USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) HEADER TRANSFERASE 26-MAR-98 1RRB TITLE THE RAS-BINDING DOMAIN OF RAF-1 FROM RAT, NMR, 1 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: RAF PROTO-ONCOGENE SERINE/THREONINE-PROTEIN COMPND 3 KINASE; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: RAS-BINDING DOMAIN, RESIDUES 56-131; COMPND 6 SYNONYM: RAF-1 RBD; COMPND 7 EC: 2.7.1.-; COMPND 8 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; SOURCE 3 ORGANISM_COMMON: NORWAY RAT; SOURCE 4 ORGANISM_TAXID: 10116; SOURCE 5 CELL_LINE: BL21; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET-RID KEYWDS RAF-1, RAS-BINDING DOMAIN, TRANSFERASE, SERINE/THREONINE- KEYWDS 2 PROTEIN KINASE, RIKEN STRUCTURAL GENOMICS/PROTEOMICS KEYWDS 3 INITIATIVE, RSGI, STRUCTURAL GENOMICS EXPDTA SOLUTION NMR AUTHOR T.TERADA,Y.ITO,M.SHIROUZU,M.TATENO,K.HASHIMOTO,T.KIGAWA, AUTHOR 2 T.EBISUZAKI,K.TAKIO,T.SHIBATA,S.YOKOYAMA,B.O.SMITH,E.D.LAUE, AUTHOR 3 J.A.COOPER,RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE AUTHOR 4 (RSGI) REVDAT 2 24-FEB-09 1RRB 1 VERSN REVDAT 1 30-MAR-99 1RRB 0 JRNL AUTH T.TERADA,Y.ITO,M.SHIROUZU,M.TATENO,K.HASHIMOTO, JRNL AUTH 2 T.KIGAWA,T.EBISUZAKI,K.TAKIO,T.SHIBATA,S.YOKOYAMA, JRNL AUTH 3 B.O.SMITH,E.D.LAUE,J.A.COOPER JRNL TITL NUCLEAR MAGNETIC RESONANCE AND MOLECULAR DYNAMICS JRNL TITL 2 STUDIES ON THE INTERACTIONS OF THE RAS-BINDING JRNL TITL 3 DOMAIN OF RAF-1 WITH WILD-TYPE AND MUTANT RAS JRNL TITL 4 PROTEINS. JRNL REF J.MOL.BIOL. V. 286 219 1999 JRNL REFN ISSN 0022-2836 JRNL PMID 9931261 JRNL DOI 10.1006/JMBI.1998.2472 REMARK 1 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: SIMULATED ANNEALING REFINEMENT FOR REMARK 3 NMR STRUCTURE DETERMINATION REMARK 4 REMARK 4 1RRB 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) : 303 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : 5 MM MGCL2 REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : 20 MM SODIUM PHOSPHATE BUFFER REMARK 210 (PH 6.5) REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 1H-1H NOESY, 1H-15N HSQC, 3D REMARK 210 15N-EDITED NOESY, 3D 15N- REMARK 210 EDITED TOCSY, HMQC-J, 3D HNCA, REMARK 210 3D HCCH-TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX600 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX 2.3, AZARA 1.0, X-PLOR REMARK 210 3.1 REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 80 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : CLOSEST TO THE AVERAGE OF 20 REMARK 210 LEAST ENERGY STRUCTURES REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR REMARK 210 SPECTROSCOPY ON 13C/15N-LABELED RAF-1 RBD 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A 38 REMARK 465 SER A 39 REMARK 465 MET A 40 REMARK 465 THR A 41 REMARK 465 GLY A 42 REMARK 465 GLY A 43 REMARK 465 GLN A 44 REMARK 465 GLN A 45 REMARK 465 MET A 46 REMARK 465 GLY A 47 REMARK 465 ARG A 48 REMARK 465 GLY A 49 REMARK 465 SER A 50 REMARK 465 SER A 51 REMARK 465 SER A 52 REMARK 465 LYS A 53 REMARK 465 THR A 54 REMARK 465 SER A 55 REMARK 465 LYS A 132 REMARK 465 LEU A 133 REMARK 465 ALA A 134 REMARK 465 ALA A 135 REMARK 465 ALA A 136 REMARK 465 LEU A 137 REMARK 465 GLU A 138 REMARK 465 HIS A 139 REMARK 465 HIS A 140 REMARK 465 HIS A 141 REMARK 465 HIS A 142 REMARK 465 HIS A 143 REMARK 465 HIS A 144 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 63 -177.86 -66.93 REMARK 500 ASN A 64 -85.66 57.61 REMARK 500 LYS A 65 76.13 -170.55 REMARK 500 VAL A 72 66.96 -118.99 REMARK 500 ASN A 74 -85.63 56.51 REMARK 500 MET A 76 89.13 -58.68 REMARK 500 LEU A 91 -153.66 -89.99 REMARK 500 LEU A 102 103.44 -56.17 REMARK 500 HIS A 105 -157.26 -118.38 REMARK 500 LYS A 106 -76.00 -63.88 REMARK 500 TRP A 114 33.86 -96.12 REMARK 500 ASN A 115 23.20 -157.26 REMARK 500 GLU A 124 -166.40 -100.07 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: MY_001000014.1 RELATED DB: TARGETDB DBREF 1RRB A 51 131 UNP P11345 RAF1_RAT 51 131 SEQRES 1 A 107 ALA SER MET THR GLY GLY GLN GLN MET GLY ARG GLY SER SEQRES 2 A 107 SER SER LYS THR SER ASN THR ILE ARG VAL PHE LEU PRO SEQRES 3 A 107 ASN LYS GLN ARG THR VAL VAL ASN VAL ARG ASN GLY MET SEQRES 4 A 107 SER LEU HIS ASP CYS LEU MET LYS ALA LEU LYS VAL ARG SEQRES 5 A 107 GLY LEU GLN PRO GLU CYS CYS ALA VAL PHE ARG LEU LEU SEQRES 6 A 107 GLN GLU HIS LYS GLY LYS LYS ALA ARG LEU ASP TRP ASN SEQRES 7 A 107 THR ASP ALA ALA SER LEU ILE GLY GLU GLU LEU GLN VAL SEQRES 8 A 107 ASP PHE LEU LYS LEU ALA ALA ALA LEU GLU HIS HIS HIS SEQRES 9 A 107 HIS HIS HIS HELIX 1 H1 LEU A 78 ARG A 89 1 12 HELIX 2 H2 ALA A 118 LEU A 121 1 4 SHEET 1 S 5 GLN A 66 ASN A 71 0 SHEET 2 S 5 THR A 57 LEU A 62 -1 N LEU A 62 O GLN A 66 SHEET 3 S 5 GLU A 125 ASP A 129 1 N LEU A 126 O ARG A 59 SHEET 4 S 5 CYS A 96 LEU A 101 -1 N PHE A 99 O GLN A 127 SHEET 5 S 5 LYS A 109 LEU A 112 -1 N ALA A 110 O ARG A 100 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 Single : A 56 ASN : amide:sc= -0.422 X(o=-0.42,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.59) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -130:sc= -0.541 USER MOD Single : A 71 ASN : amide:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 74 ASN : amide:sc= -0.134 K(o=-0.13,f=-1.9!) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 4:sc= -0.231 USER MOD Single : A 79 HIS : no HE2:sc= 0.00198 X(o=0.002,f=-0.033) USER MOD Single : A 81 CYS SG : rot 160:sc= -2.26! USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -2.15 K(o=-2.1,f=-3!) USER MOD Single : A 95 CYS SG : rot -105:sc= 1.29 USER MOD Single : A 96 CYS SG : rot 4:sc= 0.936 USER MOD Single : A 103 GLN :FLIP amide:sc= 0.629 F(o=0,f=0.63) USER MOD Single : A 105 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.18) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -0.771 X(o=-0.77,f=-1.3) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 56 55.029 12.248 -8.614 1.00 0.00 N ATOM 2 CA ASN A 56 54.874 11.959 -7.159 1.00 0.00 C ATOM 3 C ASN A 56 55.001 10.455 -6.902 1.00 0.00 C ATOM 4 O ASN A 56 54.015 9.760 -6.738 1.00 0.00 O ATOM 5 CB ASN A 56 53.468 12.448 -6.806 1.00 0.00 C ATOM 6 CG ASN A 56 53.385 12.725 -5.304 1.00 0.00 C ATOM 7 OD1 ASN A 56 53.657 13.823 -4.860 1.00 0.00 O ATOM 8 ND2 ASN A 56 53.018 11.768 -4.496 1.00 0.00 N ATOM 0 HA ASN A 56 55.639 12.449 -6.556 1.00 0.00 H new ATOM 0 HB2 ASN A 56 53.235 13.353 -7.367 1.00 0.00 H new ATOM 0 HB3 ASN A 56 52.729 11.698 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 56 52.960 11.942 -3.493 1.00 0.00 H new ATOM 0 HD22 ASN A 56 52.790 10.846 -4.868 1.00 0.00 H new ATOM 14 N THR A 57 56.208 9.951 -6.867 1.00 0.00 N ATOM 15 CA THR A 57 56.411 8.489 -6.622 1.00 0.00 C ATOM 16 C THR A 57 57.650 8.263 -5.754 1.00 0.00 C ATOM 17 O THR A 57 58.555 9.075 -5.725 1.00 0.00 O ATOM 18 CB THR A 57 56.616 7.865 -8.008 1.00 0.00 C ATOM 19 OG1 THR A 57 57.343 8.764 -8.840 1.00 0.00 O ATOM 20 CG2 THR A 57 55.258 7.554 -8.645 1.00 0.00 C ATOM 0 H THR A 57 57.064 10.489 -6.998 1.00 0.00 H new ATOM 0 HA THR A 57 55.564 8.046 -6.098 1.00 0.00 H new ATOM 0 HB THR A 57 57.181 6.939 -7.901 1.00 0.00 H new ATOM 0 HG1 THR A 57 57.473 8.360 -9.723 1.00 0.00 H new ATOM 0 HG21 THR A 57 55.411 7.111 -9.629 1.00 0.00 H new ATOM 0 HG22 THR A 57 54.711 6.854 -8.013 1.00 0.00 H new ATOM 0 HG23 THR A 57 54.684 8.475 -8.747 1.00 0.00 H new ATOM 28 N ILE A 58 57.702 7.155 -5.060 1.00 0.00 N ATOM 29 CA ILE A 58 58.890 6.862 -4.202 1.00 0.00 C ATOM 30 C ILE A 58 59.763 5.802 -4.884 1.00 0.00 C ATOM 31 O ILE A 58 59.265 4.955 -5.601 1.00 0.00 O ATOM 32 CB ILE A 58 58.323 6.363 -2.862 1.00 0.00 C ATOM 33 CG1 ILE A 58 59.459 6.260 -1.842 1.00 0.00 C ATOM 34 CG2 ILE A 58 57.670 4.990 -3.025 1.00 0.00 C ATOM 35 CD1 ILE A 58 59.757 7.645 -1.271 1.00 0.00 C ATOM 0 H ILE A 58 56.974 6.441 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 58 59.523 7.735 -4.045 1.00 0.00 H new ATOM 0 HB ILE A 58 57.568 7.070 -2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.181 5.576 -1.040 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.351 5.850 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.276 4.658 -2.064 1.00 0.00 H new ATOM 0 HG22 ILE A 58 56.856 5.058 -3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 58 58.411 4.274 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 58 60.566 7.573 -0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 58 60.053 8.315 -2.078 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.865 8.037 -0.783 1.00 0.00 H new ATOM 47 N ARG A 59 61.053 5.851 -4.679 1.00 0.00 N ATOM 48 CA ARG A 59 61.952 4.853 -5.338 1.00 0.00 C ATOM 49 C ARG A 59 62.448 3.810 -4.334 1.00 0.00 C ATOM 50 O ARG A 59 63.437 4.009 -3.655 1.00 0.00 O ATOM 51 CB ARG A 59 63.125 5.669 -5.889 1.00 0.00 C ATOM 52 CG ARG A 59 62.610 6.696 -6.899 1.00 0.00 C ATOM 53 CD ARG A 59 63.651 7.801 -7.091 1.00 0.00 C ATOM 54 NE ARG A 59 63.171 8.590 -8.269 1.00 0.00 N ATOM 55 CZ ARG A 59 63.982 9.383 -8.942 1.00 0.00 C ATOM 56 NH1 ARG A 59 65.246 9.518 -8.609 1.00 0.00 N ATOM 57 NH2 ARG A 59 63.518 10.052 -9.962 1.00 0.00 N ATOM 0 H ARG A 59 61.523 6.535 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 59 61.432 4.302 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 59 63.643 6.174 -5.074 1.00 0.00 H new ATOM 0 HB3 ARG A 59 63.849 5.008 -6.365 1.00 0.00 H new ATOM 0 HG2 ARG A 59 62.402 6.210 -7.852 1.00 0.00 H new ATOM 0 HG3 ARG A 59 61.671 7.125 -6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 59 63.729 8.428 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 59 64.641 7.383 -7.274 1.00 0.00 H new ATOM 0 HE ARG A 59 62.196 8.513 -8.557 1.00 0.00 H new ATOM 0 HH11 ARG A 59 65.622 9.003 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 59 65.852 10.138 -9.147 1.00 0.00 H new ATOM 0 HH21 ARG A 59 62.538 9.958 -10.230 1.00 0.00 H new ATOM 0 HH22 ARG A 59 64.135 10.669 -10.491 1.00 0.00 H new ATOM 71 N VAL A 60 61.775 2.690 -4.255 1.00 0.00 N ATOM 72 CA VAL A 60 62.206 1.612 -3.314 1.00 0.00 C ATOM 73 C VAL A 60 63.111 0.624 -4.059 1.00 0.00 C ATOM 74 O VAL A 60 62.673 -0.068 -4.958 1.00 0.00 O ATOM 75 CB VAL A 60 60.910 0.927 -2.867 1.00 0.00 C ATOM 76 CG1 VAL A 60 61.237 -0.204 -1.887 1.00 0.00 C ATOM 77 CG2 VAL A 60 60.000 1.949 -2.177 1.00 0.00 C ATOM 0 H VAL A 60 60.943 2.475 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 60 62.768 1.995 -2.462 1.00 0.00 H new ATOM 0 HB VAL A 60 60.401 0.517 -3.739 1.00 0.00 H new ATOM 0 HG11 VAL A 60 60.314 -0.690 -1.571 1.00 0.00 H new ATOM 0 HG12 VAL A 60 61.882 -0.934 -2.376 1.00 0.00 H new ATOM 0 HG13 VAL A 60 61.748 0.206 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 60 59.079 1.460 -1.860 1.00 0.00 H new ATOM 0 HG22 VAL A 60 60.510 2.361 -1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 60 59.763 2.753 -2.873 1.00 0.00 H new ATOM 87 N PHE A 61 64.369 0.566 -3.702 1.00 0.00 N ATOM 88 CA PHE A 61 65.306 -0.366 -4.401 1.00 0.00 C ATOM 89 C PHE A 61 65.084 -1.806 -3.934 1.00 0.00 C ATOM 90 O PHE A 61 65.093 -2.097 -2.750 1.00 0.00 O ATOM 91 CB PHE A 61 66.712 0.101 -4.021 1.00 0.00 C ATOM 92 CG PHE A 61 67.128 1.261 -4.896 1.00 0.00 C ATOM 93 CD1 PHE A 61 66.362 2.434 -4.928 1.00 0.00 C ATOM 94 CD2 PHE A 61 68.288 1.162 -5.673 1.00 0.00 C ATOM 95 CE1 PHE A 61 66.758 3.506 -5.737 1.00 0.00 C ATOM 96 CE2 PHE A 61 68.684 2.235 -6.481 1.00 0.00 C ATOM 97 CZ PHE A 61 67.919 3.406 -6.513 1.00 0.00 C ATOM 0 H PHE A 61 64.788 1.123 -2.957 1.00 0.00 H new ATOM 0 HA PHE A 61 65.150 -0.353 -5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 61 66.734 0.400 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 61 67.419 -0.721 -4.133 1.00 0.00 H new ATOM 0 HD1 PHE A 61 65.467 2.511 -4.329 1.00 0.00 H new ATOM 0 HD2 PHE A 61 68.878 0.258 -5.649 1.00 0.00 H new ATOM 0 HE1 PHE A 61 66.168 4.410 -5.762 1.00 0.00 H new ATOM 0 HE2 PHE A 61 69.580 2.159 -7.079 1.00 0.00 H new ATOM 0 HZ PHE A 61 68.224 4.233 -7.137 1.00 0.00 H new ATOM 107 N LEU A 62 64.898 -2.706 -4.864 1.00 0.00 N ATOM 108 CA LEU A 62 64.686 -4.144 -4.501 1.00 0.00 C ATOM 109 C LEU A 62 65.914 -4.671 -3.740 1.00 0.00 C ATOM 110 O LEU A 62 66.858 -3.933 -3.532 1.00 0.00 O ATOM 111 CB LEU A 62 64.521 -4.874 -5.845 1.00 0.00 C ATOM 112 CG LEU A 62 63.095 -5.416 -5.969 1.00 0.00 C ATOM 113 CD1 LEU A 62 62.124 -4.253 -6.177 1.00 0.00 C ATOM 114 CD2 LEU A 62 63.014 -6.367 -7.165 1.00 0.00 C ATOM 0 H LEU A 62 64.883 -2.509 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 62 63.820 -4.292 -3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 62 64.733 -4.192 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 62 65.238 -5.692 -5.916 1.00 0.00 H new ATOM 0 HG LEU A 62 62.830 -5.953 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 62 61.108 -4.638 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 62 62.182 -3.574 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 62 62.389 -3.716 -7.088 1.00 0.00 H new ATOM 0 HD21 LEU A 62 61.999 -6.754 -7.254 1.00 0.00 H new ATOM 0 HD22 LEU A 62 63.279 -5.830 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 63.706 -7.196 -7.018 1.00 0.00 H new ATOM 126 N PRO A 63 65.881 -5.928 -3.342 1.00 0.00 N ATOM 127 CA PRO A 63 67.035 -6.502 -2.603 1.00 0.00 C ATOM 128 C PRO A 63 68.258 -6.589 -3.517 1.00 0.00 C ATOM 129 O PRO A 63 68.214 -6.171 -4.656 1.00 0.00 O ATOM 130 CB PRO A 63 66.545 -7.886 -2.180 1.00 0.00 C ATOM 131 CG PRO A 63 65.470 -8.224 -3.158 1.00 0.00 C ATOM 132 CD PRO A 63 64.809 -6.924 -3.530 1.00 0.00 C ATOM 0 HA PRO A 63 67.346 -5.900 -1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 63 67.352 -8.618 -2.210 1.00 0.00 H new ATOM 0 HB3 PRO A 63 66.162 -7.876 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 63 65.886 -8.714 -4.038 1.00 0.00 H new ATOM 0 HG3 PRO A 63 64.749 -8.914 -2.720 1.00 0.00 H new ATOM 0 HD2 PRO A 63 64.448 -6.937 -4.559 1.00 0.00 H new ATOM 0 HD3 PRO A 63 63.949 -6.714 -2.894 1.00 0.00 H new ATOM 140 N ASN A 64 69.350 -7.118 -3.018 1.00 0.00 N ATOM 141 CA ASN A 64 70.602 -7.230 -3.838 1.00 0.00 C ATOM 142 C ASN A 64 71.039 -5.840 -4.338 1.00 0.00 C ATOM 143 O ASN A 64 71.849 -5.184 -3.709 1.00 0.00 O ATOM 144 CB ASN A 64 70.263 -8.179 -5.002 1.00 0.00 C ATOM 145 CG ASN A 64 71.479 -8.325 -5.922 1.00 0.00 C ATOM 146 OD1 ASN A 64 72.601 -8.384 -5.460 1.00 0.00 O ATOM 147 ND2 ASN A 64 71.301 -8.386 -7.213 1.00 0.00 N ATOM 0 H ASN A 64 69.429 -7.481 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 64 71.438 -7.621 -3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 64 69.969 -9.155 -4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 64 69.414 -7.791 -5.565 1.00 0.00 H new ATOM 0 HD21 ASN A 64 72.104 -8.483 -7.834 1.00 0.00 H new ATOM 0 HD22 ASN A 64 70.359 -8.336 -7.601 1.00 0.00 H new ATOM 154 N LYS A 65 70.513 -5.381 -5.451 1.00 0.00 N ATOM 155 CA LYS A 65 70.904 -4.033 -5.972 1.00 0.00 C ATOM 156 C LYS A 65 69.991 -3.631 -7.137 1.00 0.00 C ATOM 157 O LYS A 65 70.379 -3.692 -8.289 1.00 0.00 O ATOM 158 CB LYS A 65 72.355 -4.185 -6.448 1.00 0.00 C ATOM 159 CG LYS A 65 72.455 -5.296 -7.508 1.00 0.00 C ATOM 160 CD LYS A 65 72.869 -4.696 -8.855 1.00 0.00 C ATOM 161 CE LYS A 65 74.390 -4.777 -9.003 1.00 0.00 C ATOM 162 NZ LYS A 65 74.658 -4.411 -10.422 1.00 0.00 N ATOM 0 H LYS A 65 69.831 -5.882 -6.020 1.00 0.00 H new ATOM 0 HA LYS A 65 70.810 -3.257 -5.212 1.00 0.00 H new ATOM 0 HB2 LYS A 65 72.709 -3.242 -6.865 1.00 0.00 H new ATOM 0 HB3 LYS A 65 73.000 -4.421 -5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 65 73.182 -6.045 -7.195 1.00 0.00 H new ATOM 0 HG3 LYS A 65 71.496 -5.804 -7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 65 72.384 -5.234 -9.669 1.00 0.00 H new ATOM 0 HD3 LYS A 65 72.541 -3.658 -8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 65 74.890 -4.093 -8.317 1.00 0.00 H new ATOM 0 HE3 LYS A 65 74.756 -5.779 -8.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 75.682 -4.444 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 74.175 -5.083 -11.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 74.305 -3.450 -10.605 1.00 0.00 H new ATOM 176 N GLN A 66 68.779 -3.225 -6.844 1.00 0.00 N ATOM 177 CA GLN A 66 67.839 -2.825 -7.932 1.00 0.00 C ATOM 178 C GLN A 66 67.160 -1.492 -7.604 1.00 0.00 C ATOM 179 O GLN A 66 66.980 -1.143 -6.453 1.00 0.00 O ATOM 180 CB GLN A 66 66.808 -3.951 -7.990 1.00 0.00 C ATOM 181 CG GLN A 66 67.203 -4.953 -9.076 1.00 0.00 C ATOM 182 CD GLN A 66 66.673 -4.476 -10.429 1.00 0.00 C ATOM 183 OE1 GLN A 66 67.398 -3.886 -11.205 1.00 0.00 O ATOM 184 NE2 GLN A 66 65.429 -4.709 -10.748 1.00 0.00 N ATOM 0 H GLN A 66 68.403 -3.154 -5.899 1.00 0.00 H new ATOM 0 HA GLN A 66 68.352 -2.684 -8.883 1.00 0.00 H new ATOM 0 HB2 GLN A 66 66.747 -4.452 -7.024 1.00 0.00 H new ATOM 0 HB3 GLN A 66 65.820 -3.542 -8.200 1.00 0.00 H new ATOM 0 HG2 GLN A 66 68.288 -5.055 -9.114 1.00 0.00 H new ATOM 0 HG3 GLN A 66 66.798 -5.938 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 66 64.820 -5.204 -10.097 1.00 0.00 H new ATOM 0 HE22 GLN A 66 65.066 -4.396 -11.648 1.00 0.00 H new ATOM 193 N ARG A 67 66.783 -0.750 -8.616 1.00 0.00 N ATOM 194 CA ARG A 67 66.112 0.566 -8.389 1.00 0.00 C ATOM 195 C ARG A 67 64.672 0.516 -8.914 1.00 0.00 C ATOM 196 O ARG A 67 64.438 0.537 -10.108 1.00 0.00 O ATOM 197 CB ARG A 67 66.949 1.572 -9.189 1.00 0.00 C ATOM 198 CG ARG A 67 66.322 2.969 -9.097 1.00 0.00 C ATOM 199 CD ARG A 67 67.354 4.031 -9.495 1.00 0.00 C ATOM 200 NE ARG A 67 66.935 4.494 -10.856 1.00 0.00 N ATOM 201 CZ ARG A 67 67.304 3.859 -11.952 1.00 0.00 C ATOM 202 NH1 ARG A 67 68.060 2.786 -11.912 1.00 0.00 N ATOM 203 NH2 ARG A 67 66.905 4.310 -13.110 1.00 0.00 N ATOM 0 H ARG A 67 66.913 -1.002 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 67 66.054 0.833 -7.334 1.00 0.00 H new ATOM 0 HB2 ARG A 67 67.969 1.596 -8.804 1.00 0.00 H new ATOM 0 HB3 ARG A 67 67.009 1.260 -10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 67 65.453 3.031 -9.752 1.00 0.00 H new ATOM 0 HG3 ARG A 67 65.970 3.153 -8.082 1.00 0.00 H new ATOM 0 HD2 ARG A 67 67.364 4.857 -8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 67 68.361 3.614 -9.513 1.00 0.00 H new ATOM 0 HE ARG A 67 66.348 5.324 -10.938 1.00 0.00 H new ATOM 0 HH11 ARG A 67 68.379 2.420 -11.015 1.00 0.00 H new ATOM 0 HH12 ARG A 67 68.328 2.318 -12.778 1.00 0.00 H new ATOM 0 HH21 ARG A 67 66.317 5.142 -13.158 1.00 0.00 H new ATOM 0 HH22 ARG A 67 67.182 3.831 -13.967 1.00 0.00 H new ATOM 217 N THR A 68 63.709 0.450 -8.030 1.00 0.00 N ATOM 218 CA THR A 68 62.288 0.396 -8.462 1.00 0.00 C ATOM 219 C THR A 68 61.515 1.581 -7.856 1.00 0.00 C ATOM 220 O THR A 68 61.790 2.013 -6.754 1.00 0.00 O ATOM 221 CB THR A 68 61.792 -0.950 -7.913 1.00 0.00 C ATOM 222 OG1 THR A 68 62.384 -2.005 -8.658 1.00 0.00 O ATOM 223 CG2 THR A 68 60.272 -1.045 -8.024 1.00 0.00 C ATOM 0 H THR A 68 63.852 0.431 -7.020 1.00 0.00 H new ATOM 0 HA THR A 68 62.152 0.469 -9.541 1.00 0.00 H new ATOM 0 HB THR A 68 62.073 -1.029 -6.863 1.00 0.00 H new ATOM 0 HG1 THR A 68 61.688 -2.631 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 68 59.938 -2.005 -7.631 1.00 0.00 H new ATOM 0 HG22 THR A 68 59.814 -0.239 -7.451 1.00 0.00 H new ATOM 0 HG23 THR A 68 59.978 -0.959 -9.070 1.00 0.00 H new ATOM 231 N VAL A 69 60.549 2.097 -8.574 1.00 0.00 N ATOM 232 CA VAL A 69 59.745 3.245 -8.054 1.00 0.00 C ATOM 233 C VAL A 69 58.289 3.110 -8.518 1.00 0.00 C ATOM 234 O VAL A 69 58.021 2.871 -9.680 1.00 0.00 O ATOM 235 CB VAL A 69 60.404 4.501 -8.646 1.00 0.00 C ATOM 236 CG1 VAL A 69 60.379 4.432 -10.177 1.00 0.00 C ATOM 237 CG2 VAL A 69 59.649 5.755 -8.181 1.00 0.00 C ATOM 0 H VAL A 69 60.282 1.771 -9.503 1.00 0.00 H new ATOM 0 HA VAL A 69 59.727 3.286 -6.965 1.00 0.00 H new ATOM 0 HB VAL A 69 61.437 4.551 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 69 60.848 5.326 -10.589 1.00 0.00 H new ATOM 0 HG12 VAL A 69 60.925 3.549 -10.510 1.00 0.00 H new ATOM 0 HG13 VAL A 69 59.347 4.372 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL A 69 60.121 6.642 -8.604 1.00 0.00 H new ATOM 0 HG22 VAL A 69 58.613 5.701 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 69 59.676 5.814 -7.093 1.00 0.00 H new ATOM 247 N VAL A 70 57.351 3.253 -7.615 1.00 0.00 N ATOM 248 CA VAL A 70 55.911 3.125 -7.997 1.00 0.00 C ATOM 249 C VAL A 70 55.100 4.305 -7.450 1.00 0.00 C ATOM 250 O VAL A 70 55.621 5.165 -6.765 1.00 0.00 O ATOM 251 CB VAL A 70 55.442 1.809 -7.367 1.00 0.00 C ATOM 252 CG1 VAL A 70 56.245 0.648 -7.956 1.00 0.00 C ATOM 253 CG2 VAL A 70 55.650 1.850 -5.848 1.00 0.00 C ATOM 0 H VAL A 70 57.520 3.453 -6.629 1.00 0.00 H new ATOM 0 HA VAL A 70 55.776 3.128 -9.079 1.00 0.00 H new ATOM 0 HB VAL A 70 54.382 1.670 -7.580 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.912 -0.289 -7.509 1.00 0.00 H new ATOM 0 HG12 VAL A 70 56.092 0.610 -9.034 1.00 0.00 H new ATOM 0 HG13 VAL A 70 57.304 0.794 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 70 55.314 0.911 -5.409 1.00 0.00 H new ATOM 0 HG22 VAL A 70 56.708 1.994 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 70 55.076 2.674 -5.424 1.00 0.00 H new ATOM 263 N ASN A 71 53.825 4.344 -7.751 1.00 0.00 N ATOM 264 CA ASN A 71 52.965 5.460 -7.256 1.00 0.00 C ATOM 265 C ASN A 71 52.525 5.191 -5.816 1.00 0.00 C ATOM 266 O ASN A 71 51.804 4.251 -5.542 1.00 0.00 O ATOM 267 CB ASN A 71 51.755 5.478 -8.190 1.00 0.00 C ATOM 268 CG ASN A 71 52.216 5.769 -9.619 1.00 0.00 C ATOM 269 OD1 ASN A 71 52.308 6.913 -10.019 1.00 0.00 O ATOM 270 ND2 ASN A 71 52.511 4.775 -10.412 1.00 0.00 N ATOM 0 H ASN A 71 53.343 3.648 -8.320 1.00 0.00 H new ATOM 0 HA ASN A 71 53.492 6.414 -7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 71 51.239 4.519 -8.152 1.00 0.00 H new ATOM 0 HB3 ASN A 71 51.043 6.237 -7.865 1.00 0.00 H new ATOM 0 HD21 ASN A 71 52.819 4.958 -11.367 1.00 0.00 H new ATOM 0 HD22 ASN A 71 52.434 3.815 -10.077 1.00 0.00 H new ATOM 277 N VAL A 72 52.962 6.011 -4.898 1.00 0.00 N ATOM 278 CA VAL A 72 52.590 5.821 -3.469 1.00 0.00 C ATOM 279 C VAL A 72 51.821 7.038 -2.954 1.00 0.00 C ATOM 280 O VAL A 72 52.292 7.771 -2.107 1.00 0.00 O ATOM 281 CB VAL A 72 53.920 5.669 -2.735 1.00 0.00 C ATOM 282 CG1 VAL A 72 54.615 4.396 -3.221 1.00 0.00 C ATOM 283 CG2 VAL A 72 54.812 6.886 -3.007 1.00 0.00 C ATOM 0 H VAL A 72 53.567 6.812 -5.081 1.00 0.00 H new ATOM 0 HA VAL A 72 51.942 4.957 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 72 53.739 5.602 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 72 55.566 4.280 -2.702 1.00 0.00 H new ATOM 0 HG12 VAL A 72 53.981 3.534 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 72 54.794 4.466 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 72 55.758 6.769 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 72 55.001 6.967 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 72 54.312 7.789 -2.658 1.00 0.00 H new ATOM 293 N ARG A 73 50.639 7.250 -3.464 1.00 0.00 N ATOM 294 CA ARG A 73 49.819 8.413 -3.016 1.00 0.00 C ATOM 295 C ARG A 73 48.941 8.009 -1.829 1.00 0.00 C ATOM 296 O ARG A 73 49.153 6.982 -1.217 1.00 0.00 O ATOM 297 CB ARG A 73 48.956 8.777 -4.224 1.00 0.00 C ATOM 298 CG ARG A 73 48.798 10.297 -4.299 1.00 0.00 C ATOM 299 CD ARG A 73 49.888 10.880 -5.201 1.00 0.00 C ATOM 300 NE ARG A 73 49.460 10.541 -6.592 1.00 0.00 N ATOM 301 CZ ARG A 73 48.479 11.192 -7.188 1.00 0.00 C ATOM 302 NH1 ARG A 73 47.835 12.165 -6.586 1.00 0.00 N ATOM 303 NH2 ARG A 73 48.141 10.859 -8.403 1.00 0.00 N ATOM 0 H ARG A 73 50.203 6.664 -4.176 1.00 0.00 H new ATOM 0 HA ARG A 73 50.432 9.252 -2.688 1.00 0.00 H new ATOM 0 HB2 ARG A 73 49.416 8.403 -5.139 1.00 0.00 H new ATOM 0 HB3 ARG A 73 47.978 8.303 -4.142 1.00 0.00 H new ATOM 0 HG2 ARG A 73 47.813 10.552 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 73 48.867 10.730 -3.301 1.00 0.00 H new ATOM 0 HD2 ARG A 73 49.977 11.958 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 73 50.863 10.449 -4.972 1.00 0.00 H new ATOM 0 HE ARG A 73 49.936 9.790 -7.092 1.00 0.00 H new ATOM 0 HH11 ARG A 73 48.089 12.433 -5.635 1.00 0.00 H new ATOM 0 HH12 ARG A 73 47.080 12.652 -7.069 1.00 0.00 H new ATOM 0 HH21 ARG A 73 48.633 10.104 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 73 47.385 11.354 -8.876 1.00 0.00 H new ATOM 317 N ASN A 74 47.955 8.812 -1.504 1.00 0.00 N ATOM 318 CA ASN A 74 47.043 8.498 -0.354 1.00 0.00 C ATOM 319 C ASN A 74 47.849 8.312 0.944 1.00 0.00 C ATOM 320 O ASN A 74 48.019 9.244 1.707 1.00 0.00 O ATOM 321 CB ASN A 74 46.303 7.210 -0.745 1.00 0.00 C ATOM 322 CG ASN A 74 45.055 7.563 -1.555 1.00 0.00 C ATOM 323 OD1 ASN A 74 44.473 8.614 -1.369 1.00 0.00 O ATOM 324 ND2 ASN A 74 44.616 6.724 -2.453 1.00 0.00 N ATOM 0 H ASN A 74 47.740 9.682 -1.992 1.00 0.00 H new ATOM 0 HA ASN A 74 46.341 9.309 -0.162 1.00 0.00 H new ATOM 0 HB2 ASN A 74 46.959 6.565 -1.330 1.00 0.00 H new ATOM 0 HB3 ASN A 74 46.023 6.653 0.149 1.00 0.00 H new ATOM 0 HD21 ASN A 74 43.785 6.950 -2.999 1.00 0.00 H new ATOM 0 HD22 ASN A 74 45.104 5.842 -2.609 1.00 0.00 H new ATOM 331 N GLY A 75 48.353 7.126 1.199 1.00 0.00 N ATOM 332 CA GLY A 75 49.148 6.889 2.434 1.00 0.00 C ATOM 333 C GLY A 75 49.779 5.514 2.301 1.00 0.00 C ATOM 334 O GLY A 75 49.845 4.747 3.242 1.00 0.00 O ATOM 0 H GLY A 75 48.243 6.311 0.596 1.00 0.00 H new ATOM 0 HA2 GLY A 75 49.915 7.655 2.552 1.00 0.00 H new ATOM 0 HA3 GLY A 75 48.511 6.937 3.317 1.00 0.00 H new ATOM 338 N MET A 76 50.215 5.194 1.110 1.00 0.00 N ATOM 339 CA MET A 76 50.817 3.860 0.860 1.00 0.00 C ATOM 340 C MET A 76 52.031 3.633 1.766 1.00 0.00 C ATOM 341 O MET A 76 53.151 3.940 1.402 1.00 0.00 O ATOM 342 CB MET A 76 51.240 3.873 -0.612 1.00 0.00 C ATOM 343 CG MET A 76 50.099 3.329 -1.475 1.00 0.00 C ATOM 344 SD MET A 76 50.783 2.508 -2.936 1.00 0.00 S ATOM 345 CE MET A 76 49.226 2.314 -3.838 1.00 0.00 C ATOM 0 H MET A 76 50.177 5.808 0.296 1.00 0.00 H new ATOM 0 HA MET A 76 50.113 3.055 1.073 1.00 0.00 H new ATOM 0 HB2 MET A 76 51.492 4.888 -0.920 1.00 0.00 H new ATOM 0 HB3 MET A 76 52.135 3.267 -0.750 1.00 0.00 H new ATOM 0 HG2 MET A 76 49.497 2.627 -0.899 1.00 0.00 H new ATOM 0 HG3 MET A 76 49.439 4.142 -1.778 1.00 0.00 H new ATOM 0 HE1 MET A 76 49.416 1.819 -4.790 1.00 0.00 H new ATOM 0 HE2 MET A 76 48.536 1.711 -3.247 1.00 0.00 H new ATOM 0 HE3 MET A 76 48.786 3.295 -4.020 1.00 0.00 H new ATOM 355 N SER A 77 51.814 3.096 2.939 1.00 0.00 N ATOM 356 CA SER A 77 52.955 2.845 3.873 1.00 0.00 C ATOM 357 C SER A 77 53.930 1.847 3.246 1.00 0.00 C ATOM 358 O SER A 77 53.612 1.184 2.276 1.00 0.00 O ATOM 359 CB SER A 77 52.324 2.256 5.135 1.00 0.00 C ATOM 360 OG SER A 77 51.553 1.114 4.786 1.00 0.00 O ATOM 0 H SER A 77 50.897 2.820 3.291 1.00 0.00 H new ATOM 0 HA SER A 77 53.517 3.753 4.091 1.00 0.00 H new ATOM 0 HB2 SER A 77 53.100 1.981 5.849 1.00 0.00 H new ATOM 0 HB3 SER A 77 51.693 3.000 5.621 1.00 0.00 H new ATOM 0 HG SER A 77 51.658 0.928 3.829 1.00 0.00 H new ATOM 366 N LEU A 78 55.114 1.735 3.793 1.00 0.00 N ATOM 367 CA LEU A 78 56.117 0.777 3.231 1.00 0.00 C ATOM 368 C LEU A 78 55.564 -0.652 3.271 1.00 0.00 C ATOM 369 O LEU A 78 55.918 -1.487 2.460 1.00 0.00 O ATOM 370 CB LEU A 78 57.346 0.900 4.138 1.00 0.00 C ATOM 371 CG LEU A 78 58.396 1.801 3.479 1.00 0.00 C ATOM 372 CD1 LEU A 78 59.586 1.972 4.429 1.00 0.00 C ATOM 373 CD2 LEU A 78 58.876 1.170 2.162 1.00 0.00 C ATOM 0 H LEU A 78 55.431 2.265 4.605 1.00 0.00 H new ATOM 0 HA LEU A 78 56.357 0.999 2.191 1.00 0.00 H new ATOM 0 HB2 LEU A 78 57.055 1.313 5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 78 57.769 -0.087 4.327 1.00 0.00 H new ATOM 0 HG LEU A 78 57.953 2.774 3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 78 60.335 2.613 3.963 1.00 0.00 H new ATOM 0 HD12 LEU A 78 59.247 2.428 5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 78 60.025 0.997 4.642 1.00 0.00 H new ATOM 0 HD21 LEU A 78 59.622 1.816 1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 78 59.317 0.194 2.366 1.00 0.00 H new ATOM 0 HD23 LEU A 78 58.030 1.051 1.486 1.00 0.00 H new ATOM 385 N HIS A 79 54.703 -0.933 4.215 1.00 0.00 N ATOM 386 CA HIS A 79 54.121 -2.306 4.325 1.00 0.00 C ATOM 387 C HIS A 79 53.371 -2.684 3.043 1.00 0.00 C ATOM 388 O HIS A 79 53.361 -3.832 2.644 1.00 0.00 O ATOM 389 CB HIS A 79 53.149 -2.236 5.507 1.00 0.00 C ATOM 390 CG HIS A 79 53.211 -3.518 6.292 1.00 0.00 C ATOM 391 ND1 HIS A 79 53.057 -4.759 5.694 1.00 0.00 N ATOM 392 CD2 HIS A 79 53.410 -3.767 7.627 1.00 0.00 C ATOM 393 CE1 HIS A 79 53.164 -5.690 6.660 1.00 0.00 C ATOM 394 NE2 HIS A 79 53.380 -5.139 7.857 1.00 0.00 N ATOM 0 H HIS A 79 54.376 -0.269 4.917 1.00 0.00 H new ATOM 0 HA HIS A 79 54.894 -3.061 4.471 1.00 0.00 H new ATOM 0 HB2 HIS A 79 53.403 -1.393 6.149 1.00 0.00 H new ATOM 0 HB3 HIS A 79 52.134 -2.068 5.146 1.00 0.00 H new ATOM 0 HD1 HIS A 79 52.893 -4.935 4.703 1.00 0.00 H new ATOM 0 HD2 HIS A 79 53.566 -3.013 8.384 1.00 0.00 H new ATOM 0 HE1 HIS A 79 53.085 -6.753 6.488 1.00 0.00 H new ATOM 402 N ASP A 80 52.734 -1.734 2.404 1.00 0.00 N ATOM 403 CA ASP A 80 51.973 -2.048 1.156 1.00 0.00 C ATOM 404 C ASP A 80 52.911 -2.128 -0.054 1.00 0.00 C ATOM 405 O ASP A 80 52.849 -3.061 -0.834 1.00 0.00 O ATOM 406 CB ASP A 80 50.990 -0.890 0.993 1.00 0.00 C ATOM 407 CG ASP A 80 50.030 -0.863 2.183 1.00 0.00 C ATOM 408 OD1 ASP A 80 50.500 -0.681 3.295 1.00 0.00 O ATOM 409 OD2 ASP A 80 48.841 -1.024 1.964 1.00 0.00 O ATOM 0 H ASP A 80 52.708 -0.756 2.692 1.00 0.00 H new ATOM 0 HA ASP A 80 51.470 -3.013 1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 80 51.531 0.054 0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 80 50.431 -1.002 0.064 1.00 0.00 H new ATOM 414 N CYS A 81 53.768 -1.154 -0.222 1.00 0.00 N ATOM 415 CA CYS A 81 54.703 -1.162 -1.393 1.00 0.00 C ATOM 416 C CYS A 81 55.694 -2.327 -1.292 1.00 0.00 C ATOM 417 O CYS A 81 56.063 -2.925 -2.289 1.00 0.00 O ATOM 418 CB CYS A 81 55.444 0.174 -1.324 1.00 0.00 C ATOM 419 SG CYS A 81 54.267 1.530 -1.555 1.00 0.00 S ATOM 0 H CYS A 81 53.863 -0.352 0.400 1.00 0.00 H new ATOM 0 HA CYS A 81 54.168 -1.287 -2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 81 55.946 0.274 -0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 81 56.216 0.214 -2.092 1.00 0.00 H new ATOM 0 HG CYS A 81 54.776 2.631 -1.088 1.00 0.00 H new ATOM 425 N LEU A 82 56.132 -2.649 -0.101 1.00 0.00 N ATOM 426 CA LEU A 82 57.108 -3.767 0.062 1.00 0.00 C ATOM 427 C LEU A 82 56.394 -5.117 -0.001 1.00 0.00 C ATOM 428 O LEU A 82 56.781 -5.989 -0.753 1.00 0.00 O ATOM 429 CB LEU A 82 57.736 -3.552 1.439 1.00 0.00 C ATOM 430 CG LEU A 82 58.571 -2.270 1.429 1.00 0.00 C ATOM 431 CD1 LEU A 82 59.113 -2.009 2.833 1.00 0.00 C ATOM 432 CD2 LEU A 82 59.744 -2.423 0.456 1.00 0.00 C ATOM 0 H LEU A 82 55.856 -2.186 0.765 1.00 0.00 H new ATOM 0 HA LEU A 82 57.857 -3.774 -0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 82 56.957 -3.484 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 82 58.363 -4.404 1.701 1.00 0.00 H new ATOM 0 HG LEU A 82 57.945 -1.435 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 82 59.709 -1.096 2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 82 58.282 -1.897 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 82 59.736 -2.847 3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 82 60.336 -1.507 0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 82 60.370 -3.258 0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 82 59.362 -2.612 -0.547 1.00 0.00 H new ATOM 444 N MET A 83 55.349 -5.298 0.774 1.00 0.00 N ATOM 445 CA MET A 83 54.600 -6.601 0.753 1.00 0.00 C ATOM 446 C MET A 83 54.238 -6.991 -0.689 1.00 0.00 C ATOM 447 O MET A 83 54.091 -8.153 -1.006 1.00 0.00 O ATOM 448 CB MET A 83 53.333 -6.349 1.577 1.00 0.00 C ATOM 449 CG MET A 83 52.490 -7.627 1.639 1.00 0.00 C ATOM 450 SD MET A 83 51.596 -7.690 3.212 1.00 0.00 S ATOM 451 CE MET A 83 49.972 -7.219 2.570 1.00 0.00 C ATOM 0 H MET A 83 54.981 -4.600 1.421 1.00 0.00 H new ATOM 0 HA MET A 83 55.194 -7.420 1.160 1.00 0.00 H new ATOM 0 HB2 MET A 83 53.601 -6.030 2.584 1.00 0.00 H new ATOM 0 HB3 MET A 83 52.753 -5.541 1.131 1.00 0.00 H new ATOM 0 HG2 MET A 83 51.785 -7.650 0.808 1.00 0.00 H new ATOM 0 HG3 MET A 83 53.131 -8.503 1.538 1.00 0.00 H new ATOM 0 HE1 MET A 83 49.251 -7.194 3.387 1.00 0.00 H new ATOM 0 HE2 MET A 83 50.034 -6.232 2.111 1.00 0.00 H new ATOM 0 HE3 MET A 83 49.651 -7.946 1.824 1.00 0.00 H new ATOM 461 N LYS A 84 54.110 -6.019 -1.555 1.00 0.00 N ATOM 462 CA LYS A 84 53.773 -6.305 -2.987 1.00 0.00 C ATOM 463 C LYS A 84 55.000 -6.857 -3.707 1.00 0.00 C ATOM 464 O LYS A 84 55.065 -8.024 -4.041 1.00 0.00 O ATOM 465 CB LYS A 84 53.413 -4.950 -3.570 1.00 0.00 C ATOM 466 CG LYS A 84 52.053 -4.498 -3.036 1.00 0.00 C ATOM 467 CD LYS A 84 50.949 -4.965 -3.987 1.00 0.00 C ATOM 468 CE LYS A 84 49.662 -4.189 -3.696 1.00 0.00 C ATOM 469 NZ LYS A 84 48.583 -4.974 -4.359 1.00 0.00 N ATOM 0 H LYS A 84 54.225 -5.030 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 84 52.971 -7.036 -3.088 1.00 0.00 H new ATOM 0 HB2 LYS A 84 54.177 -4.218 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 84 53.385 -5.008 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 84 51.887 -4.909 -2.040 1.00 0.00 H new ATOM 0 HG3 LYS A 84 52.030 -3.412 -2.941 1.00 0.00 H new ATOM 0 HD2 LYS A 84 51.255 -4.808 -5.021 1.00 0.00 H new ATOM 0 HD3 LYS A 84 50.777 -6.034 -3.864 1.00 0.00 H new ATOM 0 HE2 LYS A 84 49.486 -4.103 -2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 84 49.714 -3.175 -4.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 47.668 -4.505 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 48.774 -5.033 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 48.553 -5.932 -3.956 1.00 0.00 H new ATOM 483 N ALA A 85 55.996 -6.026 -3.928 1.00 0.00 N ATOM 484 CA ALA A 85 57.242 -6.512 -4.601 1.00 0.00 C ATOM 485 C ALA A 85 57.807 -7.702 -3.814 1.00 0.00 C ATOM 486 O ALA A 85 58.520 -8.533 -4.346 1.00 0.00 O ATOM 487 CB ALA A 85 58.215 -5.330 -4.560 1.00 0.00 C ATOM 0 H ALA A 85 55.998 -5.039 -3.672 1.00 0.00 H new ATOM 0 HA ALA A 85 57.065 -6.844 -5.624 1.00 0.00 H new ATOM 0 HB1 ALA A 85 59.153 -5.614 -5.037 1.00 0.00 H new ATOM 0 HB2 ALA A 85 57.780 -4.483 -5.090 1.00 0.00 H new ATOM 0 HB3 ALA A 85 58.405 -5.051 -3.524 1.00 0.00 H new ATOM 493 N LEU A 86 57.466 -7.790 -2.549 1.00 0.00 N ATOM 494 CA LEU A 86 57.956 -8.927 -1.716 1.00 0.00 C ATOM 495 C LEU A 86 57.251 -10.220 -2.139 1.00 0.00 C ATOM 496 O LEU A 86 57.879 -11.250 -2.301 1.00 0.00 O ATOM 497 CB LEU A 86 57.591 -8.548 -0.277 1.00 0.00 C ATOM 498 CG LEU A 86 58.006 -9.664 0.683 1.00 0.00 C ATOM 499 CD1 LEU A 86 58.299 -9.066 2.060 1.00 0.00 C ATOM 500 CD2 LEU A 86 56.867 -10.681 0.796 1.00 0.00 C ATOM 0 H LEU A 86 56.870 -7.122 -2.061 1.00 0.00 H new ATOM 0 HA LEU A 86 59.027 -9.100 -1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 86 58.087 -7.617 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 86 56.518 -8.372 -0.200 1.00 0.00 H new ATOM 0 HG LEU A 86 58.901 -10.160 0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 86 58.595 -9.860 2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 86 59.107 -8.339 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 86 57.404 -8.573 2.440 1.00 0.00 H new ATOM 0 HD21 LEU A 86 57.158 -11.479 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 86 55.973 -10.186 1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 86 56.658 -11.103 -0.187 1.00 0.00 H new ATOM 512 N LYS A 87 55.952 -10.174 -2.323 1.00 0.00 N ATOM 513 CA LYS A 87 55.213 -11.404 -2.739 1.00 0.00 C ATOM 514 C LYS A 87 55.423 -11.660 -4.236 1.00 0.00 C ATOM 515 O LYS A 87 55.395 -12.788 -4.691 1.00 0.00 O ATOM 516 CB LYS A 87 53.732 -11.136 -2.408 1.00 0.00 C ATOM 517 CG LYS A 87 53.156 -10.012 -3.281 1.00 0.00 C ATOM 518 CD LYS A 87 51.628 -10.059 -3.224 1.00 0.00 C ATOM 519 CE LYS A 87 51.119 -11.208 -4.097 1.00 0.00 C ATOM 520 NZ LYS A 87 49.769 -11.532 -3.557 1.00 0.00 N ATOM 0 H LYS A 87 55.376 -9.341 -2.203 1.00 0.00 H new ATOM 0 HA LYS A 87 55.567 -12.295 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 87 53.154 -12.048 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 87 53.636 -10.867 -1.356 1.00 0.00 H new ATOM 0 HG2 LYS A 87 53.515 -9.044 -2.931 1.00 0.00 H new ATOM 0 HG3 LYS A 87 53.496 -10.125 -4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 87 51.296 -10.196 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 87 51.211 -9.113 -3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 87 51.065 -10.914 -5.145 1.00 0.00 H new ATOM 0 HE3 LYS A 87 51.784 -12.070 -4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 49.354 -12.313 -4.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 49.853 -11.815 -2.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 49.156 -10.695 -3.629 1.00 0.00 H new ATOM 534 N VAL A 88 55.642 -10.618 -4.999 1.00 0.00 N ATOM 535 CA VAL A 88 55.866 -10.791 -6.467 1.00 0.00 C ATOM 536 C VAL A 88 57.128 -11.627 -6.694 1.00 0.00 C ATOM 537 O VAL A 88 57.229 -12.369 -7.653 1.00 0.00 O ATOM 538 CB VAL A 88 56.044 -9.373 -7.024 1.00 0.00 C ATOM 539 CG1 VAL A 88 56.291 -9.437 -8.534 1.00 0.00 C ATOM 540 CG2 VAL A 88 54.778 -8.553 -6.753 1.00 0.00 C ATOM 0 H VAL A 88 55.675 -9.654 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 88 55.041 -11.307 -6.958 1.00 0.00 H new ATOM 0 HB VAL A 88 56.897 -8.902 -6.536 1.00 0.00 H new ATOM 0 HG11 VAL A 88 56.417 -8.427 -8.925 1.00 0.00 H new ATOM 0 HG12 VAL A 88 57.192 -10.017 -8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 88 55.440 -9.912 -9.022 1.00 0.00 H new ATOM 0 HG21 VAL A 88 54.905 -7.546 -7.149 1.00 0.00 H new ATOM 0 HG22 VAL A 88 53.926 -9.029 -7.238 1.00 0.00 H new ATOM 0 HG23 VAL A 88 54.601 -8.501 -5.679 1.00 0.00 H new ATOM 550 N ARG A 89 58.084 -11.516 -5.807 1.00 0.00 N ATOM 551 CA ARG A 89 59.340 -12.307 -5.948 1.00 0.00 C ATOM 552 C ARG A 89 59.267 -13.577 -5.090 1.00 0.00 C ATOM 553 O ARG A 89 60.029 -14.506 -5.282 1.00 0.00 O ATOM 554 CB ARG A 89 60.447 -11.381 -5.440 1.00 0.00 C ATOM 555 CG ARG A 89 60.862 -10.418 -6.555 1.00 0.00 C ATOM 556 CD ARG A 89 62.089 -10.974 -7.284 1.00 0.00 C ATOM 557 NE ARG A 89 61.837 -10.704 -8.735 1.00 0.00 N ATOM 558 CZ ARG A 89 62.820 -10.706 -9.615 1.00 0.00 C ATOM 559 NH1 ARG A 89 64.061 -10.946 -9.260 1.00 0.00 N ATOM 560 NH2 ARG A 89 62.551 -10.464 -10.869 1.00 0.00 N ATOM 0 H ARG A 89 58.047 -10.909 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 89 59.513 -12.628 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 89 60.097 -10.821 -4.573 1.00 0.00 H new ATOM 0 HB3 ARG A 89 61.306 -11.968 -5.114 1.00 0.00 H new ATOM 0 HG2 ARG A 89 60.039 -10.283 -7.257 1.00 0.00 H new ATOM 0 HG3 ARG A 89 61.088 -9.437 -6.137 1.00 0.00 H new ATOM 0 HD2 ARG A 89 63.003 -10.486 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 89 62.209 -12.041 -7.097 1.00 0.00 H new ATOM 0 HE ARG A 89 60.885 -10.515 -9.050 1.00 0.00 H new ATOM 0 HH11 ARG A 89 64.284 -11.137 -8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 89 64.802 -10.941 -9.961 1.00 0.00 H new ATOM 0 HH21 ARG A 89 61.591 -10.277 -11.158 1.00 0.00 H new ATOM 0 HH22 ARG A 89 63.301 -10.462 -11.560 1.00 0.00 H new ATOM 574 N GLY A 90 58.360 -13.621 -4.141 1.00 0.00 N ATOM 575 CA GLY A 90 58.240 -14.823 -3.266 1.00 0.00 C ATOM 576 C GLY A 90 59.164 -14.662 -2.058 1.00 0.00 C ATOM 577 O GLY A 90 59.633 -15.632 -1.494 1.00 0.00 O ATOM 0 H GLY A 90 57.698 -12.872 -3.938 1.00 0.00 H new ATOM 0 HA2 GLY A 90 57.208 -14.945 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 90 58.505 -15.721 -3.824 1.00 0.00 H new ATOM 581 N LEU A 91 59.435 -13.441 -1.663 1.00 0.00 N ATOM 582 CA LEU A 91 60.338 -13.212 -0.496 1.00 0.00 C ATOM 583 C LEU A 91 59.535 -13.163 0.812 1.00 0.00 C ATOM 584 O LEU A 91 58.470 -13.742 0.917 1.00 0.00 O ATOM 585 CB LEU A 91 60.998 -11.861 -0.769 1.00 0.00 C ATOM 586 CG LEU A 91 61.768 -11.890 -2.085 1.00 0.00 C ATOM 587 CD1 LEU A 91 62.402 -10.521 -2.286 1.00 0.00 C ATOM 588 CD2 LEU A 91 62.869 -12.956 -2.026 1.00 0.00 C ATOM 0 H LEU A 91 59.069 -12.595 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 91 61.069 -14.013 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 91 60.238 -11.081 -0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 91 61.675 -11.610 0.048 1.00 0.00 H new ATOM 0 HG LEU A 91 61.095 -12.129 -2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 91 62.961 -10.513 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 91 61.622 -9.761 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 91 63.078 -10.308 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 91 63.413 -12.969 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 91 63.557 -12.724 -1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 91 62.420 -13.934 -1.852 1.00 0.00 H new ATOM 600 N GLN A 92 60.043 -12.474 1.808 1.00 0.00 N ATOM 601 CA GLN A 92 59.318 -12.382 3.112 1.00 0.00 C ATOM 602 C GLN A 92 59.827 -11.174 3.918 1.00 0.00 C ATOM 603 O GLN A 92 60.965 -10.775 3.766 1.00 0.00 O ATOM 604 CB GLN A 92 59.630 -13.694 3.842 1.00 0.00 C ATOM 605 CG GLN A 92 61.144 -13.853 4.015 1.00 0.00 C ATOM 606 CD GLN A 92 61.430 -15.018 4.964 1.00 0.00 C ATOM 607 OE1 GLN A 92 60.686 -15.257 5.894 1.00 0.00 O ATOM 608 NE2 GLN A 92 62.486 -15.760 4.767 1.00 0.00 N ATOM 0 H GLN A 92 60.930 -11.972 1.772 1.00 0.00 H new ATOM 0 HA GLN A 92 58.245 -12.243 2.978 1.00 0.00 H new ATOM 0 HB2 GLN A 92 59.142 -13.702 4.817 1.00 0.00 H new ATOM 0 HB3 GLN A 92 59.230 -14.537 3.278 1.00 0.00 H new ATOM 0 HG2 GLN A 92 61.614 -14.034 3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 92 61.574 -12.933 4.411 1.00 0.00 H new ATOM 0 HE21 GLN A 92 63.111 -15.560 3.986 1.00 0.00 H new ATOM 0 HE22 GLN A 92 62.686 -16.540 5.394 1.00 0.00 H new ATOM 617 N PRO A 93 58.971 -10.622 4.752 1.00 0.00 N ATOM 618 CA PRO A 93 59.370 -9.449 5.568 1.00 0.00 C ATOM 619 C PRO A 93 60.262 -9.884 6.735 1.00 0.00 C ATOM 620 O PRO A 93 61.153 -9.165 7.147 1.00 0.00 O ATOM 621 CB PRO A 93 58.043 -8.898 6.082 1.00 0.00 C ATOM 622 CG PRO A 93 57.103 -10.062 6.074 1.00 0.00 C ATOM 623 CD PRO A 93 57.576 -11.021 5.011 1.00 0.00 C ATOM 0 HA PRO A 93 59.943 -8.714 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 93 58.150 -8.486 7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 93 57.678 -8.093 5.444 1.00 0.00 H new ATOM 0 HG2 PRO A 93 57.087 -10.548 7.049 1.00 0.00 H new ATOM 0 HG3 PRO A 93 56.085 -9.731 5.866 1.00 0.00 H new ATOM 0 HD2 PRO A 93 57.515 -12.054 5.353 1.00 0.00 H new ATOM 0 HD3 PRO A 93 56.968 -10.947 4.110 1.00 0.00 H new ATOM 631 N GLU A 94 60.022 -11.053 7.271 1.00 0.00 N ATOM 632 CA GLU A 94 60.847 -11.543 8.420 1.00 0.00 C ATOM 633 C GLU A 94 62.327 -11.629 8.028 1.00 0.00 C ATOM 634 O GLU A 94 63.200 -11.588 8.875 1.00 0.00 O ATOM 635 CB GLU A 94 60.301 -12.936 8.743 1.00 0.00 C ATOM 636 CG GLU A 94 58.950 -12.805 9.448 1.00 0.00 C ATOM 637 CD GLU A 94 58.269 -14.173 9.505 1.00 0.00 C ATOM 638 OE1 GLU A 94 58.864 -15.088 10.052 1.00 0.00 O ATOM 639 OE2 GLU A 94 57.164 -14.284 9.000 1.00 0.00 O ATOM 0 H GLU A 94 59.289 -11.692 6.963 1.00 0.00 H new ATOM 0 HA GLU A 94 60.787 -10.870 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 94 60.190 -13.516 7.827 1.00 0.00 H new ATOM 0 HB3 GLU A 94 61.004 -13.475 9.378 1.00 0.00 H new ATOM 0 HG2 GLU A 94 59.090 -12.415 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 94 58.318 -12.094 8.916 1.00 0.00 H new ATOM 646 N CYS A 95 62.615 -11.754 6.756 1.00 0.00 N ATOM 647 CA CYS A 95 64.039 -11.851 6.313 1.00 0.00 C ATOM 648 C CYS A 95 64.486 -10.554 5.632 1.00 0.00 C ATOM 649 O CYS A 95 65.660 -10.236 5.603 1.00 0.00 O ATOM 650 CB CYS A 95 64.065 -13.013 5.320 1.00 0.00 C ATOM 651 SG CYS A 95 65.777 -13.532 5.043 1.00 0.00 S ATOM 0 H CYS A 95 61.925 -11.793 6.006 1.00 0.00 H new ATOM 0 HA CYS A 95 64.716 -12.010 7.152 1.00 0.00 H new ATOM 0 HB2 CYS A 95 63.479 -13.847 5.705 1.00 0.00 H new ATOM 0 HB3 CYS A 95 63.608 -12.710 4.378 1.00 0.00 H new ATOM 0 HG CYS A 95 66.175 -13.111 3.879 1.00 0.00 H new ATOM 657 N CYS A 96 63.562 -9.807 5.080 1.00 0.00 N ATOM 658 CA CYS A 96 63.933 -8.534 4.395 1.00 0.00 C ATOM 659 C CYS A 96 63.728 -7.342 5.334 1.00 0.00 C ATOM 660 O CYS A 96 62.797 -7.309 6.117 1.00 0.00 O ATOM 661 CB CYS A 96 62.989 -8.443 3.197 1.00 0.00 C ATOM 662 SG CYS A 96 63.519 -9.611 1.921 1.00 0.00 S ATOM 0 H CYS A 96 62.566 -10.026 5.075 1.00 0.00 H new ATOM 0 HA CYS A 96 64.980 -8.518 4.093 1.00 0.00 H new ATOM 0 HB2 CYS A 96 61.968 -8.666 3.507 1.00 0.00 H new ATOM 0 HB3 CYS A 96 62.987 -7.429 2.798 1.00 0.00 H new ATOM 0 HG CYS A 96 64.528 -10.304 2.359 1.00 0.00 H new ATOM 668 N ALA A 97 64.593 -6.363 5.256 1.00 0.00 N ATOM 669 CA ALA A 97 64.461 -5.163 6.135 1.00 0.00 C ATOM 670 C ALA A 97 64.375 -3.895 5.284 1.00 0.00 C ATOM 671 O ALA A 97 64.805 -3.875 4.146 1.00 0.00 O ATOM 672 CB ALA A 97 65.734 -5.148 6.978 1.00 0.00 C ATOM 0 H ALA A 97 65.389 -6.344 4.618 1.00 0.00 H new ATOM 0 HA ALA A 97 63.562 -5.200 6.750 1.00 0.00 H new ATOM 0 HB1 ALA A 97 65.713 -4.292 7.653 1.00 0.00 H new ATOM 0 HB2 ALA A 97 65.796 -6.068 7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 97 66.603 -5.073 6.324 1.00 0.00 H new ATOM 678 N VAL A 98 63.823 -2.839 5.826 1.00 0.00 N ATOM 679 CA VAL A 98 63.707 -1.573 5.050 1.00 0.00 C ATOM 680 C VAL A 98 64.819 -0.597 5.454 1.00 0.00 C ATOM 681 O VAL A 98 65.292 -0.610 6.575 1.00 0.00 O ATOM 682 CB VAL A 98 62.321 -1.016 5.399 1.00 0.00 C ATOM 683 CG1 VAL A 98 61.248 -2.030 4.997 1.00 0.00 C ATOM 684 CG2 VAL A 98 62.220 -0.738 6.905 1.00 0.00 C ATOM 0 H VAL A 98 63.448 -2.802 6.774 1.00 0.00 H new ATOM 0 HA VAL A 98 63.814 -1.732 3.977 1.00 0.00 H new ATOM 0 HB VAL A 98 62.170 -0.083 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 98 60.263 -1.635 5.245 1.00 0.00 H new ATOM 0 HG12 VAL A 98 61.306 -2.215 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 98 61.410 -2.964 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 98 61.231 -0.343 7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 98 62.380 -1.664 7.457 1.00 0.00 H new ATOM 0 HG23 VAL A 98 62.978 -0.009 7.192 1.00 0.00 H new ATOM 694 N PHE A 99 65.240 0.242 4.544 1.00 0.00 N ATOM 695 CA PHE A 99 66.322 1.220 4.863 1.00 0.00 C ATOM 696 C PHE A 99 66.154 2.483 4.019 1.00 0.00 C ATOM 697 O PHE A 99 65.902 2.413 2.832 1.00 0.00 O ATOM 698 CB PHE A 99 67.623 0.505 4.498 1.00 0.00 C ATOM 699 CG PHE A 99 67.908 -0.574 5.514 1.00 0.00 C ATOM 700 CD1 PHE A 99 68.342 -0.228 6.798 1.00 0.00 C ATOM 701 CD2 PHE A 99 67.739 -1.921 5.171 1.00 0.00 C ATOM 702 CE1 PHE A 99 68.607 -1.229 7.741 1.00 0.00 C ATOM 703 CE2 PHE A 99 68.004 -2.922 6.113 1.00 0.00 C ATOM 704 CZ PHE A 99 68.438 -2.576 7.398 1.00 0.00 C ATOM 0 H PHE A 99 64.880 0.292 3.591 1.00 0.00 H new ATOM 0 HA PHE A 99 66.305 1.528 5.908 1.00 0.00 H new ATOM 0 HB2 PHE A 99 67.544 0.069 3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 99 68.447 1.218 4.469 1.00 0.00 H new ATOM 0 HD1 PHE A 99 68.473 0.811 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 99 67.404 -2.188 4.179 1.00 0.00 H new ATOM 0 HE1 PHE A 99 68.942 -0.962 8.733 1.00 0.00 H new ATOM 0 HE2 PHE A 99 67.874 -3.961 5.848 1.00 0.00 H new ATOM 0 HZ PHE A 99 68.643 -3.348 8.125 1.00 0.00 H new ATOM 714 N ARG A 100 66.297 3.637 4.620 1.00 0.00 N ATOM 715 CA ARG A 100 66.152 4.905 3.847 1.00 0.00 C ATOM 716 C ARG A 100 67.516 5.322 3.278 1.00 0.00 C ATOM 717 O ARG A 100 68.549 5.007 3.838 1.00 0.00 O ATOM 718 CB ARG A 100 65.611 5.933 4.856 1.00 0.00 C ATOM 719 CG ARG A 100 66.655 6.231 5.941 1.00 0.00 C ATOM 720 CD ARG A 100 66.184 7.415 6.790 1.00 0.00 C ATOM 721 NE ARG A 100 66.540 8.631 5.995 1.00 0.00 N ATOM 722 CZ ARG A 100 65.964 9.795 6.224 1.00 0.00 C ATOM 723 NH1 ARG A 100 65.055 9.941 7.161 1.00 0.00 N ATOM 724 NH2 ARG A 100 66.306 10.827 5.503 1.00 0.00 N ATOM 0 H ARG A 100 66.508 3.755 5.611 1.00 0.00 H new ATOM 0 HA ARG A 100 65.479 4.810 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 100 65.346 6.854 4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 100 64.699 5.553 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 100 66.801 5.353 6.571 1.00 0.00 H new ATOM 0 HG3 ARG A 100 67.617 6.458 5.482 1.00 0.00 H new ATOM 0 HD2 ARG A 100 65.111 7.365 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 100 66.675 7.422 7.763 1.00 0.00 H new ATOM 0 HE ARG A 100 67.243 8.558 5.260 1.00 0.00 H new ATOM 0 HH11 ARG A 100 64.779 9.143 7.733 1.00 0.00 H new ATOM 0 HH12 ARG A 100 64.625 10.853 7.317 1.00 0.00 H new ATOM 0 HH21 ARG A 100 67.011 10.728 4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 100 65.868 11.733 5.670 1.00 0.00 H new ATOM 738 N LEU A 101 67.529 6.017 2.165 1.00 0.00 N ATOM 739 CA LEU A 101 68.831 6.445 1.550 1.00 0.00 C ATOM 740 C LEU A 101 69.720 7.154 2.581 1.00 0.00 C ATOM 741 O LEU A 101 69.243 7.886 3.428 1.00 0.00 O ATOM 742 CB LEU A 101 68.447 7.415 0.432 1.00 0.00 C ATOM 743 CG LEU A 101 69.692 7.781 -0.375 1.00 0.00 C ATOM 744 CD1 LEU A 101 70.195 6.546 -1.126 1.00 0.00 C ATOM 745 CD2 LEU A 101 69.342 8.881 -1.380 1.00 0.00 C ATOM 0 H LEU A 101 66.695 6.307 1.654 1.00 0.00 H new ATOM 0 HA LEU A 101 69.398 5.590 1.181 1.00 0.00 H new ATOM 0 HB2 LEU A 101 67.700 6.960 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 101 67.997 8.314 0.854 1.00 0.00 H new ATOM 0 HG LEU A 101 70.470 8.138 0.299 1.00 0.00 H new ATOM 0 HD11 LEU A 101 71.083 6.807 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 101 70.443 5.762 -0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 101 69.417 6.189 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 101 70.229 9.143 -1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 101 68.564 8.524 -2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 101 68.983 9.761 -0.846 1.00 0.00 H new ATOM 757 N LEU A 102 71.011 6.938 2.512 1.00 0.00 N ATOM 758 CA LEU A 102 71.946 7.591 3.484 1.00 0.00 C ATOM 759 C LEU A 102 71.782 9.115 3.455 1.00 0.00 C ATOM 760 O LEU A 102 72.254 9.781 2.553 1.00 0.00 O ATOM 761 CB LEU A 102 73.350 7.206 3.011 1.00 0.00 C ATOM 762 CG LEU A 102 73.655 5.769 3.432 1.00 0.00 C ATOM 763 CD1 LEU A 102 73.290 4.814 2.295 1.00 0.00 C ATOM 764 CD2 LEU A 102 75.147 5.637 3.747 1.00 0.00 C ATOM 0 H LEU A 102 71.460 6.336 1.822 1.00 0.00 H new ATOM 0 HA LEU A 102 71.751 7.270 4.507 1.00 0.00 H new ATOM 0 HB2 LEU A 102 73.419 7.301 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 102 74.088 7.885 3.438 1.00 0.00 H new ATOM 0 HG LEU A 102 73.071 5.519 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 102 73.508 3.789 2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 102 72.228 4.907 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 102 73.874 5.063 1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 102 75.366 4.612 4.048 1.00 0.00 H new ATOM 0 HD22 LEU A 102 75.730 5.888 2.861 1.00 0.00 H new ATOM 0 HD23 LEU A 102 75.409 6.317 4.558 1.00 0.00 H new ATOM 776 N GLN A 103 71.119 9.666 4.440 1.00 0.00 N ATOM 777 CA GLN A 103 70.924 11.147 4.481 1.00 0.00 C ATOM 778 C GLN A 103 72.240 11.840 4.853 1.00 0.00 C ATOM 779 O GLN A 103 72.372 12.414 5.916 1.00 0.00 O ATOM 780 CB GLN A 103 69.857 11.387 5.557 1.00 0.00 C ATOM 781 CG GLN A 103 70.324 10.818 6.905 1.00 0.00 C ATOM 782 CD GLN A 103 70.001 11.811 8.025 1.00 0.00 C ATOM 783 OE1 GLN A 103 69.059 11.525 8.882 1.00 0.00 O flip ATOM 784 NE2 GLN A 103 70.613 12.856 8.121 1.00 0.00 N flip ATOM 0 H GLN A 103 70.704 9.154 5.218 1.00 0.00 H new ATOM 0 HA GLN A 103 70.615 11.550 3.516 1.00 0.00 H new ATOM 0 HB2 GLN A 103 69.661 12.455 5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 103 68.919 10.917 5.261 1.00 0.00 H new ATOM 0 HG2 GLN A 103 69.832 9.865 7.098 1.00 0.00 H new ATOM 0 HG3 GLN A 103 71.396 10.623 6.877 1.00 0.00 H new ATOM 0 HE21 GLN A 103 71.349 13.079 7.451 1.00 0.00 H new ATOM 0 HE22 GLN A 103 70.391 13.510 8.871 1.00 0.00 H new ATOM 793 N GLU A 104 73.218 11.785 3.979 1.00 0.00 N ATOM 794 CA GLU A 104 74.543 12.433 4.262 1.00 0.00 C ATOM 795 C GLU A 104 75.115 11.926 5.593 1.00 0.00 C ATOM 796 O GLU A 104 75.275 12.677 6.538 1.00 0.00 O ATOM 797 CB GLU A 104 74.259 13.938 4.332 1.00 0.00 C ATOM 798 CG GLU A 104 75.569 14.712 4.172 1.00 0.00 C ATOM 799 CD GLU A 104 75.476 16.037 4.931 1.00 0.00 C ATOM 800 OE1 GLU A 104 75.673 16.022 6.134 1.00 0.00 O ATOM 801 OE2 GLU A 104 75.208 17.043 4.295 1.00 0.00 O ATOM 0 H GLU A 104 73.156 11.316 3.075 1.00 0.00 H new ATOM 0 HA GLU A 104 75.280 12.200 3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 104 73.557 14.223 3.548 1.00 0.00 H new ATOM 0 HB3 GLU A 104 73.791 14.187 5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 104 76.402 14.121 4.553 1.00 0.00 H new ATOM 0 HG3 GLU A 104 75.767 14.899 3.116 1.00 0.00 H new ATOM 808 N HIS A 105 75.423 10.656 5.667 1.00 0.00 N ATOM 809 CA HIS A 105 75.985 10.087 6.929 1.00 0.00 C ATOM 810 C HIS A 105 77.390 9.530 6.677 1.00 0.00 C ATOM 811 O HIS A 105 78.063 9.923 5.743 1.00 0.00 O ATOM 812 CB HIS A 105 75.021 8.963 7.317 1.00 0.00 C ATOM 813 CG HIS A 105 74.872 8.920 8.814 1.00 0.00 C ATOM 814 ND1 HIS A 105 73.786 8.319 9.431 1.00 0.00 N ATOM 815 CD2 HIS A 105 75.662 9.398 9.829 1.00 0.00 C ATOM 816 CE1 HIS A 105 73.951 8.450 10.760 1.00 0.00 C ATOM 817 NE2 HIS A 105 75.079 9.100 11.057 1.00 0.00 N ATOM 0 H HIS A 105 75.309 9.987 4.906 1.00 0.00 H new ATOM 0 HA HIS A 105 76.078 10.835 7.717 1.00 0.00 H new ATOM 0 HB2 HIS A 105 74.050 9.125 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 105 75.395 8.007 6.951 1.00 0.00 H new ATOM 0 HD2 HIS A 105 76.595 9.926 9.695 1.00 0.00 H new ATOM 0 HE1 HIS A 105 73.256 8.075 11.497 1.00 0.00 H new ATOM 0 HE2 HIS A 105 75.436 9.329 11.984 1.00 0.00 H new ATOM 825 N LYS A 106 77.835 8.618 7.506 1.00 0.00 N ATOM 826 CA LYS A 106 79.199 8.032 7.320 1.00 0.00 C ATOM 827 C LYS A 106 79.269 7.265 5.995 1.00 0.00 C ATOM 828 O LYS A 106 79.836 7.736 5.027 1.00 0.00 O ATOM 829 CB LYS A 106 79.397 7.082 8.506 1.00 0.00 C ATOM 830 CG LYS A 106 80.139 7.812 9.627 1.00 0.00 C ATOM 831 CD LYS A 106 80.849 6.791 10.519 1.00 0.00 C ATOM 832 CE LYS A 106 82.281 6.585 10.020 1.00 0.00 C ATOM 833 NZ LYS A 106 82.866 5.571 10.940 1.00 0.00 N ATOM 0 H LYS A 106 77.313 8.254 8.303 1.00 0.00 H new ATOM 0 HA LYS A 106 79.974 8.798 7.285 1.00 0.00 H new ATOM 0 HB2 LYS A 106 78.431 6.727 8.866 1.00 0.00 H new ATOM 0 HB3 LYS A 106 79.963 6.205 8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 106 80.864 8.508 9.205 1.00 0.00 H new ATOM 0 HG3 LYS A 106 79.438 8.402 10.218 1.00 0.00 H new ATOM 0 HD2 LYS A 106 80.859 7.139 11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 106 80.309 5.844 10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 106 82.293 6.235 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 106 82.847 7.516 10.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 83.849 5.376 10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 82.847 5.934 11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 82.311 4.693 10.887 1.00 0.00 H new ATOM 847 N GLY A 107 78.696 6.087 5.946 1.00 0.00 N ATOM 848 CA GLY A 107 78.726 5.286 4.686 1.00 0.00 C ATOM 849 C GLY A 107 77.845 4.045 4.842 1.00 0.00 C ATOM 850 O GLY A 107 78.141 2.994 4.307 1.00 0.00 O ATOM 0 H GLY A 107 78.209 5.646 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 107 78.374 5.891 3.851 1.00 0.00 H new ATOM 0 HA3 GLY A 107 79.750 4.990 4.456 1.00 0.00 H new ATOM 854 N LYS A 108 76.763 4.161 5.571 1.00 0.00 N ATOM 855 CA LYS A 108 75.855 2.991 5.766 1.00 0.00 C ATOM 856 C LYS A 108 74.392 3.426 5.626 1.00 0.00 C ATOM 857 O LYS A 108 74.010 4.493 6.068 1.00 0.00 O ATOM 858 CB LYS A 108 76.142 2.492 7.187 1.00 0.00 C ATOM 859 CG LYS A 108 75.874 3.610 8.202 1.00 0.00 C ATOM 860 CD LYS A 108 76.049 3.064 9.621 1.00 0.00 C ATOM 861 CE LYS A 108 75.272 3.941 10.605 1.00 0.00 C ATOM 862 NZ LYS A 108 73.949 3.273 10.753 1.00 0.00 N ATOM 0 H LYS A 108 76.470 5.018 6.040 1.00 0.00 H new ATOM 0 HA LYS A 108 76.023 2.210 5.024 1.00 0.00 H new ATOM 0 HB2 LYS A 108 75.515 1.629 7.411 1.00 0.00 H new ATOM 0 HB3 LYS A 108 77.178 2.162 7.263 1.00 0.00 H new ATOM 0 HG2 LYS A 108 76.559 4.441 8.033 1.00 0.00 H new ATOM 0 HG3 LYS A 108 74.864 3.999 8.073 1.00 0.00 H new ATOM 0 HD2 LYS A 108 75.691 2.036 9.673 1.00 0.00 H new ATOM 0 HD3 LYS A 108 77.106 3.048 9.888 1.00 0.00 H new ATOM 0 HE2 LYS A 108 75.788 4.012 11.563 1.00 0.00 H new ATOM 0 HE3 LYS A 108 75.161 4.957 10.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 73.358 3.816 11.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 73.479 3.225 9.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 74.086 2.310 11.122 1.00 0.00 H new ATOM 876 N LYS A 109 73.573 2.605 5.016 1.00 0.00 N ATOM 877 CA LYS A 109 72.128 2.963 4.843 1.00 0.00 C ATOM 878 C LYS A 109 71.477 3.223 6.207 1.00 0.00 C ATOM 879 O LYS A 109 71.866 2.650 7.207 1.00 0.00 O ATOM 880 CB LYS A 109 71.483 1.749 4.161 1.00 0.00 C ATOM 881 CG LYS A 109 71.682 0.490 5.021 1.00 0.00 C ATOM 882 CD LYS A 109 72.677 -0.455 4.339 1.00 0.00 C ATOM 883 CE LYS A 109 73.518 -1.168 5.402 1.00 0.00 C ATOM 884 NZ LYS A 109 73.630 -2.574 4.923 1.00 0.00 N ATOM 0 H LYS A 109 73.842 1.700 4.629 1.00 0.00 H new ATOM 0 HA LYS A 109 72.002 3.870 4.252 1.00 0.00 H new ATOM 0 HB2 LYS A 109 70.419 1.930 4.009 1.00 0.00 H new ATOM 0 HB3 LYS A 109 71.924 1.599 3.176 1.00 0.00 H new ATOM 0 HG2 LYS A 109 72.050 0.768 6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 109 70.728 -0.016 5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 109 72.143 -1.186 3.733 1.00 0.00 H new ATOM 0 HD3 LYS A 109 73.324 0.106 3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 109 74.500 -0.706 5.504 1.00 0.00 H new ATOM 0 HE3 LYS A 109 73.040 -1.121 6.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 74.194 -3.127 5.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 72.680 -2.990 4.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 74.095 -2.588 3.993 1.00 0.00 H new ATOM 898 N ALA A 110 70.493 4.085 6.250 1.00 0.00 N ATOM 899 CA ALA A 110 69.815 4.388 7.545 1.00 0.00 C ATOM 900 C ALA A 110 68.639 3.431 7.762 1.00 0.00 C ATOM 901 O ALA A 110 68.003 2.993 6.822 1.00 0.00 O ATOM 902 CB ALA A 110 69.321 5.830 7.409 1.00 0.00 C ATOM 0 H ALA A 110 70.130 4.592 5.443 1.00 0.00 H new ATOM 0 HA ALA A 110 70.482 4.268 8.399 1.00 0.00 H new ATOM 0 HB1 ALA A 110 68.810 6.127 8.325 1.00 0.00 H new ATOM 0 HB2 ALA A 110 70.170 6.491 7.237 1.00 0.00 H new ATOM 0 HB3 ALA A 110 68.630 5.900 6.569 1.00 0.00 H new ATOM 908 N ARG A 111 68.350 3.105 8.996 1.00 0.00 N ATOM 909 CA ARG A 111 67.216 2.173 9.286 1.00 0.00 C ATOM 910 C ARG A 111 65.878 2.865 9.018 1.00 0.00 C ATOM 911 O ARG A 111 65.807 4.074 8.899 1.00 0.00 O ATOM 912 CB ARG A 111 67.349 1.825 10.774 1.00 0.00 C ATOM 913 CG ARG A 111 67.186 0.314 10.973 1.00 0.00 C ATOM 914 CD ARG A 111 68.564 -0.338 11.120 1.00 0.00 C ATOM 915 NE ARG A 111 68.806 -0.411 12.595 1.00 0.00 N ATOM 916 CZ ARG A 111 69.702 -1.233 13.106 1.00 0.00 C ATOM 917 NH1 ARG A 111 70.424 -2.023 12.345 1.00 0.00 N ATOM 918 NH2 ARG A 111 69.876 -1.262 14.399 1.00 0.00 N ATOM 0 H ARG A 111 68.851 3.444 9.817 1.00 0.00 H new ATOM 0 HA ARG A 111 67.247 1.284 8.656 1.00 0.00 H new ATOM 0 HB2 ARG A 111 68.322 2.147 11.146 1.00 0.00 H new ATOM 0 HB3 ARG A 111 66.594 2.360 11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 111 66.583 0.117 11.860 1.00 0.00 H new ATOM 0 HG3 ARG A 111 66.656 -0.119 10.125 1.00 0.00 H new ATOM 0 HD2 ARG A 111 68.581 -1.330 10.668 1.00 0.00 H new ATOM 0 HD3 ARG A 111 69.334 0.252 10.623 1.00 0.00 H new ATOM 0 HE ARG A 111 68.266 0.188 13.219 1.00 0.00 H new ATOM 0 HH11 ARG A 111 70.299 -2.010 11.333 1.00 0.00 H new ATOM 0 HH12 ARG A 111 71.110 -2.649 12.766 1.00 0.00 H new ATOM 0 HH21 ARG A 111 69.322 -0.653 15.002 1.00 0.00 H new ATOM 0 HH22 ARG A 111 70.566 -1.893 14.807 1.00 0.00 H new ATOM 932 N LEU A 112 64.818 2.104 8.930 1.00 0.00 N ATOM 933 CA LEU A 112 63.475 2.706 8.679 1.00 0.00 C ATOM 934 C LEU A 112 62.385 1.844 9.321 1.00 0.00 C ATOM 935 O LEU A 112 62.461 0.629 9.317 1.00 0.00 O ATOM 936 CB LEU A 112 63.316 2.724 7.151 1.00 0.00 C ATOM 937 CG LEU A 112 62.876 4.117 6.682 1.00 0.00 C ATOM 938 CD1 LEU A 112 62.697 4.106 5.164 1.00 0.00 C ATOM 939 CD2 LEU A 112 61.544 4.495 7.341 1.00 0.00 C ATOM 0 H LEU A 112 64.825 1.088 9.022 1.00 0.00 H new ATOM 0 HA LEU A 112 63.387 3.705 9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 112 64.259 2.453 6.676 1.00 0.00 H new ATOM 0 HB3 LEU A 112 62.580 1.980 6.846 1.00 0.00 H new ATOM 0 HG LEU A 112 63.637 4.845 6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 112 62.384 5.094 4.827 1.00 0.00 H new ATOM 0 HD12 LEU A 112 63.642 3.843 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 112 61.937 3.373 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 112 61.239 5.485 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 112 60.782 3.766 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 112 61.663 4.503 8.424 1.00 0.00 H new ATOM 951 N ASP A 113 61.370 2.465 9.865 1.00 0.00 N ATOM 952 CA ASP A 113 60.266 1.687 10.503 1.00 0.00 C ATOM 953 C ASP A 113 59.462 0.944 9.430 1.00 0.00 C ATOM 954 O ASP A 113 59.586 1.219 8.251 1.00 0.00 O ATOM 955 CB ASP A 113 59.392 2.727 11.216 1.00 0.00 C ATOM 956 CG ASP A 113 58.880 3.764 10.210 1.00 0.00 C ATOM 957 OD1 ASP A 113 59.673 4.587 9.783 1.00 0.00 O ATOM 958 OD2 ASP A 113 57.706 3.714 9.884 1.00 0.00 O ATOM 0 H ASP A 113 61.258 3.478 9.895 1.00 0.00 H new ATOM 0 HA ASP A 113 60.639 0.936 11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 113 58.550 2.234 11.702 1.00 0.00 H new ATOM 0 HB3 ASP A 113 59.967 3.221 11.999 1.00 0.00 H new ATOM 963 N TRP A 114 58.642 0.008 9.832 1.00 0.00 N ATOM 964 CA TRP A 114 57.827 -0.758 8.841 1.00 0.00 C ATOM 965 C TRP A 114 56.429 -0.142 8.720 1.00 0.00 C ATOM 966 O TRP A 114 55.454 -0.841 8.513 1.00 0.00 O ATOM 967 CB TRP A 114 57.739 -2.181 9.412 1.00 0.00 C ATOM 968 CG TRP A 114 58.571 -3.116 8.590 1.00 0.00 C ATOM 969 CD1 TRP A 114 59.665 -3.776 9.035 1.00 0.00 C ATOM 970 CD2 TRP A 114 58.394 -3.507 7.198 1.00 0.00 C ATOM 971 NE1 TRP A 114 60.171 -4.547 8.004 1.00 0.00 N ATOM 972 CE2 TRP A 114 59.422 -4.415 6.851 1.00 0.00 C ATOM 973 CE3 TRP A 114 57.451 -3.166 6.210 1.00 0.00 C ATOM 974 CZ2 TRP A 114 59.512 -4.966 5.573 1.00 0.00 C ATOM 975 CZ3 TRP A 114 57.539 -3.719 4.922 1.00 0.00 C ATOM 976 CH2 TRP A 114 58.568 -4.617 4.604 1.00 0.00 C ATOM 0 H TRP A 114 58.501 -0.260 10.806 1.00 0.00 H new ATOM 0 HA TRP A 114 58.269 -0.746 7.845 1.00 0.00 H new ATOM 0 HB2 TRP A 114 58.083 -2.188 10.446 1.00 0.00 H new ATOM 0 HB3 TRP A 114 56.702 -2.515 9.419 1.00 0.00 H new ATOM 0 HD1 TRP A 114 60.076 -3.711 10.032 1.00 0.00 H new ATOM 0 HE1 TRP A 114 60.997 -5.141 8.085 1.00 0.00 H new ATOM 0 HE3 TRP A 114 56.655 -2.475 6.444 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 60.306 -5.658 5.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 56.810 -3.451 4.172 1.00 0.00 H new ATOM 0 HH2 TRP A 114 58.631 -5.038 3.611 1.00 0.00 H new ATOM 987 N ASN A 115 56.324 1.158 8.852 1.00 0.00 N ATOM 988 CA ASN A 115 54.986 1.813 8.748 1.00 0.00 C ATOM 989 C ASN A 115 55.125 3.293 8.371 1.00 0.00 C ATOM 990 O ASN A 115 54.237 4.084 8.631 1.00 0.00 O ATOM 991 CB ASN A 115 54.372 1.674 10.141 1.00 0.00 C ATOM 992 CG ASN A 115 53.507 0.413 10.195 1.00 0.00 C ATOM 993 OD1 ASN A 115 53.934 -0.610 10.692 1.00 0.00 O ATOM 994 ND2 ASN A 115 52.299 0.443 9.701 1.00 0.00 N ATOM 0 H ASN A 115 57.105 1.791 9.027 1.00 0.00 H new ATOM 0 HA ASN A 115 54.370 1.355 7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 115 55.159 1.620 10.893 1.00 0.00 H new ATOM 0 HB3 ASN A 115 53.769 2.552 10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 115 51.714 -0.392 9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 115 51.940 1.302 9.284 1.00 0.00 H new ATOM 1001 N THR A 116 56.220 3.673 7.756 1.00 0.00 N ATOM 1002 CA THR A 116 56.391 5.105 7.362 1.00 0.00 C ATOM 1003 C THR A 116 55.535 5.406 6.126 1.00 0.00 C ATOM 1004 O THR A 116 55.131 4.508 5.412 1.00 0.00 O ATOM 1005 CB THR A 116 57.889 5.285 7.069 1.00 0.00 C ATOM 1006 OG1 THR A 116 58.144 6.647 6.758 1.00 0.00 O ATOM 1007 CG2 THR A 116 58.318 4.408 5.889 1.00 0.00 C ATOM 0 H THR A 116 56.996 3.058 7.512 1.00 0.00 H new ATOM 0 HA THR A 116 56.069 5.792 8.144 1.00 0.00 H new ATOM 0 HB THR A 116 58.457 4.988 7.950 1.00 0.00 H new ATOM 0 HG1 THR A 116 59.099 6.767 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 116 59.382 4.550 5.698 1.00 0.00 H new ATOM 0 HG22 THR A 116 58.129 3.361 6.126 1.00 0.00 H new ATOM 0 HG23 THR A 116 57.749 4.688 5.002 1.00 0.00 H new ATOM 1015 N ASP A 117 55.248 6.658 5.880 1.00 0.00 N ATOM 1016 CA ASP A 117 54.405 7.019 4.700 1.00 0.00 C ATOM 1017 C ASP A 117 55.274 7.247 3.461 1.00 0.00 C ATOM 1018 O ASP A 117 56.066 8.170 3.409 1.00 0.00 O ATOM 1019 CB ASP A 117 53.698 8.313 5.103 1.00 0.00 C ATOM 1020 CG ASP A 117 52.353 7.980 5.751 1.00 0.00 C ATOM 1021 OD1 ASP A 117 51.538 7.358 5.091 1.00 0.00 O ATOM 1022 OD2 ASP A 117 52.161 8.354 6.896 1.00 0.00 O ATOM 0 H ASP A 117 55.561 7.447 6.445 1.00 0.00 H new ATOM 0 HA ASP A 117 53.702 6.227 4.444 1.00 0.00 H new ATOM 0 HB2 ASP A 117 54.319 8.877 5.799 1.00 0.00 H new ATOM 0 HB3 ASP A 117 53.545 8.944 4.228 1.00 0.00 H new ATOM 1027 N ALA A 118 55.120 6.419 2.458 1.00 0.00 N ATOM 1028 CA ALA A 118 55.923 6.590 1.209 1.00 0.00 C ATOM 1029 C ALA A 118 55.412 7.803 0.427 1.00 0.00 C ATOM 1030 O ALA A 118 56.151 8.437 -0.303 1.00 0.00 O ATOM 1031 CB ALA A 118 55.709 5.305 0.408 1.00 0.00 C ATOM 0 H ALA A 118 54.472 5.631 2.451 1.00 0.00 H new ATOM 0 HA ALA A 118 56.979 6.760 1.417 1.00 0.00 H new ATOM 0 HB1 ALA A 118 56.270 5.360 -0.525 1.00 0.00 H new ATOM 0 HB2 ALA A 118 56.055 4.451 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 118 54.648 5.187 0.186 1.00 0.00 H new ATOM 1037 N ALA A 119 54.153 8.135 0.585 1.00 0.00 N ATOM 1038 CA ALA A 119 53.587 9.317 -0.137 1.00 0.00 C ATOM 1039 C ALA A 119 54.220 10.619 0.376 1.00 0.00 C ATOM 1040 O ALA A 119 54.078 11.664 -0.232 1.00 0.00 O ATOM 1041 CB ALA A 119 52.091 9.290 0.159 1.00 0.00 C ATOM 0 H ALA A 119 53.493 7.638 1.183 1.00 0.00 H new ATOM 0 HA ALA A 119 53.789 9.275 -1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 119 51.606 10.130 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 119 51.664 8.356 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 119 51.932 9.365 1.235 1.00 0.00 H new ATOM 1047 N SER A 120 54.930 10.564 1.478 1.00 0.00 N ATOM 1048 CA SER A 120 55.594 11.788 2.011 1.00 0.00 C ATOM 1049 C SER A 120 57.108 11.689 1.777 1.00 0.00 C ATOM 1050 O SER A 120 57.808 12.684 1.762 1.00 0.00 O ATOM 1051 CB SER A 120 55.273 11.803 3.505 1.00 0.00 C ATOM 1052 OG SER A 120 55.088 13.146 3.932 1.00 0.00 O ATOM 0 H SER A 120 55.076 9.719 2.031 1.00 0.00 H new ATOM 0 HA SER A 120 55.249 12.700 1.524 1.00 0.00 H new ATOM 0 HB2 SER A 120 54.373 11.220 3.701 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.083 11.339 4.067 1.00 0.00 H new ATOM 0 HG SER A 120 54.880 13.159 4.890 1.00 0.00 H new ATOM 1058 N LEU A 121 57.611 10.492 1.580 1.00 0.00 N ATOM 1059 CA LEU A 121 59.069 10.310 1.329 1.00 0.00 C ATOM 1060 C LEU A 121 59.370 10.407 -0.174 1.00 0.00 C ATOM 1061 O LEU A 121 60.517 10.473 -0.571 1.00 0.00 O ATOM 1062 CB LEU A 121 59.371 8.903 1.834 1.00 0.00 C ATOM 1063 CG LEU A 121 60.863 8.777 2.141 1.00 0.00 C ATOM 1064 CD1 LEU A 121 61.219 9.682 3.323 1.00 0.00 C ATOM 1065 CD2 LEU A 121 61.188 7.325 2.496 1.00 0.00 C ATOM 0 H LEU A 121 57.066 9.630 1.583 1.00 0.00 H new ATOM 0 HA LEU A 121 59.672 11.071 1.824 1.00 0.00 H new ATOM 0 HB2 LEU A 121 58.786 8.694 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 121 59.080 8.167 1.085 1.00 0.00 H new ATOM 0 HG LEU A 121 61.441 9.077 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 121 62.283 9.592 3.542 1.00 0.00 H new ATOM 0 HD12 LEU A 121 60.986 10.717 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 121 60.642 9.382 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 121 62.252 7.233 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 121 60.610 7.026 3.371 1.00 0.00 H new ATOM 0 HD23 LEU A 121 60.934 6.679 1.655 1.00 0.00 H new ATOM 1077 N ILE A 122 58.345 10.412 -1.012 1.00 0.00 N ATOM 1078 CA ILE A 122 58.543 10.509 -2.509 1.00 0.00 C ATOM 1079 C ILE A 122 59.610 11.574 -2.834 1.00 0.00 C ATOM 1080 O ILE A 122 59.783 12.535 -2.109 1.00 0.00 O ATOM 1081 CB ILE A 122 57.133 10.825 -3.143 1.00 0.00 C ATOM 1082 CG1 ILE A 122 57.273 11.572 -4.500 1.00 0.00 C ATOM 1083 CG2 ILE A 122 56.212 11.635 -2.197 1.00 0.00 C ATOM 1084 CD1 ILE A 122 57.547 13.069 -4.282 1.00 0.00 C ATOM 0 H ILE A 122 57.370 10.352 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 122 58.918 9.578 -2.934 1.00 0.00 H new ATOM 0 HB ILE A 122 56.664 9.856 -3.312 1.00 0.00 H new ATOM 0 HG12 ILE A 122 58.084 11.131 -5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 122 56.361 11.447 -5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 122 55.258 11.821 -2.690 1.00 0.00 H new ATOM 0 HG22 ILE A 122 56.043 11.069 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 122 56.686 12.586 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 122 57.640 13.566 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 122 56.722 13.512 -3.724 1.00 0.00 H new ATOM 0 HD13 ILE A 122 58.473 13.191 -3.720 1.00 0.00 H new ATOM 1096 N GLY A 123 60.342 11.372 -3.896 1.00 0.00 N ATOM 1097 CA GLY A 123 61.427 12.327 -4.257 1.00 0.00 C ATOM 1098 C GLY A 123 62.759 11.692 -3.856 1.00 0.00 C ATOM 1099 O GLY A 123 63.766 11.856 -4.518 1.00 0.00 O ATOM 0 H GLY A 123 60.234 10.582 -4.532 1.00 0.00 H new ATOM 0 HA2 GLY A 123 61.411 12.538 -5.326 1.00 0.00 H new ATOM 0 HA3 GLY A 123 61.286 13.278 -3.743 1.00 0.00 H new ATOM 1103 N GLU A 124 62.754 10.946 -2.778 1.00 0.00 N ATOM 1104 CA GLU A 124 63.994 10.263 -2.316 1.00 0.00 C ATOM 1105 C GLU A 124 63.954 8.796 -2.753 1.00 0.00 C ATOM 1106 O GLU A 124 63.142 8.411 -3.579 1.00 0.00 O ATOM 1107 CB GLU A 124 63.963 10.374 -0.791 1.00 0.00 C ATOM 1108 CG GLU A 124 64.791 11.582 -0.349 1.00 0.00 C ATOM 1109 CD GLU A 124 64.655 11.770 1.163 1.00 0.00 C ATOM 1110 OE1 GLU A 124 65.266 11.005 1.891 1.00 0.00 O ATOM 1111 OE2 GLU A 124 63.944 12.675 1.566 1.00 0.00 O ATOM 0 H GLU A 124 61.933 10.782 -2.195 1.00 0.00 H new ATOM 0 HA GLU A 124 64.901 10.703 -2.730 1.00 0.00 H new ATOM 0 HB2 GLU A 124 62.935 10.478 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 124 64.360 9.464 -0.342 1.00 0.00 H new ATOM 0 HG2 GLU A 124 65.838 11.435 -0.615 1.00 0.00 H new ATOM 0 HG3 GLU A 124 64.452 12.478 -0.869 1.00 0.00 H new ATOM 1118 N GLU A 125 64.818 7.972 -2.212 1.00 0.00 N ATOM 1119 CA GLU A 125 64.816 6.531 -2.615 1.00 0.00 C ATOM 1120 C GLU A 125 64.960 5.623 -1.391 1.00 0.00 C ATOM 1121 O GLU A 125 65.884 5.754 -0.611 1.00 0.00 O ATOM 1122 CB GLU A 125 66.022 6.348 -3.553 1.00 0.00 C ATOM 1123 CG GLU A 125 66.048 7.443 -4.628 1.00 0.00 C ATOM 1124 CD GLU A 125 67.058 7.070 -5.716 1.00 0.00 C ATOM 1125 OE1 GLU A 125 68.059 6.455 -5.384 1.00 0.00 O ATOM 1126 OE2 GLU A 125 66.815 7.406 -6.863 1.00 0.00 O ATOM 0 H GLU A 125 65.517 8.231 -1.516 1.00 0.00 H new ATOM 0 HA GLU A 125 63.879 6.264 -3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 125 66.946 6.378 -2.975 1.00 0.00 H new ATOM 0 HB3 GLU A 125 65.974 5.368 -4.027 1.00 0.00 H new ATOM 0 HG2 GLU A 125 65.056 7.562 -5.064 1.00 0.00 H new ATOM 0 HG3 GLU A 125 66.317 8.400 -4.181 1.00 0.00 H new ATOM 1133 N LEU A 126 64.056 4.692 -1.235 1.00 0.00 N ATOM 1134 CA LEU A 126 64.130 3.748 -0.083 1.00 0.00 C ATOM 1135 C LEU A 126 64.839 2.468 -0.532 1.00 0.00 C ATOM 1136 O LEU A 126 64.827 2.131 -1.700 1.00 0.00 O ATOM 1137 CB LEU A 126 62.671 3.463 0.289 1.00 0.00 C ATOM 1138 CG LEU A 126 62.608 2.462 1.456 1.00 0.00 C ATOM 1139 CD1 LEU A 126 61.688 3.002 2.552 1.00 0.00 C ATOM 1140 CD2 LEU A 126 62.064 1.119 0.958 1.00 0.00 C ATOM 0 H LEU A 126 63.264 4.545 -1.861 1.00 0.00 H new ATOM 0 HA LEU A 126 64.685 4.149 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 126 62.171 4.391 0.568 1.00 0.00 H new ATOM 0 HB3 LEU A 126 62.139 3.061 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 126 63.612 2.323 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 126 61.647 2.290 3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 126 62.074 3.955 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 126 60.686 3.147 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 126 62.021 0.414 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 126 61.063 1.261 0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 126 62.720 0.726 0.181 1.00 0.00 H new ATOM 1152 N GLN A 127 65.462 1.761 0.376 1.00 0.00 N ATOM 1153 CA GLN A 127 66.174 0.509 -0.016 1.00 0.00 C ATOM 1154 C GLN A 127 65.790 -0.641 0.918 1.00 0.00 C ATOM 1155 O GLN A 127 65.381 -0.430 2.044 1.00 0.00 O ATOM 1156 CB GLN A 127 67.663 0.840 0.119 1.00 0.00 C ATOM 1157 CG GLN A 127 68.492 -0.405 -0.206 1.00 0.00 C ATOM 1158 CD GLN A 127 69.790 0.007 -0.903 1.00 0.00 C ATOM 1159 OE1 GLN A 127 70.551 0.796 -0.379 1.00 0.00 O ATOM 1160 NE2 GLN A 127 70.078 -0.499 -2.071 1.00 0.00 N ATOM 0 H GLN A 127 65.508 1.996 1.368 1.00 0.00 H new ATOM 0 HA GLN A 127 65.917 0.190 -1.026 1.00 0.00 H new ATOM 0 HB2 GLN A 127 67.929 1.654 -0.556 1.00 0.00 H new ATOM 0 HB3 GLN A 127 67.881 1.181 1.131 1.00 0.00 H new ATOM 0 HG2 GLN A 127 68.717 -0.953 0.709 1.00 0.00 H new ATOM 0 HG3 GLN A 127 67.921 -1.077 -0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 127 69.439 -1.161 -2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 127 70.942 -0.232 -2.544 1.00 0.00 H new ATOM 1169 N VAL A 128 65.919 -1.857 0.447 1.00 0.00 N ATOM 1170 CA VAL A 128 65.561 -3.032 1.296 1.00 0.00 C ATOM 1171 C VAL A 128 66.518 -4.193 1.021 1.00 0.00 C ATOM 1172 O VAL A 128 66.918 -4.424 -0.104 1.00 0.00 O ATOM 1173 CB VAL A 128 64.136 -3.400 0.883 1.00 0.00 C ATOM 1174 CG1 VAL A 128 63.632 -4.546 1.758 1.00 0.00 C ATOM 1175 CG2 VAL A 128 63.227 -2.182 1.064 1.00 0.00 C ATOM 0 H VAL A 128 66.257 -2.085 -0.488 1.00 0.00 H new ATOM 0 HA VAL A 128 65.631 -2.809 2.361 1.00 0.00 H new ATOM 0 HB VAL A 128 64.127 -3.711 -0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 128 62.616 -4.809 1.464 1.00 0.00 H new ATOM 0 HG12 VAL A 128 64.282 -5.412 1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 128 63.638 -4.236 2.803 1.00 0.00 H new ATOM 0 HG21 VAL A 128 62.210 -2.440 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 128 63.236 -1.874 2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 128 63.587 -1.363 0.441 1.00 0.00 H new ATOM 1185 N ASP A 129 66.886 -4.924 2.043 1.00 0.00 N ATOM 1186 CA ASP A 129 67.817 -6.075 1.851 1.00 0.00 C ATOM 1187 C ASP A 129 67.540 -7.158 2.896 1.00 0.00 C ATOM 1188 O ASP A 129 66.579 -7.082 3.639 1.00 0.00 O ATOM 1189 CB ASP A 129 69.217 -5.489 2.041 1.00 0.00 C ATOM 1190 CG ASP A 129 70.187 -6.158 1.066 1.00 0.00 C ATOM 1191 OD1 ASP A 129 70.080 -5.894 -0.120 1.00 0.00 O ATOM 1192 OD2 ASP A 129 71.021 -6.923 1.522 1.00 0.00 O ATOM 0 H ASP A 129 66.580 -4.772 3.004 1.00 0.00 H new ATOM 0 HA ASP A 129 67.701 -6.542 0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 129 69.198 -4.413 1.871 1.00 0.00 H new ATOM 0 HB3 ASP A 129 69.551 -5.644 3.067 1.00 0.00 H new ATOM 1197 N PHE A 130 68.376 -8.163 2.957 1.00 0.00 N ATOM 1198 CA PHE A 130 68.169 -9.257 3.951 1.00 0.00 C ATOM 1199 C PHE A 130 68.827 -8.892 5.285 1.00 0.00 C ATOM 1200 O PHE A 130 70.038 -8.851 5.398 1.00 0.00 O ATOM 1201 CB PHE A 130 68.844 -10.484 3.337 1.00 0.00 C ATOM 1202 CG PHE A 130 67.937 -11.088 2.292 1.00 0.00 C ATOM 1203 CD1 PHE A 130 66.628 -11.455 2.627 1.00 0.00 C ATOM 1204 CD2 PHE A 130 68.405 -11.281 0.986 1.00 0.00 C ATOM 1205 CE1 PHE A 130 65.788 -12.015 1.658 1.00 0.00 C ATOM 1206 CE2 PHE A 130 67.565 -11.841 0.017 1.00 0.00 C ATOM 1207 CZ PHE A 130 66.256 -12.208 0.353 1.00 0.00 C ATOM 0 H PHE A 130 69.195 -8.272 2.359 1.00 0.00 H new ATOM 0 HA PHE A 130 67.113 -9.434 4.156 1.00 0.00 H new ATOM 0 HB2 PHE A 130 69.796 -10.202 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 130 69.062 -11.218 4.112 1.00 0.00 H new ATOM 0 HD1 PHE A 130 66.266 -11.306 3.634 1.00 0.00 H new ATOM 0 HD2 PHE A 130 69.414 -10.998 0.727 1.00 0.00 H new ATOM 0 HE1 PHE A 130 64.779 -12.298 1.917 1.00 0.00 H new ATOM 0 HE2 PHE A 130 67.926 -11.990 -0.990 1.00 0.00 H new ATOM 0 HZ PHE A 130 65.608 -12.640 -0.395 1.00 0.00 H new ATOM 1217 N LEU A 131 68.034 -8.628 6.292 1.00 0.00 N ATOM 1218 CA LEU A 131 68.606 -8.263 7.625 1.00 0.00 C ATOM 1219 C LEU A 131 69.418 -9.432 8.193 1.00 0.00 C ATOM 1220 O LEU A 131 70.001 -9.264 9.251 1.00 0.00 O ATOM 1221 CB LEU A 131 67.396 -7.955 8.519 1.00 0.00 C ATOM 1222 CG LEU A 131 66.482 -9.184 8.610 1.00 0.00 C ATOM 1223 CD1 LEU A 131 66.812 -9.973 9.878 1.00 0.00 C ATOM 1224 CD2 LEU A 131 65.021 -8.730 8.660 1.00 0.00 C ATOM 0 H LEU A 131 67.015 -8.649 6.250 1.00 0.00 H new ATOM 0 HA LEU A 131 69.283 -7.411 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 131 67.733 -7.668 9.515 1.00 0.00 H new ATOM 0 HB3 LEU A 131 66.841 -7.108 8.115 1.00 0.00 H new ATOM 0 HG LEU A 131 66.638 -9.817 7.737 1.00 0.00 H new ATOM 0 HD11 LEU A 131 66.163 -10.846 9.943 1.00 0.00 H new ATOM 0 HD12 LEU A 131 67.852 -10.296 9.845 1.00 0.00 H new ATOM 0 HD13 LEU A 131 66.656 -9.340 10.751 1.00 0.00 H new ATOM 0 HD21 LEU A 131 64.371 -9.603 8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 131 64.866 -8.097 9.534 1.00 0.00 H new ATOM 0 HD23 LEU A 131 64.784 -8.167 7.757 1.00 0.00 H new TER 1236 LEU A 131 END