 HA LEU B 203 76.230 14.256 72.871 1.00 31.80 H new ATOM 0 HB2 LEU B 203 77.086 13.009 70.483 1.00 34.01 H new ATOM 0 HB3 LEU B 203 75.664 12.785 71.084 1.00 34.01 H new ATOM 0 HG LEU B 203 76.556 15.265 70.076 1.00 35.26 H new ATOM 0 HD11 LEU B 203 75.091 14.867 68.259 1.00 38.03 H new ATOM 0 HD12 LEU B 203 76.195 13.734 68.327 1.00 38.03 H new ATOM 0 HD13 LEU B 203 74.734 13.449 68.866 1.00 38.03 H new ATOM 0 HD21 LEU B 203 74.395 16.049 70.327 1.00 35.96 H new ATOM 0 HD22 LEU B 203 73.979 14.683 71.013 1.00 35.96 H new ATOM 0 HD23 LEU B 203 75.011 15.647 71.730 1.00 35.96 H new ATOM 3323 N LEU B 204 78.458 12.001 72.930 1.00 43.12 N ANISOU 3323 N LEU B 204 6492 4350 5541 628 409 917 N ATOM 3324 CA LEU B 204 78.935 10.782 73.598 1.00 49.88 C ANISOU 3324 CA LEU B 204 7618 4906 6429 944 256 1045 C ATOM 3325 C LEU B 204 79.090 11.084 75.078 1.00 50.92 C ANISOU 3325 C LEU B 204 7810 5336 6202 1415 515 1405 C ATOM 3326 O LEU B 204 78.785 10.243 75.903 1.00 50.07 O ANISOU 3326 O LEU B 204 8450 4621 5954 1125 302 1358 O ATOM 3327 CB LEU B 204 80.271 10.324 73.006 1.00 54.27 C ANISOU 3327 CB LEU B 204 8244 5006 7372 1099 108 661 C ATOM 3328 CG LEU B 204 80.656 8.870 73.264 1.00 60.97 C ANISOU 3328 CG LEU B 204 9485 5791 7889 1262 213 194 C ATOM 3329 CD1 LEU B 204 79.849 7.934 72.362 1.00 65.71 C ANISOU 3329 CD1 LEU B 204 9901 7082 7983 1604 725 -302 C ATOM 3330 CD2 LEU B 204 82.149 8.655 73.067 1.00 62.10 C ANISOU 3330 CD2 LEU B 204 9314 5712 8571 -139 -144 139 C ATOM 0 H LEU B 204 79.040 12.365 72.412 1.00 43.12 H new ATOM 0 HA LEU B 204 78.296 10.065 73.467 1.00 49.88 H new ATOM 0 HB2 LEU B 204 80.245 10.468 72.047 1.00 54.27 H new ATOM 0 HB3 LEU B 204 80.973 10.893 73.359 1.00 54.27 H new ATOM 0 HG LEU B 204 80.446 8.662 74.188 1.00 60.97 H new ATOM 0 HD11 LEU B 204 80.105 7.015 72.538 1.00 65.71 H new ATOM 0 HD12 LEU B 204 78.903 8.046 72.543 1.00 65.71 H new ATOM 0 HD13 LEU B 204 80.027 8.147 71.433 1.00 65.71 H new ATOM 0 HD21 LEU B 204 82.367 7.725 73.237 1.00 62.10 H new ATOM 0 HD22 LEU B 204 82.391 8.883 72.156 1.00 62.10 H new ATOM 0 HD23 LEU B 204 82.642 9.220 73.683 1.00 62.10 H new ATOM 3331 N LYS B 205 79.455 12.324 75.399 1.00 55.35 N ANISOU 3331 N LYS B 205 6992 6992 7046 0 0 0 N ATOM 3332 CA LYS B 205 79.317 12.956 76.739 1.00 59.37 C ANISOU 3332 CA LYS B 205 7554 7554 7450 0 0 0 C ATOM 3333 C LYS B 205 80.634 13.090 77.476 1.00 63.94 C ANISOU 3333 C LYS B 205 8171 8171 7952 0 0 0 C ATOM 3334 O LYS B 205 81.459 12.190 77.492 1.00 65.80 O ANISOU 3334 O LYS B 205 8467 8467 8067 0 0 0 O ATOM 3335 CB LYS B 205 78.322 12.225 77.670 1.00 59.59 C ANISOU 3335 CB LYS B 205 7513 7513 7616 0 0 0 C ATOM 3336 CG LYS B 205 76.857 12.481 77.379 1.00 59.87 C ANISOU 3336 CG LYS B 205 7550 7550 7649 0 0 0 C ATOM 3337 CD LYS B 205 75.960 11.513 78.148 1.00 60.44 C ANISOU 3337 CD LYS B 205 7646 7646 7673 0 0 0 C ATOM 3338 CE LYS B 205 75.695 10.235 77.354 1.00 61.16 C ANISOU 3338 CE LYS B 205 7767 7767 7705 0 0 0 C ATOM 3339 NZ LYS B 205 76.252 9.014 78.008 1.00 61.75 N ANISOU 3339 NZ LYS B 205 7856 7856 7749 0 0 0 N ATOM 0 H LYS B 205 79.808 12.855 74.822 1.00 55.35 H new ATOM 0 HA LYS B 205 78.970 13.838 76.534 1.00 59.37 H new ATOM 0 HB2 LYS B 205 78.487 11.271 77.610 1.00 59.59 H new ATOM 0 HB3 LYS B 205 78.506 12.488 78.586 1.00 59.59 H new ATOM 0 HG2 LYS B 205 76.632 13.394 77.619 1.00 59.87 H new ATOM 0 HG3 LYS B 205 76.694 12.390 76.427 1.00 59.87 H new ATOM 0 HD2 LYS B 205 76.377 11.288 78.994 1.00 60.44 H new ATOM 0 HD3 LYS B 205 75.117 11.947 78.354 1.00 60.44 H new ATOM 0 HE2 LYS B 205 74.738 10.125 77.238 1.00 61.16 H new ATOM 0 HE3 LYS B 205 76.080 10.325 76.468 1.00 61.16 H new ATOM 0 HZ1 LYS B 205 76.071 8.300 77.508 1.00 61.75 H new ATOM 0 HZ2 LYS B 205 77.134 9.099 78.095 1.00 61.75 H new ATOM 0 HZ3 LYS B 205 75.883 8.913 78.812 1.00 61.75 H new TER 3340 LYS B 205 HETATM 3341 N1 GSH A 301 54.049 37.810 65.893 1.00 45.10 N ANISOU 3341 N1 GSH A 301 6954 5456 4728 -2048 -1777 1443 N HETATM 3342 CA1 GSH A 301 53.964 38.235 67.232 1.00 41.57 C ANISOU 3342 CA1 GSH A 301 5671 5571 4551 -1892 -1559 1765 C HETATM 3343 C1 GSH A 301 53.030 37.291 68.016 1.00 44.45 C ANISOU 3343 C1 GSH A 301 5444 6109 5338 -2309 -1846 2068 C HETATM 3344 O11 GSH A 301 52.117 36.637 67.408 1.00 49.31 O ANISOU 3344 O11 GSH A 301 6219 6537 5978 -2697 -2354 2020 O HETATM 3345 O12 GSH A 301 53.154 37.148 69.286 1.00 42.18 O ANISOU 3345 O12 GSH A 301 4505 6159 5363 -2299 -1581 2373 O HETATM 3346 CB1 GSH A 301 53.433 39.657 67.253 1.00 39.44 C ANISOU 3346 CB1 GSH A 301 5067 5842 4075 -1640 -1725 1766 C HETATM 3347 CG1 GSH A 301 53.406 40.189 68.698 1.00 35.43 C ANISOU 3347 CG1 GSH A 301 3648 5970 3843 -1446 -1447 2077 C HETATM 3348 CD1 GSH A 301 54.829 40.596 69.144 1.00 22.78 C ANISOU 3348 CD1 GSH A 301 2110 3649 2898 748 1188 1072 C HETATM 3349 OE1 GSH A 301 55.704 40.876 68.330 1.00 29.23 O ANISOU 3349 OE1 GSH A 301 3673 4767 2665 -818 -540 1794 O HETATM 3350 N2 GSH A 301 55.104 40.638 70.562 1.00 32.19 N ANISOU 3350 N2 GSH A 301 4857 4292 3082 115 623 1392 N HETATM 3351 CA2 GSH A 301 56.394 41.027 71.062 1.00 37.52 C ANISOU 3351 CA2 GSH A 301 5814 4484 3959 -7 -798 1688 C HETATM 3352 C2 GSH A 301 56.964 39.835 71.765 1.00 44.32 C ANISOU 3352 C2 GSH A 301 7516 4745 4580 -295 -1947 2107 C HETATM 3353 O2 GSH A 301 56.241 39.036 72.357 1.00 27.93 O ANISOU 3353 O2 GSH A 301 2295 5435 2881 -18 -401 -219 O HETATM 3354 CB2 GSH A 301 56.210 42.151 72.054 1.00 42.82 C ANISOU 3354 CB2 GSH A 301 7725 4864 3681 -487 -756 1484 C HETATM 3355 SG2 GSH A 301 55.928 43.658 71.135 1.00 37.03 S ANISOU 3355 SG2 GSH A 301 5789 4719 3561 -86 151 1076 S HETATM 3356 N3 GSH A 301 58.382 39.652 71.739 1.00 26.46 N ANISOU 3356 N3 GSH A 301 2244 4880 2929 423 -256 242 N HETATM 3357 CA3 GSH A 301 58.906 38.493 72.427 1.00 25.26 C ANISOU 3357 CA3 GSH A 301 2378 4395 2826 70 -424 18 C HETATM 3358 C3 GSH A 301 60.317 38.823 72.847 1.00 23.62 C ANISOU 3358 C3 GSH A 301 2310 3712 2951 125 -359 233 C HETATM 3359 O31 GSH A 301 60.689 39.992 73.019 1.00 22.82 O ANISOU 3359 O31 GSH A 301 2120 3509 3042 311 -160 517 O HETATM 3360 O32 GSH A 301 61.124 37.893 73.021 1.00 23.32 O ANISOU 3360 O32 GSH A 301 2463 3358 3039 -18 -532 115 O HETATM 0 HN12 GSH A 301 54.538 38.244 65.334 1.00 45.10 H new HETATM 0 HN11 GSH A 301 53.612 37.116 65.634 1.00 45.10 H new HETATM 0 HG13 GSH A 301 52.810 40.952 68.758 1.00 35.43 H new HETATM 0 HG12 GSH A 301 53.055 39.509 69.294 1.00 35.43 H new HETATM 0 HB23 GSH A 301 55.460 41.966 72.641 1.00 42.82 H new HETATM 0 HB22 GSH A 301 56.995 42.239 72.617 1.00 42.82 H new HETATM 0 HB13 GSH A 301 53.991 40.227 66.701 1.00 39.44 H new HETATM 0 HB12 GSH A 301 52.540 39.682 66.874 1.00 39.44 H new HETATM 0 HA32 GSH A 301 58.360 38.278 73.200 1.00 25.26 H new HETATM 0 HA31 GSH A 301 58.895 37.716 71.846 1.00 25.26 H new HETATM 0 HSG GSH A 301 56.947 43.998 70.601 1.00 37.03 H new HETATM 0 HN3 GSH A 301 58.899 40.206 71.333 1.00 26.46 H new HETATM 0 HN2 GSH A 301 54.483 40.426 71.118 1.00 32.19 H new HETATM 0 HA2 GSH A 301 56.980 41.323 70.348 1.00 37.52 H new HETATM 0 HA1 GSH A 301 54.838 38.213 67.651 1.00 41.57 H new HETATM 3361 N1 GSH A 302 64.212 38.831 70.298 1.00 14.54 N ANISOU 3361 N1 GSH A 302 1674 1884 1968 -60 -113 516 N HETATM 3362 CA1 GSH A 302 63.833 40.020 69.589 1.00 15.21 C ANISOU 3362 CA1 GSH A 302 1763 1916 2102 90 113 582 C HETATM 3363 C1 GSH A 302 64.537 41.208 70.155 1.00 16.41 C ANISOU 3363 C1 GSH A 302 2002 1854 2378 38 194 509 C HETATM 3364 O11 GSH A 302 64.814 42.174 69.432 1.00 17.32 O ANISOU 3364 O11 GSH A 302 2149 1844 2588 92 305 578 O HETATM 3365 O12 GSH A 302 64.853 41.206 71.385 1.00 17.22 O ANISOU 3365 O12 GSH A 302 2167 1903 2471 -96 127 389 O HETATM 3366 CB1 GSH A 302 62.326 40.237 69.759 1.00 15.57 C ANISOU 3366 CB1 GSH A 302 1811 2084 2021 204 192 592 C HETATM 3367 CG1 GSH A 302 61.927 41.443 68.911 1.00 16.75 C ANISOU 3367 CG1 GSH A 302 1978 2107 2280 388 321 668 C HETATM 3368 CD1 GSH A 302 60.375 41.492 68.758 1.00 15.44 C ANISOU 3368 CD1 GSH A 302 2270 2017 1581 -339 -113 1017 C HETATM 3369 OE1 GSH A 302 59.631 40.635 69.276 1.00 16.70 O ANISOU 3369 OE1 GSH A 302 1842 2473 2030 513 330 569 O HETATM 3370 N2 GSH A 302 59.869 42.547 67.992 1.00 16.56 N ANISOU 3370 N2 GSH A 302 2521 2216 1554 70 77 1077 N HETATM 3371 CA2 GSH A 302 58.479 42.703 67.780 1.00 19.48 C ANISOU 3371 CA2 GSH A 302 2598 3050 1753 237 -93 1165 C HETATM 3372 C2 GSH A 302 58.222 42.720 66.294 1.00 20.65 C ANISOU 3372 C2 GSH A 302 3083 2940 1822 429 -275 1211 C HETATM 3373 O2 GSH A 302 58.901 43.385 65.510 1.00 16.32 O ANISOU 3373 O2 GSH A 302 1461 2606 2133 569 -768 -256 O HETATM 3374 CB2 GSH A 302 57.973 44.047 68.354 1.00 24.32 C ANISOU 3374 CB2 GSH A 302 2977 3868 2393 638 99 975 C HETATM 3375 SG2 GSH A 302 58.246 44.101 70.137 1.00 24.60 S ANISOU 3375 SG2 GSH A 302 2626 4277 2445 272 390 839 S HETATM 3376 N3 GSH A 302 57.124 41.945 65.854 1.00 27.89 N ANISOU 3376 N3 GSH A 302 2019 4909 3669 -609 -193 -941 N HETATM 3377 CA3 GSH A 302 56.806 41.944 64.444 1.00 24.88 C ANISOU 3377 CA3 GSH A 302 1715 3903 3836 67 -816 -1071 C HETATM 3378 C3 GSH A 302 56.286 40.590 64.046 1.00 28.62 C ANISOU 3378 C3 GSH A 302 2245 4314 4315 -537 -667 -844 C HETATM 3379 O31 GSH A 302 55.806 40.456 62.885 1.00 27.01 O ANISOU 3379 O31 GSH A 302 2015 3700 4547 -144 -1137 -1050 O HETATM 3380 O32 GSH A 302 56.334 39.617 64.857 1.00 32.59 O ANISOU 3380 O32 GSH A 302 2844 5156 4383 -1457 -116 -437 O HETATM 0 HN12 GSH A 302 63.878 38.071 70.073 1.00 14.54 H new HETATM 0 HN11 GSH A 302 64.773 38.878 70.948 1.00 14.54 H new HETATM 0 HG13 GSH A 302 62.245 42.260 69.326 1.00 16.75 H new HETATM 0 HG12 GSH A 302 62.345 41.387 68.037 1.00 16.75 H new HETATM 0 HB23 GSH A 302 58.436 44.784 67.926 1.00 24.32 H new HETATM 0 HB22 GSH A 302 57.029 44.154 68.161 1.00 24.32 H new HETATM 0 HB13 GSH A 302 61.836 39.448 69.479 1.00 15.57 H new HETATM 0 HB12 GSH A 302 62.108 40.391 70.692 1.00 15.57 H new HETATM 0 HA32 GSH A 302 56.142 42.625 64.252 1.00 24.88 H new HETATM 0 HA31 GSH A 302 57.595 42.163 63.925 1.00 24.88 H new HETATM 0 HSG GSH A 302 57.213 43.885 70.707 1.00 24.60 H new HETATM 0 HN3 GSH A 302 56.657 41.486 66.411 1.00 27.89 H new HETATM 0 HN2 GSH A 302 60.414 43.113 67.642 1.00 16.56 H new HETATM 0 HA2 GSH A 302 58.019 41.972 68.221 1.00 19.48 H new HETATM 0 HA1 GSH A 302 64.069 39.916 68.654 1.00 15.21 H new HETATM 3381 N1 GSH B 301 59.664 24.270 82.508 1.00 47.40 N ANISOU 3381 N1 GSH B 301 3584 6978 7448 336 -186 1939 N HETATM 3382 CA1 GSH B 301 59.818 23.822 81.183 1.00 43.23 C ANISOU 3382 CA1 GSH B 301 3005 6545 6875 18 -303 2358 C HETATM 3383 C1 GSH B 301 58.464 23.892 80.454 1.00 44.70 C ANISOU 3383 C1 GSH B 301 2811 6738 7435 38 -392 2212 C HETATM 3384 O11 GSH B 301 58.407 24.216 79.222 1.00 44.72 O ANISOU 3384 O11 GSH B 301 2710 6642 7641 -158 -822 2526 O HETATM 3385 O12 GSH B 301 57.379 23.625 81.081 1.00 46.72 O ANISOU 3385 O12 GSH B 301 2852 7106 7794 235 -40 1764 O HETATM 3386 CB1 GSH B 301 60.339 22.396 81.239 1.00 38.83 C ANISOU 3386 CB1 GSH B 301 2626 6322 5806 -208 270 2529 C HETATM 3387 CG1 GSH B 301 60.789 21.945 79.836 1.00 36.29 C ANISOU 3387 CG1 GSH B 301 2418 6037 5335 -510 75 2886 C HETATM 3388 CD1 GSH B 301 62.053 22.725 79.414 1.00 20.53 C ANISOU 3388 CD1 GSH B 301 2813 3410 1579 265 -826 742 C HETATM 3389 OE1 GSH B 301 62.885 23.141 80.236 1.00 35.31 O ANISOU 3389 OE1 GSH B 301 2610 5666 5140 -569 -462 3209 O HETATM 3390 N2 GSH B 301 62.221 22.957 78.002 1.00 28.80 N ANISOU 3390 N2 GSH B 301 4027 4843 2071 1112 -553 1010 N HETATM 3391 CA2 GSH B 301 63.381 23.642 77.528 1.00 35.87 C ANISOU 3391 CA2 GSH B 301 4237 6377 3016 1573 114 1939 C HETATM 3392 C2 GSH B 301 62.959 24.874 76.762 1.00 39.34 C ANISOU 3392 C2 GSH B 301 4345 7098 3506 1760 572 2400 C HETATM 3393 O2 GSH B 301 61.933 24.892 76.136 1.00 27.73 O ANISOU 3393 O2 GSH B 301 3395 3696 3444 -711 1274 263 O HETATM 3394 CB2 GSH B 301 64.084 22.691 76.581 1.00 43.98 C ANISOU 3394 CB2 GSH B 301 5134 8188 3389 2737 490 1909 C HETATM 3395 SG2 GSH B 301 64.910 21.393 77.518 1.00 41.42 S ANISOU 3395 SG2 GSH B 301 4963 7599 3178 2539 50 1552 S HETATM 3396 N3 GSH B 301 63.814 26.035 76.817 1.00 26.76 N ANISOU 3396 N3 GSH B 301 3552 3504 3114 -755 948 824 N HETATM 3397 CA3 GSH B 301 63.441 27.230 76.092 1.00 25.52 C ANISOU 3397 CA3 GSH B 301 3216 3380 3099 -407 964 516 C HETATM 3398 C3 GSH B 301 64.696 27.969 75.699 1.00 23.84 C ANISOU 3398 C3 GSH B 301 3080 3075 2903 -203 742 837 C HETATM 3399 O31 GSH B 301 65.790 27.385 75.525 1.00 23.10 O ANISOU 3399 O31 GSH B 301 3036 2890 2850 -180 570 1231 O HETATM 3400 O32 GSH B 301 64.623 29.205 75.529 1.00 23.63 O ANISOU 3400 O32 GSH B 301 3060 3054 2864 -59 731 657 O HETATM 0 HN12 GSH B 301 60.341 24.287 83.038 1.00 47.40 H new HETATM 0 HN11 GSH B 301 58.893 24.527 82.788 1.00 47.40 H new HETATM 0 HG13 GSH B 301 60.972 20.992 79.837 1.00 36.29 H new HETATM 0 HG12 GSH B 301 60.077 22.096 79.195 1.00 36.29 H new HETATM 0 HB23 GSH B 301 63.443 22.300 75.967 1.00 43.98 H new HETATM 0 HB22 GSH B 301 64.731 23.175 76.044 1.00 43.98 H new HETATM 0 HB13 GSH B 301 61.083 22.339 81.859 1.00 38.83 H new HETATM 0 HB12 GSH B 301 59.647 21.803 81.571 1.00 38.83 H new HETATM 0 HA32 GSH B 301 62.927 26.998 75.303 1.00 25.52 H new HETATM 0 HA31 GSH B 301 62.877 27.795 76.643 1.00 25.52 H new HETATM 0 HSG GSH B 301 65.693 21.887 78.282 1.00 41.42 H new HETATM 0 HN3 GSH B 301 64.540 26.017 77.277 1.00 26.76 H new HETATM 0 HN2 GSH B 301 61.624 22.684 77.446 1.00 28.80 H new HETATM 0 HA2 GSH B 301 63.956 23.910 78.262 1.00 35.87 H new HETATM 0 HA1 GSH B 301 60.444 24.379 80.694 1.00 43.23 H new HETATM 3401 N1 GSH B 302 67.469 30.603 78.246 1.00 17.83 N ANISOU 3401 N1 GSH B 302 1799 2404 2571 -190 333 608 N HETATM 3402 CA1 GSH B 302 68.016 29.488 78.960 1.00 17.27 C ANISOU 3402 CA1 GSH B 302 1678 2276 2609 -293 216 519 C HETATM 3403 C1 GSH B 302 69.365 29.122 78.396 1.00 18.59 C ANISOU 3403 C1 GSH B 302 1772 2397 2894 -258 291 495 C HETATM 3404 O11 GSH B 302 69.655 29.434 77.193 1.00 19.56 O ANISOU 3404 O11 GSH B 302 1888 2604 2939 -172 448 525 O HETATM 3405 O12 GSH B 302 70.208 28.549 79.138 1.00 18.48 O ANISOU 3405 O12 GSH B 302 1697 2277 3047 -321 191 431 O HETATM 3406 CB1 GSH B 302 67.037 28.298 78.836 1.00 18.20 C ANISOU 3406 CB1 GSH B 302 1842 2506 2566 -310 75 427 C HETATM 3407 CG1 GSH B 302 67.642 27.127 79.613 1.00 18.46 C ANISOU 3407 CG1 GSH B 302 1890 2417 2706 -428 -104 347 C HETATM 3408 CD1 GSH B 302 66.564 26.032 79.777 1.00 14.46 C ANISOU 3408 CD1 GSH B 302 1549 2366 1578 351 -345 587 C HETATM 3409 OE1 GSH B 302 65.426 26.136 79.237 1.00 18.03 O ANISOU 3409 OE1 GSH B 302 1955 2642 2254 -506 -239 260 O HETATM 3410 N2 GSH B 302 66.932 24.935 80.562 1.00 17.89 N ANISOU 3410 N2 GSH B 302 2896 2085 1816 308 -489 553 N HETATM 3411 CA2 GSH B 302 66.032 23.849 80.783 1.00 23.98 C ANISOU 3411 CA2 GSH B 302 4151 2502 2460 -142 -169 386 C HETATM 3412 C2 GSH B 302 65.842 23.644 82.270 1.00 24.38 C ANISOU 3412 C2 GSH B 302 5151 1886 2226 -381 -61 555 C HETATM 3413 O2 GSH B 302 66.788 23.659 83.052 1.00 17.52 O ANISOU 3413 O2 GSH B 302 3586 1504 1568 -677 573 257 O HETATM 3414 CB2 GSH B 302 66.701 22.569 80.238 1.00 27.38 C ANISOU 3414 CB2 GSH B 302 4831 2621 2953 21 -410 183 C HETATM 3415 SG2 GSH B 302 66.926 22.721 78.476 1.00 27.07 S ANISOU 3415 SG2 GSH B 302 3761 3358 3168 175 -484 -84 S HETATM 3416 N3 GSH B 302 64.523 23.395 82.737 1.00 30.02 N ANISOU 3416 N3 GSH B 302 4346 3379 3681 -1235 850 -577 N HETATM 3417 CA3 GSH B 302 64.282 23.182 84.147 1.00 25.65 C ANISOU 3417 CA3 GSH B 302 3996 2391 3360 -1074 1290 297 C HETATM 3418 C3 GSH B 302 62.996 23.841 84.522 1.00 28.79 C ANISOU 3418 C3 GSH B 302 4165 3379 3395 -1055 1224 323 C HETATM 3419 O31 GSH B 302 62.367 24.612 83.700 1.00 32.40 O ANISOU 3419 O31 GSH B 302 4390 4596 3324 -1111 757 -300 O HETATM 3420 O32 GSH B 302 62.530 23.621 85.669 1.00 28.55 O ANISOU 3420 O32 GSH B 302 4105 3175 3569 -920 1527 934 O HETATM 0 HN12 GSH B 302 66.699 30.918 78.465 1.00 17.83 H new HETATM 0 HN11 GSH B 302 67.911 30.958 77.599 1.00 17.83 H new HETATM 0 HG13 GSH B 302 68.412 26.773 79.142 1.00 18.46 H new HETATM 0 HG12 GSH B 302 67.954 27.425 80.482 1.00 18.46 H new HETATM 0 HB23 GSH B 302 67.557 22.430 80.672 1.00 27.38 H new HETATM 0 HB22 GSH B 302 66.152 21.795 80.438 1.00 27.38 H new HETATM 0 HB13 GSH B 302 66.167 28.533 79.194 1.00 18.20 H new HETATM 0 HB12 GSH B 302 66.906 28.059 77.905 1.00 18.20 H new HETATM 0 HA32 GSH B 302 64.241 22.232 84.341 1.00 25.65 H new HETATM 0 HA31 GSH B 302 65.012 23.548 84.671 1.00 25.65 H new HETATM 0 HSG GSH B 302 66.078 22.090 77.908 1.00 27.07 H new HETATM 0 HN3 GSH B 302 63.868 23.371 82.181 1.00 30.02 H new HETATM 0 HN2 GSH B 302 67.715 24.914 80.918 1.00 17.89 H new HETATM 0 HA2 GSH B 302 65.182 24.034 80.353 1.00 23.98 H new HETATM 0 HA1 GSH B 302 68.134 29.718 79.895 1.00 17.27 H new HETATM 3421 O HOH A 401 52.674 31.190 90.696 1.00 40.26 O ANISOU 3421 O HOH A 401 5099 5099 5099 0 0 0 O HETATM 3422 O HOH A 402 61.446 42.407 98.086 1.00 36.75 O ANISOU 3422 O HOH A 402 4654 4654 4654 0 0 0 O HETATM 3423 O HOH A 403 58.577 51.894 94.518 1.00 39.00 O ANISOU 3423 O HOH A 403 4939 4939 4939 0 0 0 O HETATM 3424 O HOH A 404 73.228 46.423 86.085 1.00 13.36 O ANISOU 3424 O HOH A 404 1692 1692 1692 0 0 0 O HETATM 3425 O HOH A 405 61.252 38.355 98.800 1.00 51.29 O ANISOU 3425 O HOH A 405 6496 6496 6496 0 0 0 O HETATM 3426 O HOH A 406 60.874 54.808 73.299 1.00 25.25 O ANISOU 3426 O HOH A 406 3198 3198 3198 0 0 0 O HETATM 3427 O HOH A 407 68.462 38.552 100.237 1.00 42.10 O ANISOU 3427 O HOH A 407 5332 5332 5332 0 0 0 O HETATM 3428 O HOH A 408 77.270 53.764 88.660 1.00 46.51 O ANISOU 3428 O HOH A 408 5891 5891 5891 0 0 0 O HETATM 3429 O HOH A 409 66.782 63.618 74.185 1.00 41.98 O ANISOU 3429 O HOH A 409 5317 5317 5317 0 0 0 O HETATM 3430 O HOH A 410 86.630 55.176 56.301 1.00 42.03 O ANISOU 3430 O HOH A 410 5323 5323 5323 0 0 0 O HETATM 3431 O HOH A 411 67.146 54.636 81.446 1.00 27.29 O ANISOU 3431 O HOH A 411 3456 3456 3456 0 0 0 O HETATM 3432 O HOH A 412 46.915 43.143 83.690 1.00 30.81 O ANISOU 3432 O HOH A 412 3902 3902 3902 0 0 0 O HETATM 3433 O HOH A 413 73.001 58.571 81.528 1.00 33.01 O ANISOU 3433 O HOH A 413 4181 4181 4181 0 0 0 O HETATM 3434 O HOH A 414 75.737 44.138 93.664 1.00 37.17 O ANISOU 3434 O HOH A 414 4708 4708 4708 0 0 0 O HETATM 3435 O HOH A 415 66.141 57.470 89.409 1.00 21.54 O ANISOU 3435 O HOH A 415 2728 2728 2728 0 0 0 O HETATM 3436 O HOH A 416 54.965 36.937 71.121 1.00 34.56 O ANISOU 3436 O HOH A 416 4377 4377 4377 0 0 0 O HETATM 3437 O HOH A 417 75.006 43.783 59.204 1.00 44.84 O ANISOU 3437 O HOH A 417 5679 5679 5679 0 0 0 O HETATM 3438 O HOH A 418 77.817 60.582 63.545 1.00 42.81 O ANISOU 3438 O HOH A 418 5422 5422 5422 0 0 0 O HETATM 3439 O HOH A 419 82.866 55.153 60.775 1.00 34.56 O ANISOU 3439 O HOH A 419 4377 4377 4377 0 0 0 O HETATM 3440 O HOH A 420 81.436 49.900 65.364 1.00 24.26 O ANISOU 3440 O HOH A 420 3073 3073 3073 0 0 0 O HETATM 3441 O HOH A 421 76.203 52.731 84.688 1.00 24.56 O ANISOU 3441 O HOH A 421 3111 3111 3111 0 0 0 O HETATM 3442 O HOH A 422 57.137 55.343 95.707 1.00 27.96 O ANISOU 3442 O HOH A 422 3541 3541 3541 0 0 0 O HETATM 3443 O HOH A 423 53.687 39.019 62.313 1.00 40.10 O ANISOU 3443 O HOH A 423 5079 5079 5079 0 0 0 O HETATM 3444 O HOH A 424 63.117 62.484 87.637 1.00 29.72 O ANISOU 3444 O HOH A 424 3764 3764 3764 0 0 0 O HETATM 3445 O HOH A 425 83.163 48.183 49.378 1.00 33.99 O ANISOU 3445 O HOH A 425 4305 4305 4305 0 0 0 O HETATM 3446 O HOH A 426 64.893 36.347 56.273 1.00 19.61 O ANISOU 3446 O HOH A 426 2484 2484 2484 0 0 0 O HETATM 3447 O HOH A 427 82.910 55.437 64.893 1.00 46.32 O ANISOU 3447 O HOH A 427 5866 5866 5866 0 0 0 O HETATM 3448 O HOH A 428 63.743 38.094 73.250 1.00 11.89 O ANISOU 3448 O HOH A 428 1506 1506 1506 0 0 0 O HETATM 3449 O HOH A 429 57.041 49.243 78.250 1.00 27.22 O ANISOU 3449 O HOH A 429 3447 3447 3447 0 0 0 O HETATM 3450 O HOH A 430 69.355 53.315 57.568 1.00 22.13 O ANISOU 3450 O HOH A 430 2803 2803 2803 0 0 0 O HETATM 3451 O HOH A 431 55.701 34.908 92.449 1.00 33.54 O ANISOU 3451 O HOH A 431 4248 4248 4248 0 0 0 O HETATM 3452 O HOH A 432 64.603 39.920 65.812 1.00 16.95 O ANISOU 3452 O HOH A 432 2147 2147 2147 0 0 0 O HETATM 3453 O HOH A 433 78.488 42.025 89.853 1.00 27.56 O ANISOU 3453 O HOH A 433 3491 3491 3491 0 0 0 O HETATM 3454 O HOH A 434 67.671 42.974 100.804 1.00 44.67 O ANISOU 3454 O HOH A 434 5658 5658 5658 0 0 0 O HETATM 3455 O HOH A 435 61.620 31.356 80.895 1.00 21.49 O ANISOU 3455 O HOH A 435 2722 2722 2722 0 0 0 O HETATM 3456 O HOH A 436 76.609 46.692 87.640 1.00 20.81 O ANISOU 3456 O HOH A 436 2636 2636 2636 0 0 0 O HETATM 3457 O HOH A 437 75.306 42.781 95.980 1.00 27.94 O ANISOU 3457 O HOH A 437 3539 3539 3539 0 0 0 O HETATM 3458 O HOH A 438 65.181 65.462 80.702 1.00 40.96 O ANISOU 3458 O HOH A 438 5188 5188 5188 0 0 0 O HETATM 3459 O HOH A 439 56.615 28.150 85.017 1.00 25.60 O ANISOU 3459 O HOH A 439 3242 3242 3242 0 0 0 O HETATM 3460 O HOH A 440 60.250 28.043 83.189 1.00 32.19 O ANISOU 3460 O HOH A 440 4077 4077 4077 0 0 0 O HETATM 3461 O HOH A 441 75.213 51.406 93.404 1.00 39.76 O ANISOU 3461 O HOH A 441 5036 5036 5036 0 0 0 O HETATM 3462 O HOH A 442 77.849 55.668 67.741 1.00 41.61 O ANISOU 3462 O HOH A 442 5270 5270 5270 0 0 0 O HETATM 3463 O HOH A 443 54.254 27.649 83.761 1.00 26.01 O ANISOU 3463 O HOH A 443 3294 3294 3294 0 0 0 O HETATM 3464 O HOH A 444 82.544 48.634 85.790 1.00 44.79 O ANISOU 3464 O HOH A 444 5673 5673 5673 0 0 0 O HETATM 3465 O HOH A 445 68.000 45.829 97.146 1.00 40.35 O ANISOU 3465 O HOH A 445 5110 5110 5110 0 0 0 O HETATM 3466 O HOH A 446 55.425 51.834 64.758 1.00 30.17 O ANISOU 3466 O HOH A 446 3821 3821 3821 0 0 0 O HETATM 3467 O HOH A 447 64.929 47.755 94.152 1.00 17.21 O ANISOU 3467 O HOH A 447 2180 2180 2180 0 0 0 O HETATM 3468 O HOH A 448 70.440 61.014 72.789 1.00 45.77 O ANISOU 3468 O HOH A 448 5797 5797 5797 0 0 0 O HETATM 3469 O HOH A 449 83.262 45.846 88.637 1.00 33.18 O ANISOU 3469 O HOH A 449 4202 4202 4202 0 0 0 O HETATM 3470 O HOH A 450 66.911 37.809 97.428 1.00 47.65 O ANISOU 3470 O HOH A 450 6035 6035 6035 0 0 0 O HETATM 3471 O HOH A 451 48.784 44.019 86.126 1.00 31.68 O ANISOU 3471 O HOH A 451 4012 4012 4012 0 0 0 O HETATM 3472 O HOH A 452 58.274 61.528 79.170 1.00 26.02 O ANISOU 3472 O HOH A 452 3295 3295 3295 0 0 0 O HETATM 3473 O HOH A 453 57.424 35.709 94.759 1.00 42.57 O ANISOU 3473 O HOH A 453 5392 5392 5392 0 0 0 O HETATM 3474 O HOH A 454 64.820 36.142 68.172 1.00 15.13 O ANISOU 3474 O HOH A 454 1916 1916 1916 0 0 0 O HETATM 3475 O HOH A 455 50.979 42.989 60.529 1.00 50.72 O ANISOU 3475 O HOH A 455 6424 6424 6424 0 0 0 O HETATM 3476 O HOH A 456 71.352 42.950 59.982 1.00 22.09 O ANISOU 3476 O HOH A 456 2798 2798 2798 0 0 0 O HETATM 3477 O HOH A 457 78.958 54.235 57.293 1.00 32.86 O ANISOU 3477 O HOH A 457 4162 4162 4162 0 0 0 O HETATM 3478 O HOH A 458 56.262 54.093 83.408 1.00 37.49 O ANISOU 3478 O HOH A 458 4748 4748 4748 0 0 0 O HETATM 3479 O HOH A 459 62.396 30.438 76.763 1.00 28.09 O ANISOU 3479 O HOH A 459 3558 3558 3558 0 0 0 O HETATM 3480 O HOH A 460 61.449 37.106 57.825 1.00 31.26 O ANISOU 3480 O HOH A 460 3959 3959 3959 0 0 0 O HETATM 3481 O HOH A 461 81.514 48.536 77.541 1.00 19.59 O ANISOU 3481 O HOH A 461 2481 2481 2481 0 0 0 O HETATM 3482 O HOH A 462 64.948 41.860 50.777 1.00 26.72 O ANISOU 3482 O HOH A 462 3384 3384 3384 0 0 0 O HETATM 3483 O HOH A 463 68.214 50.283 92.585 1.00 29.85 O ANISOU 3483 O HOH A 463 3781 3781 3781 0 0 0 O HETATM 3484 O HOH A 464 67.138 35.392 91.515 1.00 18.43 O ANISOU 3484 O HOH A 464 2334 2334 2334 0 0 0 O HETATM 3485 O HOH A 465 82.558 46.143 76.594 1.00 26.49 O ANISOU 3485 O HOH A 465 3355 3355 3355 0 0 0 O HETATM 3486 O HOH A 466 66.449 64.833 71.293 1.00 54.55 O ANISOU 3486 O HOH A 466 6909 6909 6909 0 0 0 O HETATM 3487 O HOH A 467 65.063 42.614 66.717 1.00 13.73 O ANISOU 3487 O HOH A 467 1739 1739 1739 0 0 0 O HETATM 3488 O HOH A 468 42.298 41.856 76.511 1.00 44.37 O ANISOU 3488 O HOH A 468 5620 5620 5620 0 0 0 O HETATM 3489 O HOH A 469 81.824 57.004 74.710 1.00 49.27 O ANISOU 3489 O HOH A 469 6240 6240 6240 0 0 0 O HETATM 3490 O HOH A 470 63.082 63.393 81.117 1.00 32.67 O ANISOU 3490 O HOH A 470 4138 4138 4138 0 0 0 O HETATM 3491 O HOH A 471 84.322 49.329 75.197 1.00 29.16 O ANISOU 3491 O HOH A 471 3693 3693 3693 0 0 0 O HETATM 3492 O HOH A 472 43.865 32.484 75.216 1.00 27.01 O ANISOU 3492 O HOH A 472 3421 3421 3421 0 0 0 O HETATM 3493 O HOH A 473 57.047 51.145 90.096 1.00 22.28 O ANISOU 3493 O HOH A 473 2822 2822 2822 0 0 0 O HETATM 3494 O HOH A 474 62.918 40.461 74.609 1.00 11.64 O ANISOU 3494 O HOH A 474 1474 1474 1474 0 0 0 O HETATM 3495 O HOH A 475 48.548 25.375 82.446 1.00 37.94 O ANISOU 3495 O HOH A 475 4805 4805 4805 0 0 0 O HETATM 3496 O HOH A 476 67.711 40.147 71.608 1.00 15.00 O ANISOU 3496 O HOH A 476 1900 1900 1900 0 0 0 O HETATM 3497 O HOH A 477 51.934 38.705 64.304 1.00 43.07 O ANISOU 3497 O HOH A 477 5455 5455 5455 0 0 0 O HETATM 3498 O HOH A 478 58.116 40.295 51.984 1.00 51.52 O ANISOU 3498 O HOH A 478 6525 6525 6525 0 0 0 O HETATM 3499 O HOH A 479 55.051 30.803 89.550 1.00 27.68 O ANISOU 3499 O HOH A 479 3506 3506 3506 0 0 0 O HETATM 3500 O HOH A 480 58.479 48.654 49.705 1.00 49.04 O ANISOU 3500 O HOH A 480 6211 6211 6211 0 0 0 O HETATM 3501 O HOH A 481 79.439 46.302 90.579 1.00 29.27 O ANISOU 3501 O HOH A 481 3707 3707 3707 0 0 0 O HETATM 3502 O HOH A 482 62.282 36.868 69.725 1.00 28.02 O ANISOU 3502 O HOH A 482 3549 3549 3549 0 0 0 O HETATM 3503 O HOH A 483 67.453 46.758 93.520 1.00 20.83 O ANISOU 3503 O HOH A 483 2638 2638 2638 0 0 0 O HETATM 3504 O HOH A 484 79.754 44.184 69.241 1.00 41.88 O ANISOU 3504 O HOH A 484 5304 5304 5304 0 0 0 O HETATM 3505 O HOH A 485 75.381 49.070 54.505 1.00 42.05 O ANISOU 3505 O HOH A 485 5326 5326 5326 0 0 0 O HETATM 3506 O HOH A 486 49.262 34.605 81.143 1.00 29.73 O ANISOU 3506 O HOH A 486 3765 3765 3765 0 0 0 O HETATM 3507 O HOH A 487 62.329 35.933 66.705 1.00 17.08 O ANISOU 3507 O HOH A 487 2163 2163 2163 0 0 0 O HETATM 3508 O HOH A 488 75.337 46.066 57.349 1.00 47.51 O ANISOU 3508 O HOH A 488 6017 6017 6017 0 0 0 O HETATM 3509 O HOH A 489 66.305 61.413 68.475 1.00 45.99 O ANISOU 3509 O HOH A 489 5825 5825 5825 0 0 0 O HETATM 3510 O HOH A 490 83.305 38.536 81.882 1.00 28.76 O ANISOU 3510 O HOH A 490 3642 3642 3642 0 0 0 O HETATM 3511 O HOH A 491 78.012 46.347 83.727 1.00 19.38 O ANISOU 3511 O HOH A 491 2455 2455 2455 0 0 0 O HETATM 3512 O HOH A 492 82.727 48.264 55.025 1.00 34.79 O ANISOU 3512 O HOH A 492 4406 4406 4406 0 0 0 O HETATM 3513 O HOH A 493 77.272 49.097 83.752 1.00 23.05 O ANISOU 3513 O HOH A 493 2919 2919 2919 0 0 0 O HETATM 3514 O HOH A 494 48.034 47.831 80.185 1.00 47.06 O ANISOU 3514 O HOH A 494 5960 5960 5960 0 0 0 O HETATM 3515 O HOH A 495 80.089 37.336 88.157 1.00 33.76 O ANISOU 3515 O HOH A 495 4276 4276 4276 0 0 0 O HETATM 3516 O HOH A 496 52.862 24.489 81.705 1.00 36.57 O ANISOU 3516 O HOH A 496 4632 4632 4632 0 0 0 O HETATM 3517 O HOH A 497 71.899 45.090 55.198 1.00 38.62 O ANISOU 3517 O HOH A 497 4891 4891 4891 0 0 0 O HETATM 3518 O HOH A 498 80.810 47.442 69.178 1.00 19.16 O ANISOU 3518 O HOH A 498 2427 2427 2427 0 0 0 O HETATM 3519 O HOH A 499 46.304 46.894 84.767 0.50 27.71 O ANISOU 3519 O HOH A 499 3510 3510 3510 0 0 0 O HETATM 3520 O HOH A 500 80.560 50.656 81.207 1.00 35.32 O ANISOU 3520 O HOH A 500 4473 4473 4473 0 0 0 O HETATM 3521 O HOH A 501 53.040 39.306 72.228 1.00 21.82 O ANISOU 3521 O HOH A 501 2764 2764 2764 0 0 0 O HETATM 3522 O HOH A 502 69.060 59.460 82.770 1.00 22.33 O ANISOU 3522 O HOH A 502 2828 2828 2828 0 0 0 O HETATM 3523 O HOH A 503 63.059 53.859 93.742 1.00 25.66 O ANISOU 3523 O HOH A 503 3250 3250 3250 0 0 0 O HETATM 3524 O HOH A 504 71.235 41.628 57.452 1.00 33.83 O ANISOU 3524 O HOH A 504 4285 4285 4285 0 0 0 O HETATM 3525 O HOH A 505 64.038 61.060 64.937 1.00 29.50 O ANISOU 3525 O HOH A 505 3736 3736 3736 0 0 0 O HETATM 3526 O HOH A 506 70.062 40.522 100.635 1.00 36.48 O ANISOU 3526 O HOH A 506 4620 4620 4620 0 0 0 O HETATM 3527 O HOH A 507 73.315 55.977 87.750 1.00 41.09 O ANISOU 3527 O HOH A 507 5204 5204 5204 0 0 0 O HETATM 3528 O HOH A 508 54.693 53.734 80.354 1.00 37.81 O ANISOU 3528 O HOH A 508 4789 4789 4789 0 0 0 O HETATM 3529 O HOH A 509 62.566 59.639 60.666 1.00 37.57 O ANISOU 3529 O HOH A 509 4758 4758 4758 0 0 0 O HETATM 3530 O HOH A 510 73.769 53.699 90.849 1.00 33.58 O ANISOU 3530 O HOH A 510 4253 4253 4253 0 0 0 O HETATM 3531 O HOH A 511 70.079 57.866 55.370 1.00 39.62 O ANISOU 3531 O HOH A 511 5018 5018 5018 0 0 0 O HETATM 3532 O HOH A 512 83.405 55.506 77.670 1.00 49.74 O ANISOU 3532 O HOH A 512 6300 6300 6300 0 0 0 O HETATM 3533 O HOH A 513 88.593 42.202 85.758 1.00 35.38 O ANISOU 3533 O HOH A 513 4481 4481 4481 0 0 0 O HETATM 3534 O HOH A 514 61.758 60.561 83.629 1.00 28.12 O ANISOU 3534 O HOH A 514 3561 3561 3561 0 0 0 O HETATM 3535 O HOH A 515 54.738 57.000 82.468 1.00 21.56 O ANISOU 3535 O HOH A 515 2731 2731 2731 0 0 0 O HETATM 3536 O HOH A 516 42.568 25.074 78.068 1.00 26.35 O ANISOU 3536 O HOH A 516 3337 3337 3337 0 0 0 O HETATM 3537 O HOH A 517 59.326 57.561 60.827 1.00 32.50 O ANISOU 3537 O HOH A 517 4116 4116 4116 0 0 0 O HETATM 3538 O HOH A 518 90.228 39.813 84.462 1.00 47.83 O ANISOU 3538 O HOH A 518 6058 6058 6058 0 0 0 O HETATM 3539 O HOH A 519 72.538 52.460 94.044 1.00 35.45 O ANISOU 3539 O HOH A 519 4490 4490 4490 0 0 0 O HETATM 3540 O HOH A 520 52.186 50.418 81.329 1.00 45.50 O ANISOU 3540 O HOH A 520 5763 5763 5763 0 0 0 O HETATM 3541 O HOH A 521 57.046 62.828 70.193 1.00 43.48 O ANISOU 3541 O HOH A 521 5507 5507 5507 0 0 0 O HETATM 3542 O HOH A 522 54.539 44.247 53.493 1.00 45.69 O ANISOU 3542 O HOH A 522 5787 5787 5787 0 0 0 O HETATM 3543 O HOH A 523 73.944 37.525 89.623 1.00 18.99 O ANISOU 3543 O HOH A 523 2405 2405 2405 0 0 0 O HETATM 3544 O HOH A 524 50.495 38.883 70.274 1.00 36.06 O ANISOU 3544 O HOH A 524 4567 4567 4567 0 0 0 O HETATM 3545 O HOH A 525 43.617 30.213 83.126 1.00 40.49 O ANISOU 3545 O HOH A 525 5128 5128 5128 0 0 0 O HETATM 3546 O HOH A 526 78.333 53.457 82.183 1.00 23.77 O ANISOU 3546 O HOH A 526 3011 3011 3011 0 0 0 O HETATM 3547 O HOH A 527 51.035 38.946 91.012 1.00 26.35 O ANISOU 3547 O HOH A 527 3337 3337 3337 0 0 0 O HETATM 3548 O HOH A 528 53.209 46.469 75.969 1.00 35.80 O ANISOU 3548 O HOH A 528 4534 4534 4534 0 0 0 O HETATM 3549 O HOH A 529 53.255 42.279 73.239 1.00 32.27 O ANISOU 3549 O HOH A 529 4087 4087 4087 0 0 0 O HETATM 3550 O HOH A 530 84.434 52.101 69.398 1.00 38.13 O ANISOU 3550 O HOH A 530 4829 4829 4829 0 0 0 O HETATM 3551 O HOH A 531 74.739 53.464 88.044 1.00 23.04 O ANISOU 3551 O HOH A 531 2918 2918 2918 0 0 0 O HETATM 3552 O HOH A 532 84.563 49.165 83.033 1.00 39.68 O ANISOU 3552 O HOH A 532 5026 5026 5026 0 0 0 O HETATM 3553 O HOH A 533 57.880 49.013 97.372 1.00 51.32 O ANISOU 3553 O HOH A 533 6500 6500 6500 0 0 0 O HETATM 3554 O HOH A 534 61.185 37.258 95.272 1.00 46.44 O ANISOU 3554 O HOH A 534 5882 5882 5882 0 0 0 O HETATM 3555 O HOH A 535 56.642 37.284 62.883 0.50 16.27 O ANISOU 3555 O HOH A 535 2061 2061 2061 0 0 0 O HETATM 3556 O HOH A 536 75.859 63.621 74.703 1.00 52.08 O ANISOU 3556 O HOH A 536 6596 6596 6596 0 0 0 O HETATM 3557 O HOH A 537 54.493 52.121 74.767 1.00 53.36 O ANISOU 3557 O HOH A 537 6758 6758 6758 0 0 0 O HETATM 3558 O HOH A 538 56.459 35.558 70.166 1.00 47.24 O ANISOU 3558 O HOH A 538 5983 5983 5983 0 0 0 O HETATM 3559 O HOH A 539 69.144 62.609 68.382 1.00 41.56 O ANISOU 3559 O HOH A 539 5264 5264 5264 0 0 0 O HETATM 3560 O HOH A 540 76.336 61.260 68.787 1.00 35.62 O ANISOU 3560 O HOH A 540 4511 4511 4511 0 0 0 O HETATM 3561 O HOH A 541 84.822 53.523 73.606 1.00 47.08 O ANISOU 3561 O HOH A 541 5963 5963 5963 0 0 0 O HETATM 3562 O HOH A 542 74.478 55.498 85.360 1.00 35.27 O ANISOU 3562 O HOH A 542 4467 4467 4467 0 0 0 O HETATM 3563 O HOH A 543 69.019 56.208 89.210 1.00 12.38 O ANISOU 3563 O HOH A 543 1568 1568 1568 0 0 0 O HETATM 3564 O HOH A 544 60.003 48.728 99.756 1.00 42.34 O ANISOU 3564 O HOH A 544 5362 5362 5362 0 0 0 O HETATM 3565 O HOH A 545 66.936 60.100 88.408 1.00 42.40 O ANISOU 3565 O HOH A 545 5370 5370 5370 0 0 0 O HETATM 3566 O HOH A 546 67.861 39.579 54.011 1.00 43.19 O ANISOU 3566 O HOH A 546 5470 5470 5470 0 0 0 O HETATM 3567 O HOH A 547 64.459 48.060 96.775 1.00 28.23 O ANISOU 3567 O HOH A 547 3575 3575 3575 0 0 0 O HETATM 3568 O HOH A 548 77.746 58.712 57.975 1.00 52.80 O ANISOU 3568 O HOH A 548 6687 6687 6687 0 0 0 O HETATM 3569 O HOH A 549 71.786 37.350 93.917 1.00 15.97 O ANISOU 3569 O HOH A 549 2023 2023 2023 0 0 0 O HETATM 3570 O HOH A 550 68.910 35.353 98.399 1.00 40.40 O ANISOU 3570 O HOH A 550 5117 5117 5117 0 0 0 O HETATM 3571 O HOH A 551 56.479 50.905 57.734 1.00 18.56 O ANISOU 3571 O HOH A 551 2351 2351 2351 0 0 0 O HETATM 3572 O HOH A 552 53.525 49.634 65.115 1.00 28.51 O ANISOU 3572 O HOH A 552 3611 3611 3611 0 0 0 O HETATM 3573 O HOH A 553 81.247 36.148 91.074 1.00 47.62 O ANISOU 3573 O HOH A 553 6031 6031 6031 0 0 0 O HETATM 3574 O HOH A 554 73.578 42.618 56.927 1.00 39.21 O ANISOU 3574 O HOH A 554 4966 4966 4966 0 0 0 O HETATM 3575 O HOH A 555 65.659 50.310 93.323 1.00 28.82 O ANISOU 3575 O HOH A 555 3650 3650 3650 0 0 0 O HETATM 3576 O HOH A 556 53.415 51.837 86.200 1.00 37.22 O ANISOU 3576 O HOH A 556 4714 4714 4714 0 0 0 O HETATM 3577 O HOH A 557 55.760 35.499 67.744 0.50 25.10 O ANISOU 3577 O HOH A 557 3179 3179 3179 0 0 0 O HETATM 3578 O HOH A 558 76.767 36.141 88.851 1.00 51.46 O ANISOU 3578 O HOH A 558 6517 6517 6517 0 0 0 O HETATM 3579 O HOH A 559 56.448 32.326 91.469 1.00 32.17 O ANISOU 3579 O HOH A 559 4074 4074 4074 0 0 0 O HETATM 3580 O HOH A 560 70.528 40.455 54.142 1.00 39.70 O ANISOU 3580 O HOH A 560 5028 5028 5028 0 0 0 O HETATM 3581 O HOH A 561 55.436 49.148 75.645 1.00 22.84 O ANISOU 3581 O HOH A 561 2893 2893 2893 0 0 0 O HETATM 3582 O HOH A 562 53.791 48.241 54.060 1.00 29.13 O ANISOU 3582 O HOH A 562 3689 3689 3689 0 0 0 O HETATM 3583 O HOH A 563 73.399 47.879 55.654 1.00 45.82 O ANISOU 3583 O HOH A 563 5803 5803 5803 0 0 0 O HETATM 3584 O HOH A 564 67.140 55.329 94.701 0.50 37.33 O ANISOU 3584 O HOH A 564 4728 4728 4728 0 0 0 O HETATM 3585 O HOH A 565 42.188 30.158 65.088 1.00 51.97 O ANISOU 3585 O HOH A 565 6582 6582 6582 0 0 0 O HETATM 3586 O HOH A 566 67.299 57.020 93.424 0.50 22.70 O ANISOU 3586 O HOH A 566 2875 2875 2875 0 0 0 O HETATM 3587 O HOH A 567 70.282 59.642 85.467 1.00 29.82 O ANISOU 3587 O HOH A 567 3777 3777 3777 0 0 0 O HETATM 3588 O HOH A 568 54.651 33.938 67.098 0.50 30.92 O ANISOU 3588 O HOH A 568 3916 3916 3916 0 0 0 O HETATM 3589 O HOH A 569 76.407 38.046 90.714 1.00 34.80 O ANISOU 3589 O HOH A 569 4407 4407 4407 0 0 0 O HETATM 3590 O HOH A 570 78.948 39.058 90.265 1.00 41.54 O ANISOU 3590 O HOH A 570 5261 5261 5261 0 0 0 O HETATM 3591 O HOH A 571 69.729 36.145 92.576 1.00 31.32 O ANISOU 3591 O HOH A 571 3967 3967 3967 0 0 0 O HETATM 3592 O HOH A 572 70.388 61.299 81.298 1.00 35.05 O ANISOU 3592 O HOH A 572 4439 4439 4439 0 0 0 O HETATM 3593 O HOH A 573 66.157 39.873 52.379 1.00 44.47 O ANISOU 3593 O HOH A 573 5632 5632 5632 0 0 0 O HETATM 3594 O HOH A 574 65.287 52.841 94.800 1.00 39.15 O ANISOU 3594 O HOH A 574 4958 4958 4958 0 0 0 O HETATM 3595 O HOH A 575 63.807 60.636 91.845 1.00 39.08 O ANISOU 3595 O HOH A 575 4950 4950 4950 0 0 0 O HETATM 3596 O HOH A 576 79.586 50.455 83.727 1.00 34.89 O ANISOU 3596 O HOH A 576 4419 4419 4419 0 0 0 O HETATM 3597 O HOH A 577 75.323 57.511 83.312 1.00 40.75 O ANISOU 3597 O HOH A 577 5161 5161 5161 0 0 0 O HETATM 3598 O HOH A 578 55.118 36.533 61.647 0.50 28.31 O ANISOU 3598 O HOH A 578 3586 3586 3586 0 0 0 O HETATM 3599 O HOH A 579 41.658 31.298 81.692 1.00 40.37 O ANISOU 3599 O HOH A 579 5113 5113 5113 0 0 0 O HETATM 3600 O HOH A 580 54.141 50.428 55.898 1.00 29.13 O ANISOU 3600 O HOH A 580 3689 3689 3689 0 0 0 O HETATM 3601 O HOH A 581 72.807 35.784 91.012 1.00 30.34 O ANISOU 3601 O HOH A 581 3843 3843 3843 0 0 0 O HETATM 3602 O HOH A 582 56.534 28.759 89.728 1.00 45.78 O ANISOU 3602 O HOH A 582 5798 5798 5798 0 0 0 O HETATM 3603 O HOH A 583 65.109 58.200 91.777 1.00 31.44 O ANISOU 3603 O HOH A 583 3982 3982 3982 0 0 0 O HETATM 3604 O HOH A 584 86.035 51.541 75.314 1.00 50.22 O ANISOU 3604 O HOH A 584 6360 6360 6360 0 0 0 O HETATM 3605 O HOH A 585 53.385 48.615 67.642 1.00 35.32 O ANISOU 3605 O HOH A 585 4473 4473 4473 0 0 0 O HETATM 3606 O HOH A 586 61.428 29.476 78.917 1.00 33.59 O ANISOU 3606 O HOH A 586 4254 4254 4254 0 0 0 O HETATM 3607 O HOH A 587 56.396 63.274 78.473 1.00 37.06 O ANISOU 3607 O HOH A 587 4694 4694 4694 0 0 0 O HETATM 3608 O HOH A 588 41.116 25.514 75.464 1.00 35.52 O ANISOU 3608 O HOH A 588 4499 4499 4499 0 0 0 O HETATM 3609 O HOH A 589 84.502 49.652 68.884 1.00 31.90 O ANISOU 3609 O HOH A 589 4040 4040 4040 0 0 0 O HETATM 3610 O HOH A 590 82.312 48.923 67.561 1.00 31.69 O ANISOU 3610 O HOH A 590 4014 4014 4014 0 0 0 O HETATM 3611 O HOH A 591 56.829 27.134 87.481 1.00 34.80 O ANISOU 3611 O HOH A 591 4407 4407 4407 0 0 0 O HETATM 3612 O HOH A 592 83.868 54.463 67.583 1.00 56.47 O ANISOU 3612 O HOH A 592 7152 7152 7152 0 0 0 O HETATM 3613 O HOH A 593 77.342 56.269 82.047 1.00 41.62 O ANISOU 3613 O HOH A 593 5271 5271 5271 0 0 0 O HETATM 3614 O HOH A 594 53.144 45.569 68.542 1.00 55.83 O ANISOU 3614 O HOH A 594 7071 7071 7071 0 0 0 O HETATM 3615 O HOH B 401 71.090 33.988 48.515 1.00 28.79 O ANISOU 3615 O HOH B 401 3646 3646 3646 0 0 0 O HETATM 3616 O HOH B 402 86.397 45.491 60.295 1.00 44.48 O ANISOU 3616 O HOH B 402 5633 5633 5633 0 0 0 O HETATM 3617 O HOH B 403 50.786 24.112 61.189 1.00 47.43 O ANISOU 3617 O HOH B 403 6007 6007 6007 0 0 0 O HETATM 3618 O HOH B 404 81.701 18.571 59.106 1.00 34.09 O ANISOU 3618 O HOH B 404 4318 4318 4318 0 0 0 O HETATM 3619 O HOH B 405 50.806 21.348 63.555 1.00 45.24 O ANISOU 3619 O HOH B 405 5730 5730 5730 0 0 0 O HETATM 3620 O HOH B 406 59.030 18.071 75.644 0.50 37.60 O ANISOU 3620 O HOH B 406 4762 4762 4762 0 0 0 O HETATM 3621 O HOH B 407 76.647 16.795 75.258 1.00 38.78 O ANISOU 3621 O HOH B 407 4912 4912 4912 0 0 0 O HETATM 3622 O HOH B 408 64.073 29.802 90.645 1.00 33.40 O ANISOU 3622 O HOH B 408 4230 4230 4230 0 0 0 O HETATM 3623 O HOH B 409 78.554 33.058 92.230 1.00 37.72 O ANISOU 3623 O HOH B 409 4777 4777 4777 0 0 0 O HETATM 3624 O HOH B 410 87.234 19.384 76.020 1.00 38.22 O ANISOU 3624 O HOH B 410 4841 4841 4841 0 0 0 O HETATM 3625 O HOH B 411 87.403 22.620 67.207 1.00 28.17 O ANISOU 3625 O HOH B 411 3568 3568 3568 0 0 0 O HETATM 3626 O HOH B 412 78.477 35.520 52.804 1.00 25.04 O ANISOU 3626 O HOH B 412 3171 3171 3171 0 0 0 O HETATM 3627 O HOH B 413 79.360 31.577 62.574 1.00 17.13 O ANISOU 3627 O HOH B 413 2170 2170 2170 0 0 0 O HETATM 3628 O HOH B 414 86.114 38.816 60.137 1.00 33.36 O ANISOU 3628 O HOH B 414 4225 4225 4225 0 0 0 O HETATM 3629 O HOH B 415 80.523 21.436 67.289 1.00 28.08 O ANISOU 3629 O HOH B 415 3556 3556 3556 0 0 0 O HETATM 3630 O HOH B 416 65.857 15.058 65.448 1.00 34.03 O ANISOU 3630 O HOH B 416 4310 4310 4310 0 0 0 O HETATM 3631 O HOH B 417 46.225 34.328 66.332 1.00 46.91 O ANISOU 3631 O HOH B 417 5941 5941 5941 0 0 0 O HETATM 3632 O HOH B 418 66.723 30.785 75.322 1.00 14.36 O ANISOU 3632 O HOH B 418 1819 1819 1819 0 0 0 O HETATM 3633 O HOH B 419 70.857 16.749 58.418 1.00 41.33 O ANISOU 3633 O HOH B 419 5235 5235 5235 0 0 0 O HETATM 3634 O HOH B 420 56.033 21.586 59.948 1.00 43.95 O ANISOU 3634 O HOH B 420 5566 5566 5566 0 0 0 O HETATM 3635 O HOH B 421 69.807 18.237 70.579 1.00 32.73 O ANISOU 3635 O HOH B 421 4145 4145 4145 0 0 0 O HETATM 3636 O HOH B 422 52.602 31.707 64.814 1.00 27.45 O ANISOU 3636 O HOH B 422 3477 3477 3477 0 0 0 O HETATM 3637 O HOH B 423 69.950 28.638 97.946 1.00 22.94 O ANISOU 3637 O HOH B 423 2905 2905 2905 0 0 0 O HETATM 3638 O HOH B 424 70.263 15.246 83.842 1.00 26.81 O ANISOU 3638 O HOH B 424 3396 3396 3396 0 0 0 O HETATM 3639 O HOH B 425 79.642 35.196 55.188 1.00 38.77 O ANISOU 3639 O HOH B 425 4910 4910 4910 0 0 0 O HETATM 3640 O HOH B 426 68.546 30.095 82.798 1.00 17.97 O ANISOU 3640 O HOH B 426 2276 2276 2276 0 0 0 O HETATM 3641 O HOH B 427 59.658 25.886 77.562 1.00 35.88 O ANISOU 3641 O HOH B 427 4544 4544 4544 0 0 0 O HETATM 3642 O HOH B 428 66.001 32.966 80.461 1.00 17.27 O ANISOU 3642 O HOH B 428 2187 2187 2187 0 0 0 O HETATM 3643 O HOH B 429 84.062 40.734 58.226 1.00 38.75 O ANISOU 3643 O HOH B 429 4908 4908 4908 0 0 0 O HETATM 3644 O HOH B 430 60.441 35.301 71.780 1.00 25.25 O ANISOU 3644 O HOH B 430 3198 3198 3198 0 0 0 O HETATM 3645 O HOH B 431 59.990 22.919 86.186 1.00 39.48 O ANISOU 3645 O HOH B 431 5000 5000 5000 0 0 0 O HETATM 3646 O HOH B 432 80.078 38.432 58.900 1.00 24.70 O ANISOU 3646 O HOH B 432 3128 3128 3128 0 0 0 O HETATM 3647 O HOH B 433 60.468 34.266 67.709 1.00 20.51 O ANISOU 3647 O HOH B 433 2598 2598 2598 0 0 0 O HETATM 3648 O HOH B 434 67.346 35.245 57.134 1.00 17.15 O ANISOU 3648 O HOH B 434 2172 2172 2172 0 0 0 O HETATM 3649 O HOH B 435 48.781 20.914 73.344 1.00 25.34 O ANISOU 3649 O HOH B 435 3209 3209 3209 0 0 0 O HETATM 3650 O HOH B 436 82.775 37.615 79.558 1.00 46.70 O ANISOU 3650 O HOH B 436 5915 5915 5915 0 0 0 O HETATM 3651 O HOH B 437 64.616 17.649 72.664 1.00 35.38 O ANISOU 3651 O HOH B 437 4481 4481 4481 0 0 0 O HETATM 3652 O HOH B 438 81.061 23.808 91.228 1.00 21.60 O ANISOU 3652 O HOH B 438 2736 2736 2736 0 0 0 O HETATM 3653 O HOH B 439 94.888 34.216 92.240 1.00 41.71 O ANISOU 3653 O HOH B 439 5283 5283 5283 0 0 0 O HETATM 3654 O HOH B 440 54.753 33.052 63.382 1.00 24.16 O ANISOU 3654 O HOH B 440 3060 3060 3060 0 0 0 O HETATM 3655 O HOH B 441 70.513 20.104 51.713 1.00 41.48 O ANISOU 3655 O HOH B 441 5254 5254 5254 0 0 0 O HETATM 3656 O HOH B 442 85.967 29.061 64.051 1.00 27.67 O ANISOU 3656 O HOH B 442 3504 3504 3504 0 0 0 O HETATM 3657 O HOH B 443 70.837 32.040 77.040 1.00 15.17 O ANISOU 3657 O HOH B 443 1921 1921 1921 0 0 0 O HETATM 3658 O HOH B 444 87.308 34.732 83.464 1.00 24.33 O ANISOU 3658 O HOH B 444 3081 3081 3081 0 0 0 O HETATM 3659 O HOH B 445 83.903 12.305 67.503 1.00 34.39 O ANISOU 3659 O HOH B 445 4356 4356 4356 0 0 0 O HETATM 3660 O HOH B 446 81.089 13.608 64.939 1.00 35.33 O ANISOU 3660 O HOH B 446 4475 4475 4475 0 0 0 O HETATM 3661 O HOH B 447 57.168 35.719 65.287 1.00 30.51 O ANISOU 3661 O HOH B 447 3864 3864 3864 0 0 0 O HETATM 3662 O HOH B 448 81.978 33.740 61.007 1.00 22.16 O ANISOU 3662 O HOH B 448 2807 2807 2807 0 0 0 O HETATM 3663 O HOH B 449 74.327 25.174 54.329 1.00 19.92 O ANISOU 3663 O HOH B 449 2523 2523 2523 0 0 0 O HETATM 3664 O HOH B 450 91.390 31.767 90.939 1.00 25.29 O ANISOU 3664 O HOH B 450 3203 3203 3203 0 0 0 O HETATM 3665 O HOH B 451 53.963 28.471 57.921 1.00 49.18 O ANISOU 3665 O HOH B 451 6229 6229 6229 0 0 0 O HETATM 3666 O HOH B 452 75.664 27.502 54.824 1.00 22.38 O ANISOU 3666 O HOH B 452 2834 2834 2834 0 0 0 O HETATM 3667 O HOH B 453 76.553 26.396 95.708 1.00 19.19 O ANISOU 3667 O HOH B 453 2430 2430 2430 0 0 0 O HETATM 3668 O HOH B 454 86.443 14.277 74.366 1.00 43.71 O ANISOU 3668 O HOH B 454 5536 5536 5536 0 0 0 O HETATM 3669 O HOH B 455 53.967 23.115 67.307 1.00 30.64 O ANISOU 3669 O HOH B 455 3881 3881 3881 0 0 0 O HETATM 3670 O HOH B 456 84.105 29.052 55.287 1.00 38.18 O ANISOU 3670 O HOH B 456 4836 4836 4836 0 0 0 O HETATM 3671 O HOH B 457 89.109 37.096 73.542 1.00 29.05 O ANISOU 3671 O HOH B 457 3679 3679 3679 0 0 0 O HETATM 3672 O HOH B 458 75.396 32.669 88.687 1.00 20.11 O ANISOU 3672 O HOH B 458 2547 2547 2547 0 0 0 O HETATM 3673 O HOH B 459 85.708 38.126 72.280 1.00 25.92 O ANISOU 3673 O HOH B 459 3283 3283 3283 0 0 0 O HETATM 3674 O HOH B 460 92.263 25.462 84.358 1.00 54.29 O ANISOU 3674 O HOH B 460 6876 6876 6876 0 0 0 O HETATM 3675 O HOH B 461 43.445 16.730 74.717 1.00 35.49 O ANISOU 3675 O HOH B 461 4495 4495 4495 0 0 0 O HETATM 3676 O HOH B 462 87.522 33.654 67.739 1.00 31.35 O ANISOU 3676 O HOH B 462 3971 3971 3971 0 0 0 O HETATM 3677 O HOH B 463 59.875 22.452 76.199 1.00 26.26 O ANISOU 3677 O HOH B 463 3326 3326 3326 0 0 0 O HETATM 3678 O HOH B 464 87.405 45.721 63.373 1.00 40.39 O ANISOU 3678 O HOH B 464 5115 5115 5115 0 0 0 O HETATM 3679 O HOH B 465 67.741 28.615 73.929 1.00 15.15 O ANISOU 3679 O HOH B 465 1919 1919 1919 0 0 0 O HETATM 3680 O HOH B 466 65.993 33.030 92.367 1.00 25.87 O ANISOU 3680 O HOH B 466 3276 3276 3276 0 0 0 O HETATM 3681 O HOH B 467 50.579 16.760 74.297 1.00 50.65 O ANISOU 3681 O HOH B 467 6415 6415 6415 0 0 0 O HETATM 3682 O HOH B 468 87.465 36.266 63.022 1.00 38.67 O ANISOU 3682 O HOH B 468 4898 4898 4898 0 0 0 O HETATM 3683 O HOH B 469 55.649 30.070 58.920 1.00 29.68 O ANISOU 3683 O HOH B 469 3759 3759 3759 0 0 0 O HETATM 3684 O HOH B 470 93.781 36.159 93.840 1.00 44.16 O ANISOU 3684 O HOH B 470 5593 5593 5593 0 0 0 O HETATM 3685 O HOH B 471 81.192 44.261 66.901 1.00 30.35 O ANISOU 3685 O HOH B 471 3844 3844 3844 0 0 0 O HETATM 3686 O HOH B 472 78.472 37.577 56.784 1.00 34.02 O ANISOU 3686 O HOH B 472 4309 4309 4309 0 0 0 O HETATM 3687 O HOH B 473 85.291 36.024 79.539 1.00 20.90 O ANISOU 3687 O HOH B 473 2647 2647 2647 0 0 0 O HETATM 3688 O HOH B 474 70.721 28.485 81.945 1.00 16.53 O ANISOU 3688 O HOH B 474 2094 2094 2094 0 0 0 O HETATM 3689 O HOH B 475 92.136 31.929 88.361 1.00 30.34 O ANISOU 3689 O HOH B 475 3843 3843 3843 0 0 0 O HETATM 3690 O HOH B 476 57.505 21.123 78.643 1.00 32.81 O ANISOU 3690 O HOH B 476 4155 4155 4155 0 0 0 O HETATM 3691 O HOH B 477 79.342 34.627 89.678 1.00 40.56 O ANISOU 3691 O HOH B 477 5137 5137 5137 0 0 0 O HETATM 3692 O HOH B 478 82.703 34.889 64.970 1.00 18.82 O ANISOU 3692 O HOH B 478 2384 2384 2384 0 0 0 O HETATM 3693 O HOH B 479 58.676 27.773 55.901 1.00 30.91 O ANISOU 3693 O HOH B 479 3915 3915 3915 0 0 0 O HETATM 3694 O HOH B 480 64.060 31.498 81.945 1.00 17.48 O ANISOU 3694 O HOH B 480 2214 2214 2214 0 0 0 O HETATM 3695 O HOH B 481 71.433 13.271 67.884 1.00 44.26 O ANISOU 3695 O HOH B 481 5606 5606 5606 0 0 0 O HETATM 3696 O HOH B 482 86.630 35.951 71.386 1.00 20.28 O ANISOU 3696 O HOH B 482 2568 2568 2568 0 0 0 O HETATM 3697 O HOH B 483 83.813 36.051 58.275 1.00 29.14 O ANISOU 3697 O HOH B 483 3691 3691 3691 0 0 0 O HETATM 3698 O HOH B 484 47.207 29.285 65.762 1.00 28.19 O ANISOU 3698 O HOH B 484 3570 3570 3570 0 0 0 O HETATM 3699 O HOH B 485 80.581 33.444 91.357 1.00 45.08 O ANISOU 3699 O HOH B 485 5709 5709 5709 0 0 0 O HETATM 3700 O HOH B 486 64.683 30.694 78.992 1.00 27.43 O ANISOU 3700 O HOH B 486 3474 3474 3474 0 0 0 O HETATM 3701 O HOH B 487 60.041 28.260 53.966 1.00 41.77 O ANISOU 3701 O HOH B 487 5290 5290 5290 0 0 0 O HETATM 3702 O HOH B 488 84.799 21.181 93.337 1.00 38.17 O ANISOU 3702 O HOH B 488 4834 4834 4834 0 0 0 O HETATM 3703 O HOH B 489 89.230 37.846 65.583 1.00 37.50 O ANISOU 3703 O HOH B 489 4749 4749 4749 0 0 0 O HETATM 3704 O HOH B 490 45.140 20.044 82.443 1.00 55.79 O ANISOU 3704 O HOH B 490 7066 7066 7066 0 0 0 O HETATM 3705 O HOH B 491 85.476 24.674 60.506 1.00 34.90 O ANISOU 3705 O HOH B 491 4420 4420 4420 0 0 0 O HETATM 3706 O HOH B 492 59.407 26.844 81.134 1.00 35.19 O ANISOU 3706 O HOH B 492 4457 4457 4457 0 0 0 O HETATM 3707 O HOH B 493 73.756 38.485 59.158 1.00 17.12 O ANISOU 3707 O HOH B 493 2168 2168 2168 0 0 0 O HETATM 3708 O HOH B 494 49.470 32.865 66.733 1.00 35.47 O ANISOU 3708 O HOH B 494 4492 4492 4492 0 0 0 O HETATM 3709 O HOH B 495 85.218 27.490 60.669 1.00 26.20 O ANISOU 3709 O HOH B 495 3318 3318 3318 0 0 0 O HETATM 3710 O HOH B 496 85.040 19.346 65.699 1.00 30.08 O ANISOU 3710 O HOH B 496 3810 3810 3810 0 0 0 O HETATM 3711 O HOH B 497 72.924 29.807 47.858 1.00 57.88 O ANISOU 3711 O HOH B 497 7331 7331 7331 0 0 0 O HETATM 3712 O HOH B 498 82.797 14.516 83.663 1.00 32.89 O ANISOU 3712 O HOH B 498 4166 4166 4166 0 0 0 O HETATM 3713 O HOH B 499 49.227 16.819 72.249 1.00 51.63 O ANISOU 3713 O HOH B 499 6539 6539 6539 0 0 0 O HETATM 3714 O HOH B 500 63.992 29.513 53.147 1.00 46.19 O ANISOU 3714 O HOH B 500 5850 5850 5850 0 0 0 O HETATM 3715 O HOH B 501 69.773 19.742 98.743 1.00 43.90 O ANISOU 3715 O HOH B 501 5560 5560 5560 0 0 0 O HETATM 3716 O HOH B 502 91.668 22.811 80.075 1.00 44.97 O ANISOU 3716 O HOH B 502 5696 5696 5696 0 0 0 O HETATM 3717 O HOH B 503 80.412 33.363 51.368 1.00 48.12 O ANISOU 3717 O HOH B 503 6094 6094 6094 0 0 0 O HETATM 3718 O HOH B 504 88.205 26.998 93.085 1.00 32.75 O ANISOU 3718 O HOH B 504 4148 4148 4148 0 0 0 O HETATM 3719 O HOH B 505 87.897 30.136 66.644 1.00 24.81 O ANISOU 3719 O HOH B 505 3142 3142 3142 0 0 0 O HETATM 3720 O HOH B 506 89.726 36.449 68.692 1.00 58.66 O ANISOU 3720 O HOH B 506 7429 7429 7429 0 0 0 O HETATM 3721 O HOH B 507 78.077 43.066 60.495 1.00 30.53 O ANISOU 3721 O HOH B 507 3867 3867 3867 0 0 0 O HETATM 3722 O HOH B 508 78.330 44.713 58.063 1.00 38.76 O ANISOU 3722 O HOH B 508 4909 4909 4909 0 0 0 O HETATM 3723 O HOH B 509 71.794 36.441 48.511 1.00 42.49 O ANISOU 3723 O HOH B 509 5381 5381 5381 0 0 0 O HETATM 3724 O HOH B 510 86.907 37.039 93.884 1.00 29.27 O ANISOU 3724 O HOH B 510 3707 3707 3707 0 0 0 O HETATM 3725 O HOH B 511 87.724 17.231 80.280 1.00 53.02 O ANISOU 3725 O HOH B 511 6715 6715 6715 0 0 0 O HETATM 3726 O HOH B 512 62.101 20.543 75.234 1.00 34.46 O ANISOU 3726 O HOH B 512 4364 4364 4364 0 0 0 O HETATM 3727 O HOH B 513 84.517 26.226 57.417 1.00 34.30 O ANISOU 3727 O HOH B 513 4344 4344 4344 0 0 0 O HETATM 3728 O HOH B 514 74.345 33.551 91.208 1.00 40.12 O ANISOU 3728 O HOH B 514 5081 5081 5081 0 0 0 O HETATM 3729 O HOH B 515 84.152 32.526 65.050 1.00 25.19 O ANISOU 3729 O HOH B 515 3190 3190 3190 0 0 0 O HETATM 3730 O HOH B 516 60.943 26.473 85.650 1.00 28.35 O ANISOU 3730 O HOH B 516 3591 3591 3591 0 0 0 O HETATM 3731 O HOH B 517 91.103 35.294 79.461 0.50 22.36 O ANISOU 3731 O HOH B 517 2832 2832 2832 0 0 0 O HETATM 3732 O HOH B 518 42.122 24.818 68.777 1.00 42.88 O ANISOU 3732 O HOH B 518 5431 5431 5431 0 0 0 O HETATM 3733 O HOH B 519 74.032 33.493 94.759 1.00 43.64 O ANISOU 3733 O HOH B 519 5527 5527 5527 0 0 0 O HETATM 3734 O HOH B 520 66.358 16.492 93.785 1.00 43.29 O ANISOU 3734 O HOH B 520 5483 5483 5483 0 0 0 O HETATM 3735 O HOH B 521 58.380 21.472 57.522 1.00 30.27 O ANISOU 3735 O HOH B 521 3834 3834 3834 0 0 0 O HETATM 3736 O HOH B 522 70.290 16.456 90.760 1.00 21.10 O ANISOU 3736 O HOH B 522 2672 2672 2672 0 0 0 O HETATM 3737 O HOH B 523 77.210 13.971 88.294 1.00 39.64 O ANISOU 3737 O HOH B 523 5020 5020 5020 0 0 0 O HETATM 3738 O HOH B 524 92.703 34.613 75.544 1.00 63.56 O ANISOU 3738 O HOH B 524 8050 8050 8050 0 0 0 O HETATM 3739 O HOH B 525 86.120 18.350 93.795 1.00 52.70 O ANISOU 3739 O HOH B 525 6675 6675 6675 0 0 0 O HETATM 3740 O HOH B 526 65.249 14.387 68.755 1.00 50.80 O ANISOU 3740 O HOH B 526 6434 6434 6434 0 0 0 O HETATM 3741 O HOH B 527 74.484 41.554 60.069 1.00 39.97 O ANISOU 3741 O HOH B 527 5062 5062 5062 0 0 0 O HETATM 3742 O HOH B 528 89.206 19.900 69.833 1.00 48.32 O ANISOU 3742 O HOH B 528 6120 6120 6120 0 0 0 O HETATM 3743 O HOH B 529 58.447 21.774 84.078 1.00 48.43 O ANISOU 3743 O HOH B 529 6134 6134 6134 0 0 0 O HETATM 3744 O HOH B 530 72.212 37.372 54.859 1.00 14.39 O ANISOU 3744 O HOH B 530 1823 1823 1823 0 0 0 O HETATM 3745 O HOH B 531 67.276 15.273 83.421 1.00 26.90 O ANISOU 3745 O HOH B 531 3407 3407 3407 0 0 0 O HETATM 3746 O HOH B 532 81.896 21.590 59.626 1.00 24.11 O ANISOU 3746 O HOH B 532 3054 3054 3054 0 0 0 O HETATM 3747 O HOH B 533 85.129 15.569 80.128 0.50 26.93 O ANISOU 3747 O HOH B 533 3411 3411 3411 0 0 0 O HETATM 3748 O HOH B 534 86.073 41.471 75.330 1.00 52.08 O ANISOU 3748 O HOH B 534 6596 6596 6596 0 0 0 O HETATM 3749 O HOH B 535 87.416 40.381 72.985 1.00 55.55 O ANISOU 3749 O HOH B 535 7035 7035 7035 0 0 0 O HETATM 3750 O HOH B 536 76.756 34.580 91.849 1.00 33.53 O ANISOU 3750 O HOH B 536 4247 4247 4247 0 0 0 O HETATM 3751 O HOH B 537 86.557 26.070 63.469 1.00 31.65 O ANISOU 3751 O HOH B 537 4009 4009 4009 0 0 0 O HETATM 3752 O HOH B 538 68.865 17.191 72.810 1.00 35.79 O ANISOU 3752 O HOH B 538 4533 4533 4533 0 0 0 O HETATM 3753 O HOH B 539 57.655 30.050 56.942 1.00 31.92 O ANISOU 3753 O HOH B 539 4043 4043 4043 0 0 0 O HETATM 3754 O HOH B 540 76.040 39.801 58.098 1.00 30.19 O ANISOU 3754 O HOH B 540 3824 3824 3824 0 0 0 O HETATM 3755 O HOH B 541 83.070 14.909 79.845 0.50 31.40 O ANISOU 3755 O HOH B 541 3977 3977 3977 0 0 0 O HETATM 3756 O HOH B 542 58.625 20.083 76.681 0.50 21.34 O ANISOU 3756 O HOH B 542 2703 2703 2703 0 0 0 O HETATM 3757 O HOH B 543 71.243 33.145 94.681 1.00 42.76 O ANISOU 3757 O HOH B 543 5416 5416 5416 0 0 0 O HETATM 3758 O HOH B 544 73.918 24.817 51.667 1.00 38.40 O ANISOU 3758 O HOH B 544 4863 4863 4863 0 0 0 O HETATM 3759 O HOH B 545 78.729 40.939 58.612 1.00 42.99 O ANISOU 3759 O HOH B 545 5445 5445 5445 0 0 0 O HETATM 3760 O HOH B 546 86.660 33.126 65.465 1.00 39.61 O ANISOU 3760 O HOH B 546 5017 5017 5017 0 0 0 O HETATM 3761 O HOH B 547 65.080 17.885 75.946 1.00 38.25 O ANISOU 3761 O HOH B 547 4844 4844 4844 0 0 0 O HETATM 3762 O HOH B 548 69.495 36.517 55.901 1.00 31.83 O ANISOU 3762 O HOH B 548 4031 4031 4031 0 0 0 O HETATM 3763 O HOH B 549 70.545 31.973 47.585 1.00 45.38 O ANISOU 3763 O HOH B 549 5747 5747 5747 0 0 0 O HETATM 3764 O HOH B 550 82.565 24.810 55.675 1.00 44.79 O ANISOU 3764 O HOH B 550 5673 5673 5673 0 0 0 O HETATM 3765 O HOH B 551 48.625 31.204 64.948 1.00 42.83 O ANISOU 3765 O HOH B 551 5424 5424 5424 0 0 0 O HETATM 3766 O HOH B 552 91.971 36.297 73.720 1.00 43.59 O ANISOU 3766 O HOH B 552 5521 5521 5521 0 0 0 O HETATM 3767 O HOH B 553 71.620 38.818 57.477 1.00 30.14 O ANISOU 3767 O HOH B 553 3817 3817 3817 0 0 0 O HETATM 3768 O HOH B 554 80.860 17.644 56.497 1.00 42.58 O ANISOU 3768 O HOH B 554 5393 5393 5393 0 0 0 O HETATM 3769 O HOH B 555 54.997 32.661 59.112 1.00 50.30 O ANISOU 3769 O HOH B 555 6371 6371 6371 0 0 0 O HETATM 3770 O HOH B 556 89.696 36.935 79.940 0.50 20.02 O ANISOU 3770 O HOH B 556 2536 2536 2536 0 0 0 O HETATM 3771 O HOH B 557 59.013 35.461 69.572 1.00 29.89 O ANISOU 3771 O HOH B 557 3786 3786 3786 0 0 0 O HETATM 3772 O HOH B 558 87.343 36.039 81.214 1.00 31.42 O ANISOU 3772 O HOH B 558 3979 3979 3979 0 0 0 O HETATM 3773 O HOH B 559 66.456 16.098 81.007 1.00 45.70 O ANISOU 3773 O HOH B 559 5788 5788 5788 0 0 0 O HETATM 3774 O HOH B 560 50.356 31.905 63.436 1.00 45.00 O ANISOU 3774 O HOH B 560 5699 5699 5699 0 0 0 O HETATM 3775 O HOH B 561 82.640 38.543 57.804 1.00 35.67 O ANISOU 3775 O HOH B 561 4518 4518 4518 0 0 0 O HETATM 3776 O HOH B 562 57.469 32.120 56.102 1.00 43.47 O ANISOU 3776 O HOH B 562 5506 5506 5506 0 0 0 O HETATM 3777 O HOH B 563 54.231 33.743 60.773 0.50 26.84 O ANISOU 3777 O HOH B 563 3399 3399 3399 0 0 0 O HETATM 3778 O HOH B 564 77.684 28.839 95.822 1.00 30.98 O ANISOU 3778 O HOH B 564 3924 3924 3924 0 0 0 O HETATM 3779 O HOH B 565 96.624 33.548 94.106 1.00 40.89 O ANISOU 3779 O HOH B 565 5179 5179 5179 0 0 0 O HETATM 3780 O HOH B 566 44.554 29.670 64.401 1.00 40.94 O ANISOU 3780 O HOH B 566 5185 5185 5185 0 0 0 O HETATM 3781 O HOH B 567 83.413 16.957 55.178 1.00 35.07 O ANISOU 3781 O HOH B 567 4442 4442 4442 0 0 0 O CONECT 3341 3342 CONECT 3342 3341 3343 3346 CONECT 3343 3342 3344 3345 CONECT 3344 3343 CONECT 3345 3343 CONECT 3346 3342 3347 CONECT 3347 3346 3348 CONECT 3348 3347 3349 3350 CONECT 3349 3348 CONECT 3350 3348 3351 CONECT 3351 3350 3352 3354 CONECT 3352 3351 3353 3356 CONECT 3353 3352 CONECT 3354 3351 3355 CONECT 3355 3354 CONECT 3356 3352 3357 CONECT 3357 3356 3358 CONECT 3358 3357 3359 3360 CONECT 3359 3358 CONECT 3360 3358 CONECT 3361 3362 CONECT 3362 3361 3363 3366 CONECT 3363 3362 3364 3365 CONECT 3364 3363 CONECT 3365 3363 CONECT 3366 3362 3367 CONECT 3367 3366 3368 CONECT 3368 3367 3369 3370 CONECT 3369 3368 CONECT 3370 3368 3371 CONECT 3371 3370 3372 3374 CONECT 3372 3371 3373 3376 CONECT 3373 3372 CONECT 3374 3371 3375 CONECT 3375 3374 CONECT 3376 3372 3377 CONECT 3377 3376 3378 CONECT 3378 3377 3379 3380 CONECT 3379 3378 CONECT 3380 3378 CONECT 3381 3382 CONECT 3382 3381 3383 3386 CONECT 3383 3382 3384 3385 CONECT 3384 3383 CONECT 3385 3383 CONECT 3386 3382 3387 CONECT 3387 3386 3388 CONECT 3388 3387 3389 3390 CONECT 3389 3388 CONECT 3390 3388 3391 CONECT 3391 3390 3392 3394 CONECT 3392 3391 3393 3396 CONECT 3393 3392 CONECT 3394 3391 3395 CONECT 3395 3394 CONECT 3396 3392 3397 CONECT 3397 3396 3398 CONECT 3398 3397 3399 3400 CONECT 3399 3398 CONECT 3400 3398 CONECT 3401 3402 CONECT 3402 3401 3403 3406 CONECT 3403 3402 3404 3405 CONECT 3404 3403 CONECT 3405 3403 CONECT 3406 3402 3407 CONECT 3407 3406 3408 CONECT 3408 3407 3409 3410 CONECT 3409 3408 CONECT 3410 3408 3411 CONECT 3411 3410 3412 3414 CONECT 3412 3411 3413 3416 CONECT 3413 3412 CONECT 3414 3411 3415 CONECT 3415 3414 CONECT 3416 3412 3417 CONECT 3417 3416 3418 CONECT 3418 3417 3419 3420 CONECT 3419 3418 CONECT 3420 3418 END