USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1018 hydrogens (0 hets) HEADER CELLULOSE DEGRADATION 27-JUL-96 1ULO TITLE N-TERMINAL CELLULOSE-BINDING DOMAIN FROM CELLULOMONAS FIMI TITLE 2 BETA-1,4-GLUCANASE C, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: ENDOGLUCANASE C; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL CELLULOSE-BINDING DOMAIN; COMPND 5 SYNONYM: CENC, ENDO-1,4-BETA-GLUCANASE C; COMPND 6 EC: 3.2.1.4; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: CELLULOMONAS FIMI; SOURCE 3 ORGANISM_TAXID: 1708; SOURCE 4 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 5 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 6 EXPRESSION_SYSTEM_STRAIN: JM101; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PTUG KEYWDS CELLULOSE DEGRADATION, CELLULOSE-BINDING DOMAIN, HYDROLASE EXPDTA SOLUTION NMR AUTHOR P.E.JOHNSON,L.P.MCINTOSH REVDAT 3 24-FEB-09 1ULO 1 VERSN REVDAT 2 01-APR-03 1ULO 1 JRNL REVDAT 1 01-APR-97 1ULO 0 JRNL AUTH P.E.JOHNSON,M.D.JOSHI,P.TOMME,D.G.KILBURN, JRNL AUTH 2 L.P.MCINTOSH JRNL TITL STRUCTURE OF THE N-TERMINAL CELLULOSE-BINDING JRNL TITL 2 DOMAIN OF CELLULOMONAS FIMI CENC DETERMINED BY JRNL TITL 3 NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 35 14381 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8916925 JRNL DOI 10.1021/BI961612S REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.E.JOHNSON,P.TOMME,M.D.JOSHI,L.P.MCINTOSH REMARK 1 TITL INTERACTION OF SOLUBLE CELLOOLIGOSACCHARIDES WITH REMARK 1 TITL 2 THE N-TERMINAL CELLULOSE-BINDING DOMAIN OF REMARK 1 TITL 3 CELLULOMONAS FIMI CENC. 2. NMR AND ULTRAVIOLET REMARK 1 TITL 4 ABSORPTION SPECTROSCOPY REMARK 1 REF BIOCHEMISTRY V. 35 13895 1996 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 2 REMARK 1 AUTH J.B.COUTINHO,N.R.GILKES,R.A.WARREN,D.G.KILBURN, REMARK 1 AUTH 2 R.C.MILLER JUNIOR REMARK 1 TITL THE BINDING OF CELLULOMONAS FIMI ENDOGLUCANASE C REMARK 1 TITL 2 (CENC) TO CELLULOSE AND SEPHADEX IS MEDIATED BY REMARK 1 TITL 3 THE N-TERMINAL REPEATS REMARK 1 REF MOL.MICROBIOL. V. 6 1243 1992 REMARK 1 REFN ISSN 0950-382X REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1ULO COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 5.9 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE JOURNAL PUBLICATION REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NMRPIPE, PIPP REMARK 210 METHOD USED : XPLOR V3.1 REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. 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 PRO A 3 -156.68 -76.40 REMARK 500 GLU A 6 95.07 -42.08 REMARK 500 THR A 8 -141.92 -92.93 REMARK 500 ASP A 10 45.81 -84.35 REMARK 500 ASP A 11 44.08 161.67 REMARK 500 GLU A 14 -90.53 63.07 REMARK 500 THR A 21 -156.65 -148.28 REMARK 500 PRO A 24 -158.47 -74.26 REMARK 500 THR A 27 -83.58 -124.55 REMARK 500 SER A 28 54.12 35.51 REMARK 500 THR A 29 -34.37 -177.74 REMARK 500 SER A 40 56.69 25.32 REMARK 500 GLN A 42 -157.98 171.27 REMARK 500 GLU A 56 -154.43 36.75 REMARK 500 VAL A 74 -148.48 -91.19 REMARK 500 LEU A 77 -149.53 179.82 REMARK 500 ALA A 83 157.22 -49.46 REMARK 500 TYR A 85 153.26 61.30 REMARK 500 ASP A 90 80.28 -152.02 REMARK 500 ALA A 108 104.08 -57.11 REMARK 500 SER A 109 52.44 -92.16 REMARK 500 ALA A 110 -156.13 -158.91 REMARK 500 PRO A 121 -159.75 -73.72 REMARK 500 GLU A 122 -140.31 -154.46 REMARK 500 GLN A 124 -157.88 -150.35 REMARK 500 PHE A 132 -61.73 -145.61 REMARK 500 ALA A 134 -85.10 -94.85 REMARK 500 TRP A 137 -159.15 -141.99 REMARK 500 ASP A 142 46.34 171.04 REMARK 500 ASP A 143 70.20 169.69 REMARK 500 GLU A 149 94.27 -62.08 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ULP RELATED DB: PDB DBREF 1ULO A 1 152 UNP P14090 GUNC_CELFI 33 184 SEQADV 1ULO LEU A 139 UNP P14090 PHE 171 CONFLICT SEQRES 1 A 152 ALA SER PRO ILE GLY GLU GLY THR PHE ASP ASP GLY PRO SEQRES 2 A 152 GLU GLY TRP VAL ALA TYR GLY THR ASP GLY PRO LEU ASP SEQRES 3 A 152 THR SER THR GLY ALA LEU CYS VAL ALA VAL PRO ALA GLY SEQRES 4 A 152 SER ALA GLN TYR GLY VAL GLY VAL VAL LEU ASN GLY VAL SEQRES 5 A 152 ALA ILE GLU GLU GLY THR THR TYR THR LEU ARG TYR THR SEQRES 6 A 152 ALA THR ALA SER THR ASP VAL THR VAL ARG ALA LEU VAL SEQRES 7 A 152 GLY GLN ASN GLY ALA PRO TYR GLY THR VAL LEU ASP THR SEQRES 8 A 152 SER PRO ALA LEU THR SER GLU PRO ARG GLN VAL THR GLU SEQRES 9 A 152 THR PHE THR ALA SER ALA THR TYR PRO ALA THR PRO ALA SEQRES 10 A 152 ALA ASP ASP PRO GLU GLY GLN ILE ALA PHE GLN LEU GLY SEQRES 11 A 152 GLY PHE SER ALA ASP ALA TRP THR LEU CYS LEU ASP ASP SEQRES 12 A 152 VAL ALA LEU ASP SER GLU VAL GLU LEU SHEET 1 A 5 VAL A 17 TYR A 19 0 SHEET 2 A 5 VAL A 45 ASN A 50 -1 O GLY A 46 N TYR A 19 SHEET 3 A 5 GLU A 122 LEU A 129 -1 O PHE A 127 N VAL A 47 SHEET 4 A 5 VAL A 72 ASN A 81 -1 O LEU A 77 N ALA A 126 SHEET 5 A 5 GLY A 86 THR A 96 -1 O THR A 91 N ALA A 76 SHEET 1 B 5 LEU A 25 THR A 27 0 SHEET 2 B 5 ALA A 31 VAL A 36 -1 O CYS A 33 N ASP A 26 SHEET 3 B 5 TRP A 137 SER A 148 -1 O LEU A 139 N VAL A 34 SHEET 4 B 5 THR A 58 ALA A 68 -1 O ARG A 63 N ALA A 145 SHEET 5 B 5 ARG A 100 ALA A 108 -1 O GLU A 104 N LEU A 62 SSBOND *** CYS A 33 CYS A 140 1555 1555 2.02 CISPEP 1 ALA A 83 PRO A 84 0 -0.14 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 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 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 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 Set 1.1: A 81 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.6!) USER MOD Set 1.2: A 124 GLN : amide:sc= -0.0863 K(o=-1.3,f=-3.4!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.529 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0185 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0664 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 166:sc= -7.08! USER MOD Single : A 42 GLN : amide:sc= -0.134 K(o=-0.13,f=-4.2!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.114 USER MOD Single : A 50 ASN : amide:sc= -1.42 K(o=-1.4,f=-3.4!) USER MOD Single : A 58 THR OG1 : rot 104:sc= 0.118 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00759 USER MOD Single : A 60 TYR OH : rot 50:sc= -1.2 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 171:sc= -1.88! USER MOD Single : A 65 THR OG1 : rot 170:sc= -2.74! USER MOD Single : A 67 THR OG1 : rot 140:sc= -2.3! USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -1.12 K(o=-1.1,f=-4.1!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0412 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.425 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= -0.0234 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 112 TYR OH : rot 9:sc= -2.52! USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.137 USER MOD Single : A 128 GLN : amide:sc= -0.0158 X(o=-0.016,f=-0.35) USER MOD Single : A 133 SER OG : rot -123:sc= 0.0758 USER MOD Single : A 138 THR OG1 : rot -84:sc= -1.56! USER MOD Single : A 148 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -15.078 6.823 6.535 1.00 3.59 N ATOM 2 CA ALA A 1 -15.220 6.430 7.966 1.00 3.42 C ATOM 3 C ALA A 1 -13.844 6.359 8.634 1.00 3.07 C ATOM 4 O ALA A 1 -13.495 7.188 9.450 1.00 3.45 O ATOM 5 CB ALA A 1 -15.871 5.048 7.934 1.00 4.20 C ATOM 0 H1 ALA A 1 -16.018 6.868 6.092 1.00 3.59 H new ATOM 0 H2 ALA A 1 -14.622 7.756 6.475 1.00 3.59 H new ATOM 0 H3 ALA A 1 -14.495 6.120 6.038 1.00 3.59 H new ATOM 0 HA ALA A 1 -15.812 7.147 8.534 1.00 3.42 H new ATOM 0 HB1 ALA A 1 -16.010 4.688 8.953 1.00 4.20 H new ATOM 0 HB2 ALA A 1 -16.839 5.113 7.437 1.00 4.20 H new ATOM 0 HB3 ALA A 1 -15.229 4.356 7.389 1.00 4.20 H new ATOM 13 N SER A 2 -13.061 5.372 8.291 1.00 2.82 N ATOM 14 CA SER A 2 -11.707 5.245 8.903 1.00 2.70 C ATOM 15 C SER A 2 -10.650 5.056 7.810 1.00 1.94 C ATOM 16 O SER A 2 -10.436 3.958 7.335 1.00 2.49 O ATOM 17 CB SER A 2 -11.790 4.004 9.791 1.00 3.86 C ATOM 18 OG SER A 2 -10.864 4.130 10.862 1.00 4.49 O ATOM 0 H SER A 2 -13.300 4.648 7.613 1.00 2.82 H new ATOM 0 HA SER A 2 -11.423 6.132 9.469 1.00 2.70 H new ATOM 0 HB2 SER A 2 -12.801 3.889 10.181 1.00 3.86 H new ATOM 0 HB3 SER A 2 -11.570 3.110 9.208 1.00 3.86 H new ATOM 0 HG SER A 2 -10.916 3.336 11.434 1.00 4.49 H new ATOM 24 N PRO A 3 -10.023 6.143 7.449 1.00 1.28 N ATOM 25 CA PRO A 3 -8.976 6.107 6.403 1.00 1.37 C ATOM 26 C PRO A 3 -7.679 5.527 6.973 1.00 1.11 C ATOM 27 O PRO A 3 -7.687 4.803 7.949 1.00 1.27 O ATOM 28 CB PRO A 3 -8.801 7.577 6.025 1.00 2.10 C ATOM 29 CG PRO A 3 -9.244 8.349 7.227 1.00 2.27 C ATOM 30 CD PRO A 3 -10.231 7.493 7.979 1.00 1.78 C ATOM 0 HA PRO A 3 -9.238 5.483 5.549 1.00 1.37 H new ATOM 0 HB2 PRO A 3 -7.763 7.798 5.776 1.00 2.10 H new ATOM 0 HB3 PRO A 3 -9.400 7.832 5.151 1.00 2.10 H new ATOM 0 HG2 PRO A 3 -8.391 8.596 7.859 1.00 2.27 H new ATOM 0 HG3 PRO A 3 -9.703 9.292 6.929 1.00 2.27 H new ATOM 0 HD2 PRO A 3 -10.051 7.530 9.053 1.00 1.78 H new ATOM 0 HD3 PRO A 3 -11.255 7.830 7.816 1.00 1.78 H new ATOM 38 N ILE A 4 -6.566 5.840 6.373 1.00 0.86 N ATOM 39 CA ILE A 4 -5.269 5.306 6.879 1.00 0.80 C ATOM 40 C ILE A 4 -4.369 6.454 7.346 1.00 1.01 C ATOM 41 O ILE A 4 -3.186 6.479 7.068 1.00 1.29 O ATOM 42 CB ILE A 4 -4.642 4.590 5.683 1.00 0.56 C ATOM 43 CG1 ILE A 4 -4.237 5.624 4.630 1.00 0.50 C ATOM 44 CG2 ILE A 4 -5.657 3.617 5.077 1.00 0.55 C ATOM 45 CD1 ILE A 4 -3.881 4.915 3.323 1.00 0.59 C ATOM 0 H ILE A 4 -6.497 6.443 5.553 1.00 0.86 H new ATOM 0 HA ILE A 4 -5.402 4.639 7.731 1.00 0.80 H new ATOM 0 HB ILE A 4 -3.762 4.037 6.011 1.00 0.56 H new ATOM 0 HG12 ILE A 4 -5.053 6.327 4.463 1.00 0.50 H new ATOM 0 HG13 ILE A 4 -3.385 6.204 4.984 1.00 0.50 H new ATOM 0 HG21 ILE A 4 -5.208 3.107 4.224 1.00 0.55 H new ATOM 0 HG22 ILE A 4 -5.949 2.882 5.827 1.00 0.55 H new ATOM 0 HG23 ILE A 4 -6.538 4.168 4.748 1.00 0.55 H new ATOM 0 HD11 ILE A 4 -3.593 5.654 2.575 1.00 0.59 H new ATOM 0 HD12 ILE A 4 -3.051 4.230 3.495 1.00 0.59 H new ATOM 0 HD13 ILE A 4 -4.745 4.355 2.966 1.00 0.59 H new ATOM 57 N GLY A 5 -4.919 7.405 8.050 1.00 1.21 N ATOM 58 CA GLY A 5 -4.093 8.550 8.530 1.00 1.48 C ATOM 59 C GLY A 5 -3.730 9.446 7.345 1.00 1.16 C ATOM 60 O GLY A 5 -2.586 9.530 6.945 1.00 1.80 O ATOM 0 H GLY A 5 -5.904 7.439 8.314 1.00 1.21 H new ATOM 0 HA2 GLY A 5 -4.643 9.122 9.277 1.00 1.48 H new ATOM 0 HA3 GLY A 5 -3.188 8.182 9.013 1.00 1.48 H new ATOM 64 N GLU A 6 -4.698 10.116 6.779 1.00 1.18 N ATOM 65 CA GLU A 6 -4.412 11.006 5.617 1.00 1.06 C ATOM 66 C GLU A 6 -3.122 11.795 5.856 1.00 1.22 C ATOM 67 O GLU A 6 -3.128 12.838 6.481 1.00 1.66 O ATOM 68 CB GLU A 6 -5.612 11.950 5.538 1.00 1.38 C ATOM 69 CG GLU A 6 -5.977 12.193 4.072 1.00 1.94 C ATOM 70 CD GLU A 6 -7.173 13.144 3.993 1.00 2.39 C ATOM 71 OE1 GLU A 6 -7.338 13.934 4.907 1.00 2.91 O ATOM 72 OE2 GLU A 6 -7.904 13.065 3.019 1.00 2.75 O ATOM 0 H GLU A 6 -5.675 10.085 7.071 1.00 1.18 H new ATOM 0 HA GLU A 6 -4.272 10.445 4.693 1.00 1.06 H new ATOM 0 HB2 GLU A 6 -6.462 11.520 6.068 1.00 1.38 H new ATOM 0 HB3 GLU A 6 -5.377 12.896 6.026 1.00 1.38 H new ATOM 0 HG2 GLU A 6 -5.126 12.618 3.540 1.00 1.94 H new ATOM 0 HG3 GLU A 6 -6.218 11.248 3.585 1.00 1.94 H new ATOM 79 N GLY A 7 -2.017 11.308 5.363 1.00 1.36 N ATOM 80 CA GLY A 7 -0.730 12.033 5.562 1.00 1.85 C ATOM 81 C GLY A 7 0.440 11.069 5.369 1.00 1.40 C ATOM 82 O GLY A 7 0.292 9.999 4.814 1.00 1.60 O ATOM 0 H GLY A 7 -1.949 10.440 4.831 1.00 1.36 H new ATOM 0 HA2 GLY A 7 -0.654 12.859 4.855 1.00 1.85 H new ATOM 0 HA3 GLY A 7 -0.696 12.466 6.562 1.00 1.85 H new ATOM 86 N THR A 8 1.605 11.444 5.823 1.00 1.40 N ATOM 87 CA THR A 8 2.791 10.554 5.665 1.00 1.29 C ATOM 88 C THR A 8 2.960 9.672 6.906 1.00 1.06 C ATOM 89 O THR A 8 1.998 9.209 7.487 1.00 1.78 O ATOM 90 CB THR A 8 3.982 11.505 5.521 1.00 1.99 C ATOM 91 OG1 THR A 8 4.317 12.035 6.796 1.00 2.31 O ATOM 92 CG2 THR A 8 3.620 12.648 4.571 1.00 2.40 C ATOM 0 H THR A 8 1.787 12.329 6.297 1.00 1.40 H new ATOM 0 HA THR A 8 2.694 9.886 4.809 1.00 1.29 H new ATOM 0 HB THR A 8 4.834 10.959 5.116 1.00 1.99 H new ATOM 0 HG1 THR A 8 5.080 12.643 6.707 1.00 2.31 H new ATOM 0 HG21 THR A 8 4.471 13.322 4.472 1.00 2.40 H new ATOM 0 HG22 THR A 8 3.364 12.241 3.593 1.00 2.40 H new ATOM 0 HG23 THR A 8 2.767 13.197 4.970 1.00 2.40 H new ATOM 100 N PHE A 9 4.176 9.439 7.316 1.00 1.00 N ATOM 101 CA PHE A 9 4.411 8.591 8.520 1.00 0.94 C ATOM 102 C PHE A 9 5.295 9.342 9.518 1.00 1.19 C ATOM 103 O PHE A 9 6.227 8.794 10.072 1.00 1.92 O ATOM 104 CB PHE A 9 5.130 7.347 7.995 1.00 0.86 C ATOM 105 CG PHE A 9 4.208 6.577 7.080 1.00 0.62 C ATOM 106 CD1 PHE A 9 2.944 6.180 7.533 1.00 1.30 C ATOM 107 CD2 PHE A 9 4.618 6.257 5.780 1.00 1.32 C ATOM 108 CE1 PHE A 9 2.089 5.465 6.685 1.00 1.30 C ATOM 109 CE2 PHE A 9 3.763 5.541 4.932 1.00 1.29 C ATOM 110 CZ PHE A 9 2.499 5.145 5.385 1.00 0.57 C ATOM 0 H PHE A 9 5.019 9.800 6.869 1.00 1.00 H new ATOM 0 HA PHE A 9 3.486 8.335 9.038 1.00 0.94 H new ATOM 0 HB2 PHE A 9 6.033 7.636 7.458 1.00 0.86 H new ATOM 0 HB3 PHE A 9 5.442 6.717 8.828 1.00 0.86 H new ATOM 0 HD1 PHE A 9 2.628 6.425 8.536 1.00 1.30 H new ATOM 0 HD2 PHE A 9 5.593 6.562 5.431 1.00 1.32 H new ATOM 0 HE1 PHE A 9 1.113 5.160 7.034 1.00 1.30 H new ATOM 0 HE2 PHE A 9 4.079 5.295 3.929 1.00 1.29 H new ATOM 0 HZ PHE A 9 1.840 4.593 4.732 1.00 0.57 H new ATOM 120 N ASP A 10 5.015 10.597 9.744 1.00 1.04 N ATOM 121 CA ASP A 10 5.844 11.388 10.699 1.00 1.26 C ATOM 122 C ASP A 10 5.360 11.175 12.137 1.00 1.23 C ATOM 123 O ASP A 10 5.218 12.115 12.894 1.00 1.50 O ATOM 124 CB ASP A 10 5.647 12.844 10.277 1.00 1.59 C ATOM 125 CG ASP A 10 4.248 13.309 10.685 1.00 2.14 C ATOM 126 OD1 ASP A 10 3.370 12.467 10.776 1.00 2.65 O ATOM 127 OD2 ASP A 10 4.080 14.498 10.899 1.00 2.71 O ATOM 0 H ASP A 10 4.248 11.109 9.309 1.00 1.04 H new ATOM 0 HA ASP A 10 6.893 11.091 10.676 1.00 1.26 H new ATOM 0 HB2 ASP A 10 6.402 13.475 10.745 1.00 1.59 H new ATOM 0 HB3 ASP A 10 5.774 12.942 9.199 1.00 1.59 H new ATOM 132 N ASP A 11 5.114 9.945 12.517 1.00 1.07 N ATOM 133 CA ASP A 11 4.641 9.650 13.908 1.00 1.27 C ATOM 134 C ASP A 11 4.006 8.258 13.960 1.00 1.21 C ATOM 135 O ASP A 11 2.963 8.063 14.552 1.00 1.96 O ATOM 136 CB ASP A 11 3.586 10.713 14.227 1.00 1.49 C ATOM 137 CG ASP A 11 4.156 11.712 15.236 1.00 2.17 C ATOM 138 OD1 ASP A 11 5.128 11.373 15.892 1.00 2.76 O ATOM 139 OD2 ASP A 11 3.611 12.798 15.336 1.00 2.69 O ATOM 0 H ASP A 11 5.221 9.126 11.919 1.00 1.07 H new ATOM 0 HA ASP A 11 5.463 9.669 14.623 1.00 1.27 H new ATOM 0 HB2 ASP A 11 3.289 11.231 13.315 1.00 1.49 H new ATOM 0 HB3 ASP A 11 2.691 10.242 14.632 1.00 1.49 H new ATOM 144 N GLY A 12 4.626 7.288 13.346 1.00 0.92 N ATOM 145 CA GLY A 12 4.056 5.911 13.361 1.00 0.99 C ATOM 146 C GLY A 12 3.485 5.580 11.982 1.00 0.90 C ATOM 147 O GLY A 12 2.914 6.429 11.325 1.00 1.00 O ATOM 0 H GLY A 12 5.503 7.389 12.835 1.00 0.92 H new ATOM 0 HA2 GLY A 12 4.828 5.190 13.629 1.00 0.99 H new ATOM 0 HA3 GLY A 12 3.274 5.838 14.117 1.00 0.99 H new ATOM 151 N PRO A 13 3.661 4.348 11.589 1.00 0.83 N ATOM 152 CA PRO A 13 3.162 3.887 10.272 1.00 0.88 C ATOM 153 C PRO A 13 1.658 3.592 10.326 1.00 0.81 C ATOM 154 O PRO A 13 1.112 2.984 9.431 1.00 1.08 O ATOM 155 CB PRO A 13 3.945 2.603 10.028 1.00 1.03 C ATOM 156 CG PRO A 13 4.320 2.100 11.388 1.00 0.99 C ATOM 157 CD PRO A 13 4.343 3.281 12.328 1.00 0.87 C ATOM 0 HA PRO A 13 3.296 4.631 9.487 1.00 0.88 H new ATOM 0 HB2 PRO A 13 3.341 1.871 9.491 1.00 1.03 H new ATOM 0 HB3 PRO A 13 4.831 2.792 9.421 1.00 1.03 H new ATOM 0 HG2 PRO A 13 3.603 1.354 11.730 1.00 0.99 H new ATOM 0 HG3 PRO A 13 5.296 1.615 11.360 1.00 0.99 H new ATOM 0 HD2 PRO A 13 3.830 3.055 13.263 1.00 0.87 H new ATOM 0 HD3 PRO A 13 5.364 3.565 12.585 1.00 0.87 H new ATOM 165 N GLU A 14 0.989 4.012 11.367 1.00 0.83 N ATOM 166 CA GLU A 14 -0.478 3.753 11.478 1.00 0.79 C ATOM 167 C GLU A 14 -0.755 2.245 11.546 1.00 0.64 C ATOM 168 O GLU A 14 -0.791 1.664 12.613 1.00 0.66 O ATOM 169 CB GLU A 14 -1.100 4.377 10.224 1.00 0.83 C ATOM 170 CG GLU A 14 -2.623 4.248 10.292 1.00 1.39 C ATOM 171 CD GLU A 14 -3.214 5.503 10.935 1.00 2.13 C ATOM 172 OE1 GLU A 14 -2.532 6.106 11.748 1.00 2.80 O ATOM 173 OE2 GLU A 14 -4.338 5.842 10.604 1.00 2.73 O ATOM 0 H GLU A 14 1.396 4.525 12.149 1.00 0.83 H new ATOM 0 HA GLU A 14 -0.901 4.183 12.386 1.00 0.79 H new ATOM 0 HB2 GLU A 14 -0.816 5.427 10.148 1.00 0.83 H new ATOM 0 HB3 GLU A 14 -0.722 3.879 9.331 1.00 0.83 H new ATOM 0 HG2 GLU A 14 -3.032 4.113 9.291 1.00 1.39 H new ATOM 0 HG3 GLU A 14 -2.898 3.366 10.871 1.00 1.39 H new ATOM 180 N GLY A 15 -0.957 1.604 10.427 1.00 0.59 N ATOM 181 CA GLY A 15 -1.235 0.139 10.452 1.00 0.60 C ATOM 182 C GLY A 15 -0.420 -0.566 9.364 1.00 0.52 C ATOM 183 O GLY A 15 -0.515 -1.764 9.184 1.00 0.58 O ATOM 0 H GLY A 15 -0.942 2.029 9.500 1.00 0.59 H new ATOM 0 HA2 GLY A 15 -0.983 -0.271 11.430 1.00 0.60 H new ATOM 0 HA3 GLY A 15 -2.299 -0.041 10.295 1.00 0.60 H new ATOM 187 N TRP A 16 0.379 0.165 8.637 1.00 0.51 N ATOM 188 CA TRP A 16 1.198 -0.463 7.562 1.00 0.46 C ATOM 189 C TRP A 16 2.095 -1.559 8.146 1.00 0.47 C ATOM 190 O TRP A 16 2.931 -1.303 8.989 1.00 0.65 O ATOM 191 CB TRP A 16 2.049 0.676 7.002 1.00 0.44 C ATOM 192 CG TRP A 16 1.275 1.409 5.955 1.00 0.42 C ATOM 193 CD1 TRP A 16 0.632 2.584 6.145 1.00 0.44 C ATOM 194 CD2 TRP A 16 1.054 1.040 4.564 1.00 0.43 C ATOM 195 NE1 TRP A 16 0.028 2.959 4.958 1.00 0.43 N ATOM 196 CE2 TRP A 16 0.259 2.038 3.954 1.00 0.43 C ATOM 197 CE3 TRP A 16 1.462 -0.055 3.782 1.00 0.48 C ATOM 198 CZ2 TRP A 16 -0.117 1.953 2.613 1.00 0.45 C ATOM 199 CZ3 TRP A 16 1.084 -0.144 2.432 1.00 0.53 C ATOM 200 CH2 TRP A 16 0.296 0.858 1.849 1.00 0.50 C ATOM 0 H TRP A 16 0.500 1.172 8.741 1.00 0.51 H new ATOM 0 HA TRP A 16 0.581 -0.933 6.796 1.00 0.46 H new ATOM 0 HB2 TRP A 16 2.334 1.358 7.803 1.00 0.44 H new ATOM 0 HB3 TRP A 16 2.971 0.280 6.577 1.00 0.44 H new ATOM 0 HD1 TRP A 16 0.596 3.138 7.071 1.00 0.44 H new ATOM 0 HE1 TRP A 16 -0.520 3.811 4.839 1.00 0.43 H new ATOM 0 HE3 TRP A 16 2.070 -0.832 4.222 1.00 0.48 H new ATOM 0 HZ2 TRP A 16 -0.723 2.728 2.168 1.00 0.45 H new ATOM 0 HZ3 TRP A 16 1.402 -0.989 1.840 1.00 0.53 H new ATOM 0 HH2 TRP A 16 0.008 0.784 0.811 1.00 0.50 H new ATOM 211 N VAL A 17 1.934 -2.775 7.701 1.00 0.41 N ATOM 212 CA VAL A 17 2.789 -3.877 8.232 1.00 0.41 C ATOM 213 C VAL A 17 3.570 -4.529 7.087 1.00 0.38 C ATOM 214 O VAL A 17 3.098 -4.612 5.971 1.00 0.42 O ATOM 215 CB VAL A 17 1.828 -4.893 8.888 1.00 0.43 C ATOM 216 CG1 VAL A 17 0.600 -4.174 9.457 1.00 0.51 C ATOM 217 CG2 VAL A 17 1.370 -5.938 7.858 1.00 0.49 C ATOM 0 H VAL A 17 1.251 -3.053 6.996 1.00 0.41 H new ATOM 0 HA VAL A 17 3.518 -3.510 8.954 1.00 0.41 H new ATOM 0 HB VAL A 17 2.361 -5.393 9.697 1.00 0.43 H new ATOM 0 HG11 VAL A 17 -0.068 -4.903 9.916 1.00 0.51 H new ATOM 0 HG12 VAL A 17 0.918 -3.450 10.207 1.00 0.51 H new ATOM 0 HG13 VAL A 17 0.076 -3.657 8.653 1.00 0.51 H new ATOM 0 HG21 VAL A 17 0.693 -6.647 8.335 1.00 0.49 H new ATOM 0 HG22 VAL A 17 0.853 -5.439 7.038 1.00 0.49 H new ATOM 0 HG23 VAL A 17 2.238 -6.470 7.469 1.00 0.49 H new ATOM 227 N ALA A 18 4.749 -5.005 7.357 1.00 0.39 N ATOM 228 CA ALA A 18 5.543 -5.667 6.287 1.00 0.40 C ATOM 229 C ALA A 18 6.062 -7.010 6.802 1.00 0.44 C ATOM 230 O ALA A 18 6.306 -7.180 7.980 1.00 0.57 O ATOM 231 CB ALA A 18 6.689 -4.708 5.977 1.00 0.45 C ATOM 0 H ALA A 18 5.199 -4.965 8.272 1.00 0.39 H new ATOM 0 HA ALA A 18 4.958 -5.872 5.391 1.00 0.40 H new ATOM 0 HB1 ALA A 18 7.317 -5.133 5.194 1.00 0.45 H new ATOM 0 HB2 ALA A 18 6.284 -3.754 5.639 1.00 0.45 H new ATOM 0 HB3 ALA A 18 7.285 -4.551 6.876 1.00 0.45 H new ATOM 237 N TYR A 19 6.205 -7.973 5.937 1.00 0.51 N ATOM 238 CA TYR A 19 6.676 -9.311 6.390 1.00 0.58 C ATOM 239 C TYR A 19 7.620 -9.934 5.357 1.00 0.66 C ATOM 240 O TYR A 19 7.683 -9.509 4.220 1.00 0.65 O ATOM 241 CB TYR A 19 5.392 -10.131 6.497 1.00 0.59 C ATOM 242 CG TYR A 19 4.606 -9.978 5.215 1.00 0.54 C ATOM 243 CD1 TYR A 19 4.967 -10.722 4.087 1.00 1.24 C ATOM 244 CD2 TYR A 19 3.524 -9.088 5.149 1.00 1.32 C ATOM 245 CE1 TYR A 19 4.251 -10.582 2.893 1.00 1.26 C ATOM 246 CE2 TYR A 19 2.808 -8.949 3.953 1.00 1.30 C ATOM 247 CZ TYR A 19 3.171 -9.695 2.826 1.00 0.53 C ATOM 248 OH TYR A 19 2.465 -9.557 1.649 1.00 0.58 O ATOM 0 H TYR A 19 6.017 -7.893 4.938 1.00 0.51 H new ATOM 0 HA TYR A 19 7.233 -9.265 7.326 1.00 0.58 H new ATOM 0 HB2 TYR A 19 5.628 -11.181 6.671 1.00 0.59 H new ATOM 0 HB3 TYR A 19 4.798 -9.793 7.346 1.00 0.59 H new ATOM 0 HD1 TYR A 19 5.801 -11.407 4.138 1.00 1.24 H new ATOM 0 HD2 TYR A 19 3.244 -8.511 6.018 1.00 1.32 H new ATOM 0 HE1 TYR A 19 4.532 -11.158 2.024 1.00 1.26 H new ATOM 0 HE2 TYR A 19 1.974 -8.265 3.901 1.00 1.30 H new ATOM 0 HH TYR A 19 1.746 -8.902 1.773 1.00 0.58 H new ATOM 258 N GLY A 20 8.345 -10.950 5.744 1.00 0.87 N ATOM 259 CA GLY A 20 9.277 -11.614 4.788 1.00 1.00 C ATOM 260 C GLY A 20 10.567 -10.801 4.664 1.00 1.05 C ATOM 261 O GLY A 20 11.171 -10.739 3.612 1.00 1.80 O ATOM 0 H GLY A 20 8.331 -11.349 6.683 1.00 0.87 H new ATOM 0 HA2 GLY A 20 9.505 -12.623 5.131 1.00 1.00 H new ATOM 0 HA3 GLY A 20 8.802 -11.709 3.811 1.00 1.00 H new ATOM 265 N THR A 21 10.998 -10.178 5.727 1.00 0.96 N ATOM 266 CA THR A 21 12.252 -9.373 5.656 1.00 1.41 C ATOM 267 C THR A 21 12.980 -9.398 7.000 1.00 0.97 C ATOM 268 O THR A 21 12.803 -10.296 7.800 1.00 1.55 O ATOM 269 CB THR A 21 11.798 -7.951 5.326 1.00 2.34 C ATOM 270 OG1 THR A 21 11.265 -7.341 6.494 1.00 2.53 O ATOM 271 CG2 THR A 21 10.728 -7.996 4.236 1.00 2.97 C ATOM 0 H THR A 21 10.539 -10.191 6.638 1.00 0.96 H new ATOM 0 HA THR A 21 12.945 -9.765 4.911 1.00 1.41 H new ATOM 0 HB THR A 21 12.650 -7.371 4.971 1.00 2.34 H new ATOM 0 HG1 THR A 21 10.975 -6.429 6.283 1.00 2.53 H new ATOM 0 HG21 THR A 21 10.405 -6.982 4.001 1.00 2.97 H new ATOM 0 HG22 THR A 21 11.140 -8.462 3.341 1.00 2.97 H new ATOM 0 HG23 THR A 21 9.875 -8.576 4.587 1.00 2.97 H new ATOM 279 N ASP A 22 13.798 -8.414 7.254 1.00 0.94 N ATOM 280 CA ASP A 22 14.538 -8.373 8.546 1.00 1.41 C ATOM 281 C ASP A 22 13.723 -7.609 9.591 1.00 1.44 C ATOM 282 O ASP A 22 13.420 -6.444 9.426 1.00 2.05 O ATOM 283 CB ASP A 22 15.839 -7.634 8.234 1.00 2.15 C ATOM 284 CG ASP A 22 16.919 -8.069 9.225 1.00 3.29 C ATOM 285 OD1 ASP A 22 17.112 -9.265 9.373 1.00 3.88 O ATOM 286 OD2 ASP A 22 17.534 -7.200 9.820 1.00 3.93 O ATOM 0 H ASP A 22 13.986 -7.636 6.622 1.00 0.94 H new ATOM 0 HA ASP A 22 14.724 -9.368 8.950 1.00 1.41 H new ATOM 0 HB2 ASP A 22 16.157 -7.850 7.214 1.00 2.15 H new ATOM 0 HB3 ASP A 22 15.683 -6.557 8.298 1.00 2.15 H new ATOM 291 N GLY A 23 13.364 -8.255 10.665 1.00 1.39 N ATOM 292 CA GLY A 23 12.567 -7.563 11.716 1.00 1.66 C ATOM 293 C GLY A 23 11.411 -6.805 11.060 1.00 1.28 C ATOM 294 O GLY A 23 11.145 -6.972 9.887 1.00 1.42 O ATOM 0 H GLY A 23 13.588 -9.231 10.860 1.00 1.39 H new ATOM 0 HA2 GLY A 23 12.181 -8.289 12.432 1.00 1.66 H new ATOM 0 HA3 GLY A 23 13.200 -6.872 12.272 1.00 1.66 H new ATOM 298 N PRO A 24 10.762 -5.992 11.847 1.00 1.30 N ATOM 299 CA PRO A 24 9.619 -5.193 11.343 1.00 1.37 C ATOM 300 C PRO A 24 10.121 -4.041 10.466 1.00 1.18 C ATOM 301 O PRO A 24 11.220 -4.077 9.948 1.00 1.43 O ATOM 302 CB PRO A 24 8.967 -4.663 12.618 1.00 1.90 C ATOM 303 CG PRO A 24 10.060 -4.652 13.640 1.00 2.06 C ATOM 304 CD PRO A 24 11.030 -5.744 13.268 1.00 1.76 C ATOM 0 HA PRO A 24 8.930 -5.768 10.724 1.00 1.37 H new ATOM 0 HB2 PRO A 24 8.559 -3.664 12.466 1.00 1.90 H new ATOM 0 HB3 PRO A 24 8.140 -5.300 12.932 1.00 1.90 H new ATOM 0 HG2 PRO A 24 10.560 -3.683 13.658 1.00 2.06 H new ATOM 0 HG3 PRO A 24 9.655 -4.821 14.638 1.00 2.06 H new ATOM 0 HD2 PRO A 24 12.062 -5.433 13.431 1.00 1.76 H new ATOM 0 HD3 PRO A 24 10.869 -6.641 13.866 1.00 1.76 H new ATOM 312 N LEU A 25 9.328 -3.017 10.300 1.00 1.01 N ATOM 313 CA LEU A 25 9.767 -1.862 9.462 1.00 0.91 C ATOM 314 C LEU A 25 10.210 -0.706 10.364 1.00 0.92 C ATOM 315 O LEU A 25 9.849 -0.638 11.522 1.00 1.22 O ATOM 316 CB LEU A 25 8.542 -1.469 8.631 1.00 0.96 C ATOM 317 CG LEU A 25 7.311 -1.361 9.533 1.00 0.59 C ATOM 318 CD1 LEU A 25 6.425 -0.214 9.047 1.00 0.91 C ATOM 319 CD2 LEU A 25 6.521 -2.671 9.474 1.00 1.32 C ATOM 0 H LEU A 25 8.397 -2.929 10.707 1.00 1.01 H new ATOM 0 HA LEU A 25 10.614 -2.112 8.823 1.00 0.91 H new ATOM 0 HB2 LEU A 25 8.721 -0.517 8.131 1.00 0.96 H new ATOM 0 HB3 LEU A 25 8.368 -2.211 7.851 1.00 0.96 H new ATOM 0 HG LEU A 25 7.627 -1.170 10.559 1.00 0.59 H new ATOM 0 HD11 LEU A 25 5.547 -0.135 9.688 1.00 0.91 H new ATOM 0 HD12 LEU A 25 6.986 0.720 9.084 1.00 0.91 H new ATOM 0 HD13 LEU A 25 6.109 -0.407 8.022 1.00 0.91 H new ATOM 0 HD21 LEU A 25 5.643 -2.596 10.116 1.00 1.32 H new ATOM 0 HD22 LEU A 25 6.205 -2.859 8.448 1.00 1.32 H new ATOM 0 HD23 LEU A 25 7.152 -3.492 9.816 1.00 1.32 H new ATOM 331 N ASP A 26 10.997 0.199 9.849 1.00 0.77 N ATOM 332 CA ASP A 26 11.468 1.338 10.688 1.00 0.93 C ATOM 333 C ASP A 26 11.020 2.672 10.091 1.00 0.82 C ATOM 334 O ASP A 26 11.036 2.868 8.892 1.00 0.91 O ATOM 335 CB ASP A 26 12.993 1.233 10.673 1.00 1.18 C ATOM 336 CG ASP A 26 13.539 1.494 12.078 1.00 1.62 C ATOM 337 OD1 ASP A 26 12.809 1.263 13.028 1.00 1.84 O ATOM 338 OD2 ASP A 26 14.677 1.921 12.180 1.00 2.45 O ATOM 0 H ASP A 26 11.334 0.199 8.886 1.00 0.77 H new ATOM 0 HA ASP A 26 11.060 1.296 11.698 1.00 0.93 H new ATOM 0 HB2 ASP A 26 13.296 0.243 10.332 1.00 1.18 H new ATOM 0 HB3 ASP A 26 13.410 1.954 9.970 1.00 1.18 H new ATOM 343 N THR A 27 10.624 3.593 10.925 1.00 0.76 N ATOM 344 CA THR A 27 10.178 4.920 10.424 1.00 0.79 C ATOM 345 C THR A 27 10.993 6.026 11.100 1.00 0.94 C ATOM 346 O THR A 27 11.975 6.502 10.565 1.00 1.35 O ATOM 347 CB THR A 27 8.707 5.013 10.830 1.00 0.82 C ATOM 348 OG1 THR A 27 8.517 4.338 12.066 1.00 0.89 O ATOM 349 CG2 THR A 27 7.835 4.365 9.753 1.00 0.82 C ATOM 0 H THR A 27 10.591 3.481 11.938 1.00 0.76 H new ATOM 0 HA THR A 27 10.312 5.033 9.348 1.00 0.79 H new ATOM 0 HB THR A 27 8.425 6.060 10.939 1.00 0.82 H new ATOM 0 HG1 THR A 27 7.575 4.397 12.330 1.00 0.89 H new ATOM 0 HG21 THR A 27 6.787 4.432 10.044 1.00 0.82 H new ATOM 0 HG22 THR A 27 7.982 4.883 8.805 1.00 0.82 H new ATOM 0 HG23 THR A 27 8.114 3.317 9.641 1.00 0.82 H new ATOM 357 N SER A 28 10.593 6.424 12.280 1.00 0.86 N ATOM 358 CA SER A 28 11.333 7.492 13.022 1.00 1.02 C ATOM 359 C SER A 28 11.888 8.549 12.061 1.00 1.13 C ATOM 360 O SER A 28 13.067 8.843 12.067 1.00 1.52 O ATOM 361 CB SER A 28 12.475 6.761 13.726 1.00 1.49 C ATOM 362 OG SER A 28 12.464 7.096 15.108 1.00 2.06 O ATOM 0 H SER A 28 9.778 6.052 12.767 1.00 0.86 H new ATOM 0 HA SER A 28 10.685 8.022 13.720 1.00 1.02 H new ATOM 0 HB2 SER A 28 12.365 5.684 13.600 1.00 1.49 H new ATOM 0 HB3 SER A 28 13.430 7.039 13.280 1.00 1.49 H new ATOM 0 HG SER A 28 13.194 6.628 15.564 1.00 2.06 H new ATOM 368 N THR A 29 11.053 9.123 11.238 1.00 1.60 N ATOM 369 CA THR A 29 11.545 10.160 10.284 1.00 2.15 C ATOM 370 C THR A 29 10.381 10.725 9.466 1.00 1.71 C ATOM 371 O THR A 29 10.360 11.890 9.122 1.00 2.01 O ATOM 372 CB THR A 29 12.530 9.424 9.375 1.00 2.83 C ATOM 373 OG1 THR A 29 13.220 10.366 8.566 1.00 2.98 O ATOM 374 CG2 THR A 29 11.768 8.442 8.484 1.00 3.15 C ATOM 0 H THR A 29 10.055 8.920 11.184 1.00 1.60 H new ATOM 0 HA THR A 29 12.011 11.003 10.795 1.00 2.15 H new ATOM 0 HB THR A 29 13.248 8.875 9.984 1.00 2.83 H new ATOM 0 HG1 THR A 29 13.853 9.896 7.984 1.00 2.98 H new ATOM 0 HG21 THR A 29 12.471 7.918 7.836 1.00 3.15 H new ATOM 0 HG22 THR A 29 11.240 7.720 9.107 1.00 3.15 H new ATOM 0 HG23 THR A 29 11.049 8.988 7.873 1.00 3.15 H new ATOM 382 N GLY A 30 9.412 9.909 9.153 1.00 1.31 N ATOM 383 CA GLY A 30 8.252 10.402 8.358 1.00 1.30 C ATOM 384 C GLY A 30 8.111 9.570 7.081 1.00 1.00 C ATOM 385 O GLY A 30 7.442 9.962 6.146 1.00 1.08 O ATOM 0 H GLY A 30 9.373 8.923 9.413 1.00 1.31 H new ATOM 0 HA2 GLY A 30 7.339 10.336 8.950 1.00 1.30 H new ATOM 0 HA3 GLY A 30 8.392 11.453 8.105 1.00 1.30 H new ATOM 389 N ALA A 31 8.735 8.424 7.031 1.00 0.82 N ATOM 390 CA ALA A 31 8.631 7.573 5.811 1.00 0.61 C ATOM 391 C ALA A 31 8.744 6.093 6.183 1.00 0.54 C ATOM 392 O ALA A 31 9.618 5.693 6.926 1.00 0.64 O ATOM 393 CB ALA A 31 9.807 7.995 4.928 1.00 0.68 C ATOM 0 H ALA A 31 9.311 8.041 7.781 1.00 0.82 H new ATOM 0 HA ALA A 31 7.675 7.699 5.303 1.00 0.61 H new ATOM 0 HB1 ALA A 31 9.799 7.411 4.008 1.00 0.68 H new ATOM 0 HB2 ALA A 31 9.719 9.054 4.687 1.00 0.68 H new ATOM 0 HB3 ALA A 31 10.742 7.821 5.460 1.00 0.68 H new ATOM 399 N LEU A 32 7.866 5.275 5.668 1.00 0.56 N ATOM 400 CA LEU A 32 7.923 3.820 5.987 1.00 0.50 C ATOM 401 C LEU A 32 9.031 3.150 5.172 1.00 0.43 C ATOM 402 O LEU A 32 8.865 2.857 4.006 1.00 0.44 O ATOM 403 CB LEU A 32 6.556 3.272 5.582 1.00 0.50 C ATOM 404 CG LEU A 32 6.385 1.863 6.149 1.00 0.49 C ATOM 405 CD1 LEU A 32 5.412 1.903 7.327 1.00 0.51 C ATOM 406 CD2 LEU A 32 5.830 0.942 5.061 1.00 0.53 C ATOM 0 H LEU A 32 7.112 5.552 5.040 1.00 0.56 H new ATOM 0 HA LEU A 32 8.140 3.634 7.039 1.00 0.50 H new ATOM 0 HB2 LEU A 32 5.766 3.924 5.954 1.00 0.50 H new ATOM 0 HB3 LEU A 32 6.467 3.252 4.496 1.00 0.50 H new ATOM 0 HG LEU A 32 7.350 1.487 6.488 1.00 0.49 H new ATOM 0 HD11 LEU A 32 5.289 0.898 7.732 1.00 0.51 H new ATOM 0 HD12 LEU A 32 5.805 2.561 8.102 1.00 0.51 H new ATOM 0 HD13 LEU A 32 4.446 2.278 6.989 1.00 0.51 H new ATOM 0 HD21 LEU A 32 5.707 -0.064 5.463 1.00 0.53 H new ATOM 0 HD22 LEU A 32 4.864 1.318 4.724 1.00 0.53 H new ATOM 0 HD23 LEU A 32 6.523 0.914 4.220 1.00 0.53 H new ATOM 418 N CYS A 33 10.162 2.911 5.776 1.00 0.47 N ATOM 419 CA CYS A 33 11.281 2.268 5.030 1.00 0.47 C ATOM 420 C CYS A 33 11.465 0.816 5.480 1.00 0.42 C ATOM 421 O CYS A 33 11.946 0.547 6.563 1.00 0.46 O ATOM 422 CB CYS A 33 12.516 3.099 5.378 1.00 0.64 C ATOM 423 SG CYS A 33 12.499 4.634 4.418 1.00 0.93 S ATOM 0 H CYS A 33 10.360 3.132 6.752 1.00 0.47 H new ATOM 0 HA CYS A 33 11.095 2.240 3.956 1.00 0.47 H new ATOM 0 HB2 CYS A 33 12.527 3.324 6.444 1.00 0.64 H new ATOM 0 HB3 CYS A 33 13.422 2.532 5.162 1.00 0.64 H new ATOM 428 N VAL A 34 11.091 -0.122 4.653 1.00 0.41 N ATOM 429 CA VAL A 34 11.252 -1.556 5.029 1.00 0.43 C ATOM 430 C VAL A 34 12.513 -2.128 4.379 1.00 0.45 C ATOM 431 O VAL A 34 12.897 -1.733 3.296 1.00 0.45 O ATOM 432 CB VAL A 34 10.003 -2.253 4.490 1.00 0.42 C ATOM 433 CG1 VAL A 34 8.773 -1.741 5.241 1.00 0.45 C ATOM 434 CG2 VAL A 34 9.853 -1.948 2.997 1.00 0.39 C ATOM 0 H VAL A 34 10.681 0.042 3.734 1.00 0.41 H new ATOM 0 HA VAL A 34 11.357 -1.694 6.105 1.00 0.43 H new ATOM 0 HB VAL A 34 10.096 -3.330 4.633 1.00 0.42 H new ATOM 0 HG11 VAL A 34 7.881 -2.237 4.858 1.00 0.45 H new ATOM 0 HG12 VAL A 34 8.880 -1.956 6.304 1.00 0.45 H new ATOM 0 HG13 VAL A 34 8.680 -0.665 5.096 1.00 0.45 H new ATOM 0 HG21 VAL A 34 8.962 -2.445 2.612 1.00 0.39 H new ATOM 0 HG22 VAL A 34 9.759 -0.872 2.853 1.00 0.39 H new ATOM 0 HG23 VAL A 34 10.731 -2.310 2.462 1.00 0.39 H new ATOM 444 N ALA A 35 13.166 -3.048 5.034 1.00 0.55 N ATOM 445 CA ALA A 35 14.409 -3.636 4.456 1.00 0.59 C ATOM 446 C ALA A 35 14.081 -4.863 3.603 1.00 0.55 C ATOM 447 O ALA A 35 13.905 -5.952 4.108 1.00 0.76 O ATOM 448 CB ALA A 35 15.256 -4.037 5.664 1.00 0.73 C ATOM 0 H ALA A 35 12.893 -3.418 5.944 1.00 0.55 H new ATOM 0 HA ALA A 35 14.927 -2.932 3.805 1.00 0.59 H new ATOM 0 HB1 ALA A 35 16.191 -4.480 5.322 1.00 0.73 H new ATOM 0 HB2 ALA A 35 15.471 -3.155 6.267 1.00 0.73 H new ATOM 0 HB3 ALA A 35 14.710 -4.763 6.266 1.00 0.73 H new ATOM 454 N VAL A 36 14.008 -4.695 2.312 1.00 0.47 N ATOM 455 CA VAL A 36 13.703 -5.855 1.427 1.00 0.45 C ATOM 456 C VAL A 36 14.983 -6.659 1.164 1.00 0.47 C ATOM 457 O VAL A 36 16.019 -6.097 0.866 1.00 0.47 O ATOM 458 CB VAL A 36 13.174 -5.235 0.134 1.00 0.39 C ATOM 459 CG1 VAL A 36 12.999 -6.325 -0.920 1.00 0.44 C ATOM 460 CG2 VAL A 36 11.819 -4.574 0.398 1.00 0.40 C ATOM 0 H VAL A 36 14.146 -3.806 1.831 1.00 0.47 H new ATOM 0 HA VAL A 36 12.981 -6.542 1.868 1.00 0.45 H new ATOM 0 HB VAL A 36 13.884 -4.488 -0.222 1.00 0.39 H new ATOM 0 HG11 VAL A 36 12.622 -5.882 -1.842 1.00 0.44 H new ATOM 0 HG12 VAL A 36 13.960 -6.802 -1.113 1.00 0.44 H new ATOM 0 HG13 VAL A 36 12.290 -7.070 -0.559 1.00 0.44 H new ATOM 0 HG21 VAL A 36 11.444 -4.133 -0.525 1.00 0.40 H new ATOM 0 HG22 VAL A 36 11.112 -5.323 0.756 1.00 0.40 H new ATOM 0 HG23 VAL A 36 11.935 -3.795 1.152 1.00 0.40 H new ATOM 470 N PRO A 37 14.867 -7.955 1.296 1.00 0.54 N ATOM 471 CA PRO A 37 16.031 -8.858 1.087 1.00 0.61 C ATOM 472 C PRO A 37 16.478 -8.874 -0.381 1.00 0.59 C ATOM 473 O PRO A 37 15.828 -8.324 -1.248 1.00 0.70 O ATOM 474 CB PRO A 37 15.506 -10.224 1.527 1.00 0.78 C ATOM 475 CG PRO A 37 14.022 -10.131 1.377 1.00 0.79 C ATOM 476 CD PRO A 37 13.651 -8.697 1.645 1.00 0.62 C ATOM 0 HA PRO A 37 16.913 -8.544 1.645 1.00 0.61 H new ATOM 0 HB2 PRO A 37 15.916 -11.023 0.909 1.00 0.78 H new ATOM 0 HB3 PRO A 37 15.786 -10.442 2.558 1.00 0.78 H new ATOM 0 HG2 PRO A 37 13.715 -10.430 0.375 1.00 0.79 H new ATOM 0 HG3 PRO A 37 13.519 -10.798 2.077 1.00 0.79 H new ATOM 0 HD2 PRO A 37 12.802 -8.383 1.039 1.00 0.62 H new ATOM 0 HD3 PRO A 37 13.373 -8.543 2.688 1.00 0.62 H new ATOM 484 N ALA A 38 17.599 -9.490 -0.654 1.00 0.70 N ATOM 485 CA ALA A 38 18.121 -9.536 -2.055 1.00 0.69 C ATOM 486 C ALA A 38 17.101 -10.164 -3.010 1.00 0.86 C ATOM 487 O ALA A 38 16.657 -11.280 -2.823 1.00 1.10 O ATOM 488 CB ALA A 38 19.382 -10.398 -1.980 1.00 0.88 C ATOM 0 H ALA A 38 18.179 -9.966 0.037 1.00 0.70 H new ATOM 0 HA ALA A 38 18.323 -8.536 -2.439 1.00 0.69 H new ATOM 0 HB1 ALA A 38 19.826 -10.480 -2.972 1.00 0.88 H new ATOM 0 HB2 ALA A 38 20.098 -9.937 -1.299 1.00 0.88 H new ATOM 0 HB3 ALA A 38 19.122 -11.392 -1.615 1.00 0.88 H new ATOM 494 N GLY A 39 16.736 -9.448 -4.040 1.00 1.01 N ATOM 495 CA GLY A 39 15.754 -9.976 -5.033 1.00 1.34 C ATOM 496 C GLY A 39 14.622 -10.732 -4.331 1.00 1.13 C ATOM 497 O GLY A 39 13.995 -11.581 -4.931 1.00 1.68 O ATOM 0 H GLY A 39 17.080 -8.509 -4.238 1.00 1.01 H new ATOM 0 HA2 GLY A 39 15.341 -9.152 -5.615 1.00 1.34 H new ATOM 0 HA3 GLY A 39 16.260 -10.640 -5.734 1.00 1.34 H new ATOM 501 N SER A 40 14.355 -10.428 -3.074 1.00 0.74 N ATOM 502 CA SER A 40 13.260 -11.133 -2.321 1.00 0.61 C ATOM 503 C SER A 40 13.009 -12.520 -2.913 1.00 0.75 C ATOM 504 O SER A 40 11.917 -12.850 -3.331 1.00 1.04 O ATOM 505 CB SER A 40 12.023 -10.246 -2.469 1.00 0.91 C ATOM 506 OG SER A 40 10.899 -10.909 -1.910 1.00 1.79 O ATOM 0 H SER A 40 14.853 -9.718 -2.537 1.00 0.74 H new ATOM 0 HA SER A 40 13.521 -11.283 -1.273 1.00 0.61 H new ATOM 0 HB2 SER A 40 12.184 -9.292 -1.967 1.00 0.91 H new ATOM 0 HB3 SER A 40 11.843 -10.026 -3.521 1.00 0.91 H new ATOM 0 HG SER A 40 10.166 -10.269 -1.793 1.00 1.79 H new ATOM 512 N ALA A 41 14.027 -13.324 -2.968 1.00 1.01 N ATOM 513 CA ALA A 41 13.871 -14.687 -3.550 1.00 1.45 C ATOM 514 C ALA A 41 13.472 -15.679 -2.468 1.00 1.45 C ATOM 515 O ALA A 41 14.295 -16.182 -1.731 1.00 2.22 O ATOM 516 CB ALA A 41 15.236 -15.045 -4.116 1.00 1.95 C ATOM 0 H ALA A 41 14.965 -13.099 -2.635 1.00 1.01 H new ATOM 0 HA ALA A 41 13.095 -14.715 -4.315 1.00 1.45 H new ATOM 0 HB1 ALA A 41 15.196 -16.039 -4.562 1.00 1.95 H new ATOM 0 HB2 ALA A 41 15.517 -14.317 -4.877 1.00 1.95 H new ATOM 0 HB3 ALA A 41 15.976 -15.036 -3.315 1.00 1.95 H new ATOM 522 N GLN A 42 12.210 -15.953 -2.381 1.00 1.21 N ATOM 523 CA GLN A 42 11.707 -16.911 -1.351 1.00 1.31 C ATOM 524 C GLN A 42 10.177 -16.886 -1.325 1.00 1.40 C ATOM 525 O GLN A 42 9.540 -16.488 -2.280 1.00 2.28 O ATOM 526 CB GLN A 42 12.269 -16.406 -0.017 1.00 1.67 C ATOM 527 CG GLN A 42 12.020 -14.900 0.115 1.00 1.90 C ATOM 528 CD GLN A 42 13.277 -14.223 0.660 1.00 2.28 C ATOM 529 OE1 GLN A 42 13.817 -13.328 0.041 1.00 2.69 O ATOM 530 NE2 GLN A 42 13.770 -14.615 1.802 1.00 2.73 N ATOM 0 H GLN A 42 11.490 -15.554 -2.983 1.00 1.21 H new ATOM 0 HA GLN A 42 12.015 -17.936 -1.556 1.00 1.31 H new ATOM 0 HB2 GLN A 42 11.797 -16.936 0.811 1.00 1.67 H new ATOM 0 HB3 GLN A 42 13.338 -16.613 0.040 1.00 1.67 H new ATOM 0 HG2 GLN A 42 11.758 -14.477 -0.855 1.00 1.90 H new ATOM 0 HG3 GLN A 42 11.177 -14.717 0.781 1.00 1.90 H new ATOM 0 HE21 GLN A 42 13.317 -15.366 2.322 1.00 2.73 H new ATOM 0 HE22 GLN A 42 14.609 -14.170 2.175 1.00 2.73 H new ATOM 539 N TYR A 43 9.584 -17.298 -0.238 1.00 1.28 N ATOM 540 CA TYR A 43 8.096 -17.286 -0.150 1.00 1.68 C ATOM 541 C TYR A 43 7.545 -15.986 -0.748 1.00 1.38 C ATOM 542 O TYR A 43 6.431 -15.937 -1.230 1.00 1.97 O ATOM 543 CB TYR A 43 7.780 -17.372 1.345 1.00 2.23 C ATOM 544 CG TYR A 43 8.723 -16.479 2.117 1.00 1.94 C ATOM 545 CD1 TYR A 43 8.532 -15.095 2.115 1.00 2.19 C ATOM 546 CD2 TYR A 43 9.789 -17.039 2.830 1.00 2.33 C ATOM 547 CE1 TYR A 43 9.406 -14.266 2.827 1.00 2.41 C ATOM 548 CE2 TYR A 43 10.664 -16.211 3.544 1.00 2.49 C ATOM 549 CZ TYR A 43 10.472 -14.824 3.542 1.00 2.37 C ATOM 550 OH TYR A 43 11.334 -14.008 4.245 1.00 2.91 O ATOM 0 H TYR A 43 10.065 -17.642 0.593 1.00 1.28 H new ATOM 0 HA TYR A 43 7.642 -18.108 -0.704 1.00 1.68 H new ATOM 0 HB2 TYR A 43 6.748 -17.071 1.526 1.00 2.23 H new ATOM 0 HB3 TYR A 43 7.876 -18.402 1.688 1.00 2.23 H new ATOM 0 HD1 TYR A 43 7.709 -14.665 1.564 1.00 2.19 H new ATOM 0 HD2 TYR A 43 9.937 -18.109 2.830 1.00 2.33 H new ATOM 0 HE1 TYR A 43 9.258 -13.196 2.825 1.00 2.41 H new ATOM 0 HE2 TYR A 43 11.486 -16.642 4.096 1.00 2.49 H new ATOM 0 HH TYR A 43 12.017 -14.556 4.685 1.00 2.91 H new ATOM 560 N GLY A 44 8.322 -14.935 -0.728 1.00 0.83 N ATOM 561 CA GLY A 44 7.847 -13.645 -1.304 1.00 0.72 C ATOM 562 C GLY A 44 7.670 -12.609 -0.192 1.00 0.63 C ATOM 563 O GLY A 44 7.021 -12.858 0.803 1.00 0.74 O ATOM 0 H GLY A 44 9.264 -14.915 -0.338 1.00 0.83 H new ATOM 0 HA2 GLY A 44 8.563 -13.281 -2.041 1.00 0.72 H new ATOM 0 HA3 GLY A 44 6.902 -13.796 -1.825 1.00 0.72 H new ATOM 567 N VAL A 45 8.228 -11.440 -0.358 1.00 0.53 N ATOM 568 CA VAL A 45 8.075 -10.392 0.689 1.00 0.50 C ATOM 569 C VAL A 45 6.816 -9.578 0.390 1.00 0.51 C ATOM 570 O VAL A 45 6.194 -9.755 -0.638 1.00 0.76 O ATOM 571 CB VAL A 45 9.329 -9.517 0.568 1.00 0.47 C ATOM 572 CG1 VAL A 45 9.422 -8.594 1.783 1.00 0.57 C ATOM 573 CG2 VAL A 45 10.588 -10.397 0.500 1.00 0.50 C ATOM 0 H VAL A 45 8.781 -11.167 -1.171 1.00 0.53 H new ATOM 0 HA VAL A 45 7.976 -10.802 1.694 1.00 0.50 H new ATOM 0 HB VAL A 45 9.261 -8.924 -0.344 1.00 0.47 H new ATOM 0 HG11 VAL A 45 10.313 -7.971 1.699 1.00 0.57 H new ATOM 0 HG12 VAL A 45 8.537 -7.959 1.826 1.00 0.57 H new ATOM 0 HG13 VAL A 45 9.483 -9.193 2.691 1.00 0.57 H new ATOM 0 HG21 VAL A 45 11.471 -9.763 0.414 1.00 0.50 H new ATOM 0 HG22 VAL A 45 10.660 -10.999 1.406 1.00 0.50 H new ATOM 0 HG23 VAL A 45 10.527 -11.053 -0.368 1.00 0.50 H new ATOM 583 N GLY A 46 6.421 -8.694 1.266 1.00 0.43 N ATOM 584 CA GLY A 46 5.192 -7.899 0.986 1.00 0.44 C ATOM 585 C GLY A 46 4.848 -6.990 2.170 1.00 0.40 C ATOM 586 O GLY A 46 5.540 -6.949 3.166 1.00 0.67 O ATOM 0 H GLY A 46 6.888 -8.490 2.150 1.00 0.43 H new ATOM 0 HA2 GLY A 46 5.340 -7.296 0.090 1.00 0.44 H new ATOM 0 HA3 GLY A 46 4.358 -8.571 0.783 1.00 0.44 H new ATOM 590 N VAL A 47 3.767 -6.268 2.053 1.00 0.40 N ATOM 591 CA VAL A 47 3.325 -5.354 3.143 1.00 0.35 C ATOM 592 C VAL A 47 1.802 -5.225 3.080 1.00 0.35 C ATOM 593 O VAL A 47 1.241 -4.948 2.039 1.00 0.43 O ATOM 594 CB VAL A 47 4.001 -4.013 2.845 1.00 0.34 C ATOM 595 CG1 VAL A 47 3.750 -3.042 4.000 1.00 0.33 C ATOM 596 CG2 VAL A 47 5.507 -4.226 2.684 1.00 0.38 C ATOM 0 H VAL A 47 3.161 -6.274 1.233 1.00 0.40 H new ATOM 0 HA VAL A 47 3.590 -5.711 4.138 1.00 0.35 H new ATOM 0 HB VAL A 47 3.588 -3.599 1.925 1.00 0.34 H new ATOM 0 HG11 VAL A 47 4.232 -2.088 3.785 1.00 0.33 H new ATOM 0 HG12 VAL A 47 2.678 -2.888 4.119 1.00 0.33 H new ATOM 0 HG13 VAL A 47 4.161 -3.457 4.920 1.00 0.33 H new ATOM 0 HG21 VAL A 47 5.989 -3.272 2.472 1.00 0.38 H new ATOM 0 HG22 VAL A 47 5.916 -4.642 3.605 1.00 0.38 H new ATOM 0 HG23 VAL A 47 5.691 -4.916 1.861 1.00 0.38 H new ATOM 606 N VAL A 48 1.122 -5.445 4.169 1.00 0.36 N ATOM 607 CA VAL A 48 -0.368 -5.352 4.128 1.00 0.37 C ATOM 608 C VAL A 48 -0.890 -4.329 5.139 1.00 0.35 C ATOM 609 O VAL A 48 -0.379 -4.202 6.234 1.00 0.39 O ATOM 610 CB VAL A 48 -0.857 -6.755 4.484 1.00 0.41 C ATOM 611 CG1 VAL A 48 -0.374 -7.747 3.424 1.00 0.47 C ATOM 612 CG2 VAL A 48 -0.298 -7.159 5.850 1.00 0.42 C ATOM 0 H VAL A 48 1.524 -5.682 5.076 1.00 0.36 H new ATOM 0 HA VAL A 48 -0.724 -5.022 3.152 1.00 0.37 H new ATOM 0 HB VAL A 48 -1.946 -6.761 4.520 1.00 0.41 H new ATOM 0 HG11 VAL A 48 -0.722 -8.748 3.677 1.00 0.47 H new ATOM 0 HG12 VAL A 48 -0.770 -7.460 2.450 1.00 0.47 H new ATOM 0 HG13 VAL A 48 0.715 -7.740 3.389 1.00 0.47 H new ATOM 0 HG21 VAL A 48 -0.647 -8.160 6.104 1.00 0.42 H new ATOM 0 HG22 VAL A 48 0.791 -7.153 5.814 1.00 0.42 H new ATOM 0 HG23 VAL A 48 -0.640 -6.453 6.606 1.00 0.42 H new ATOM 622 N LEU A 49 -1.914 -3.603 4.776 1.00 0.34 N ATOM 623 CA LEU A 49 -2.486 -2.590 5.709 1.00 0.35 C ATOM 624 C LEU A 49 -4.013 -2.705 5.737 1.00 0.38 C ATOM 625 O LEU A 49 -4.702 -2.137 4.913 1.00 0.43 O ATOM 626 CB LEU A 49 -2.062 -1.236 5.139 1.00 0.41 C ATOM 627 CG LEU A 49 -2.893 -0.128 5.787 1.00 0.42 C ATOM 628 CD1 LEU A 49 -2.656 -0.131 7.298 1.00 0.62 C ATOM 629 CD2 LEU A 49 -2.474 1.224 5.211 1.00 0.54 C ATOM 0 H LEU A 49 -2.380 -3.669 3.871 1.00 0.34 H new ATOM 0 HA LEU A 49 -2.135 -2.727 6.732 1.00 0.35 H new ATOM 0 HB2 LEU A 49 -1.002 -1.067 5.326 1.00 0.41 H new ATOM 0 HB3 LEU A 49 -2.201 -1.225 4.058 1.00 0.41 H new ATOM 0 HG LEU A 49 -3.950 -0.300 5.584 1.00 0.42 H new ATOM 0 HD11 LEU A 49 -3.248 0.659 7.761 1.00 0.62 H new ATOM 0 HD12 LEU A 49 -2.952 -1.096 7.711 1.00 0.62 H new ATOM 0 HD13 LEU A 49 -1.599 0.042 7.501 1.00 0.62 H new ATOM 0 HD21 LEU A 49 -3.066 2.015 5.672 1.00 0.54 H new ATOM 0 HD22 LEU A 49 -1.417 1.395 5.416 1.00 0.54 H new ATOM 0 HD23 LEU A 49 -2.640 1.228 4.134 1.00 0.54 H new ATOM 641 N ASN A 50 -4.546 -3.438 6.676 1.00 0.45 N ATOM 642 CA ASN A 50 -6.028 -3.592 6.755 1.00 0.55 C ATOM 643 C ASN A 50 -6.663 -2.341 7.369 1.00 0.57 C ATOM 644 O ASN A 50 -6.123 -1.743 8.278 1.00 0.70 O ATOM 645 CB ASN A 50 -6.251 -4.803 7.662 1.00 0.68 C ATOM 646 CG ASN A 50 -5.717 -4.496 9.062 1.00 1.51 C ATOM 647 OD1 ASN A 50 -6.292 -3.708 9.785 1.00 2.33 O ATOM 648 ND2 ASN A 50 -4.632 -5.089 9.477 1.00 2.27 N ATOM 0 H ASN A 50 -4.020 -3.938 7.393 1.00 0.45 H new ATOM 0 HA ASN A 50 -6.480 -3.726 5.772 1.00 0.55 H new ATOM 0 HB2 ASN A 50 -7.313 -5.044 7.711 1.00 0.68 H new ATOM 0 HB3 ASN A 50 -5.745 -5.677 7.251 1.00 0.68 H new ATOM 0 HD21 ASN A 50 -4.267 -4.891 10.409 1.00 2.27 H new ATOM 0 HD22 ASN A 50 -4.149 -5.751 8.870 1.00 2.27 H new ATOM 655 N GLY A 51 -7.808 -1.943 6.883 1.00 0.59 N ATOM 656 CA GLY A 51 -8.474 -0.735 7.446 1.00 0.64 C ATOM 657 C GLY A 51 -8.821 0.240 6.319 1.00 0.61 C ATOM 658 O GLY A 51 -8.364 1.366 6.300 1.00 0.72 O ATOM 0 H GLY A 51 -8.309 -2.401 6.122 1.00 0.59 H new ATOM 0 HA2 GLY A 51 -9.379 -1.024 7.981 1.00 0.64 H new ATOM 0 HA3 GLY A 51 -7.818 -0.251 8.169 1.00 0.64 H new ATOM 662 N VAL A 52 -9.628 -0.178 5.382 1.00 0.54 N ATOM 663 CA VAL A 52 -10.003 0.736 4.264 1.00 0.54 C ATOM 664 C VAL A 52 -11.520 0.942 4.239 1.00 0.59 C ATOM 665 O VAL A 52 -12.263 0.215 4.868 1.00 0.70 O ATOM 666 CB VAL A 52 -9.531 0.027 2.995 1.00 0.49 C ATOM 667 CG1 VAL A 52 -9.756 0.939 1.789 1.00 0.57 C ATOM 668 CG2 VAL A 52 -8.041 -0.292 3.118 1.00 0.59 C ATOM 0 H VAL A 52 -10.043 -1.109 5.342 1.00 0.54 H new ATOM 0 HA VAL A 52 -9.552 1.723 4.366 1.00 0.54 H new ATOM 0 HB VAL A 52 -10.094 -0.897 2.863 1.00 0.49 H new ATOM 0 HG11 VAL A 52 -9.420 0.434 0.883 1.00 0.57 H new ATOM 0 HG12 VAL A 52 -10.817 1.172 1.702 1.00 0.57 H new ATOM 0 HG13 VAL A 52 -9.192 1.862 1.921 1.00 0.57 H new ATOM 0 HG21 VAL A 52 -7.701 -0.798 2.214 1.00 0.59 H new ATOM 0 HG22 VAL A 52 -7.480 0.634 3.248 1.00 0.59 H new ATOM 0 HG23 VAL A 52 -7.877 -0.940 3.979 1.00 0.59 H new ATOM 678 N ALA A 53 -11.987 1.931 3.524 1.00 0.62 N ATOM 679 CA ALA A 53 -13.458 2.178 3.475 1.00 0.71 C ATOM 680 C ALA A 53 -13.939 2.323 2.027 1.00 0.62 C ATOM 681 O ALA A 53 -14.168 3.415 1.546 1.00 0.76 O ATOM 682 CB ALA A 53 -13.663 3.487 4.238 1.00 0.92 C ATOM 0 H ALA A 53 -11.418 2.575 2.975 1.00 0.62 H new ATOM 0 HA ALA A 53 -14.023 1.353 3.909 1.00 0.71 H new ATOM 0 HB1 ALA A 53 -14.723 3.740 4.248 1.00 0.92 H new ATOM 0 HB2 ALA A 53 -13.308 3.371 5.262 1.00 0.92 H new ATOM 0 HB3 ALA A 53 -13.104 4.285 3.749 1.00 0.92 H new ATOM 688 N ILE A 54 -14.111 1.230 1.335 1.00 0.52 N ATOM 689 CA ILE A 54 -14.596 1.305 -0.074 1.00 0.49 C ATOM 690 C ILE A 54 -16.025 0.761 -0.152 1.00 0.54 C ATOM 691 O ILE A 54 -16.476 0.058 0.730 1.00 0.77 O ATOM 692 CB ILE A 54 -13.638 0.427 -0.881 1.00 0.45 C ATOM 693 CG1 ILE A 54 -12.198 0.887 -0.640 1.00 0.48 C ATOM 694 CG2 ILE A 54 -13.965 0.548 -2.370 1.00 0.49 C ATOM 695 CD1 ILE A 54 -12.042 2.338 -1.094 1.00 0.55 C ATOM 0 H ILE A 54 -13.937 0.287 1.684 1.00 0.52 H new ATOM 0 HA ILE A 54 -14.615 2.326 -0.455 1.00 0.49 H new ATOM 0 HB ILE A 54 -13.747 -0.611 -0.567 1.00 0.45 H new ATOM 0 HG12 ILE A 54 -11.949 0.797 0.417 1.00 0.48 H new ATOM 0 HG13 ILE A 54 -11.505 0.248 -1.186 1.00 0.48 H new ATOM 0 HG21 ILE A 54 -13.282 -0.078 -2.945 1.00 0.49 H new ATOM 0 HG22 ILE A 54 -14.990 0.222 -2.545 1.00 0.49 H new ATOM 0 HG23 ILE A 54 -13.856 1.586 -2.683 1.00 0.49 H new ATOM 0 HD11 ILE A 54 -11.016 2.665 -0.922 1.00 0.55 H new ATOM 0 HD12 ILE A 54 -12.274 2.414 -2.156 1.00 0.55 H new ATOM 0 HD13 ILE A 54 -12.724 2.972 -0.528 1.00 0.55 H new ATOM 707 N GLU A 55 -16.748 1.080 -1.192 1.00 0.62 N ATOM 708 CA GLU A 55 -18.148 0.575 -1.299 1.00 0.71 C ATOM 709 C GLU A 55 -18.600 0.530 -2.759 1.00 0.77 C ATOM 710 O GLU A 55 -18.435 1.477 -3.502 1.00 1.29 O ATOM 711 CB GLU A 55 -18.990 1.578 -0.509 1.00 0.94 C ATOM 712 CG GLU A 55 -20.208 0.867 0.086 1.00 1.63 C ATOM 713 CD GLU A 55 -20.803 1.723 1.204 1.00 1.95 C ATOM 714 OE1 GLU A 55 -20.481 2.899 1.260 1.00 2.42 O ATOM 715 OE2 GLU A 55 -21.571 1.189 1.988 1.00 2.45 O ATOM 0 H GLU A 55 -16.433 1.664 -1.967 1.00 0.62 H new ATOM 0 HA GLU A 55 -18.245 -0.440 -0.913 1.00 0.71 H new ATOM 0 HB2 GLU A 55 -18.392 2.024 0.286 1.00 0.94 H new ATOM 0 HB3 GLU A 55 -19.312 2.391 -1.160 1.00 0.94 H new ATOM 0 HG2 GLU A 55 -20.954 0.692 -0.689 1.00 1.63 H new ATOM 0 HG3 GLU A 55 -19.918 -0.109 0.476 1.00 1.63 H new ATOM 722 N GLU A 56 -19.180 -0.569 -3.165 1.00 0.62 N ATOM 723 CA GLU A 56 -19.666 -0.703 -4.570 1.00 0.72 C ATOM 724 C GLU A 56 -18.716 -0.008 -5.550 1.00 0.59 C ATOM 725 O GLU A 56 -17.541 0.151 -5.285 1.00 0.51 O ATOM 726 CB GLU A 56 -21.037 -0.031 -4.575 1.00 0.98 C ATOM 727 CG GLU A 56 -20.863 1.484 -4.496 1.00 0.82 C ATOM 728 CD GLU A 56 -22.206 2.167 -4.761 1.00 1.15 C ATOM 729 OE1 GLU A 56 -23.088 1.510 -5.290 1.00 1.65 O ATOM 730 OE2 GLU A 56 -22.329 3.335 -4.432 1.00 1.84 O ATOM 0 H GLU A 56 -19.339 -1.387 -2.577 1.00 0.62 H new ATOM 0 HA GLU A 56 -19.717 -1.745 -4.886 1.00 0.72 H new ATOM 0 HB2 GLU A 56 -21.581 -0.298 -5.481 1.00 0.98 H new ATOM 0 HB3 GLU A 56 -21.630 -0.384 -3.731 1.00 0.98 H new ATOM 0 HG2 GLU A 56 -20.487 1.767 -3.513 1.00 0.82 H new ATOM 0 HG3 GLU A 56 -20.125 1.814 -5.227 1.00 0.82 H new ATOM 737 N GLY A 57 -19.220 0.405 -6.681 1.00 0.61 N ATOM 738 CA GLY A 57 -18.352 1.087 -7.682 1.00 0.57 C ATOM 739 C GLY A 57 -18.263 2.578 -7.357 1.00 0.55 C ATOM 740 O GLY A 57 -18.935 3.395 -7.956 1.00 0.72 O ATOM 0 H GLY A 57 -20.197 0.299 -6.955 1.00 0.61 H new ATOM 0 HA2 GLY A 57 -17.356 0.644 -7.676 1.00 0.57 H new ATOM 0 HA3 GLY A 57 -18.757 0.947 -8.684 1.00 0.57 H new ATOM 744 N THR A 58 -17.435 2.941 -6.417 1.00 0.56 N ATOM 745 CA THR A 58 -17.299 4.381 -6.058 1.00 0.57 C ATOM 746 C THR A 58 -15.943 4.908 -6.542 1.00 0.54 C ATOM 747 O THR A 58 -15.092 4.154 -6.972 1.00 0.53 O ATOM 748 CB THR A 58 -17.396 4.417 -4.526 1.00 0.61 C ATOM 749 OG1 THR A 58 -18.764 4.463 -4.146 1.00 0.78 O ATOM 750 CG2 THR A 58 -16.675 5.652 -3.978 1.00 0.59 C ATOM 0 H THR A 58 -16.846 2.303 -5.882 1.00 0.56 H new ATOM 0 HA THR A 58 -18.062 5.007 -6.519 1.00 0.57 H new ATOM 0 HB THR A 58 -16.925 3.523 -4.118 1.00 0.61 H new ATOM 0 HG1 THR A 58 -19.046 3.579 -3.831 1.00 0.78 H new ATOM 0 HG21 THR A 58 -16.751 5.665 -2.891 1.00 0.59 H new ATOM 0 HG22 THR A 58 -15.625 5.619 -4.268 1.00 0.59 H new ATOM 0 HG23 THR A 58 -17.135 6.552 -4.385 1.00 0.59 H new ATOM 758 N THR A 59 -15.735 6.195 -6.477 1.00 0.57 N ATOM 759 CA THR A 59 -14.435 6.762 -6.937 1.00 0.57 C ATOM 760 C THR A 59 -13.438 6.804 -5.777 1.00 0.53 C ATOM 761 O THR A 59 -13.815 6.827 -4.623 1.00 0.71 O ATOM 762 CB THR A 59 -14.763 8.179 -7.408 1.00 0.64 C ATOM 763 OG1 THR A 59 -16.092 8.215 -7.906 1.00 0.66 O ATOM 764 CG2 THR A 59 -13.790 8.589 -8.515 1.00 0.74 C ATOM 0 H THR A 59 -16.407 6.877 -6.126 1.00 0.57 H new ATOM 0 HA THR A 59 -13.982 6.164 -7.727 1.00 0.57 H new ATOM 0 HB THR A 59 -14.670 8.871 -6.571 1.00 0.64 H new ATOM 0 HG1 THR A 59 -16.304 9.123 -8.207 1.00 0.66 H new ATOM 0 HG21 THR A 59 -14.025 9.599 -8.850 1.00 0.74 H new ATOM 0 HG22 THR A 59 -12.770 8.562 -8.131 1.00 0.74 H new ATOM 0 HG23 THR A 59 -13.881 7.898 -9.353 1.00 0.74 H new ATOM 772 N TYR A 60 -12.167 6.817 -6.076 1.00 0.48 N ATOM 773 CA TYR A 60 -11.146 6.860 -4.991 1.00 0.46 C ATOM 774 C TYR A 60 -9.814 7.374 -5.540 1.00 0.47 C ATOM 775 O TYR A 60 -9.481 7.163 -6.689 1.00 0.73 O ATOM 776 CB TYR A 60 -11.008 5.413 -4.517 1.00 0.45 C ATOM 777 CG TYR A 60 -12.224 5.033 -3.708 1.00 0.46 C ATOM 778 CD1 TYR A 60 -12.357 5.484 -2.389 1.00 1.35 C ATOM 779 CD2 TYR A 60 -13.220 4.234 -4.277 1.00 1.22 C ATOM 780 CE1 TYR A 60 -13.486 5.134 -1.640 1.00 1.38 C ATOM 781 CE2 TYR A 60 -14.350 3.884 -3.529 1.00 1.22 C ATOM 782 CZ TYR A 60 -14.484 4.334 -2.210 1.00 0.51 C ATOM 783 OH TYR A 60 -15.598 3.990 -1.473 1.00 0.56 O ATOM 0 H TYR A 60 -11.792 6.800 -7.024 1.00 0.48 H new ATOM 0 HA TYR A 60 -11.434 7.528 -4.179 1.00 0.46 H new ATOM 0 HB2 TYR A 60 -10.904 4.746 -5.373 1.00 0.45 H new ATOM 0 HB3 TYR A 60 -10.107 5.300 -3.914 1.00 0.45 H new ATOM 0 HD1 TYR A 60 -11.588 6.102 -1.950 1.00 1.35 H new ATOM 0 HD2 TYR A 60 -13.117 3.887 -5.294 1.00 1.22 H new ATOM 0 HE1 TYR A 60 -13.588 5.481 -0.622 1.00 1.38 H new ATOM 0 HE2 TYR A 60 -15.119 3.267 -3.969 1.00 1.22 H new ATOM 0 HH TYR A 60 -15.983 4.795 -1.067 1.00 0.56 H new ATOM 793 N THR A 61 -9.048 8.046 -4.726 1.00 0.44 N ATOM 794 CA THR A 61 -7.738 8.573 -5.202 1.00 0.43 C ATOM 795 C THR A 61 -6.600 7.997 -4.354 1.00 0.39 C ATOM 796 O THR A 61 -6.506 8.254 -3.170 1.00 0.41 O ATOM 797 CB THR A 61 -7.830 10.088 -5.020 1.00 0.46 C ATOM 798 OG1 THR A 61 -8.924 10.588 -5.777 1.00 0.52 O ATOM 799 CG2 THR A 61 -6.533 10.742 -5.498 1.00 0.52 C ATOM 0 H THR A 61 -9.272 8.253 -3.753 1.00 0.44 H new ATOM 0 HA THR A 61 -7.533 8.300 -6.237 1.00 0.43 H new ATOM 0 HB THR A 61 -7.982 10.319 -3.966 1.00 0.46 H new ATOM 0 HG1 THR A 61 -8.986 11.559 -5.660 1.00 0.52 H new ATOM 0 HG21 THR A 61 -6.601 11.822 -5.367 1.00 0.52 H new ATOM 0 HG22 THR A 61 -5.696 10.358 -4.916 1.00 0.52 H new ATOM 0 HG23 THR A 61 -6.377 10.513 -6.552 1.00 0.52 H new ATOM 807 N LEU A 62 -5.736 7.223 -4.950 1.00 0.39 N ATOM 808 CA LEU A 62 -4.605 6.634 -4.177 1.00 0.38 C ATOM 809 C LEU A 62 -3.401 7.577 -4.213 1.00 0.35 C ATOM 810 O LEU A 62 -2.914 7.936 -5.267 1.00 0.37 O ATOM 811 CB LEU A 62 -4.280 5.321 -4.888 1.00 0.44 C ATOM 812 CG LEU A 62 -2.940 4.785 -4.381 1.00 0.45 C ATOM 813 CD1 LEU A 62 -3.085 4.340 -2.924 1.00 0.56 C ATOM 814 CD2 LEU A 62 -2.513 3.590 -5.237 1.00 0.55 C ATOM 0 H LEU A 62 -5.763 6.973 -5.938 1.00 0.39 H new ATOM 0 HA LEU A 62 -4.856 6.476 -3.128 1.00 0.38 H new ATOM 0 HB2 LEU A 62 -5.069 4.591 -4.705 1.00 0.44 H new ATOM 0 HB3 LEU A 62 -4.236 5.480 -5.966 1.00 0.44 H new ATOM 0 HG LEU A 62 -2.187 5.570 -4.448 1.00 0.45 H new ATOM 0 HD11 LEU A 62 -2.130 3.958 -2.563 1.00 0.56 H new ATOM 0 HD12 LEU A 62 -3.390 5.189 -2.313 1.00 0.56 H new ATOM 0 HD13 LEU A 62 -3.838 3.555 -2.857 1.00 0.56 H new ATOM 0 HD21 LEU A 62 -1.558 3.207 -4.877 1.00 0.55 H new ATOM 0 HD22 LEU A 62 -3.267 2.806 -5.169 1.00 0.55 H new ATOM 0 HD23 LEU A 62 -2.409 3.905 -6.275 1.00 0.55 H new ATOM 826 N ARG A 63 -2.921 7.987 -3.072 1.00 0.34 N ATOM 827 CA ARG A 63 -1.754 8.913 -3.050 1.00 0.35 C ATOM 828 C ARG A 63 -0.626 8.334 -2.194 1.00 0.38 C ATOM 829 O ARG A 63 -0.783 8.128 -1.009 1.00 0.58 O ATOM 830 CB ARG A 63 -2.289 10.201 -2.426 1.00 0.41 C ATOM 831 CG ARG A 63 -1.462 11.390 -2.919 1.00 1.25 C ATOM 832 CD ARG A 63 -2.354 12.631 -2.997 1.00 1.11 C ATOM 833 NE ARG A 63 -2.008 13.427 -1.786 1.00 1.87 N ATOM 834 CZ ARG A 63 -2.844 14.317 -1.323 1.00 2.19 C ATOM 835 NH1 ARG A 63 -3.988 14.519 -1.920 1.00 2.85 N ATOM 836 NH2 ARG A 63 -2.534 15.007 -0.260 1.00 2.57 N ATOM 0 H ARG A 63 -3.285 7.722 -2.157 1.00 0.34 H new ATOM 0 HA ARG A 63 -1.340 9.077 -4.045 1.00 0.35 H new ATOM 0 HB2 ARG A 63 -3.337 10.338 -2.692 1.00 0.41 H new ATOM 0 HB3 ARG A 63 -2.242 10.138 -1.339 1.00 0.41 H new ATOM 0 HG2 ARG A 63 -0.626 11.571 -2.243 1.00 1.25 H new ATOM 0 HG3 ARG A 63 -1.038 11.171 -3.899 1.00 1.25 H new ATOM 0 HD2 ARG A 63 -2.165 13.197 -3.909 1.00 1.11 H new ATOM 0 HD3 ARG A 63 -3.410 12.359 -3.003 1.00 1.11 H new ATOM 0 HE ARG A 63 -1.115 13.276 -1.317 1.00 1.87 H new ATOM 0 HH11 ARG A 63 -4.231 13.981 -2.751 1.00 2.85 H new ATOM 0 HH12 ARG A 63 -4.638 15.215 -1.555 1.00 2.85 H new ATOM 0 HH21 ARG A 63 -1.641 14.851 0.207 1.00 2.57 H new ATOM 0 HH22 ARG A 63 -3.185 15.703 0.104 1.00 2.57 H new ATOM 850 N TYR A 64 0.511 8.078 -2.782 1.00 0.30 N ATOM 851 CA TYR A 64 1.649 7.522 -1.993 1.00 0.31 C ATOM 852 C TYR A 64 2.976 7.805 -2.709 1.00 0.30 C ATOM 853 O TYR A 64 3.058 7.768 -3.921 1.00 0.31 O ATOM 854 CB TYR A 64 1.370 6.012 -1.891 1.00 0.31 C ATOM 855 CG TYR A 64 1.978 5.281 -3.071 1.00 0.27 C ATOM 856 CD1 TYR A 64 3.351 4.999 -3.092 1.00 1.16 C ATOM 857 CD2 TYR A 64 1.169 4.892 -4.143 1.00 1.16 C ATOM 858 CE1 TYR A 64 3.910 4.328 -4.186 1.00 1.15 C ATOM 859 CE2 TYR A 64 1.728 4.222 -5.238 1.00 1.17 C ATOM 860 CZ TYR A 64 3.099 3.940 -5.259 1.00 0.26 C ATOM 861 OH TYR A 64 3.651 3.280 -6.338 1.00 0.29 O ATOM 0 H TYR A 64 0.702 8.229 -3.773 1.00 0.30 H new ATOM 0 HA TYR A 64 1.733 7.973 -1.004 1.00 0.31 H new ATOM 0 HB2 TYR A 64 1.783 5.621 -0.961 1.00 0.31 H new ATOM 0 HB3 TYR A 64 0.295 5.836 -1.861 1.00 0.31 H new ATOM 0 HD1 TYR A 64 3.977 5.299 -2.265 1.00 1.16 H new ATOM 0 HD2 TYR A 64 0.111 5.109 -4.126 1.00 1.16 H new ATOM 0 HE1 TYR A 64 4.968 4.110 -4.202 1.00 1.15 H new ATOM 0 HE2 TYR A 64 1.102 3.923 -6.066 1.00 1.17 H new ATOM 0 HH TYR A 64 2.936 2.956 -6.924 1.00 0.29 H new ATOM 871 N THR A 65 4.012 8.083 -1.970 1.00 0.30 N ATOM 872 CA THR A 65 5.330 8.362 -2.609 1.00 0.31 C ATOM 873 C THR A 65 6.357 7.334 -2.134 1.00 0.29 C ATOM 874 O THR A 65 6.924 7.455 -1.067 1.00 0.33 O ATOM 875 CB THR A 65 5.714 9.765 -2.138 1.00 0.37 C ATOM 876 OG1 THR A 65 4.640 10.658 -2.396 1.00 0.48 O ATOM 877 CG2 THR A 65 6.962 10.234 -2.887 1.00 0.48 C ATOM 0 H THR A 65 4.005 8.129 -0.951 1.00 0.30 H new ATOM 0 HA THR A 65 5.289 8.302 -3.697 1.00 0.31 H new ATOM 0 HB THR A 65 5.923 9.746 -1.068 1.00 0.37 H new ATOM 0 HG1 THR A 65 4.814 11.515 -1.954 1.00 0.48 H new ATOM 0 HG21 THR A 65 7.234 11.234 -2.550 1.00 0.48 H new ATOM 0 HG22 THR A 65 7.785 9.548 -2.688 1.00 0.48 H new ATOM 0 HG23 THR A 65 6.758 10.255 -3.957 1.00 0.48 H new ATOM 885 N ALA A 66 6.591 6.316 -2.915 1.00 0.25 N ATOM 886 CA ALA A 66 7.570 5.271 -2.502 1.00 0.25 C ATOM 887 C ALA A 66 8.932 5.520 -3.154 1.00 0.27 C ATOM 888 O ALA A 66 9.029 6.085 -4.226 1.00 0.30 O ATOM 889 CB ALA A 66 6.969 3.955 -2.997 1.00 0.25 C ATOM 0 H ALA A 66 6.147 6.162 -3.820 1.00 0.25 H new ATOM 0 HA ALA A 66 7.738 5.268 -1.425 1.00 0.25 H new ATOM 0 HB1 ALA A 66 7.631 3.130 -2.732 1.00 0.25 H new ATOM 0 HB2 ALA A 66 5.995 3.802 -2.532 1.00 0.25 H new ATOM 0 HB3 ALA A 66 6.852 3.993 -4.080 1.00 0.25 H new ATOM 895 N THR A 67 9.986 5.099 -2.510 1.00 0.28 N ATOM 896 CA THR A 67 11.347 5.302 -3.084 1.00 0.31 C ATOM 897 C THR A 67 12.281 4.180 -2.626 1.00 0.32 C ATOM 898 O THR A 67 12.652 4.101 -1.472 1.00 0.40 O ATOM 899 CB THR A 67 11.818 6.648 -2.533 1.00 0.34 C ATOM 900 OG1 THR A 67 10.941 7.673 -2.978 1.00 0.37 O ATOM 901 CG2 THR A 67 13.236 6.934 -3.031 1.00 0.40 C ATOM 0 H THR A 67 9.963 4.622 -1.609 1.00 0.28 H new ATOM 0 HA THR A 67 11.341 5.291 -4.174 1.00 0.31 H new ATOM 0 HB THR A 67 11.816 6.617 -1.443 1.00 0.34 H new ATOM 0 HG1 THR A 67 10.786 8.310 -2.249 1.00 0.37 H new ATOM 0 HG21 THR A 67 13.573 7.894 -2.639 1.00 0.40 H new ATOM 0 HG22 THR A 67 13.907 6.146 -2.689 1.00 0.40 H new ATOM 0 HG23 THR A 67 13.239 6.966 -4.121 1.00 0.40 H new ATOM 909 N ALA A 68 12.664 3.312 -3.520 1.00 0.37 N ATOM 910 CA ALA A 68 13.575 2.198 -3.130 1.00 0.38 C ATOM 911 C ALA A 68 15.016 2.539 -3.510 1.00 0.42 C ATOM 912 O ALA A 68 15.288 2.982 -4.608 1.00 0.45 O ATOM 913 CB ALA A 68 13.086 0.985 -3.924 1.00 0.37 C ATOM 0 H ALA A 68 12.387 3.325 -4.502 1.00 0.37 H new ATOM 0 HA ALA A 68 13.563 2.013 -2.056 1.00 0.38 H new ATOM 0 HB1 ALA A 68 13.709 0.122 -3.690 1.00 0.37 H new ATOM 0 HB2 ALA A 68 12.051 0.769 -3.658 1.00 0.37 H new ATOM 0 HB3 ALA A 68 13.149 1.199 -4.991 1.00 0.37 H new ATOM 919 N SER A 69 15.945 2.329 -2.617 1.00 0.47 N ATOM 920 CA SER A 69 17.365 2.636 -2.945 1.00 0.52 C ATOM 921 C SER A 69 17.690 2.100 -4.339 1.00 0.50 C ATOM 922 O SER A 69 18.560 2.598 -5.026 1.00 0.62 O ATOM 923 CB SER A 69 18.188 1.908 -1.883 1.00 0.56 C ATOM 924 OG SER A 69 19.009 2.847 -1.201 1.00 1.26 O ATOM 0 H SER A 69 15.783 1.960 -1.680 1.00 0.47 H new ATOM 0 HA SER A 69 17.574 3.706 -2.948 1.00 0.52 H new ATOM 0 HB2 SER A 69 17.528 1.404 -1.177 1.00 0.56 H new ATOM 0 HB3 SER A 69 18.804 1.139 -2.348 1.00 0.56 H new ATOM 0 HG SER A 69 19.537 2.384 -0.518 1.00 1.26 H new ATOM 930 N THR A 70 16.985 1.086 -4.760 1.00 0.43 N ATOM 931 CA THR A 70 17.232 0.507 -6.108 1.00 0.51 C ATOM 932 C THR A 70 16.031 0.785 -7.021 1.00 0.58 C ATOM 933 O THR A 70 15.006 1.266 -6.581 1.00 1.36 O ATOM 934 CB THR A 70 17.392 -0.999 -5.861 1.00 0.48 C ATOM 935 OG1 THR A 70 18.094 -1.583 -6.950 1.00 0.64 O ATOM 936 CG2 THR A 70 16.014 -1.657 -5.730 1.00 0.40 C ATOM 0 H THR A 70 16.245 0.632 -4.224 1.00 0.43 H new ATOM 0 HA THR A 70 18.108 0.933 -6.597 1.00 0.51 H new ATOM 0 HB THR A 70 17.951 -1.154 -4.938 1.00 0.48 H new ATOM 0 HG1 THR A 70 18.199 -2.545 -6.794 1.00 0.64 H new ATOM 0 HG21 THR A 70 16.136 -2.726 -5.555 1.00 0.40 H new ATOM 0 HG22 THR A 70 15.476 -1.211 -4.893 1.00 0.40 H new ATOM 0 HG23 THR A 70 15.448 -1.502 -6.649 1.00 0.40 H new ATOM 944 N ASP A 71 16.143 0.473 -8.281 1.00 0.63 N ATOM 945 CA ASP A 71 14.997 0.708 -9.206 1.00 0.58 C ATOM 946 C ASP A 71 14.088 -0.523 -9.213 1.00 0.48 C ATOM 947 O ASP A 71 13.899 -1.163 -10.228 1.00 0.57 O ATOM 948 CB ASP A 71 15.631 0.919 -10.581 1.00 0.70 C ATOM 949 CG ASP A 71 14.720 1.807 -11.431 1.00 1.14 C ATOM 950 OD1 ASP A 71 14.658 2.993 -11.155 1.00 1.93 O ATOM 951 OD2 ASP A 71 14.099 1.285 -12.342 1.00 1.75 O ATOM 0 H ASP A 71 16.974 0.067 -8.711 1.00 0.63 H new ATOM 0 HA ASP A 71 14.387 1.562 -8.912 1.00 0.58 H new ATOM 0 HB2 ASP A 71 16.612 1.382 -10.474 1.00 0.70 H new ATOM 0 HB3 ASP A 71 15.784 -0.041 -11.074 1.00 0.70 H new ATOM 956 N VAL A 72 13.535 -0.866 -8.080 1.00 0.40 N ATOM 957 CA VAL A 72 12.651 -2.066 -8.014 1.00 0.33 C ATOM 958 C VAL A 72 11.229 -1.729 -8.464 1.00 0.33 C ATOM 959 O VAL A 72 10.695 -0.683 -8.154 1.00 0.40 O ATOM 960 CB VAL A 72 12.652 -2.484 -6.541 1.00 0.27 C ATOM 961 CG1 VAL A 72 11.782 -1.521 -5.730 1.00 0.27 C ATOM 962 CG2 VAL A 72 12.082 -3.898 -6.414 1.00 0.32 C ATOM 0 H VAL A 72 13.657 -0.368 -7.198 1.00 0.40 H new ATOM 0 HA VAL A 72 13.006 -2.859 -8.672 1.00 0.33 H new ATOM 0 HB VAL A 72 13.674 -2.460 -6.162 1.00 0.27 H new ATOM 0 HG11 VAL A 72 11.785 -1.822 -4.682 1.00 0.27 H new ATOM 0 HG12 VAL A 72 12.179 -0.510 -5.818 1.00 0.27 H new ATOM 0 HG13 VAL A 72 10.761 -1.544 -6.111 1.00 0.27 H new ATOM 0 HG21 VAL A 72 12.082 -4.197 -5.366 1.00 0.32 H new ATOM 0 HG22 VAL A 72 11.061 -3.915 -6.796 1.00 0.32 H new ATOM 0 HG23 VAL A 72 12.696 -4.591 -6.989 1.00 0.32 H new ATOM 972 N THR A 73 10.610 -2.626 -9.177 1.00 0.32 N ATOM 973 CA THR A 73 9.214 -2.393 -9.636 1.00 0.34 C ATOM 974 C THR A 73 8.340 -3.549 -9.151 1.00 0.32 C ATOM 975 O THR A 73 8.201 -4.555 -9.817 1.00 0.34 O ATOM 976 CB THR A 73 9.292 -2.374 -11.163 1.00 0.39 C ATOM 977 OG1 THR A 73 10.007 -1.220 -11.584 1.00 0.50 O ATOM 978 CG2 THR A 73 7.879 -2.343 -11.749 1.00 0.45 C ATOM 0 H THR A 73 11.014 -3.517 -9.464 1.00 0.32 H new ATOM 0 HA THR A 73 8.785 -1.467 -9.253 1.00 0.34 H new ATOM 0 HB THR A 73 9.807 -3.269 -11.512 1.00 0.39 H new ATOM 0 HG1 THR A 73 10.060 -1.207 -12.562 1.00 0.50 H new ATOM 0 HG21 THR A 73 7.937 -2.329 -12.837 1.00 0.45 H new ATOM 0 HG22 THR A 73 7.331 -3.228 -11.426 1.00 0.45 H new ATOM 0 HG23 THR A 73 7.361 -1.449 -11.402 1.00 0.45 H new ATOM 986 N VAL A 74 7.765 -3.423 -7.987 1.00 0.31 N ATOM 987 CA VAL A 74 6.921 -4.530 -7.458 1.00 0.32 C ATOM 988 C VAL A 74 5.463 -4.331 -7.877 1.00 0.34 C ATOM 989 O VAL A 74 5.182 -3.797 -8.932 1.00 0.34 O ATOM 990 CB VAL A 74 7.079 -4.450 -5.939 1.00 0.33 C ATOM 991 CG1 VAL A 74 8.567 -4.371 -5.584 1.00 0.30 C ATOM 992 CG2 VAL A 74 6.371 -3.202 -5.418 1.00 0.39 C ATOM 0 H VAL A 74 7.843 -2.605 -7.382 1.00 0.31 H new ATOM 0 HA VAL A 74 7.219 -5.506 -7.842 1.00 0.32 H new ATOM 0 HB VAL A 74 6.640 -5.337 -5.483 1.00 0.33 H new ATOM 0 HG11 VAL A 74 8.680 -4.314 -4.501 1.00 0.30 H new ATOM 0 HG12 VAL A 74 9.077 -5.259 -5.956 1.00 0.30 H new ATOM 0 HG13 VAL A 74 9.004 -3.483 -6.042 1.00 0.30 H new ATOM 0 HG21 VAL A 74 6.484 -3.145 -4.335 1.00 0.39 H new ATOM 0 HG22 VAL A 74 6.811 -2.316 -5.876 1.00 0.39 H new ATOM 0 HG23 VAL A 74 5.312 -3.252 -5.670 1.00 0.39 H new ATOM 1002 N ARG A 75 4.534 -4.761 -7.069 1.00 0.38 N ATOM 1003 CA ARG A 75 3.099 -4.595 -7.436 1.00 0.41 C ATOM 1004 C ARG A 75 2.307 -4.024 -6.257 1.00 0.42 C ATOM 1005 O ARG A 75 2.489 -4.419 -5.123 1.00 0.58 O ATOM 1006 CB ARG A 75 2.608 -6.002 -7.776 1.00 0.47 C ATOM 1007 CG ARG A 75 2.843 -6.284 -9.257 1.00 0.51 C ATOM 1008 CD ARG A 75 1.574 -6.883 -9.856 1.00 0.61 C ATOM 1009 NE ARG A 75 1.495 -8.261 -9.297 1.00 1.75 N ATOM 1010 CZ ARG A 75 0.683 -9.138 -9.826 1.00 2.59 C ATOM 1011 NH1 ARG A 75 -0.056 -8.813 -10.853 1.00 3.25 N ATOM 1012 NH2 ARG A 75 0.611 -10.342 -9.327 1.00 3.20 N ATOM 0 H ARG A 75 4.705 -5.219 -6.174 1.00 0.38 H new ATOM 0 HA ARG A 75 2.969 -3.904 -8.269 1.00 0.41 H new ATOM 0 HB2 ARG A 75 3.134 -6.738 -7.168 1.00 0.47 H new ATOM 0 HB3 ARG A 75 1.547 -6.094 -7.542 1.00 0.47 H new ATOM 0 HG2 ARG A 75 3.107 -5.364 -9.778 1.00 0.51 H new ATOM 0 HG3 ARG A 75 3.679 -6.972 -9.381 1.00 0.51 H new ATOM 0 HD2 ARG A 75 0.696 -6.297 -9.586 1.00 0.61 H new ATOM 0 HD3 ARG A 75 1.622 -6.901 -10.945 1.00 0.61 H new ATOM 0 HE ARG A 75 2.076 -8.521 -8.500 1.00 1.75 H new ATOM 0 HH11 ARG A 75 -0.000 -7.873 -11.244 1.00 3.25 H new ATOM 0 HH12 ARG A 75 -0.689 -9.500 -11.264 1.00 3.25 H new ATOM 0 HH21 ARG A 75 1.188 -10.597 -8.525 1.00 3.20 H new ATOM 0 HH22 ARG A 75 -0.022 -11.028 -9.739 1.00 3.20 H new ATOM 1026 N ALA A 76 1.421 -3.103 -6.521 1.00 0.34 N ATOM 1027 CA ALA A 76 0.605 -2.511 -5.423 1.00 0.33 C ATOM 1028 C ALA A 76 -0.843 -2.355 -5.888 1.00 0.35 C ATOM 1029 O ALA A 76 -1.113 -2.194 -7.064 1.00 0.40 O ATOM 1030 CB ALA A 76 1.231 -1.144 -5.144 1.00 0.34 C ATOM 0 H ALA A 76 1.227 -2.734 -7.452 1.00 0.34 H new ATOM 0 HA ALA A 76 0.595 -3.135 -4.529 1.00 0.33 H new ATOM 0 HB1 ALA A 76 0.681 -0.648 -4.344 1.00 0.34 H new ATOM 0 HB2 ALA A 76 2.270 -1.274 -4.843 1.00 0.34 H new ATOM 0 HB3 ALA A 76 1.189 -0.534 -6.046 1.00 0.34 H new ATOM 1036 N LEU A 77 -1.779 -2.406 -4.980 1.00 0.32 N ATOM 1037 CA LEU A 77 -3.206 -2.267 -5.381 1.00 0.34 C ATOM 1038 C LEU A 77 -4.120 -2.363 -4.152 1.00 0.32 C ATOM 1039 O LEU A 77 -3.747 -1.988 -3.058 1.00 0.35 O ATOM 1040 CB LEU A 77 -3.452 -3.439 -6.332 1.00 0.38 C ATOM 1041 CG LEU A 77 -3.051 -4.746 -5.647 1.00 0.38 C ATOM 1042 CD1 LEU A 77 -4.216 -5.258 -4.799 1.00 0.46 C ATOM 1043 CD2 LEU A 77 -2.695 -5.788 -6.710 1.00 0.44 C ATOM 0 H LEU A 77 -1.617 -2.537 -3.981 1.00 0.32 H new ATOM 0 HA LEU A 77 -3.417 -1.305 -5.849 1.00 0.34 H new ATOM 0 HB2 LEU A 77 -4.503 -3.474 -6.618 1.00 0.38 H new ATOM 0 HB3 LEU A 77 -2.876 -3.305 -7.248 1.00 0.38 H new ATOM 0 HG LEU A 77 -2.187 -4.570 -5.005 1.00 0.38 H new ATOM 0 HD11 LEU A 77 -3.929 -6.190 -4.311 1.00 0.46 H new ATOM 0 HD12 LEU A 77 -4.469 -4.515 -4.042 1.00 0.46 H new ATOM 0 HD13 LEU A 77 -5.081 -5.435 -5.438 1.00 0.46 H new ATOM 0 HD21 LEU A 77 -2.409 -6.721 -6.224 1.00 0.44 H new ATOM 0 HD22 LEU A 77 -3.559 -5.963 -7.351 1.00 0.44 H new ATOM 0 HD23 LEU A 77 -1.864 -5.423 -7.313 1.00 0.44 H new ATOM 1055 N VAL A 78 -5.315 -2.860 -4.328 1.00 0.30 N ATOM 1056 CA VAL A 78 -6.258 -2.980 -3.177 1.00 0.30 C ATOM 1057 C VAL A 78 -7.197 -4.166 -3.412 1.00 0.35 C ATOM 1058 O VAL A 78 -7.249 -4.714 -4.495 1.00 0.42 O ATOM 1059 CB VAL A 78 -7.044 -1.664 -3.161 1.00 0.29 C ATOM 1060 CG1 VAL A 78 -7.681 -1.463 -1.785 1.00 0.32 C ATOM 1061 CG2 VAL A 78 -6.100 -0.494 -3.455 1.00 0.31 C ATOM 0 H VAL A 78 -5.680 -3.189 -5.222 1.00 0.30 H new ATOM 0 HA VAL A 78 -5.746 -3.150 -2.230 1.00 0.30 H new ATOM 0 HB VAL A 78 -7.823 -1.704 -3.923 1.00 0.29 H new ATOM 0 HG11 VAL A 78 -8.239 -0.527 -1.776 1.00 0.32 H new ATOM 0 HG12 VAL A 78 -8.357 -2.291 -1.573 1.00 0.32 H new ATOM 0 HG13 VAL A 78 -6.901 -1.428 -1.025 1.00 0.32 H new ATOM 0 HG21 VAL A 78 -6.663 0.439 -3.443 1.00 0.31 H new ATOM 0 HG22 VAL A 78 -5.319 -0.457 -2.696 1.00 0.31 H new ATOM 0 HG23 VAL A 78 -5.646 -0.631 -4.436 1.00 0.31 H new ATOM 1071 N GLY A 79 -7.939 -4.576 -2.418 1.00 0.36 N ATOM 1072 CA GLY A 79 -8.857 -5.731 -2.626 1.00 0.44 C ATOM 1073 C GLY A 79 -9.709 -5.969 -1.378 1.00 0.39 C ATOM 1074 O GLY A 79 -9.800 -5.132 -0.502 1.00 0.37 O ATOM 0 H GLY A 79 -7.950 -4.167 -1.484 1.00 0.36 H new ATOM 0 HA2 GLY A 79 -9.502 -5.540 -3.483 1.00 0.44 H new ATOM 0 HA3 GLY A 79 -8.279 -6.626 -2.855 1.00 0.44 H new ATOM 1078 N GLN A 80 -10.337 -7.112 -1.300 1.00 0.47 N ATOM 1079 CA GLN A 80 -11.192 -7.424 -0.120 1.00 0.47 C ATOM 1080 C GLN A 80 -10.642 -8.639 0.630 1.00 0.61 C ATOM 1081 O GLN A 80 -10.236 -9.616 0.033 1.00 1.19 O ATOM 1082 CB GLN A 80 -12.567 -7.746 -0.709 1.00 0.61 C ATOM 1083 CG GLN A 80 -13.620 -7.711 0.400 1.00 0.88 C ATOM 1084 CD GLN A 80 -14.888 -8.421 -0.078 1.00 1.47 C ATOM 1085 OE1 GLN A 80 -14.943 -8.909 -1.189 1.00 2.33 O ATOM 1086 NE2 GLN A 80 -15.918 -8.498 0.720 1.00 1.70 N ATOM 0 H GLN A 80 -10.294 -7.846 -2.007 1.00 0.47 H new ATOM 0 HA GLN A 80 -11.228 -6.599 0.592 1.00 0.47 H new ATOM 0 HB2 GLN A 80 -12.819 -7.025 -1.487 1.00 0.61 H new ATOM 0 HB3 GLN A 80 -12.551 -8.729 -1.179 1.00 0.61 H new ATOM 0 HG2 GLN A 80 -13.235 -8.196 1.297 1.00 0.88 H new ATOM 0 HG3 GLN A 80 -13.847 -6.679 0.668 1.00 0.88 H new ATOM 0 HE21 GLN A 80 -15.872 -8.088 1.653 1.00 1.70 H new ATOM 0 HE22 GLN A 80 -16.769 -8.968 0.411 1.00 1.70 H new ATOM 1095 N ASN A 81 -10.632 -8.591 1.934 1.00 0.68 N ATOM 1096 CA ASN A 81 -10.116 -9.749 2.716 1.00 0.74 C ATOM 1097 C ASN A 81 -11.270 -10.687 3.079 1.00 0.73 C ATOM 1098 O ASN A 81 -11.909 -10.534 4.102 1.00 0.84 O ATOM 1099 CB ASN A 81 -9.502 -9.139 3.976 1.00 0.99 C ATOM 1100 CG ASN A 81 -8.072 -8.686 3.678 1.00 1.21 C ATOM 1101 OD1 ASN A 81 -7.858 -7.789 2.888 1.00 1.71 O ATOM 1102 ND2 ASN A 81 -7.075 -9.273 4.283 1.00 1.65 N ATOM 0 H ASN A 81 -10.958 -7.801 2.491 1.00 0.68 H new ATOM 0 HA ASN A 81 -9.388 -10.337 2.157 1.00 0.74 H new ATOM 0 HB2 ASN A 81 -10.101 -8.292 4.312 1.00 0.99 H new ATOM 0 HB3 ASN A 81 -9.502 -9.870 4.784 1.00 0.99 H new ATOM 0 HD21 ASN A 81 -6.117 -8.978 4.092 1.00 1.65 H new ATOM 0 HD22 ASN A 81 -7.254 -10.027 4.947 1.00 1.65 H new ATOM 1109 N GLY A 82 -11.545 -11.651 2.244 1.00 0.80 N ATOM 1110 CA GLY A 82 -12.659 -12.598 2.534 1.00 1.00 C ATOM 1111 C GLY A 82 -13.672 -12.560 1.388 1.00 1.14 C ATOM 1112 O GLY A 82 -13.903 -11.530 0.785 1.00 1.86 O ATOM 0 H GLY A 82 -11.045 -11.824 1.372 1.00 0.80 H new ATOM 0 HA2 GLY A 82 -12.269 -13.609 2.656 1.00 1.00 H new ATOM 0 HA3 GLY A 82 -13.145 -12.329 3.472 1.00 1.00 H new ATOM 1116 N ALA A 83 -14.276 -13.675 1.080 1.00 1.27 N ATOM 1117 CA ALA A 83 -15.272 -13.703 -0.031 1.00 1.36 C ATOM 1118 C ALA A 83 -16.286 -12.565 0.133 1.00 1.36 C ATOM 1119 O ALA A 83 -16.483 -12.068 1.224 1.00 1.39 O ATOM 1120 CB ALA A 83 -15.964 -15.060 0.094 1.00 1.66 C ATOM 0 H ALA A 83 -14.124 -14.568 1.549 1.00 1.27 H new ATOM 0 HA ALA A 83 -14.805 -13.570 -1.007 1.00 1.36 H new ATOM 0 HB1 ALA A 83 -16.714 -15.159 -0.690 1.00 1.66 H new ATOM 0 HB2 ALA A 83 -15.226 -15.856 -0.007 1.00 1.66 H new ATOM 0 HB3 ALA A 83 -16.446 -15.134 1.069 1.00 1.66 H new ATOM 1126 N PRO A 84 -16.904 -12.187 -0.962 1.00 1.47 N ATOM 1127 CA PRO A 84 -16.626 -12.829 -2.274 1.00 1.58 C ATOM 1128 C PRO A 84 -15.327 -12.286 -2.885 1.00 1.40 C ATOM 1129 O PRO A 84 -15.044 -12.502 -4.047 1.00 1.56 O ATOM 1130 CB PRO A 84 -17.825 -12.426 -3.126 1.00 1.85 C ATOM 1131 CG PRO A 84 -18.334 -11.154 -2.520 1.00 1.82 C ATOM 1132 CD PRO A 84 -17.920 -11.136 -1.069 1.00 1.64 C ATOM 0 HA PRO A 84 -16.496 -13.908 -2.198 1.00 1.58 H new ATOM 0 HB2 PRO A 84 -17.536 -12.277 -4.166 1.00 1.85 H new ATOM 0 HB3 PRO A 84 -18.592 -13.200 -3.116 1.00 1.85 H new ATOM 0 HG2 PRO A 84 -17.925 -10.291 -3.045 1.00 1.82 H new ATOM 0 HG3 PRO A 84 -19.419 -11.096 -2.608 1.00 1.82 H new ATOM 0 HD2 PRO A 84 -17.517 -10.164 -0.784 1.00 1.64 H new ATOM 0 HD3 PRO A 84 -18.767 -11.335 -0.412 1.00 1.64 H new ATOM 1140 N TYR A 85 -14.540 -11.578 -2.120 1.00 1.12 N ATOM 1141 CA TYR A 85 -13.268 -11.021 -2.667 1.00 0.99 C ATOM 1142 C TYR A 85 -13.569 -10.059 -3.819 1.00 1.01 C ATOM 1143 O TYR A 85 -14.575 -10.174 -4.490 1.00 1.38 O ATOM 1144 CB TYR A 85 -12.479 -12.230 -3.176 1.00 1.17 C ATOM 1145 CG TYR A 85 -12.436 -13.300 -2.112 1.00 1.23 C ATOM 1146 CD1 TYR A 85 -11.744 -13.072 -0.917 1.00 1.48 C ATOM 1147 CD2 TYR A 85 -13.084 -14.523 -2.324 1.00 1.91 C ATOM 1148 CE1 TYR A 85 -11.701 -14.067 0.067 1.00 1.52 C ATOM 1149 CE2 TYR A 85 -13.042 -15.517 -1.340 1.00 2.04 C ATOM 1150 CZ TYR A 85 -12.350 -15.290 -0.144 1.00 1.47 C ATOM 1151 OH TYR A 85 -12.308 -16.271 0.826 1.00 1.62 O ATOM 0 H TYR A 85 -14.722 -11.361 -1.140 1.00 1.12 H new ATOM 0 HA TYR A 85 -12.710 -10.462 -1.916 1.00 0.99 H new ATOM 0 HB2 TYR A 85 -12.943 -12.623 -4.081 1.00 1.17 H new ATOM 0 HB3 TYR A 85 -11.466 -11.928 -3.442 1.00 1.17 H new ATOM 0 HD1 TYR A 85 -11.243 -12.129 -0.754 1.00 1.48 H new ATOM 0 HD2 TYR A 85 -13.616 -14.699 -3.247 1.00 1.91 H new ATOM 0 HE1 TYR A 85 -11.167 -13.891 0.989 1.00 1.52 H new ATOM 0 HE2 TYR A 85 -13.543 -16.460 -1.503 1.00 2.04 H new ATOM 0 HH TYR A 85 -12.810 -17.055 0.520 1.00 1.62 H new ATOM 1161 N GLY A 86 -12.703 -9.112 -4.053 1.00 0.78 N ATOM 1162 CA GLY A 86 -12.939 -8.146 -5.162 1.00 0.82 C ATOM 1163 C GLY A 86 -11.781 -7.149 -5.226 1.00 0.75 C ATOM 1164 O GLY A 86 -11.589 -6.347 -4.334 1.00 0.91 O ATOM 0 H GLY A 86 -11.843 -8.966 -3.525 1.00 0.78 H new ATOM 0 HA2 GLY A 86 -13.027 -8.678 -6.109 1.00 0.82 H new ATOM 0 HA3 GLY A 86 -13.879 -7.618 -5.004 1.00 0.82 H new ATOM 1168 N THR A 87 -11.009 -7.191 -6.277 1.00 0.62 N ATOM 1169 CA THR A 87 -9.865 -6.242 -6.397 1.00 0.56 C ATOM 1170 C THR A 87 -10.284 -5.009 -7.201 1.00 0.54 C ATOM 1171 O THR A 87 -11.046 -5.100 -8.143 1.00 0.60 O ATOM 1172 CB THR A 87 -8.771 -7.016 -7.136 1.00 0.59 C ATOM 1173 OG1 THR A 87 -9.366 -7.970 -8.004 1.00 0.64 O ATOM 1174 CG2 THR A 87 -7.875 -7.731 -6.123 1.00 0.62 C ATOM 0 H THR A 87 -11.120 -7.840 -7.056 1.00 0.62 H new ATOM 0 HA THR A 87 -9.523 -5.889 -5.424 1.00 0.56 H new ATOM 0 HB THR A 87 -8.170 -6.321 -7.722 1.00 0.59 H new ATOM 0 HG1 THR A 87 -8.664 -8.464 -8.478 1.00 0.64 H new ATOM 0 HG21 THR A 87 -7.096 -8.282 -6.651 1.00 0.62 H new ATOM 0 HG22 THR A 87 -7.415 -6.996 -5.462 1.00 0.62 H new ATOM 0 HG23 THR A 87 -8.474 -8.425 -5.533 1.00 0.62 H new ATOM 1182 N VAL A 88 -9.791 -3.858 -6.837 1.00 0.48 N ATOM 1183 CA VAL A 88 -10.160 -2.621 -7.582 1.00 0.50 C ATOM 1184 C VAL A 88 -8.907 -1.970 -8.172 1.00 0.45 C ATOM 1185 O VAL A 88 -8.981 -1.178 -9.090 1.00 0.51 O ATOM 1186 CB VAL A 88 -10.795 -1.704 -6.538 1.00 0.51 C ATOM 1187 CG1 VAL A 88 -12.130 -2.296 -6.083 1.00 0.57 C ATOM 1188 CG2 VAL A 88 -9.858 -1.577 -5.335 1.00 0.51 C ATOM 0 H VAL A 88 -9.149 -3.720 -6.057 1.00 0.48 H new ATOM 0 HA VAL A 88 -10.837 -2.825 -8.412 1.00 0.50 H new ATOM 0 HB VAL A 88 -10.964 -0.719 -6.974 1.00 0.51 H new ATOM 0 HG11 VAL A 88 -12.583 -1.642 -5.338 1.00 0.57 H new ATOM 0 HG12 VAL A 88 -12.798 -2.388 -6.939 1.00 0.57 H new ATOM 0 HG13 VAL A 88 -11.962 -3.281 -5.647 1.00 0.57 H new ATOM 0 HG21 VAL A 88 -10.310 -0.923 -4.589 1.00 0.51 H new ATOM 0 HG22 VAL A 88 -9.690 -2.562 -4.899 1.00 0.51 H new ATOM 0 HG23 VAL A 88 -8.906 -1.156 -5.658 1.00 0.51 H new ATOM 1198 N LEU A 89 -7.757 -2.299 -7.651 1.00 0.38 N ATOM 1199 CA LEU A 89 -6.501 -1.698 -8.182 1.00 0.34 C ATOM 1200 C LEU A 89 -5.602 -2.771 -8.796 1.00 0.34 C ATOM 1201 O LEU A 89 -5.534 -3.887 -8.322 1.00 0.35 O ATOM 1202 CB LEU A 89 -5.821 -1.064 -6.980 1.00 0.31 C ATOM 1203 CG LEU A 89 -6.273 0.386 -6.875 1.00 0.33 C ATOM 1204 CD1 LEU A 89 -7.617 0.450 -6.156 1.00 0.36 C ATOM 1205 CD2 LEU A 89 -5.229 1.177 -6.097 1.00 0.31 C ATOM 0 H LEU A 89 -7.633 -2.957 -6.882 1.00 0.38 H new ATOM 0 HA LEU A 89 -6.704 -0.972 -8.969 1.00 0.34 H new ATOM 0 HB2 LEU A 89 -6.077 -1.607 -6.070 1.00 0.31 H new ATOM 0 HB3 LEU A 89 -4.738 -1.116 -7.087 1.00 0.31 H new ATOM 0 HG LEU A 89 -6.383 0.813 -7.872 1.00 0.33 H new ATOM 0 HD11 LEU A 89 -7.940 1.488 -6.081 1.00 0.36 H new ATOM 0 HD12 LEU A 89 -8.357 -0.121 -6.717 1.00 0.36 H new ATOM 0 HD13 LEU A 89 -7.515 0.029 -5.156 1.00 0.36 H new ATOM 0 HD21 LEU A 89 -5.545 2.217 -6.017 1.00 0.31 H new ATOM 0 HD22 LEU A 89 -5.121 0.753 -5.099 1.00 0.31 H new ATOM 0 HD23 LEU A 89 -4.273 1.128 -6.618 1.00 0.31 H new ATOM 1217 N ASP A 90 -4.910 -2.440 -9.848 1.00 0.35 N ATOM 1218 CA ASP A 90 -4.007 -3.436 -10.487 1.00 0.36 C ATOM 1219 C ASP A 90 -2.845 -2.721 -11.187 1.00 0.37 C ATOM 1220 O ASP A 90 -2.864 -2.527 -12.386 1.00 0.40 O ATOM 1221 CB ASP A 90 -4.880 -4.169 -11.507 1.00 0.40 C ATOM 1222 CG ASP A 90 -4.645 -5.676 -11.391 1.00 1.47 C ATOM 1223 OD1 ASP A 90 -4.667 -6.175 -10.278 1.00 2.28 O ATOM 1224 OD2 ASP A 90 -4.448 -6.305 -12.417 1.00 2.24 O ATOM 0 H ASP A 90 -4.930 -1.523 -10.294 1.00 0.35 H new ATOM 0 HA ASP A 90 -3.569 -4.122 -9.762 1.00 0.36 H new ATOM 0 HB2 ASP A 90 -5.931 -3.940 -11.333 1.00 0.40 H new ATOM 0 HB3 ASP A 90 -4.642 -3.830 -12.515 1.00 0.40 H new ATOM 1229 N THR A 91 -1.838 -2.320 -10.458 1.00 0.38 N ATOM 1230 CA THR A 91 -0.697 -1.613 -11.112 1.00 0.41 C ATOM 1231 C THR A 91 0.635 -2.012 -10.471 1.00 0.37 C ATOM 1232 O THR A 91 0.677 -2.725 -9.488 1.00 0.35 O ATOM 1233 CB THR A 91 -0.974 -0.126 -10.887 1.00 0.44 C ATOM 1234 OG1 THR A 91 -1.450 0.071 -9.563 1.00 0.48 O ATOM 1235 CG2 THR A 91 -2.026 0.355 -11.887 1.00 0.61 C ATOM 0 H THR A 91 -1.755 -2.449 -9.450 1.00 0.38 H new ATOM 0 HA THR A 91 -0.618 -1.864 -12.170 1.00 0.41 H new ATOM 0 HB THR A 91 -0.054 0.441 -11.030 1.00 0.44 H new ATOM 0 HG1 THR A 91 -1.626 1.024 -9.417 1.00 0.48 H new ATOM 0 HG21 THR A 91 -2.223 1.415 -11.726 1.00 0.61 H new ATOM 0 HG22 THR A 91 -1.659 0.204 -12.902 1.00 0.61 H new ATOM 0 HG23 THR A 91 -2.947 -0.211 -11.746 1.00 0.61 H new ATOM 1243 N SER A 92 1.724 -1.549 -11.025 1.00 0.39 N ATOM 1244 CA SER A 92 3.061 -1.889 -10.458 1.00 0.39 C ATOM 1245 C SER A 92 3.789 -0.608 -10.034 1.00 0.37 C ATOM 1246 O SER A 92 4.128 0.216 -10.861 1.00 0.44 O ATOM 1247 CB SER A 92 3.810 -2.580 -11.596 1.00 0.48 C ATOM 1248 OG SER A 92 2.951 -3.525 -12.218 1.00 0.95 O ATOM 0 H SER A 92 1.745 -0.948 -11.849 1.00 0.39 H new ATOM 0 HA SER A 92 2.990 -2.525 -9.575 1.00 0.39 H new ATOM 0 HB2 SER A 92 4.147 -1.843 -12.325 1.00 0.48 H new ATOM 0 HB3 SER A 92 4.700 -3.078 -11.211 1.00 0.48 H new ATOM 0 HG SER A 92 3.428 -3.969 -12.950 1.00 0.95 H new ATOM 1254 N PRO A 93 3.997 -0.483 -8.753 1.00 0.35 N ATOM 1255 CA PRO A 93 4.684 0.712 -8.200 1.00 0.34 C ATOM 1256 C PRO A 93 6.172 0.712 -8.555 1.00 0.34 C ATOM 1257 O PRO A 93 6.966 0.026 -7.942 1.00 0.56 O ATOM 1258 CB PRO A 93 4.495 0.568 -6.693 1.00 0.36 C ATOM 1259 CG PRO A 93 4.287 -0.893 -6.469 1.00 0.38 C ATOM 1260 CD PRO A 93 3.617 -1.432 -7.703 1.00 0.40 C ATOM 0 HA PRO A 93 4.283 1.644 -8.598 1.00 0.34 H new ATOM 0 HB2 PRO A 93 5.367 0.931 -6.149 1.00 0.36 H new ATOM 0 HB3 PRO A 93 3.639 1.147 -6.345 1.00 0.36 H new ATOM 0 HG2 PRO A 93 5.238 -1.396 -6.295 1.00 0.38 H new ATOM 0 HG3 PRO A 93 3.669 -1.065 -5.588 1.00 0.38 H new ATOM 0 HD2 PRO A 93 3.958 -2.441 -7.934 1.00 0.40 H new ATOM 0 HD3 PRO A 93 2.535 -1.481 -7.581 1.00 0.40 H new ATOM 1268 N ALA A 94 6.562 1.493 -9.524 1.00 0.36 N ATOM 1269 CA ALA A 94 8.003 1.550 -9.894 1.00 0.38 C ATOM 1270 C ALA A 94 8.761 2.355 -8.835 1.00 0.38 C ATOM 1271 O ALA A 94 8.216 3.249 -8.221 1.00 0.47 O ATOM 1272 CB ALA A 94 8.042 2.263 -11.246 1.00 0.45 C ATOM 0 H ALA A 94 5.947 2.092 -10.074 1.00 0.36 H new ATOM 0 HA ALA A 94 8.465 0.565 -9.952 1.00 0.38 H new ATOM 0 HB1 ALA A 94 9.075 2.343 -11.585 1.00 0.45 H new ATOM 0 HB2 ALA A 94 7.464 1.694 -11.974 1.00 0.45 H new ATOM 0 HB3 ALA A 94 7.615 3.261 -11.144 1.00 0.45 H new ATOM 1278 N LEU A 95 10.006 2.045 -8.605 1.00 0.35 N ATOM 1279 CA LEU A 95 10.772 2.802 -7.573 1.00 0.36 C ATOM 1280 C LEU A 95 12.171 3.150 -8.084 1.00 0.41 C ATOM 1281 O LEU A 95 12.629 2.627 -9.080 1.00 0.50 O ATOM 1282 CB LEU A 95 10.855 1.857 -6.374 1.00 0.35 C ATOM 1283 CG LEU A 95 9.500 1.812 -5.666 1.00 0.34 C ATOM 1284 CD1 LEU A 95 9.461 0.622 -4.706 1.00 0.51 C ATOM 1285 CD2 LEU A 95 9.295 3.107 -4.877 1.00 0.54 C ATOM 0 H LEU A 95 10.524 1.307 -9.082 1.00 0.35 H new ATOM 0 HA LEU A 95 10.293 3.747 -7.319 1.00 0.36 H new ATOM 0 HB2 LEU A 95 11.138 0.858 -6.704 1.00 0.35 H new ATOM 0 HB3 LEU A 95 11.627 2.196 -5.683 1.00 0.35 H new ATOM 0 HG LEU A 95 8.708 1.706 -6.408 1.00 0.34 H new ATOM 0 HD11 LEU A 95 8.495 0.592 -4.203 1.00 0.51 H new ATOM 0 HD12 LEU A 95 9.608 -0.302 -5.266 1.00 0.51 H new ATOM 0 HD13 LEU A 95 10.253 0.727 -3.965 1.00 0.51 H new ATOM 0 HD21 LEU A 95 8.330 3.076 -4.372 1.00 0.54 H new ATOM 0 HD22 LEU A 95 10.089 3.212 -4.137 1.00 0.54 H new ATOM 0 HD23 LEU A 95 9.321 3.957 -5.559 1.00 0.54 H new ATOM 1297 N THR A 96 12.852 4.032 -7.404 1.00 0.45 N ATOM 1298 CA THR A 96 14.224 4.423 -7.840 1.00 0.50 C ATOM 1299 C THR A 96 14.943 5.161 -6.709 1.00 0.52 C ATOM 1300 O THR A 96 14.407 5.339 -5.632 1.00 0.74 O ATOM 1301 CB THR A 96 14.020 5.351 -9.041 1.00 0.53 C ATOM 1302 OG1 THR A 96 15.207 6.099 -9.267 1.00 0.63 O ATOM 1303 CG2 THR A 96 12.859 6.309 -8.766 1.00 0.68 C ATOM 0 H THR A 96 12.516 4.500 -6.562 1.00 0.45 H new ATOM 0 HA THR A 96 14.834 3.558 -8.099 1.00 0.50 H new ATOM 0 HB THR A 96 13.790 4.753 -9.923 1.00 0.53 H new ATOM 0 HG1 THR A 96 15.078 6.692 -10.036 1.00 0.63 H new ATOM 0 HG21 THR A 96 12.719 6.967 -9.624 1.00 0.68 H new ATOM 0 HG22 THR A 96 11.947 5.736 -8.595 1.00 0.68 H new ATOM 0 HG23 THR A 96 13.083 6.908 -7.883 1.00 0.68 H new ATOM 1311 N SER A 97 16.151 5.590 -6.943 1.00 0.53 N ATOM 1312 CA SER A 97 16.903 6.316 -5.878 1.00 0.54 C ATOM 1313 C SER A 97 16.274 7.690 -5.629 1.00 0.52 C ATOM 1314 O SER A 97 16.668 8.409 -4.732 1.00 0.72 O ATOM 1315 CB SER A 97 18.322 6.463 -6.426 1.00 0.61 C ATOM 1316 OG SER A 97 18.763 7.802 -6.243 1.00 1.38 O ATOM 0 H SER A 97 16.651 5.470 -7.824 1.00 0.53 H new ATOM 0 HA SER A 97 16.888 5.786 -4.926 1.00 0.54 H new ATOM 0 HB2 SER A 97 18.994 5.774 -5.915 1.00 0.61 H new ATOM 0 HB3 SER A 97 18.344 6.203 -7.484 1.00 0.61 H new ATOM 0 HG SER A 97 19.674 7.897 -6.593 1.00 1.38 H new ATOM 1322 N GLU A 98 15.300 8.059 -6.414 1.00 0.55 N ATOM 1323 CA GLU A 98 14.647 9.385 -6.219 1.00 0.58 C ATOM 1324 C GLU A 98 13.234 9.199 -5.657 1.00 0.52 C ATOM 1325 O GLU A 98 12.735 8.094 -5.586 1.00 0.50 O ATOM 1326 CB GLU A 98 14.592 10.009 -7.613 1.00 0.66 C ATOM 1327 CG GLU A 98 15.596 11.161 -7.697 1.00 1.07 C ATOM 1328 CD GLU A 98 15.905 11.464 -9.165 1.00 1.49 C ATOM 1329 OE1 GLU A 98 15.423 10.733 -10.014 1.00 2.03 O ATOM 1330 OE2 GLU A 98 16.619 12.422 -9.414 1.00 2.09 O ATOM 0 H GLU A 98 14.928 7.500 -7.182 1.00 0.55 H new ATOM 0 HA GLU A 98 15.190 10.014 -5.513 1.00 0.58 H new ATOM 0 HB2 GLU A 98 14.821 9.257 -8.369 1.00 0.66 H new ATOM 0 HB3 GLU A 98 13.586 10.374 -7.820 1.00 0.66 H new ATOM 0 HG2 GLU A 98 15.190 12.047 -7.210 1.00 1.07 H new ATOM 0 HG3 GLU A 98 16.512 10.898 -7.168 1.00 1.07 H new ATOM 1337 N PRO A 99 12.637 10.296 -5.277 1.00 0.51 N ATOM 1338 CA PRO A 99 11.264 10.261 -4.715 1.00 0.48 C ATOM 1339 C PRO A 99 10.242 9.981 -5.820 1.00 0.45 C ATOM 1340 O PRO A 99 10.244 10.619 -6.854 1.00 0.48 O ATOM 1341 CB PRO A 99 11.076 11.665 -4.145 1.00 0.51 C ATOM 1342 CG PRO A 99 12.017 12.528 -4.924 1.00 0.55 C ATOM 1343 CD PRO A 99 13.177 11.658 -5.335 1.00 0.56 C ATOM 0 HA PRO A 99 11.126 9.480 -3.968 1.00 0.48 H new ATOM 0 HB2 PRO A 99 10.046 12.002 -4.258 1.00 0.51 H new ATOM 0 HB3 PRO A 99 11.305 11.693 -3.080 1.00 0.51 H new ATOM 0 HG2 PRO A 99 11.521 12.947 -5.799 1.00 0.55 H new ATOM 0 HG3 PRO A 99 12.360 13.368 -4.319 1.00 0.55 H new ATOM 0 HD2 PRO A 99 13.527 11.906 -6.337 1.00 0.56 H new ATOM 0 HD3 PRO A 99 14.026 11.780 -4.662 1.00 0.56 H new ATOM 1351 N ARG A 100 9.369 9.032 -5.612 1.00 0.42 N ATOM 1352 CA ARG A 100 8.353 8.719 -6.657 1.00 0.41 C ATOM 1353 C ARG A 100 6.941 8.926 -6.104 1.00 0.39 C ATOM 1354 O ARG A 100 6.350 8.033 -5.528 1.00 0.38 O ATOM 1355 CB ARG A 100 8.582 7.248 -7.007 1.00 0.44 C ATOM 1356 CG ARG A 100 8.579 7.079 -8.528 1.00 1.02 C ATOM 1357 CD ARG A 100 7.981 5.718 -8.890 1.00 0.80 C ATOM 1358 NE ARG A 100 6.949 6.013 -9.922 1.00 1.37 N ATOM 1359 CZ ARG A 100 7.308 6.370 -11.126 1.00 1.40 C ATOM 1360 NH1 ARG A 100 8.575 6.474 -11.430 1.00 1.93 N ATOM 1361 NH2 ARG A 100 6.399 6.626 -12.026 1.00 1.99 N ATOM 0 H ARG A 100 9.316 8.462 -4.767 1.00 0.42 H new ATOM 0 HA ARG A 100 8.449 9.365 -7.530 1.00 0.41 H new ATOM 0 HB2 ARG A 100 9.532 6.909 -6.595 1.00 0.44 H new ATOM 0 HB3 ARG A 100 7.802 6.631 -6.560 1.00 0.44 H new ATOM 0 HG2 ARG A 100 8.000 7.877 -8.992 1.00 1.02 H new ATOM 0 HG3 ARG A 100 9.595 7.156 -8.915 1.00 1.02 H new ATOM 0 HD2 ARG A 100 8.744 5.042 -9.276 1.00 0.80 H new ATOM 0 HD3 ARG A 100 7.540 5.236 -8.017 1.00 0.80 H new ATOM 0 HE ARG A 100 5.959 5.936 -9.688 1.00 1.37 H new ATOM 0 HH11 ARG A 100 9.286 6.276 -10.726 1.00 1.93 H new ATOM 0 HH12 ARG A 100 8.852 6.753 -12.371 1.00 1.93 H new ATOM 0 HH21 ARG A 100 5.410 6.547 -11.789 1.00 1.99 H new ATOM 0 HH22 ARG A 100 6.677 6.905 -12.967 1.00 1.99 H new ATOM 1375 N GLN A 101 6.395 10.099 -6.280 1.00 0.40 N ATOM 1376 CA GLN A 101 5.019 10.368 -5.773 1.00 0.41 C ATOM 1377 C GLN A 101 3.990 9.659 -6.656 1.00 0.42 C ATOM 1378 O GLN A 101 4.225 9.414 -7.823 1.00 0.76 O ATOM 1379 CB GLN A 101 4.853 11.884 -5.870 1.00 0.44 C ATOM 1380 CG GLN A 101 4.645 12.465 -4.470 1.00 1.18 C ATOM 1381 CD GLN A 101 4.151 13.908 -4.585 1.00 1.56 C ATOM 1382 OE1 GLN A 101 4.767 14.723 -5.243 1.00 2.32 O ATOM 1383 NE2 GLN A 101 3.057 14.261 -3.968 1.00 1.99 N ATOM 0 H GLN A 101 6.843 10.883 -6.754 1.00 0.40 H new ATOM 0 HA GLN A 101 4.872 10.007 -4.755 1.00 0.41 H new ATOM 0 HB2 GLN A 101 5.734 12.328 -6.332 1.00 0.44 H new ATOM 0 HB3 GLN A 101 4.002 12.127 -6.506 1.00 0.44 H new ATOM 0 HG2 GLN A 101 3.921 11.864 -3.919 1.00 1.18 H new ATOM 0 HG3 GLN A 101 5.579 12.433 -3.909 1.00 1.18 H new ATOM 0 HE21 GLN A 101 2.540 13.577 -3.416 1.00 1.99 H new ATOM 0 HE22 GLN A 101 2.719 15.221 -4.038 1.00 1.99 H new ATOM 1392 N VAL A 102 2.851 9.327 -6.113 1.00 0.39 N ATOM 1393 CA VAL A 102 1.815 8.635 -6.931 1.00 0.39 C ATOM 1394 C VAL A 102 0.434 9.237 -6.663 1.00 0.39 C ATOM 1395 O VAL A 102 0.035 9.422 -5.532 1.00 0.45 O ATOM 1396 CB VAL A 102 1.858 7.177 -6.479 1.00 0.47 C ATOM 1397 CG1 VAL A 102 0.738 6.398 -7.170 1.00 0.44 C ATOM 1398 CG2 VAL A 102 3.210 6.567 -6.856 1.00 0.61 C ATOM 0 H VAL A 102 2.593 9.504 -5.142 1.00 0.39 H new ATOM 0 HA VAL A 102 2.003 8.737 -8.000 1.00 0.39 H new ATOM 0 HB VAL A 102 1.724 7.126 -5.398 1.00 0.47 H new ATOM 0 HG11 VAL A 102 0.767 5.357 -6.849 1.00 0.44 H new ATOM 0 HG12 VAL A 102 -0.225 6.833 -6.904 1.00 0.44 H new ATOM 0 HG13 VAL A 102 0.873 6.448 -8.250 1.00 0.44 H new ATOM 0 HG21 VAL A 102 3.242 5.526 -6.534 1.00 0.61 H new ATOM 0 HG22 VAL A 102 3.343 6.617 -7.937 1.00 0.61 H new ATOM 0 HG23 VAL A 102 4.009 7.123 -6.366 1.00 0.61 H new ATOM 1408 N THR A 103 -0.296 9.542 -7.699 1.00 0.37 N ATOM 1409 CA THR A 103 -1.655 10.129 -7.512 1.00 0.42 C ATOM 1410 C THR A 103 -2.558 9.746 -8.688 1.00 0.42 C ATOM 1411 O THR A 103 -2.348 10.171 -9.806 1.00 0.47 O ATOM 1412 CB THR A 103 -1.433 11.642 -7.474 1.00 0.45 C ATOM 1413 OG1 THR A 103 -0.078 11.913 -7.143 1.00 0.61 O ATOM 1414 CG2 THR A 103 -2.351 12.268 -6.422 1.00 0.69 C ATOM 0 H THR A 103 -0.011 9.410 -8.669 1.00 0.37 H new ATOM 0 HA THR A 103 -2.142 9.768 -6.606 1.00 0.42 H new ATOM 0 HB THR A 103 -1.661 12.067 -8.452 1.00 0.45 H new ATOM 0 HG1 THR A 103 0.066 12.882 -7.120 1.00 0.61 H new ATOM 0 HG21 THR A 103 -2.192 13.346 -6.396 1.00 0.69 H new ATOM 0 HG22 THR A 103 -3.390 12.061 -6.676 1.00 0.69 H new ATOM 0 HG23 THR A 103 -2.125 11.844 -5.444 1.00 0.69 H new ATOM 1422 N GLU A 104 -3.560 8.945 -8.448 1.00 0.45 N ATOM 1423 CA GLU A 104 -4.469 8.539 -9.559 1.00 0.49 C ATOM 1424 C GLU A 104 -5.903 8.383 -9.048 1.00 0.47 C ATOM 1425 O GLU A 104 -6.136 8.182 -7.872 1.00 0.50 O ATOM 1426 CB GLU A 104 -3.924 7.194 -10.043 1.00 0.53 C ATOM 1427 CG GLU A 104 -2.652 7.422 -10.862 1.00 0.68 C ATOM 1428 CD GLU A 104 -2.640 6.472 -12.062 1.00 1.28 C ATOM 1429 OE1 GLU A 104 -2.953 5.308 -11.874 1.00 1.79 O ATOM 1430 OE2 GLU A 104 -2.317 6.926 -13.147 1.00 2.05 O ATOM 0 H GLU A 104 -3.789 8.555 -7.534 1.00 0.45 H new ATOM 0 HA GLU A 104 -4.499 9.281 -10.357 1.00 0.49 H new ATOM 0 HB2 GLU A 104 -3.710 6.549 -9.191 1.00 0.53 H new ATOM 0 HB3 GLU A 104 -4.672 6.683 -10.649 1.00 0.53 H new ATOM 0 HG2 GLU A 104 -2.607 8.456 -11.203 1.00 0.68 H new ATOM 0 HG3 GLU A 104 -1.772 7.252 -10.242 1.00 0.68 H new ATOM 1437 N THR A 105 -6.867 8.471 -9.924 1.00 0.62 N ATOM 1438 CA THR A 105 -8.287 8.325 -9.492 1.00 0.65 C ATOM 1439 C THR A 105 -8.893 7.059 -10.104 1.00 0.68 C ATOM 1440 O THR A 105 -9.211 7.016 -11.276 1.00 1.10 O ATOM 1441 CB THR A 105 -8.994 9.572 -10.026 1.00 0.71 C ATOM 1442 OG1 THR A 105 -8.177 10.712 -9.797 1.00 1.41 O ATOM 1443 CG2 THR A 105 -10.334 9.748 -9.308 1.00 1.41 C ATOM 0 H THR A 105 -6.733 8.638 -10.921 1.00 0.62 H new ATOM 0 HA THR A 105 -8.385 8.235 -8.410 1.00 0.65 H new ATOM 0 HB THR A 105 -9.170 9.461 -11.096 1.00 0.71 H new ATOM 0 HG1 THR A 105 -8.628 11.512 -10.140 1.00 1.41 H new ATOM 0 HG21 THR A 105 -10.837 10.637 -9.689 1.00 1.41 H new ATOM 0 HG22 THR A 105 -10.959 8.873 -9.485 1.00 1.41 H new ATOM 0 HG23 THR A 105 -10.161 9.860 -8.238 1.00 1.41 H new ATOM 1451 N PHE A 106 -9.051 6.027 -9.321 1.00 0.55 N ATOM 1452 CA PHE A 106 -9.632 4.764 -9.861 1.00 0.57 C ATOM 1453 C PHE A 106 -11.042 4.545 -9.307 1.00 0.57 C ATOM 1454 O PHE A 106 -11.378 5.009 -8.236 1.00 0.60 O ATOM 1455 CB PHE A 106 -8.692 3.660 -9.375 1.00 0.54 C ATOM 1456 CG PHE A 106 -8.866 3.473 -7.887 1.00 0.44 C ATOM 1457 CD1 PHE A 106 -8.134 4.262 -6.992 1.00 1.21 C ATOM 1458 CD2 PHE A 106 -9.760 2.512 -7.402 1.00 1.33 C ATOM 1459 CE1 PHE A 106 -8.296 4.089 -5.612 1.00 1.20 C ATOM 1460 CE2 PHE A 106 -9.922 2.339 -6.022 1.00 1.32 C ATOM 1461 CZ PHE A 106 -9.190 3.128 -5.127 1.00 0.38 C ATOM 0 H PHE A 106 -8.803 6.003 -8.332 1.00 0.55 H new ATOM 0 HA PHE A 106 -9.719 4.783 -10.947 1.00 0.57 H new ATOM 0 HB2 PHE A 106 -8.907 2.728 -9.897 1.00 0.54 H new ATOM 0 HB3 PHE A 106 -7.658 3.921 -9.602 1.00 0.54 H new ATOM 0 HD1 PHE A 106 -7.444 5.004 -7.366 1.00 1.21 H new ATOM 0 HD2 PHE A 106 -10.325 1.903 -8.092 1.00 1.33 H new ATOM 0 HE1 PHE A 106 -7.731 4.698 -4.922 1.00 1.20 H new ATOM 0 HE2 PHE A 106 -10.612 1.597 -5.648 1.00 1.32 H new ATOM 0 HZ PHE A 106 -9.315 2.995 -4.063 1.00 0.38 H new ATOM 1471 N THR A 107 -11.868 3.836 -10.028 1.00 0.61 N ATOM 1472 CA THR A 107 -13.254 3.581 -9.542 1.00 0.63 C ATOM 1473 C THR A 107 -13.301 2.259 -8.771 1.00 0.57 C ATOM 1474 O THR A 107 -13.407 1.196 -9.350 1.00 0.63 O ATOM 1475 CB THR A 107 -14.108 3.496 -10.808 1.00 0.72 C ATOM 1476 OG1 THR A 107 -14.072 4.744 -11.486 1.00 0.80 O ATOM 1477 CG2 THR A 107 -15.552 3.160 -10.430 1.00 0.76 C ATOM 0 H THR A 107 -11.643 3.422 -10.933 1.00 0.61 H new ATOM 0 HA THR A 107 -13.608 4.359 -8.866 1.00 0.63 H new ATOM 0 HB THR A 107 -13.715 2.716 -11.460 1.00 0.72 H new ATOM 0 HG1 THR A 107 -14.617 4.691 -12.298 1.00 0.80 H new ATOM 0 HG21 THR A 107 -16.160 3.100 -11.333 1.00 0.76 H new ATOM 0 HG22 THR A 107 -15.579 2.202 -9.910 1.00 0.76 H new ATOM 0 HG23 THR A 107 -15.948 3.938 -9.778 1.00 0.76 H new ATOM 1485 N ALA A 108 -13.219 2.316 -7.470 1.00 0.49 N ATOM 1486 CA ALA A 108 -13.254 1.061 -6.666 1.00 0.44 C ATOM 1487 C ALA A 108 -14.533 0.274 -6.960 1.00 0.46 C ATOM 1488 O ALA A 108 -15.604 0.617 -6.501 1.00 0.49 O ATOM 1489 CB ALA A 108 -13.230 1.524 -5.210 1.00 0.43 C ATOM 0 H ALA A 108 -13.129 3.176 -6.929 1.00 0.49 H new ATOM 0 HA ALA A 108 -12.419 0.400 -6.898 1.00 0.44 H new ATOM 0 HB1 ALA A 108 -13.254 0.656 -4.552 1.00 0.43 H new ATOM 0 HB2 ALA A 108 -12.320 2.095 -5.025 1.00 0.43 H new ATOM 0 HB3 ALA A 108 -14.099 2.152 -5.014 1.00 0.43 H new ATOM 1495 N SER A 109 -14.429 -0.780 -7.722 1.00 0.49 N ATOM 1496 CA SER A 109 -15.638 -1.591 -8.044 1.00 0.53 C ATOM 1497 C SER A 109 -15.797 -2.725 -7.029 1.00 0.51 C ATOM 1498 O SER A 109 -15.930 -3.879 -7.387 1.00 0.57 O ATOM 1499 CB SER A 109 -15.377 -2.153 -9.441 1.00 0.60 C ATOM 1500 OG SER A 109 -14.291 -3.069 -9.383 1.00 0.69 O ATOM 0 H SER A 109 -13.559 -1.115 -8.136 1.00 0.49 H new ATOM 0 HA SER A 109 -16.554 -1.001 -8.008 1.00 0.53 H new ATOM 0 HB2 SER A 109 -16.270 -2.653 -9.817 1.00 0.60 H new ATOM 0 HB3 SER A 109 -15.149 -1.344 -10.134 1.00 0.60 H new ATOM 0 HG SER A 109 -14.122 -3.433 -10.277 1.00 0.69 H new ATOM 1506 N ALA A 110 -15.786 -2.406 -5.764 1.00 0.45 N ATOM 1507 CA ALA A 110 -15.936 -3.464 -4.725 1.00 0.45 C ATOM 1508 C ALA A 110 -16.411 -2.845 -3.408 1.00 0.43 C ATOM 1509 O ALA A 110 -17.011 -1.788 -3.391 1.00 0.47 O ATOM 1510 CB ALA A 110 -14.539 -4.063 -4.562 1.00 0.45 C ATOM 0 H ALA A 110 -15.680 -1.457 -5.405 1.00 0.45 H new ATOM 0 HA ALA A 110 -16.671 -4.218 -5.007 1.00 0.45 H new ATOM 0 HB1 ALA A 110 -14.567 -4.852 -3.811 1.00 0.45 H new ATOM 0 HB2 ALA A 110 -14.208 -4.479 -5.514 1.00 0.45 H new ATOM 0 HB3 ALA A 110 -13.844 -3.285 -4.245 1.00 0.45 H new ATOM 1516 N THR A 111 -16.148 -3.490 -2.306 1.00 0.45 N ATOM 1517 CA THR A 111 -16.589 -2.931 -0.996 1.00 0.47 C ATOM 1518 C THR A 111 -15.639 -3.372 0.121 1.00 0.48 C ATOM 1519 O THR A 111 -15.557 -4.536 0.457 1.00 0.55 O ATOM 1520 CB THR A 111 -17.987 -3.507 -0.769 1.00 0.59 C ATOM 1521 OG1 THR A 111 -18.776 -3.303 -1.933 1.00 0.61 O ATOM 1522 CG2 THR A 111 -18.641 -2.807 0.423 1.00 0.73 C ATOM 0 H THR A 111 -15.648 -4.378 -2.255 1.00 0.45 H new ATOM 0 HA THR A 111 -16.591 -1.841 -0.995 1.00 0.47 H new ATOM 0 HB THR A 111 -17.912 -4.575 -0.564 1.00 0.59 H new ATOM 0 HG1 THR A 111 -19.672 -3.673 -1.790 1.00 0.61 H new ATOM 0 HG21 THR A 111 -19.638 -3.218 0.584 1.00 0.73 H new ATOM 0 HG22 THR A 111 -18.035 -2.965 1.315 1.00 0.73 H new ATOM 0 HG23 THR A 111 -18.718 -1.739 0.220 1.00 0.73 H new ATOM 1530 N TYR A 112 -14.929 -2.446 0.705 1.00 0.46 N ATOM 1531 CA TYR A 112 -13.991 -2.805 1.808 1.00 0.54 C ATOM 1532 C TYR A 112 -14.512 -2.241 3.133 1.00 0.66 C ATOM 1533 O TYR A 112 -14.134 -1.160 3.538 1.00 0.81 O ATOM 1534 CB TYR A 112 -12.659 -2.145 1.438 1.00 0.52 C ATOM 1535 CG TYR A 112 -12.172 -2.653 0.097 1.00 0.44 C ATOM 1536 CD1 TYR A 112 -12.724 -3.811 -0.468 1.00 1.26 C ATOM 1537 CD2 TYR A 112 -11.164 -1.958 -0.583 1.00 1.23 C ATOM 1538 CE1 TYR A 112 -12.271 -4.266 -1.714 1.00 1.33 C ATOM 1539 CE2 TYR A 112 -10.710 -2.416 -1.826 1.00 1.18 C ATOM 1540 CZ TYR A 112 -11.265 -3.568 -2.391 1.00 0.50 C ATOM 1541 OH TYR A 112 -10.828 -4.007 -3.622 1.00 0.61 O ATOM 0 H TYR A 112 -14.958 -1.455 0.466 1.00 0.46 H new ATOM 0 HA TYR A 112 -13.888 -3.883 1.928 1.00 0.54 H new ATOM 0 HB2 TYR A 112 -12.780 -1.062 1.402 1.00 0.52 H new ATOM 0 HB3 TYR A 112 -11.915 -2.357 2.206 1.00 0.52 H new ATOM 0 HD1 TYR A 112 -13.498 -4.352 0.056 1.00 1.26 H new ATOM 0 HD2 TYR A 112 -10.736 -1.067 -0.148 1.00 1.23 H new ATOM 0 HE1 TYR A 112 -12.699 -5.156 -2.152 1.00 1.33 H new ATOM 0 HE2 TYR A 112 -9.931 -1.880 -2.348 1.00 1.18 H new ATOM 0 HH TYR A 112 -11.414 -4.725 -3.940 1.00 0.61 H new ATOM 1551 N PRO A 113 -15.371 -2.995 3.764 1.00 0.67 N ATOM 1552 CA PRO A 113 -15.958 -2.564 5.058 1.00 0.80 C ATOM 1553 C PRO A 113 -14.904 -2.617 6.166 1.00 0.79 C ATOM 1554 O PRO A 113 -14.121 -3.540 6.246 1.00 1.06 O ATOM 1555 CB PRO A 113 -17.066 -3.584 5.305 1.00 0.89 C ATOM 1556 CG PRO A 113 -16.654 -4.796 4.531 1.00 0.84 C ATOM 1557 CD PRO A 113 -15.871 -4.308 3.340 1.00 0.69 C ATOM 0 HA PRO A 113 -16.328 -1.539 5.043 1.00 0.80 H new ATOM 0 HB2 PRO A 113 -17.166 -3.809 6.367 1.00 0.89 H new ATOM 0 HB3 PRO A 113 -18.031 -3.208 4.966 1.00 0.89 H new ATOM 0 HG2 PRO A 113 -16.047 -5.460 5.147 1.00 0.84 H new ATOM 0 HG3 PRO A 113 -17.527 -5.366 4.212 1.00 0.84 H new ATOM 0 HD2 PRO A 113 -15.054 -4.986 3.093 1.00 0.69 H new ATOM 0 HD3 PRO A 113 -16.500 -4.229 2.453 1.00 0.69 H new ATOM 1565 N ALA A 114 -14.877 -1.630 7.020 1.00 0.96 N ATOM 1566 CA ALA A 114 -13.869 -1.624 8.120 1.00 1.04 C ATOM 1567 C ALA A 114 -14.383 -2.427 9.318 1.00 1.11 C ATOM 1568 O ALA A 114 -14.458 -1.930 10.424 1.00 1.38 O ATOM 1569 CB ALA A 114 -13.703 -0.150 8.494 1.00 1.22 C ATOM 0 H ALA A 114 -15.508 -0.829 7.004 1.00 0.96 H new ATOM 0 HA ALA A 114 -12.926 -2.079 7.817 1.00 1.04 H new ATOM 0 HB1 ALA A 114 -12.975 -0.059 9.300 1.00 1.22 H new ATOM 0 HB2 ALA A 114 -13.355 0.409 7.625 1.00 1.22 H new ATOM 0 HB3 ALA A 114 -14.661 0.252 8.824 1.00 1.22 H new ATOM 1575 N THR A 115 -14.737 -3.665 9.107 1.00 1.23 N ATOM 1576 CA THR A 115 -15.244 -4.497 10.235 1.00 1.39 C ATOM 1577 C THR A 115 -14.787 -5.949 10.069 1.00 1.34 C ATOM 1578 O THR A 115 -15.459 -6.744 9.442 1.00 1.54 O ATOM 1579 CB THR A 115 -16.768 -4.398 10.147 1.00 1.82 C ATOM 1580 OG1 THR A 115 -17.124 -3.232 9.417 1.00 2.04 O ATOM 1581 CG2 THR A 115 -17.359 -4.320 11.556 1.00 2.52 C ATOM 0 H THR A 115 -14.697 -4.136 8.203 1.00 1.23 H new ATOM 0 HA THR A 115 -14.870 -4.157 11.200 1.00 1.39 H new ATOM 0 HB THR A 115 -17.161 -5.279 9.639 1.00 1.82 H new ATOM 0 HG1 THR A 115 -18.100 -3.168 9.358 1.00 2.04 H new ATOM 0 HG21 THR A 115 -18.445 -4.249 11.492 1.00 2.52 H new ATOM 0 HG22 THR A 115 -17.086 -5.215 12.115 1.00 2.52 H new ATOM 0 HG23 THR A 115 -16.968 -3.440 12.066 1.00 2.52 H new ATOM 1589 N PRO A 116 -13.653 -6.244 10.645 1.00 1.33 N ATOM 1590 CA PRO A 116 -13.093 -7.616 10.567 1.00 1.53 C ATOM 1591 C PRO A 116 -13.900 -8.571 11.450 1.00 1.75 C ATOM 1592 O PRO A 116 -13.853 -8.501 12.662 1.00 2.12 O ATOM 1593 CB PRO A 116 -11.671 -7.451 11.098 1.00 1.73 C ATOM 1594 CG PRO A 116 -11.722 -6.238 11.972 1.00 1.73 C ATOM 1595 CD PRO A 116 -12.795 -5.338 11.415 1.00 1.45 C ATOM 0 HA PRO A 116 -13.121 -8.036 9.562 1.00 1.53 H new ATOM 0 HB2 PRO A 116 -11.355 -8.330 11.661 1.00 1.73 H new ATOM 0 HB3 PRO A 116 -10.958 -7.321 10.284 1.00 1.73 H new ATOM 0 HG2 PRO A 116 -11.947 -6.514 13.002 1.00 1.73 H new ATOM 0 HG3 PRO A 116 -10.758 -5.729 11.982 1.00 1.73 H new ATOM 0 HD2 PRO A 116 -13.351 -4.841 12.210 1.00 1.45 H new ATOM 0 HD3 PRO A 116 -12.372 -4.556 10.784 1.00 1.45 H new ATOM 1603 N ALA A 117 -14.641 -9.464 10.852 1.00 1.75 N ATOM 1604 CA ALA A 117 -15.451 -10.422 11.658 1.00 2.04 C ATOM 1605 C ALA A 117 -15.329 -11.835 11.080 1.00 2.20 C ATOM 1606 O ALA A 117 -14.530 -12.089 10.201 1.00 2.50 O ATOM 1607 CB ALA A 117 -16.890 -9.919 11.542 1.00 2.16 C ATOM 0 H ALA A 117 -14.721 -9.572 9.841 1.00 1.75 H new ATOM 0 HA ALA A 117 -15.119 -10.473 12.695 1.00 2.04 H new ATOM 0 HB1 ALA A 117 -17.551 -10.573 12.110 1.00 2.16 H new ATOM 0 HB2 ALA A 117 -16.954 -8.906 11.938 1.00 2.16 H new ATOM 0 HB3 ALA A 117 -17.192 -9.919 10.495 1.00 2.16 H new ATOM 1613 N ALA A 118 -16.114 -12.755 11.569 1.00 2.34 N ATOM 1614 CA ALA A 118 -16.042 -14.151 11.049 1.00 2.62 C ATOM 1615 C ALA A 118 -16.795 -14.262 9.720 1.00 2.65 C ATOM 1616 O ALA A 118 -16.412 -15.007 8.840 1.00 2.99 O ATOM 1617 CB ALA A 118 -16.718 -15.006 12.121 1.00 2.87 C ATOM 0 H ALA A 118 -16.802 -12.601 12.306 1.00 2.34 H new ATOM 0 HA ALA A 118 -15.017 -14.469 10.859 1.00 2.62 H new ATOM 0 HB1 ALA A 118 -16.706 -16.052 11.813 1.00 2.87 H new ATOM 0 HB2 ALA A 118 -16.181 -14.899 13.064 1.00 2.87 H new ATOM 0 HB3 ALA A 118 -17.749 -14.678 12.252 1.00 2.87 H new ATOM 1623 N ASP A 119 -17.864 -13.529 9.569 1.00 2.56 N ATOM 1624 CA ASP A 119 -18.639 -13.595 8.300 1.00 2.85 C ATOM 1625 C ASP A 119 -18.514 -12.276 7.532 1.00 2.74 C ATOM 1626 O ASP A 119 -18.709 -12.225 6.333 1.00 3.04 O ATOM 1627 CB ASP A 119 -20.087 -13.829 8.732 1.00 3.15 C ATOM 1628 CG ASP A 119 -20.813 -14.648 7.663 1.00 3.79 C ATOM 1629 OD1 ASP A 119 -21.021 -14.122 6.582 1.00 4.30 O ATOM 1630 OD2 ASP A 119 -21.150 -15.787 7.944 1.00 4.25 O ATOM 0 H ASP A 119 -18.234 -12.887 10.270 1.00 2.56 H new ATOM 0 HA ASP A 119 -18.279 -14.382 7.637 1.00 2.85 H new ATOM 0 HB2 ASP A 119 -20.112 -14.354 9.687 1.00 3.15 H new ATOM 0 HB3 ASP A 119 -20.592 -12.875 8.879 1.00 3.15 H new ATOM 1635 N ASP A 120 -18.193 -11.209 8.211 1.00 2.40 N ATOM 1636 CA ASP A 120 -18.060 -9.897 7.516 1.00 2.34 C ATOM 1637 C ASP A 120 -16.582 -9.553 7.310 1.00 2.00 C ATOM 1638 O ASP A 120 -15.916 -9.101 8.221 1.00 1.74 O ATOM 1639 CB ASP A 120 -18.720 -8.884 8.452 1.00 2.37 C ATOM 1640 CG ASP A 120 -20.206 -8.764 8.108 1.00 2.91 C ATOM 1641 OD1 ASP A 120 -20.509 -8.221 7.058 1.00 3.13 O ATOM 1642 OD2 ASP A 120 -21.016 -9.216 8.901 1.00 3.46 O ATOM 0 H ASP A 120 -18.017 -11.189 9.216 1.00 2.40 H new ATOM 0 HA ASP A 120 -18.524 -9.904 6.530 1.00 2.34 H new ATOM 0 HB2 ASP A 120 -18.600 -9.199 9.489 1.00 2.37 H new ATOM 0 HB3 ASP A 120 -18.234 -7.913 8.355 1.00 2.37 H new ATOM 1647 N PRO A 121 -16.119 -9.779 6.111 1.00 2.14 N ATOM 1648 CA PRO A 121 -14.704 -9.490 5.773 1.00 1.98 C ATOM 1649 C PRO A 121 -14.482 -7.979 5.651 1.00 1.61 C ATOM 1650 O PRO A 121 -15.251 -7.188 6.159 1.00 2.13 O ATOM 1651 CB PRO A 121 -14.510 -10.180 4.426 1.00 2.48 C ATOM 1652 CG PRO A 121 -15.879 -10.257 3.827 1.00 2.80 C ATOM 1653 CD PRO A 121 -16.862 -10.322 4.968 1.00 2.59 C ATOM 0 HA PRO A 121 -14.002 -9.839 6.530 1.00 1.98 H new ATOM 0 HB2 PRO A 121 -13.831 -9.614 3.787 1.00 2.48 H new ATOM 0 HB3 PRO A 121 -14.078 -11.173 4.550 1.00 2.48 H new ATOM 0 HG2 PRO A 121 -16.074 -9.387 3.200 1.00 2.80 H new ATOM 0 HG3 PRO A 121 -15.971 -11.136 3.189 1.00 2.80 H new ATOM 0 HD2 PRO A 121 -17.756 -9.735 4.758 1.00 2.59 H new ATOM 0 HD3 PRO A 121 -17.189 -11.345 5.155 1.00 2.59 H new ATOM 1661 N GLU A 122 -13.437 -7.573 4.981 1.00 0.94 N ATOM 1662 CA GLU A 122 -13.174 -6.112 4.831 1.00 0.67 C ATOM 1663 C GLU A 122 -12.352 -5.844 3.566 1.00 0.66 C ATOM 1664 O GLU A 122 -12.564 -6.451 2.535 1.00 1.06 O ATOM 1665 CB GLU A 122 -12.385 -5.721 6.085 1.00 0.63 C ATOM 1666 CG GLU A 122 -10.952 -6.251 5.989 1.00 0.77 C ATOM 1667 CD GLU A 122 -10.694 -7.236 7.130 1.00 1.48 C ATOM 1668 OE1 GLU A 122 -11.418 -7.178 8.111 1.00 2.04 O ATOM 1669 OE2 GLU A 122 -9.777 -8.031 7.005 1.00 2.10 O ATOM 0 H GLU A 122 -12.757 -8.187 4.533 1.00 0.94 H new ATOM 0 HA GLU A 122 -14.094 -5.535 4.733 1.00 0.67 H new ATOM 0 HB2 GLU A 122 -12.374 -4.637 6.194 1.00 0.63 H new ATOM 0 HB3 GLU A 122 -12.872 -6.126 6.972 1.00 0.63 H new ATOM 0 HG2 GLU A 122 -10.799 -6.743 5.028 1.00 0.77 H new ATOM 0 HG3 GLU A 122 -10.243 -5.425 6.041 1.00 0.77 H new ATOM 1676 N GLY A 123 -11.416 -4.938 3.639 1.00 0.51 N ATOM 1677 CA GLY A 123 -10.575 -4.627 2.449 1.00 0.52 C ATOM 1678 C GLY A 123 -9.313 -3.898 2.911 1.00 0.43 C ATOM 1679 O GLY A 123 -9.316 -3.214 3.915 1.00 0.45 O ATOM 0 H GLY A 123 -11.197 -4.397 4.476 1.00 0.51 H new ATOM 0 HA2 GLY A 123 -10.309 -5.545 1.925 1.00 0.52 H new ATOM 0 HA3 GLY A 123 -11.132 -4.008 1.745 1.00 0.52 H new ATOM 1683 N GLN A 124 -8.232 -4.041 2.197 1.00 0.37 N ATOM 1684 CA GLN A 124 -6.977 -3.355 2.618 1.00 0.33 C ATOM 1685 C GLN A 124 -6.107 -3.020 1.406 1.00 0.31 C ATOM 1686 O GLN A 124 -6.579 -2.940 0.287 1.00 0.32 O ATOM 1687 CB GLN A 124 -6.265 -4.365 3.519 1.00 0.33 C ATOM 1688 CG GLN A 124 -5.738 -5.524 2.671 1.00 0.40 C ATOM 1689 CD GLN A 124 -4.827 -6.408 3.525 1.00 0.94 C ATOM 1690 OE1 GLN A 124 -4.491 -6.058 4.639 1.00 1.56 O ATOM 1691 NE2 GLN A 124 -4.410 -7.549 3.047 1.00 1.72 N ATOM 0 H GLN A 124 -8.162 -4.599 1.346 1.00 0.37 H new ATOM 0 HA GLN A 124 -7.179 -2.412 3.126 1.00 0.33 H new ATOM 0 HB2 GLN A 124 -5.442 -3.882 4.045 1.00 0.33 H new ATOM 0 HB3 GLN A 124 -6.952 -4.739 4.278 1.00 0.33 H new ATOM 0 HG2 GLN A 124 -6.570 -6.111 2.281 1.00 0.40 H new ATOM 0 HG3 GLN A 124 -5.188 -5.139 1.812 1.00 0.40 H new ATOM 0 HE21 GLN A 124 -4.692 -7.844 2.112 1.00 1.72 H new ATOM 0 HE22 GLN A 124 -3.803 -8.146 3.609 1.00 1.72 H new ATOM 1700 N ILE A 125 -4.833 -2.838 1.626 1.00 0.31 N ATOM 1701 CA ILE A 125 -3.911 -2.518 0.500 1.00 0.30 C ATOM 1702 C ILE A 125 -2.872 -3.633 0.378 1.00 0.28 C ATOM 1703 O ILE A 125 -2.423 -4.185 1.365 1.00 0.30 O ATOM 1704 CB ILE A 125 -3.250 -1.189 0.888 1.00 0.34 C ATOM 1705 CG1 ILE A 125 -4.148 -0.029 0.451 1.00 0.42 C ATOM 1706 CG2 ILE A 125 -1.886 -1.059 0.199 1.00 0.33 C ATOM 1707 CD1 ILE A 125 -3.739 1.244 1.195 1.00 0.51 C ATOM 0 H ILE A 125 -4.389 -2.898 2.543 1.00 0.31 H new ATOM 0 HA ILE A 125 -4.420 -2.438 -0.461 1.00 0.30 H new ATOM 0 HB ILE A 125 -3.110 -1.163 1.969 1.00 0.34 H new ATOM 0 HG12 ILE A 125 -4.064 0.124 -0.625 1.00 0.42 H new ATOM 0 HG13 ILE A 125 -5.192 -0.265 0.659 1.00 0.42 H new ATOM 0 HG21 ILE A 125 -1.425 -0.112 0.481 1.00 0.33 H new ATOM 0 HG22 ILE A 125 -1.242 -1.882 0.508 1.00 0.33 H new ATOM 0 HG23 ILE A 125 -2.020 -1.090 -0.882 1.00 0.33 H new ATOM 0 HD11 ILE A 125 -4.379 2.069 0.883 1.00 0.51 H new ATOM 0 HD12 ILE A 125 -3.845 1.088 2.269 1.00 0.51 H new ATOM 0 HD13 ILE A 125 -2.701 1.483 0.964 1.00 0.51 H new ATOM 1719 N ALA A 126 -2.503 -3.981 -0.823 1.00 0.28 N ATOM 1720 CA ALA A 126 -1.513 -5.077 -0.999 1.00 0.29 C ATOM 1721 C ALA A 126 -0.220 -4.567 -1.641 1.00 0.29 C ATOM 1722 O ALA A 126 -0.214 -4.048 -2.740 1.00 0.32 O ATOM 1723 CB ALA A 126 -2.202 -6.081 -1.923 1.00 0.35 C ATOM 0 H ALA A 126 -2.843 -3.556 -1.686 1.00 0.28 H new ATOM 0 HA ALA A 126 -1.226 -5.513 -0.042 1.00 0.29 H new ATOM 0 HB1 ALA A 126 -1.536 -6.925 -2.105 1.00 0.35 H new ATOM 0 HB2 ALA A 126 -3.119 -6.437 -1.454 1.00 0.35 H new ATOM 0 HB3 ALA A 126 -2.442 -5.598 -2.870 1.00 0.35 H new ATOM 1729 N PHE A 127 0.878 -4.752 -0.967 1.00 0.30 N ATOM 1730 CA PHE A 127 2.195 -4.331 -1.520 1.00 0.33 C ATOM 1731 C PHE A 127 3.055 -5.588 -1.650 1.00 0.38 C ATOM 1732 O PHE A 127 3.692 -6.015 -0.712 1.00 0.49 O ATOM 1733 CB PHE A 127 2.784 -3.371 -0.481 1.00 0.34 C ATOM 1734 CG PHE A 127 2.367 -1.951 -0.794 1.00 0.33 C ATOM 1735 CD1 PHE A 127 1.011 -1.626 -0.916 1.00 1.27 C ATOM 1736 CD2 PHE A 127 3.341 -0.957 -0.962 1.00 1.20 C ATOM 1737 CE1 PHE A 127 0.628 -0.310 -1.206 1.00 1.28 C ATOM 1738 CE2 PHE A 127 2.957 0.358 -1.251 1.00 1.20 C ATOM 1739 CZ PHE A 127 1.601 0.681 -1.374 1.00 0.36 C ATOM 0 H PHE A 127 0.920 -5.183 -0.043 1.00 0.30 H new ATOM 0 HA PHE A 127 2.132 -3.847 -2.495 1.00 0.33 H new ATOM 0 HB2 PHE A 127 2.443 -3.648 0.517 1.00 0.34 H new ATOM 0 HB3 PHE A 127 3.871 -3.447 -0.478 1.00 0.34 H new ATOM 0 HD1 PHE A 127 0.259 -2.391 -0.786 1.00 1.27 H new ATOM 0 HD2 PHE A 127 4.388 -1.206 -0.868 1.00 1.20 H new ATOM 0 HE1 PHE A 127 -0.419 -0.061 -1.300 1.00 1.28 H new ATOM 0 HE2 PHE A 127 3.708 1.124 -1.379 1.00 1.20 H new ATOM 0 HZ PHE A 127 1.306 1.695 -1.599 1.00 0.36 H new ATOM 1749 N GLN A 128 3.040 -6.217 -2.790 1.00 0.40 N ATOM 1750 CA GLN A 128 3.811 -7.483 -2.939 1.00 0.47 C ATOM 1751 C GLN A 128 5.257 -7.233 -3.362 1.00 0.38 C ATOM 1752 O GLN A 128 5.536 -6.782 -4.454 1.00 0.52 O ATOM 1753 CB GLN A 128 3.070 -8.263 -4.024 1.00 0.65 C ATOM 1754 CG GLN A 128 1.646 -8.563 -3.552 1.00 0.84 C ATOM 1755 CD GLN A 128 1.266 -9.991 -3.948 1.00 1.27 C ATOM 1756 OE1 GLN A 128 1.632 -10.459 -5.008 1.00 1.88 O ATOM 1757 NE2 GLN A 128 0.540 -10.709 -3.135 1.00 2.02 N ATOM 0 H GLN A 128 2.532 -5.913 -3.620 1.00 0.40 H new ATOM 0 HA GLN A 128 3.870 -8.020 -1.992 1.00 0.47 H new ATOM 0 HB2 GLN A 128 3.044 -7.686 -4.949 1.00 0.65 H new ATOM 0 HB3 GLN A 128 3.596 -9.192 -4.242 1.00 0.65 H new ATOM 0 HG2 GLN A 128 1.578 -8.444 -2.471 1.00 0.84 H new ATOM 0 HG3 GLN A 128 0.948 -7.853 -3.996 1.00 0.84 H new ATOM 0 HE21 GLN A 128 0.232 -10.317 -2.245 1.00 2.02 H new ATOM 0 HE22 GLN A 128 0.280 -11.662 -3.390 1.00 2.02 H new ATOM 1766 N LEU A 129 6.176 -7.564 -2.498 1.00 0.35 N ATOM 1767 CA LEU A 129 7.618 -7.400 -2.822 1.00 0.36 C ATOM 1768 C LEU A 129 8.238 -8.795 -2.964 1.00 0.40 C ATOM 1769 O LEU A 129 9.309 -9.075 -2.461 1.00 0.65 O ATOM 1770 CB LEU A 129 8.224 -6.647 -1.632 1.00 0.42 C ATOM 1771 CG LEU A 129 7.267 -5.543 -1.173 1.00 0.42 C ATOM 1772 CD1 LEU A 129 7.947 -4.688 -0.103 1.00 0.52 C ATOM 1773 CD2 LEU A 129 6.892 -4.661 -2.366 1.00 0.44 C ATOM 0 H LEU A 129 5.986 -7.945 -1.571 1.00 0.35 H new ATOM 0 HA LEU A 129 7.793 -6.855 -3.750 1.00 0.36 H new ATOM 0 HB2 LEU A 129 8.415 -7.339 -0.812 1.00 0.42 H new ATOM 0 HB3 LEU A 129 9.184 -6.214 -1.915 1.00 0.42 H new ATOM 0 HG LEU A 129 6.366 -5.996 -0.758 1.00 0.42 H new ATOM 0 HD11 LEU A 129 7.265 -3.903 0.223 1.00 0.52 H new ATOM 0 HD12 LEU A 129 8.213 -5.314 0.749 1.00 0.52 H new ATOM 0 HD13 LEU A 129 8.849 -4.237 -0.517 1.00 0.52 H new ATOM 0 HD21 LEU A 129 6.211 -3.876 -2.038 1.00 0.44 H new ATOM 0 HD22 LEU A 129 7.793 -4.210 -2.782 1.00 0.44 H new ATOM 0 HD23 LEU A 129 6.405 -5.269 -3.129 1.00 0.44 H new ATOM 1785 N GLY A 130 7.546 -9.681 -3.630 1.00 0.58 N ATOM 1786 CA GLY A 130 8.062 -11.069 -3.799 1.00 0.66 C ATOM 1787 C GLY A 130 8.734 -11.222 -5.166 1.00 0.62 C ATOM 1788 O GLY A 130 8.080 -11.273 -6.189 1.00 0.98 O ATOM 0 H GLY A 130 6.642 -9.501 -4.066 1.00 0.58 H new ATOM 0 HA2 GLY A 130 8.776 -11.298 -3.008 1.00 0.66 H new ATOM 0 HA3 GLY A 130 7.243 -11.783 -3.706 1.00 0.66 H new ATOM 1792 N GLY A 131 10.036 -11.307 -5.187 1.00 0.76 N ATOM 1793 CA GLY A 131 10.757 -11.470 -6.479 1.00 0.94 C ATOM 1794 C GLY A 131 10.498 -10.256 -7.376 1.00 0.79 C ATOM 1795 O GLY A 131 9.589 -10.252 -8.182 1.00 0.94 O ATOM 0 H GLY A 131 10.633 -11.270 -4.361 1.00 0.76 H new ATOM 0 HA2 GLY A 131 11.826 -11.578 -6.298 1.00 0.94 H new ATOM 0 HA3 GLY A 131 10.425 -12.380 -6.979 1.00 0.94 H new ATOM 1799 N PHE A 132 11.293 -9.227 -7.247 1.00 0.70 N ATOM 1800 CA PHE A 132 11.090 -8.017 -8.099 1.00 0.61 C ATOM 1801 C PHE A 132 12.436 -7.371 -8.442 1.00 0.62 C ATOM 1802 O PHE A 132 12.810 -7.278 -9.594 1.00 0.71 O ATOM 1803 CB PHE A 132 10.228 -7.072 -7.262 1.00 0.55 C ATOM 1804 CG PHE A 132 8.771 -7.337 -7.560 1.00 0.53 C ATOM 1805 CD1 PHE A 132 8.309 -7.276 -8.880 1.00 1.26 C ATOM 1806 CD2 PHE A 132 7.885 -7.651 -6.522 1.00 1.37 C ATOM 1807 CE1 PHE A 132 6.961 -7.525 -9.163 1.00 1.27 C ATOM 1808 CE2 PHE A 132 6.536 -7.903 -6.806 1.00 1.38 C ATOM 1809 CZ PHE A 132 6.075 -7.840 -8.126 1.00 0.59 C ATOM 0 H PHE A 132 12.072 -9.171 -6.591 1.00 0.70 H new ATOM 0 HA PHE A 132 10.612 -8.261 -9.048 1.00 0.61 H new ATOM 0 HB2 PHE A 132 10.428 -7.221 -6.201 1.00 0.55 H new ATOM 0 HB3 PHE A 132 10.476 -6.035 -7.490 1.00 0.55 H new ATOM 0 HD1 PHE A 132 8.993 -7.037 -9.681 1.00 1.26 H new ATOM 0 HD2 PHE A 132 8.241 -7.699 -5.503 1.00 1.37 H new ATOM 0 HE1 PHE A 132 6.605 -7.474 -10.181 1.00 1.27 H new ATOM 0 HE2 PHE A 132 5.852 -8.146 -6.006 1.00 1.38 H new ATOM 0 HZ PHE A 132 5.035 -8.034 -8.345 1.00 0.59 H new ATOM 1819 N SER A 133 13.170 -6.922 -7.459 1.00 0.56 N ATOM 1820 CA SER A 133 14.487 -6.286 -7.755 1.00 0.61 C ATOM 1821 C SER A 133 15.593 -7.343 -7.782 1.00 0.68 C ATOM 1822 O SER A 133 15.350 -8.515 -7.580 1.00 0.86 O ATOM 1823 CB SER A 133 14.721 -5.301 -6.610 1.00 0.58 C ATOM 1824 OG SER A 133 16.118 -5.175 -6.379 1.00 0.78 O ATOM 0 H SER A 133 12.918 -6.967 -6.472 1.00 0.56 H new ATOM 0 HA SER A 133 14.494 -5.792 -8.727 1.00 0.61 H new ATOM 0 HB2 SER A 133 14.292 -4.330 -6.857 1.00 0.58 H new ATOM 0 HB3 SER A 133 14.221 -5.650 -5.706 1.00 0.58 H new ATOM 0 HG SER A 133 16.318 -5.405 -5.447 1.00 0.78 H new ATOM 1830 N ALA A 134 16.807 -6.937 -8.035 1.00 0.80 N ATOM 1831 CA ALA A 134 17.929 -7.918 -8.075 1.00 0.86 C ATOM 1832 C ALA A 134 18.625 -7.972 -6.714 1.00 0.74 C ATOM 1833 O ALA A 134 18.319 -8.804 -5.882 1.00 0.78 O ATOM 1834 CB ALA A 134 18.883 -7.386 -9.145 1.00 1.02 C ATOM 0 H ALA A 134 17.071 -5.968 -8.216 1.00 0.80 H new ATOM 0 HA ALA A 134 17.589 -8.929 -8.301 1.00 0.86 H new ATOM 0 HB1 ALA A 134 19.738 -8.055 -9.235 1.00 1.02 H new ATOM 0 HB2 ALA A 134 18.363 -7.331 -10.101 1.00 1.02 H new ATOM 0 HB3 ALA A 134 19.229 -6.392 -8.862 1.00 1.02 H new ATOM 1840 N ASP A 135 19.556 -7.089 -6.477 1.00 0.74 N ATOM 1841 CA ASP A 135 20.264 -7.089 -5.166 1.00 0.68 C ATOM 1842 C ASP A 135 19.319 -6.609 -4.061 1.00 0.64 C ATOM 1843 O ASP A 135 18.225 -6.149 -4.323 1.00 0.75 O ATOM 1844 CB ASP A 135 21.429 -6.113 -5.342 1.00 0.74 C ATOM 1845 CG ASP A 135 22.531 -6.778 -6.169 1.00 0.87 C ATOM 1846 OD1 ASP A 135 22.310 -7.884 -6.634 1.00 1.39 O ATOM 1847 OD2 ASP A 135 23.577 -6.170 -6.324 1.00 1.46 O ATOM 0 H ASP A 135 19.857 -6.369 -7.134 1.00 0.74 H new ATOM 0 HA ASP A 135 20.610 -8.083 -4.881 1.00 0.68 H new ATOM 0 HB2 ASP A 135 21.085 -5.205 -5.838 1.00 0.74 H new ATOM 0 HB3 ASP A 135 21.819 -5.816 -4.368 1.00 0.74 H new ATOM 1852 N ALA A 136 19.730 -6.719 -2.829 1.00 0.57 N ATOM 1853 CA ALA A 136 18.854 -6.278 -1.707 1.00 0.56 C ATOM 1854 C ALA A 136 18.496 -4.796 -1.849 1.00 0.50 C ATOM 1855 O ALA A 136 19.338 -3.966 -2.131 1.00 0.54 O ATOM 1856 CB ALA A 136 19.686 -6.507 -0.446 1.00 0.64 C ATOM 0 H ALA A 136 20.636 -7.096 -2.550 1.00 0.57 H new ATOM 0 HA ALA A 136 17.912 -6.825 -1.686 1.00 0.56 H new ATOM 0 HB1 ALA A 136 19.110 -6.206 0.429 1.00 0.64 H new ATOM 0 HB2 ALA A 136 19.942 -7.563 -0.366 1.00 0.64 H new ATOM 0 HB3 ALA A 136 20.600 -5.915 -0.501 1.00 0.64 H new ATOM 1862 N TRP A 137 17.252 -4.458 -1.641 1.00 0.47 N ATOM 1863 CA TRP A 137 16.836 -3.030 -1.747 1.00 0.46 C ATOM 1864 C TRP A 137 15.804 -2.711 -0.670 1.00 0.43 C ATOM 1865 O TRP A 137 15.726 -3.383 0.339 1.00 0.45 O ATOM 1866 CB TRP A 137 16.257 -2.868 -3.154 1.00 0.46 C ATOM 1867 CG TRP A 137 14.873 -3.434 -3.233 1.00 0.39 C ATOM 1868 CD1 TRP A 137 13.732 -2.711 -3.154 1.00 0.38 C ATOM 1869 CD2 TRP A 137 14.462 -4.819 -3.430 1.00 0.37 C ATOM 1870 NE1 TRP A 137 12.652 -3.565 -3.290 1.00 0.35 N ATOM 1871 CE2 TRP A 137 13.048 -4.869 -3.461 1.00 0.33 C ATOM 1872 CE3 TRP A 137 15.166 -6.025 -3.580 1.00 0.45 C ATOM 1873 CZ2 TRP A 137 12.359 -6.067 -3.639 1.00 0.35 C ATOM 1874 CZ3 TRP A 137 14.473 -7.233 -3.757 1.00 0.47 C ATOM 1875 CH2 TRP A 137 13.073 -7.254 -3.786 1.00 0.41 C ATOM 0 H TRP A 137 16.505 -5.110 -1.402 1.00 0.47 H new ATOM 0 HA TRP A 137 17.667 -2.342 -1.594 1.00 0.46 H new ATOM 0 HB2 TRP A 137 16.238 -1.812 -3.424 1.00 0.46 H new ATOM 0 HB3 TRP A 137 16.901 -3.370 -3.876 1.00 0.46 H new ATOM 0 HD1 TRP A 137 13.674 -1.642 -3.009 1.00 0.38 H new ATOM 0 HE1 TRP A 137 11.678 -3.262 -3.266 1.00 0.35 H new ATOM 0 HE3 TRP A 137 16.246 -6.023 -3.559 1.00 0.45 H new ATOM 0 HZ2 TRP A 137 11.279 -6.075 -3.663 1.00 0.35 H new ATOM 0 HZ3 TRP A 137 15.024 -8.154 -3.872 1.00 0.47 H new ATOM 0 HH2 TRP A 137 12.548 -8.188 -3.922 1.00 0.41 H new ATOM 1886 N THR A 138 15.034 -1.679 -0.848 1.00 0.46 N ATOM 1887 CA THR A 138 14.047 -1.326 0.206 1.00 0.45 C ATOM 1888 C THR A 138 12.937 -0.428 -0.363 1.00 0.42 C ATOM 1889 O THR A 138 13.021 0.058 -1.473 1.00 0.45 O ATOM 1890 CB THR A 138 14.910 -0.599 1.254 1.00 0.50 C ATOM 1891 OG1 THR A 138 15.024 -1.415 2.409 1.00 0.60 O ATOM 1892 CG2 THR A 138 14.295 0.751 1.649 1.00 0.77 C ATOM 0 H THR A 138 15.043 -1.071 -1.667 1.00 0.46 H new ATOM 0 HA THR A 138 13.521 -2.184 0.624 1.00 0.45 H new ATOM 0 HB THR A 138 15.891 -0.412 0.818 1.00 0.50 H new ATOM 0 HG1 THR A 138 14.242 -1.279 2.984 1.00 0.60 H new ATOM 0 HG21 THR A 138 14.930 1.237 2.390 1.00 0.77 H new ATOM 0 HG22 THR A 138 14.215 1.386 0.767 1.00 0.77 H new ATOM 0 HG23 THR A 138 13.303 0.589 2.071 1.00 0.77 H new ATOM 1900 N LEU A 139 11.908 -0.198 0.407 1.00 0.39 N ATOM 1901 CA LEU A 139 10.794 0.680 -0.057 1.00 0.37 C ATOM 1902 C LEU A 139 10.550 1.772 0.985 1.00 0.41 C ATOM 1903 O LEU A 139 10.442 1.497 2.163 1.00 0.68 O ATOM 1904 CB LEU A 139 9.572 -0.233 -0.170 1.00 0.29 C ATOM 1905 CG LEU A 139 9.498 -0.819 -1.580 1.00 0.38 C ATOM 1906 CD1 LEU A 139 10.264 -2.143 -1.625 1.00 0.38 C ATOM 1907 CD2 LEU A 139 8.034 -1.062 -1.951 1.00 0.46 C ATOM 0 H LEU A 139 11.790 -0.583 1.344 1.00 0.39 H new ATOM 0 HA LEU A 139 11.013 1.167 -1.007 1.00 0.37 H new ATOM 0 HB2 LEU A 139 9.636 -1.035 0.565 1.00 0.29 H new ATOM 0 HB3 LEU A 139 8.664 0.329 0.049 1.00 0.29 H new ATOM 0 HG LEU A 139 9.943 -0.121 -2.289 1.00 0.38 H new ATOM 0 HD11 LEU A 139 10.211 -2.560 -2.631 1.00 0.38 H new ATOM 0 HD12 LEU A 139 11.307 -1.969 -1.359 1.00 0.38 H new ATOM 0 HD13 LEU A 139 9.821 -2.844 -0.918 1.00 0.38 H new ATOM 0 HD21 LEU A 139 7.978 -1.480 -2.956 1.00 0.46 H new ATOM 0 HD22 LEU A 139 7.590 -1.761 -1.242 1.00 0.46 H new ATOM 0 HD23 LEU A 139 7.489 -0.118 -1.919 1.00 0.46 H new ATOM 1919 N CYS A 140 10.479 3.009 0.575 1.00 0.44 N ATOM 1920 CA CYS A 140 10.262 4.098 1.570 1.00 0.42 C ATOM 1921 C CYS A 140 9.077 4.987 1.179 1.00 0.36 C ATOM 1922 O CYS A 140 9.215 5.914 0.405 1.00 0.39 O ATOM 1923 CB CYS A 140 11.561 4.905 1.553 1.00 0.57 C ATOM 1924 SG CYS A 140 12.824 4.035 2.516 1.00 0.88 S ATOM 0 H CYS A 140 10.561 3.311 -0.396 1.00 0.44 H new ATOM 0 HA CYS A 140 10.028 3.699 2.557 1.00 0.42 H new ATOM 0 HB2 CYS A 140 11.902 5.044 0.527 1.00 0.57 H new ATOM 0 HB3 CYS A 140 11.391 5.898 1.969 1.00 0.57 H new ATOM 1929 N LEU A 141 7.919 4.729 1.727 1.00 0.36 N ATOM 1930 CA LEU A 141 6.738 5.581 1.405 1.00 0.35 C ATOM 1931 C LEU A 141 6.669 6.738 2.408 1.00 0.44 C ATOM 1932 O LEU A 141 7.536 6.890 3.245 1.00 0.53 O ATOM 1933 CB LEU A 141 5.518 4.665 1.547 1.00 0.35 C ATOM 1934 CG LEU A 141 5.756 3.357 0.784 1.00 0.28 C ATOM 1935 CD1 LEU A 141 5.450 2.173 1.701 1.00 0.34 C ATOM 1936 CD2 LEU A 141 4.835 3.296 -0.440 1.00 0.26 C ATOM 0 H LEU A 141 7.741 3.967 2.382 1.00 0.36 H new ATOM 0 HA LEU A 141 6.789 6.011 0.405 1.00 0.35 H new ATOM 0 HB2 LEU A 141 5.332 4.453 2.600 1.00 0.35 H new ATOM 0 HB3 LEU A 141 4.630 5.165 1.161 1.00 0.35 H new ATOM 0 HG LEU A 141 6.795 3.315 0.459 1.00 0.28 H new ATOM 0 HD11 LEU A 141 5.618 1.241 1.161 1.00 0.34 H new ATOM 0 HD12 LEU A 141 6.103 2.210 2.573 1.00 0.34 H new ATOM 0 HD13 LEU A 141 4.410 2.222 2.024 1.00 0.34 H new ATOM 0 HD21 LEU A 141 5.008 2.365 -0.979 1.00 0.26 H new ATOM 0 HD22 LEU A 141 3.795 3.340 -0.116 1.00 0.26 H new ATOM 0 HD23 LEU A 141 5.046 4.140 -1.097 1.00 0.26 H new ATOM 1948 N ASP A 142 5.652 7.554 2.339 1.00 0.49 N ATOM 1949 CA ASP A 142 5.550 8.696 3.304 1.00 0.63 C ATOM 1950 C ASP A 142 4.413 9.642 2.906 1.00 0.82 C ATOM 1951 O ASP A 142 4.572 10.847 2.891 1.00 1.67 O ATOM 1952 CB ASP A 142 6.896 9.423 3.223 1.00 0.65 C ATOM 1953 CG ASP A 142 7.365 9.490 1.767 1.00 0.84 C ATOM 1954 OD1 ASP A 142 6.528 9.363 0.890 1.00 1.42 O ATOM 1955 OD2 ASP A 142 8.553 9.667 1.556 1.00 1.43 O ATOM 0 H ASP A 142 4.891 7.484 1.663 1.00 0.49 H new ATOM 0 HA ASP A 142 5.334 8.347 4.314 1.00 0.63 H new ATOM 0 HB2 ASP A 142 6.801 10.430 3.630 1.00 0.65 H new ATOM 0 HB3 ASP A 142 7.637 8.903 3.829 1.00 0.65 H new ATOM 1960 N ASP A 143 3.268 9.108 2.590 1.00 0.60 N ATOM 1961 CA ASP A 143 2.116 9.971 2.197 1.00 0.73 C ATOM 1962 C ASP A 143 0.995 9.099 1.637 1.00 0.60 C ATOM 1963 O ASP A 143 0.723 9.110 0.455 1.00 0.79 O ATOM 1964 CB ASP A 143 2.657 10.905 1.110 1.00 0.98 C ATOM 1965 CG ASP A 143 2.428 12.360 1.524 1.00 1.32 C ATOM 1966 OD1 ASP A 143 1.282 12.779 1.534 1.00 1.82 O ATOM 1967 OD2 ASP A 143 3.402 13.030 1.825 1.00 1.94 O ATOM 0 H ASP A 143 3.077 8.106 2.586 1.00 0.60 H new ATOM 0 HA ASP A 143 1.711 10.531 3.040 1.00 0.73 H new ATOM 0 HB2 ASP A 143 3.721 10.723 0.956 1.00 0.98 H new ATOM 0 HB3 ASP A 143 2.159 10.703 0.162 1.00 0.98 H new ATOM 1972 N VAL A 144 0.352 8.331 2.472 1.00 0.55 N ATOM 1973 CA VAL A 144 -0.739 7.445 1.973 1.00 0.49 C ATOM 1974 C VAL A 144 -2.109 8.009 2.356 1.00 0.49 C ATOM 1975 O VAL A 144 -2.446 8.118 3.519 1.00 0.63 O ATOM 1976 CB VAL A 144 -0.513 6.085 2.645 1.00 0.53 C ATOM 1977 CG1 VAL A 144 -1.089 4.986 1.753 1.00 0.50 C ATOM 1978 CG2 VAL A 144 0.987 5.831 2.839 1.00 0.64 C ATOM 0 H VAL A 144 0.533 8.278 3.474 1.00 0.55 H new ATOM 0 HA VAL A 144 -0.722 7.364 0.886 1.00 0.49 H new ATOM 0 HB VAL A 144 -1.006 6.083 3.617 1.00 0.53 H new ATOM 0 HG11 VAL A 144 -0.932 4.016 2.224 1.00 0.50 H new ATOM 0 HG12 VAL A 144 -2.157 5.153 1.613 1.00 0.50 H new ATOM 0 HG13 VAL A 144 -0.589 5.004 0.785 1.00 0.50 H new ATOM 0 HG21 VAL A 144 1.133 4.862 3.317 1.00 0.64 H new ATOM 0 HG22 VAL A 144 1.485 5.836 1.870 1.00 0.64 H new ATOM 0 HG23 VAL A 144 1.410 6.614 3.469 1.00 0.64 H new ATOM 1988 N ALA A 145 -2.904 8.364 1.384 1.00 0.42 N ATOM 1989 CA ALA A 145 -4.256 8.915 1.684 1.00 0.44 C ATOM 1990 C ALA A 145 -5.275 8.375 0.676 1.00 0.39 C ATOM 1991 O ALA A 145 -5.044 8.383 -0.518 1.00 0.39 O ATOM 1992 CB ALA A 145 -4.109 10.430 1.540 1.00 0.49 C ATOM 0 H ALA A 145 -2.675 8.296 0.392 1.00 0.42 H new ATOM 0 HA ALA A 145 -4.608 8.635 2.677 1.00 0.44 H new ATOM 0 HB1 ALA A 145 -5.066 10.910 1.746 1.00 0.49 H new ATOM 0 HB2 ALA A 145 -3.362 10.792 2.247 1.00 0.49 H new ATOM 0 HB3 ALA A 145 -3.794 10.670 0.525 1.00 0.49 H new ATOM 1998 N LEU A 146 -6.397 7.903 1.146 1.00 0.45 N ATOM 1999 CA LEU A 146 -7.425 7.360 0.212 1.00 0.45 C ATOM 2000 C LEU A 146 -8.802 7.948 0.536 1.00 0.53 C ATOM 2001 O LEU A 146 -9.230 7.963 1.673 1.00 0.78 O ATOM 2002 CB LEU A 146 -7.416 5.848 0.449 1.00 0.51 C ATOM 2003 CG LEU A 146 -8.463 5.184 -0.447 1.00 0.56 C ATOM 2004 CD1 LEU A 146 -7.998 5.240 -1.904 1.00 0.59 C ATOM 2005 CD2 LEU A 146 -8.643 3.723 -0.027 1.00 0.72 C ATOM 0 H LEU A 146 -6.647 7.870 2.134 1.00 0.45 H new ATOM 0 HA LEU A 146 -7.212 7.611 -0.827 1.00 0.45 H new ATOM 0 HB2 LEU A 146 -6.428 5.442 0.234 1.00 0.51 H new ATOM 0 HB3 LEU A 146 -7.629 5.632 1.496 1.00 0.51 H new ATOM 0 HG LEU A 146 -9.412 5.711 -0.347 1.00 0.56 H new ATOM 0 HD11 LEU A 146 -8.744 4.767 -2.542 1.00 0.59 H new ATOM 0 HD12 LEU A 146 -7.869 6.280 -2.205 1.00 0.59 H new ATOM 0 HD13 LEU A 146 -7.049 4.713 -2.003 1.00 0.59 H new ATOM 0 HD21 LEU A 146 -9.389 3.250 -0.666 1.00 0.72 H new ATOM 0 HD22 LEU A 146 -7.694 3.196 -0.126 1.00 0.72 H new ATOM 0 HD23 LEU A 146 -8.974 3.681 1.011 1.00 0.72 H new ATOM 2017 N ASP A 147 -9.496 8.434 -0.456 1.00 0.52 N ATOM 2018 CA ASP A 147 -10.843 9.021 -0.206 1.00 0.63 C ATOM 2019 C ASP A 147 -11.695 8.955 -1.476 1.00 0.52 C ATOM 2020 O ASP A 147 -11.184 8.851 -2.574 1.00 0.64 O ATOM 2021 CB ASP A 147 -10.575 10.475 0.182 1.00 0.90 C ATOM 2022 CG ASP A 147 -11.373 10.822 1.440 1.00 1.22 C ATOM 2023 OD1 ASP A 147 -12.588 10.729 1.390 1.00 1.72 O ATOM 2024 OD2 ASP A 147 -10.755 11.173 2.431 1.00 1.82 O ATOM 0 H ASP A 147 -9.189 8.450 -1.429 1.00 0.52 H new ATOM 0 HA ASP A 147 -11.388 8.484 0.570 1.00 0.63 H new ATOM 0 HB2 ASP A 147 -9.510 10.625 0.361 1.00 0.90 H new ATOM 0 HB3 ASP A 147 -10.857 11.139 -0.635 1.00 0.90 H new ATOM 2029 N SER A 148 -12.990 9.018 -1.336 1.00 0.68 N ATOM 2030 CA SER A 148 -13.874 8.962 -2.535 1.00 0.64 C ATOM 2031 C SER A 148 -14.234 10.379 -2.990 1.00 0.85 C ATOM 2032 O SER A 148 -14.299 11.299 -2.199 1.00 1.28 O ATOM 2033 CB SER A 148 -15.119 8.206 -2.076 1.00 0.71 C ATOM 2034 OG SER A 148 -15.942 9.074 -1.308 1.00 1.25 O ATOM 0 H SER A 148 -13.475 9.106 -0.443 1.00 0.68 H new ATOM 0 HA SER A 148 -13.394 8.471 -3.382 1.00 0.64 H new ATOM 0 HB2 SER A 148 -15.670 7.833 -2.939 1.00 0.71 H new ATOM 0 HB3 SER A 148 -14.833 7.338 -1.482 1.00 0.71 H new ATOM 0 HG SER A 148 -16.742 8.591 -1.014 1.00 1.25 H new ATOM 2040 N GLU A 149 -14.461 10.561 -4.263 1.00 0.99 N ATOM 2041 CA GLU A 149 -14.808 11.919 -4.775 1.00 1.24 C ATOM 2042 C GLU A 149 -16.117 12.408 -4.152 1.00 1.83 C ATOM 2043 O GLU A 149 -17.192 12.118 -4.637 1.00 2.27 O ATOM 2044 CB GLU A 149 -14.970 11.745 -6.285 1.00 1.76 C ATOM 2045 CG GLU A 149 -15.105 13.119 -6.946 1.00 2.37 C ATOM 2046 CD GLU A 149 -16.097 13.035 -8.108 1.00 3.19 C ATOM 2047 OE1 GLU A 149 -17.138 12.422 -7.931 1.00 3.74 O ATOM 2048 OE2 GLU A 149 -15.800 13.585 -9.155 1.00 3.76 O ATOM 0 H GLU A 149 -14.421 9.828 -4.971 1.00 0.99 H new ATOM 0 HA GLU A 149 -14.045 12.656 -4.526 1.00 1.24 H new ATOM 0 HB2 GLU A 149 -14.110 11.215 -6.695 1.00 1.76 H new ATOM 0 HB3 GLU A 149 -15.850 11.138 -6.500 1.00 1.76 H new ATOM 0 HG2 GLU A 149 -15.446 13.853 -6.216 1.00 2.37 H new ATOM 0 HG3 GLU A 149 -14.134 13.457 -7.308 1.00 2.37 H new ATOM 2055 N VAL A 150 -16.035 13.152 -3.084 1.00 2.52 N ATOM 2056 CA VAL A 150 -17.277 13.662 -2.438 1.00 3.51 C ATOM 2057 C VAL A 150 -17.414 15.168 -2.682 1.00 4.32 C ATOM 2058 O VAL A 150 -18.108 15.862 -1.967 1.00 4.77 O ATOM 2059 CB VAL A 150 -17.094 13.373 -0.949 1.00 4.05 C ATOM 2060 CG1 VAL A 150 -15.822 14.058 -0.448 1.00 4.37 C ATOM 2061 CG2 VAL A 150 -18.302 13.908 -0.176 1.00 5.11 C ATOM 0 H VAL A 150 -15.164 13.428 -2.631 1.00 2.52 H new ATOM 0 HA VAL A 150 -18.176 13.192 -2.835 1.00 3.51 H new ATOM 0 HB VAL A 150 -17.010 12.297 -0.794 1.00 4.05 H new ATOM 0 HG11 VAL A 150 -15.692 13.852 0.614 1.00 4.37 H new ATOM 0 HG12 VAL A 150 -14.962 13.677 -1.000 1.00 4.37 H new ATOM 0 HG13 VAL A 150 -15.904 15.134 -0.601 1.00 4.37 H new ATOM 0 HG21 VAL A 150 -18.174 13.703 0.887 1.00 5.11 H new ATOM 0 HG22 VAL A 150 -18.385 14.984 -0.331 1.00 5.11 H new ATOM 0 HG23 VAL A 150 -19.208 13.419 -0.533 1.00 5.11 H new ATOM 2071 N GLU A 151 -16.750 15.674 -3.686 1.00 4.92 N ATOM 2072 CA GLU A 151 -16.828 17.131 -3.981 1.00 5.96 C ATOM 2073 C GLU A 151 -17.811 17.394 -5.126 1.00 6.64 C ATOM 2074 O GLU A 151 -17.640 16.912 -6.228 1.00 6.79 O ATOM 2075 CB GLU A 151 -15.408 17.518 -4.391 1.00 6.64 C ATOM 2076 CG GLU A 151 -15.034 16.809 -5.694 1.00 7.13 C ATOM 2077 CD GLU A 151 -15.286 17.743 -6.879 1.00 7.82 C ATOM 2078 OE1 GLU A 151 -15.406 18.936 -6.654 1.00 8.26 O ATOM 2079 OE2 GLU A 151 -15.357 17.248 -7.991 1.00 8.15 O ATOM 0 H GLU A 151 -16.155 15.137 -4.317 1.00 4.92 H new ATOM 0 HA GLU A 151 -17.183 17.709 -3.128 1.00 5.96 H new ATOM 0 HB2 GLU A 151 -15.339 18.598 -4.521 1.00 6.64 H new ATOM 0 HB3 GLU A 151 -14.705 17.246 -3.603 1.00 6.64 H new ATOM 0 HG2 GLU A 151 -13.986 16.511 -5.670 1.00 7.13 H new ATOM 0 HG3 GLU A 151 -15.622 15.898 -5.805 1.00 7.13 H new ATOM 2086 N LEU A 152 -18.837 18.162 -4.870 1.00 7.36 N ATOM 2087 CA LEU A 152 -19.834 18.466 -5.937 1.00 8.30 C ATOM 2088 C LEU A 152 -20.943 19.360 -5.374 1.00 8.98 C ATOM 2089 O LEU A 152 -21.579 18.948 -4.417 1.00 9.30 O ATOM 2090 CB LEU A 152 -20.393 17.102 -6.363 1.00 8.84 C ATOM 2091 CG LEU A 152 -21.630 17.286 -7.253 1.00 9.35 C ATOM 2092 CD1 LEU A 152 -22.851 17.591 -6.383 1.00 9.56 C ATOM 2093 CD2 LEU A 152 -21.400 18.443 -8.231 1.00 9.86 C ATOM 2094 OXT LEU A 152 -21.136 20.438 -5.908 1.00 9.39 O ATOM 0 H LEU A 152 -19.028 18.593 -3.965 1.00 7.36 H new ATOM 0 HA LEU A 152 -19.394 18.999 -6.780 1.00 8.30 H new ATOM 0 HB2 LEU A 152 -19.629 16.541 -6.902 1.00 8.84 H new ATOM 0 HB3 LEU A 152 -20.655 16.518 -5.481 1.00 8.84 H new ATOM 0 HG LEU A 152 -21.804 16.368 -7.814 1.00 9.35 H new ATOM 0 HD11 LEU A 152 -23.727 17.721 -7.018 1.00 9.56 H new ATOM 0 HD12 LEU A 152 -23.022 16.764 -5.694 1.00 9.56 H new ATOM 0 HD13 LEU A 152 -22.675 18.505 -5.816 1.00 9.56 H new ATOM 0 HD21 LEU A 152 -22.281 18.569 -8.860 1.00 9.86 H new ATOM 0 HD22 LEU A 152 -21.219 19.361 -7.672 1.00 9.86 H new ATOM 0 HD23 LEU A 152 -20.536 18.223 -8.858 1.00 9.86 H new TER 2106 LEU A 152 CONECT 423 1924 CONECT 1924 423 END