USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 469 hydrogens (0 hets) HEADER TRANSFERASE 09-MAR-98 5HCK TITLE HUMAN HCK SH3 DOMAIN, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HEMATOPOIETIC CELL KINASE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SH3 DOMAIN; COMPND 5 SYNONYM: HCK; COMPND 6 EC: 2.7.10.2; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 CELL_LINE: BL21; SOURCE 6 GENE: RESIDUES G72-E143 OF HUMAN HCK; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 8 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3) PLYSS; SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PET-14B; SOURCE 1 EXPRESSION_SYSTEM_GENE: RESIDUES G72-E143 OF HUMAN HCK KEYWDS SH3, PROTEIN TYROSINE KINASE, SIGNAL TRANSDUCTION, TRANSFERASE EXPDTA SOLUTION NMR AUTHOR D.A.HORITA,D.M.BALDISSERI,W.ZHANG,A.S.ALTIERI,T.E.SMITHGALL, AUTHOR 2 W.H.GMEINER,R.A.BYRD REVDAT 3 09-MAY-12 5HCK 1 COMPND VERSN REVDAT 2 24-FEB-09 5HCK 1 VERSN REVDAT 1 17-JUN-98 5HCK 0 JRNL AUTH D.A.HORITA,D.M.BALDISSERI,W.ZHANG,A.S.ALTIERI,T.E.SMITHGALL, JRNL AUTH 2 W.H.GMEINER,R.A.BYRD JRNL TITL SOLUTION STRUCTURE OF THE HUMAN HCK SH3 DOMAIN AND JRNL TITL 2 IDENTIFICATION OF ITS LIGAND BINDING SITE. JRNL REF J.MOL.BIOL. V. 278 253 1998 JRNL REFN ISSN 0022-2836 JRNL PMID 9571048 JRNL DOI 10.1006/JMBI.1998.1690 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: PRESENTED ENSEMBLE WAS CALCULATED USING REMARK 3 NOE/DIHEDRAL AND 1H AND 13C CHEMICAL SHIFT RESTRAINTS. REMARK 4 REMARK 4 5HCK COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 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) : 298 REMARK 210 PH : 6.25 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : SEE JRNL ARTICLE REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY PLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DG, SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED AVERAGE STRUCTURE 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 GLY A 72 REMARK 465 ILE A 73 REMARK 465 ARG A 74 REMARK 465 GLU A 75 REMARK 465 ALA A 76 REMARK 465 GLY A 77 REMARK 465 LEU A 139 REMARK 465 GLU A 140 REMARK 465 THR A 141 REMARK 465 GLU A 142 REMARK 465 GLU A 143 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 ILE A 92 -57.16 -140.82 REMARK 500 HIS A 93 -167.58 -79.11 REMARK 500 HIS A 94 -77.09 -66.55 REMARK 500 SER A 111 -73.42 -110.00 REMARK 500 THR A 122 12.99 -140.49 REMARK 500 ASP A 137 68.49 -113.64 REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 4HCK RELATED DB: PDB DBREF 5HCK A 72 143 UNP P08631 HCK_HUMAN 72 143 SEQRES 1 A 72 GLY ILE ARG GLU ALA GLY SER GLU ASP ILE ILE VAL VAL SEQRES 2 A 72 ALA LEU TYR ASP TYR GLU ALA ILE HIS HIS GLU ASP LEU SEQRES 3 A 72 SER PHE GLN LYS GLY ASP GLN MET VAL VAL LEU GLU GLU SEQRES 4 A 72 SER GLY GLU TRP TRP LYS ALA ARG SER LEU ALA THR ARG SEQRES 5 A 72 LYS GLU GLY TYR ILE PRO SER ASN TYR VAL ALA ARG VAL SEQRES 6 A 72 ASP SER LEU GLU THR GLU GLU HELIX 1 1 SER A 130 TYR A 132 5 3 SHEET 1 A 3 ASP A 103 GLU A 109 0 SHEET 2 A 3 ILE A 82 ALA A 85 -1 N VAL A 83 O MET A 105 SHEET 3 A 3 VAL A 133 VAL A 136 -1 N VAL A 136 O ILE A 82 SHEET 1 B 2 TRP A 114 SER A 119 0 SHEET 2 B 2 LYS A 124 PRO A 129 -1 N ILE A 128 O TRP A 115 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 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HD1:sc= -0.481 X(o=-0.48,f=-0.078) USER MOD Single : A 94 HIS : no HD1:sc= 0 X(o=0,f=-0.082) USER MOD Single : A 98 SER OG : rot -165:sc= 0.454 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.309 X(o=-0.31,f=-0.086) USER MOD Single : A 105 MET CE :methyl -152:sc= -0.894 (180deg=-3.66!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 175:sc= -0.0185 (180deg=-0.0345) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot -140:sc= 1.14 USER MOD Single : A 131 ASN : amide:sc= -2.62 K(o=-2.6,f=-12!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 78 16.264 3.451 4.949 1.00 4.41 N ATOM 2 CA SER A 78 17.212 2.696 4.080 1.00 3.68 C ATOM 3 C SER A 78 16.458 2.040 2.919 1.00 2.68 C ATOM 4 O SER A 78 15.309 2.346 2.665 1.00 2.63 O ATOM 5 CB SER A 78 17.825 1.633 4.991 1.00 4.12 C ATOM 6 OG SER A 78 19.089 2.086 5.456 1.00 4.79 O ATOM 0 HA SER A 78 17.972 3.342 3.640 1.00 3.68 H new ATOM 0 HB2 SER A 78 17.164 1.435 5.835 1.00 4.12 H new ATOM 0 HB3 SER A 78 17.939 0.694 4.449 1.00 4.12 H new ATOM 0 HG SER A 78 19.484 1.407 6.042 1.00 4.79 H new ATOM 11 N GLU A 79 17.100 1.140 2.218 1.00 2.43 N ATOM 12 CA GLU A 79 16.425 0.458 1.070 1.00 1.75 C ATOM 13 C GLU A 79 15.355 -0.507 1.585 1.00 1.37 C ATOM 14 O GLU A 79 15.657 -1.485 2.242 1.00 1.67 O ATOM 15 CB GLU A 79 17.536 -0.309 0.348 1.00 2.51 C ATOM 16 CG GLU A 79 18.553 0.682 -0.221 1.00 3.21 C ATOM 17 CD GLU A 79 18.166 1.044 -1.656 1.00 3.62 C ATOM 18 OE1 GLU A 79 17.726 0.159 -2.371 1.00 3.83 O ATOM 19 OE2 GLU A 79 18.316 2.200 -2.015 1.00 4.20 O ATOM 0 H GLU A 79 18.062 0.848 2.390 1.00 2.43 H new ATOM 0 HA GLU A 79 15.925 1.165 0.408 1.00 1.75 H new ATOM 0 HB2 GLU A 79 18.027 -0.995 1.039 1.00 2.51 H new ATOM 0 HB3 GLU A 79 17.113 -0.914 -0.454 1.00 2.51 H new ATOM 0 HG2 GLU A 79 18.585 1.580 0.396 1.00 3.21 H new ATOM 0 HG3 GLU A 79 19.552 0.246 -0.202 1.00 3.21 H new ATOM 26 N ASP A 80 14.107 -0.238 1.290 1.00 0.82 N ATOM 27 CA ASP A 80 13.012 -1.140 1.761 1.00 0.58 C ATOM 28 C ASP A 80 11.918 -1.224 0.696 1.00 0.44 C ATOM 29 O ASP A 80 12.138 -0.889 -0.453 1.00 0.56 O ATOM 30 CB ASP A 80 12.476 -0.484 3.036 1.00 0.69 C ATOM 31 CG ASP A 80 13.592 -0.402 4.080 1.00 1.05 C ATOM 32 OD1 ASP A 80 14.096 -1.445 4.462 1.00 1.71 O ATOM 33 OD2 ASP A 80 13.922 0.702 4.479 1.00 1.46 O ATOM 0 H ASP A 80 13.800 0.567 0.744 1.00 0.82 H new ATOM 0 HA ASP A 80 13.359 -2.157 1.947 1.00 0.58 H new ATOM 0 HB2 ASP A 80 12.099 0.514 2.813 1.00 0.69 H new ATOM 0 HB3 ASP A 80 11.638 -1.060 3.429 1.00 0.69 H new ATOM 38 N ILE A 81 10.739 -1.658 1.068 1.00 0.44 N ATOM 39 CA ILE A 81 9.633 -1.750 0.073 1.00 0.49 C ATOM 40 C ILE A 81 8.439 -0.900 0.517 1.00 0.45 C ATOM 41 O ILE A 81 7.336 -1.388 0.628 1.00 0.64 O ATOM 42 CB ILE A 81 9.259 -3.233 -0.012 1.00 0.72 C ATOM 43 CG1 ILE A 81 8.764 -3.750 1.366 1.00 0.57 C ATOM 44 CG2 ILE A 81 10.464 -4.038 -0.529 1.00 1.58 C ATOM 45 CD1 ILE A 81 9.906 -4.308 2.237 1.00 1.64 C ATOM 0 H ILE A 81 10.498 -1.951 2.015 1.00 0.44 H new ATOM 0 HA ILE A 81 9.938 -1.370 -0.902 1.00 0.49 H new ATOM 0 HB ILE A 81 8.437 -3.363 -0.716 1.00 0.72 H new ATOM 0 HG12 ILE A 81 8.270 -2.937 1.898 1.00 0.57 H new ATOM 0 HG13 ILE A 81 8.017 -4.529 1.210 1.00 0.57 H new ATOM 0 HG21 ILE A 81 10.198 -5.093 -0.589 1.00 1.58 H new ATOM 0 HG22 ILE A 81 10.745 -3.677 -1.519 1.00 1.58 H new ATOM 0 HG23 ILE A 81 11.304 -3.914 0.154 1.00 1.58 H new ATOM 0 HD11 ILE A 81 9.502 -4.655 3.188 1.00 1.64 H new ATOM 0 HD12 ILE A 81 10.384 -5.140 1.721 1.00 1.64 H new ATOM 0 HD13 ILE A 81 10.641 -3.524 2.419 1.00 1.64 H new ATOM 57 N ILE A 82 8.640 0.375 0.762 1.00 0.28 N ATOM 58 CA ILE A 82 7.489 1.232 1.190 1.00 0.28 C ATOM 59 C ILE A 82 6.949 2.014 0.002 1.00 0.31 C ATOM 60 O ILE A 82 7.693 2.556 -0.785 1.00 0.45 O ATOM 61 CB ILE A 82 8.026 2.186 2.261 1.00 0.25 C ATOM 62 CG1 ILE A 82 8.649 1.384 3.405 1.00 0.30 C ATOM 63 CG2 ILE A 82 6.875 3.039 2.810 1.00 0.24 C ATOM 64 CD1 ILE A 82 9.335 2.338 4.384 1.00 0.65 C ATOM 0 H ILE A 82 9.538 0.853 0.685 1.00 0.28 H new ATOM 0 HA ILE A 82 6.671 0.628 1.583 1.00 0.28 H new ATOM 0 HB ILE A 82 8.784 2.832 1.817 1.00 0.25 H new ATOM 0 HG12 ILE A 82 7.880 0.808 3.920 1.00 0.30 H new ATOM 0 HG13 ILE A 82 9.372 0.669 3.011 1.00 0.30 H new ATOM 0 HG21 ILE A 82 7.257 3.718 3.572 1.00 0.24 H new ATOM 0 HG22 ILE A 82 6.431 3.616 1.999 1.00 0.24 H new ATOM 0 HG23 ILE A 82 6.118 2.389 3.249 1.00 0.24 H new ATOM 0 HD11 ILE A 82 9.779 1.766 5.199 1.00 0.65 H new ATOM 0 HD12 ILE A 82 10.115 2.894 3.864 1.00 0.65 H new ATOM 0 HD13 ILE A 82 8.601 3.035 4.788 1.00 0.65 H new ATOM 76 N VAL A 83 5.654 2.068 -0.126 1.00 0.26 N ATOM 77 CA VAL A 83 5.036 2.811 -1.257 1.00 0.27 C ATOM 78 C VAL A 83 4.163 3.949 -0.719 1.00 0.26 C ATOM 79 O VAL A 83 3.874 4.016 0.463 1.00 0.27 O ATOM 80 CB VAL A 83 4.178 1.775 -1.998 1.00 0.31 C ATOM 81 CG1 VAL A 83 5.072 0.660 -2.551 1.00 0.27 C ATOM 82 CG2 VAL A 83 3.140 1.171 -1.040 1.00 0.38 C ATOM 0 H VAL A 83 4.991 1.625 0.511 1.00 0.26 H new ATOM 0 HA VAL A 83 5.781 3.261 -1.914 1.00 0.27 H new ATOM 0 HB VAL A 83 3.662 2.268 -2.822 1.00 0.31 H new ATOM 0 HG11 VAL A 83 4.458 -0.072 -3.076 1.00 0.27 H new ATOM 0 HG12 VAL A 83 5.799 1.086 -3.242 1.00 0.27 H new ATOM 0 HG13 VAL A 83 5.596 0.172 -1.729 1.00 0.27 H new ATOM 0 HG21 VAL A 83 2.536 0.437 -1.574 1.00 0.38 H new ATOM 0 HG22 VAL A 83 3.651 0.685 -0.209 1.00 0.38 H new ATOM 0 HG23 VAL A 83 2.495 1.962 -0.656 1.00 0.38 H new ATOM 92 N VAL A 84 3.730 4.832 -1.579 1.00 0.26 N ATOM 93 CA VAL A 84 2.861 5.953 -1.128 1.00 0.26 C ATOM 94 C VAL A 84 1.586 5.969 -1.977 1.00 0.24 C ATOM 95 O VAL A 84 1.641 6.047 -3.192 1.00 0.27 O ATOM 96 CB VAL A 84 3.702 7.238 -1.303 1.00 0.29 C ATOM 97 CG1 VAL A 84 3.809 7.640 -2.780 1.00 0.32 C ATOM 98 CG2 VAL A 84 3.044 8.382 -0.533 1.00 0.30 C ATOM 0 H VAL A 84 3.942 4.824 -2.577 1.00 0.26 H new ATOM 0 HA VAL A 84 2.545 5.858 -0.089 1.00 0.26 H new ATOM 0 HB VAL A 84 4.703 7.040 -0.921 1.00 0.29 H new ATOM 0 HG11 VAL A 84 4.407 8.547 -2.868 1.00 0.32 H new ATOM 0 HG12 VAL A 84 4.285 6.836 -3.342 1.00 0.32 H new ATOM 0 HG13 VAL A 84 2.812 7.822 -3.181 1.00 0.32 H new ATOM 0 HG21 VAL A 84 3.635 9.290 -0.655 1.00 0.30 H new ATOM 0 HG22 VAL A 84 2.038 8.549 -0.919 1.00 0.30 H new ATOM 0 HG23 VAL A 84 2.988 8.124 0.525 1.00 0.30 H new ATOM 108 N ALA A 85 0.442 5.884 -1.352 1.00 0.21 N ATOM 109 CA ALA A 85 -0.830 5.898 -2.128 1.00 0.21 C ATOM 110 C ALA A 85 -0.959 7.233 -2.847 1.00 0.24 C ATOM 111 O ALA A 85 -1.046 8.274 -2.216 1.00 0.27 O ATOM 112 CB ALA A 85 -1.940 5.743 -1.096 1.00 0.19 C ATOM 0 H ALA A 85 0.334 5.806 -0.341 1.00 0.21 H new ATOM 0 HA ALA A 85 -0.872 5.107 -2.877 1.00 0.21 H new ATOM 0 HB1 ALA A 85 -2.907 5.745 -1.599 1.00 0.19 H new ATOM 0 HB2 ALA A 85 -1.811 4.802 -0.561 1.00 0.19 H new ATOM 0 HB3 ALA A 85 -1.897 6.571 -0.388 1.00 0.19 H new ATOM 118 N LEU A 86 -0.962 7.206 -4.159 1.00 0.28 N ATOM 119 CA LEU A 86 -1.064 8.470 -4.946 1.00 0.31 C ATOM 120 C LEU A 86 -2.519 8.773 -5.320 1.00 0.31 C ATOM 121 O LEU A 86 -2.786 9.706 -6.052 1.00 0.38 O ATOM 122 CB LEU A 86 -0.248 8.211 -6.212 1.00 0.37 C ATOM 123 CG LEU A 86 1.242 8.195 -5.868 1.00 0.42 C ATOM 124 CD1 LEU A 86 2.048 7.790 -7.104 1.00 0.45 C ATOM 125 CD2 LEU A 86 1.675 9.591 -5.415 1.00 0.57 C ATOM 0 H LEU A 86 -0.898 6.356 -4.719 1.00 0.28 H new ATOM 0 HA LEU A 86 -0.701 9.326 -4.376 1.00 0.31 H new ATOM 0 HB2 LEU A 86 -0.539 7.259 -6.656 1.00 0.37 H new ATOM 0 HB3 LEU A 86 -0.452 8.984 -6.953 1.00 0.37 H new ATOM 0 HG LEU A 86 1.421 7.479 -5.066 1.00 0.42 H new ATOM 0 HD11 LEU A 86 3.110 7.779 -6.858 1.00 0.45 H new ATOM 0 HD12 LEU A 86 1.740 6.796 -7.429 1.00 0.45 H new ATOM 0 HD13 LEU A 86 1.869 8.506 -7.906 1.00 0.45 H new ATOM 0 HD21 LEU A 86 2.737 9.581 -5.170 1.00 0.57 H new ATOM 0 HD22 LEU A 86 1.495 10.306 -6.218 1.00 0.57 H new ATOM 0 HD23 LEU A 86 1.102 9.882 -4.535 1.00 0.57 H new ATOM 137 N TYR A 87 -3.463 8.004 -4.825 1.00 0.28 N ATOM 138 CA TYR A 87 -4.904 8.268 -5.144 1.00 0.30 C ATOM 139 C TYR A 87 -5.770 7.736 -4.000 1.00 0.25 C ATOM 140 O TYR A 87 -5.399 6.800 -3.316 1.00 0.23 O ATOM 141 CB TYR A 87 -5.220 7.513 -6.444 1.00 0.37 C ATOM 142 CG TYR A 87 -4.245 7.898 -7.530 1.00 0.48 C ATOM 143 CD1 TYR A 87 -4.424 9.086 -8.248 1.00 0.58 C ATOM 144 CD2 TYR A 87 -3.154 7.067 -7.808 1.00 0.51 C ATOM 145 CE1 TYR A 87 -3.510 9.442 -9.247 1.00 0.69 C ATOM 146 CE2 TYR A 87 -2.241 7.421 -8.807 1.00 0.62 C ATOM 147 CZ TYR A 87 -2.419 8.609 -9.528 1.00 0.70 C ATOM 148 OH TYR A 87 -1.518 8.960 -10.513 1.00 0.82 O ATOM 0 H TYR A 87 -3.297 7.205 -4.214 1.00 0.28 H new ATOM 0 HA TYR A 87 -5.103 9.333 -5.264 1.00 0.30 H new ATOM 0 HB2 TYR A 87 -5.172 6.438 -6.268 1.00 0.37 H new ATOM 0 HB3 TYR A 87 -6.237 7.738 -6.764 1.00 0.37 H new ATOM 0 HD1 TYR A 87 -5.266 9.727 -8.032 1.00 0.58 H new ATOM 0 HD2 TYR A 87 -3.017 6.152 -7.251 1.00 0.51 H new ATOM 0 HE1 TYR A 87 -3.646 10.359 -9.801 1.00 0.69 H new ATOM 0 HE2 TYR A 87 -1.400 6.779 -9.022 1.00 0.62 H new ATOM 0 HH TYR A 87 -0.821 8.274 -10.579 1.00 0.82 H new ATOM 158 N ASP A 88 -6.907 8.337 -3.779 1.00 0.27 N ATOM 159 CA ASP A 88 -7.793 7.881 -2.666 1.00 0.26 C ATOM 160 C ASP A 88 -8.432 6.529 -3.011 1.00 0.25 C ATOM 161 O ASP A 88 -8.808 6.284 -4.141 1.00 0.26 O ATOM 162 CB ASP A 88 -8.864 8.964 -2.527 1.00 0.30 C ATOM 163 CG ASP A 88 -8.276 10.171 -1.791 1.00 0.33 C ATOM 164 OD1 ASP A 88 -7.554 9.960 -0.832 1.00 1.12 O ATOM 165 OD2 ASP A 88 -8.558 11.285 -2.201 1.00 1.14 O ATOM 0 H ASP A 88 -7.263 9.125 -4.321 1.00 0.27 H new ATOM 0 HA ASP A 88 -7.240 7.741 -1.737 1.00 0.26 H new ATOM 0 HB2 ASP A 88 -9.223 9.264 -3.511 1.00 0.30 H new ATOM 0 HB3 ASP A 88 -9.722 8.574 -1.980 1.00 0.30 H new ATOM 170 N TYR A 89 -8.555 5.653 -2.043 1.00 0.26 N ATOM 171 CA TYR A 89 -9.171 4.312 -2.307 1.00 0.27 C ATOM 172 C TYR A 89 -9.764 3.741 -1.012 1.00 0.32 C ATOM 173 O TYR A 89 -9.452 4.198 0.070 1.00 0.53 O ATOM 174 CB TYR A 89 -8.013 3.443 -2.807 1.00 0.26 C ATOM 175 CG TYR A 89 -8.561 2.220 -3.502 1.00 0.29 C ATOM 176 CD1 TYR A 89 -9.111 2.333 -4.786 1.00 0.36 C ATOM 177 CD2 TYR A 89 -8.526 0.975 -2.861 1.00 0.33 C ATOM 178 CE1 TYR A 89 -9.627 1.199 -5.428 1.00 0.42 C ATOM 179 CE2 TYR A 89 -9.041 -0.158 -3.503 1.00 0.39 C ATOM 180 CZ TYR A 89 -9.593 -0.046 -4.786 1.00 0.42 C ATOM 181 OH TYR A 89 -10.103 -1.162 -5.418 1.00 0.51 O ATOM 0 H TYR A 89 -8.255 5.808 -1.080 1.00 0.26 H new ATOM 0 HA TYR A 89 -9.985 4.359 -3.030 1.00 0.27 H new ATOM 0 HB2 TYR A 89 -7.387 4.013 -3.493 1.00 0.26 H new ATOM 0 HB3 TYR A 89 -7.381 3.146 -1.970 1.00 0.26 H new ATOM 0 HD1 TYR A 89 -9.137 3.293 -5.280 1.00 0.36 H new ATOM 0 HD2 TYR A 89 -8.102 0.889 -1.872 1.00 0.33 H new ATOM 0 HE1 TYR A 89 -10.051 1.285 -6.418 1.00 0.42 H new ATOM 0 HE2 TYR A 89 -9.013 -1.118 -3.009 1.00 0.39 H new ATOM 0 HH TYR A 89 -10.000 -1.943 -4.836 1.00 0.51 H new ATOM 191 N GLU A 90 -10.624 2.752 -1.116 1.00 0.32 N ATOM 192 CA GLU A 90 -11.246 2.160 0.114 1.00 0.35 C ATOM 193 C GLU A 90 -11.179 0.627 0.081 1.00 0.37 C ATOM 194 O GLU A 90 -11.231 0.014 -0.967 1.00 0.57 O ATOM 195 CB GLU A 90 -12.701 2.629 0.086 1.00 0.50 C ATOM 196 CG GLU A 90 -13.219 2.778 1.518 1.00 1.34 C ATOM 197 CD GLU A 90 -12.997 4.214 1.995 1.00 2.04 C ATOM 198 OE1 GLU A 90 -13.373 5.122 1.272 1.00 2.51 O ATOM 199 OE2 GLU A 90 -12.456 4.382 3.076 1.00 2.77 O ATOM 0 H GLU A 90 -10.921 2.331 -1.996 1.00 0.32 H new ATOM 0 HA GLU A 90 -10.726 2.473 1.020 1.00 0.35 H new ATOM 0 HB2 GLU A 90 -12.777 3.581 -0.440 1.00 0.50 H new ATOM 0 HB3 GLU A 90 -13.314 1.913 -0.461 1.00 0.50 H new ATOM 0 HG2 GLU A 90 -14.280 2.530 1.560 1.00 1.34 H new ATOM 0 HG3 GLU A 90 -12.702 2.081 2.177 1.00 1.34 H new ATOM 206 N ALA A 91 -11.067 0.012 1.233 1.00 0.39 N ATOM 207 CA ALA A 91 -10.994 -1.486 1.301 1.00 0.44 C ATOM 208 C ALA A 91 -12.214 -2.127 0.624 1.00 0.47 C ATOM 209 O ALA A 91 -13.282 -1.551 0.581 1.00 0.68 O ATOM 210 CB ALA A 91 -10.981 -1.819 2.799 1.00 0.68 C ATOM 0 H ALA A 91 -11.023 0.484 2.136 1.00 0.39 H new ATOM 0 HA ALA A 91 -10.114 -1.869 0.784 1.00 0.44 H new ATOM 0 HB1 ALA A 91 -10.929 -2.900 2.931 1.00 0.68 H new ATOM 0 HB2 ALA A 91 -10.114 -1.354 3.268 1.00 0.68 H new ATOM 0 HB3 ALA A 91 -11.891 -1.440 3.264 1.00 0.68 H new ATOM 216 N ILE A 92 -12.054 -3.320 0.099 1.00 0.66 N ATOM 217 CA ILE A 92 -13.194 -4.023 -0.574 1.00 0.93 C ATOM 218 C ILE A 92 -13.161 -5.528 -0.235 1.00 1.43 C ATOM 219 O ILE A 92 -14.119 -6.075 0.277 1.00 2.29 O ATOM 220 CB ILE A 92 -12.970 -3.802 -2.080 1.00 1.10 C ATOM 221 CG1 ILE A 92 -13.038 -2.299 -2.413 1.00 1.57 C ATOM 222 CG2 ILE A 92 -14.036 -4.556 -2.888 1.00 2.16 C ATOM 223 CD1 ILE A 92 -14.440 -1.741 -2.125 1.00 1.89 C ATOM 0 H ILE A 92 -11.177 -3.840 0.108 1.00 0.66 H new ATOM 0 HA ILE A 92 -14.163 -3.644 -0.250 1.00 0.93 H new ATOM 0 HB ILE A 92 -11.983 -4.182 -2.344 1.00 1.10 H new ATOM 0 HG12 ILE A 92 -12.298 -1.757 -1.824 1.00 1.57 H new ATOM 0 HG13 ILE A 92 -12.787 -2.142 -3.462 1.00 1.57 H new ATOM 0 HG21 ILE A 92 -13.868 -4.393 -3.953 1.00 2.16 H new ATOM 0 HG22 ILE A 92 -13.972 -5.622 -2.670 1.00 2.16 H new ATOM 0 HG23 ILE A 92 -15.026 -4.189 -2.616 1.00 2.16 H new ATOM 0 HD11 ILE A 92 -14.466 -0.679 -2.367 1.00 1.89 H new ATOM 0 HD12 ILE A 92 -15.174 -2.270 -2.733 1.00 1.89 H new ATOM 0 HD13 ILE A 92 -14.677 -1.878 -1.070 1.00 1.89 H new ATOM 235 N HIS A 93 -12.071 -6.198 -0.530 1.00 1.15 N ATOM 236 CA HIS A 93 -11.979 -7.675 -0.252 1.00 1.61 C ATOM 237 C HIS A 93 -11.682 -7.950 1.231 1.00 1.11 C ATOM 238 O HIS A 93 -11.776 -7.074 2.068 1.00 1.37 O ATOM 239 CB HIS A 93 -10.819 -8.166 -1.124 1.00 2.38 C ATOM 240 CG HIS A 93 -11.145 -9.527 -1.676 1.00 3.09 C ATOM 241 ND1 HIS A 93 -12.093 -9.714 -2.670 1.00 3.72 N ATOM 242 CD2 HIS A 93 -10.668 -10.779 -1.374 1.00 3.70 C ATOM 243 CE1 HIS A 93 -12.157 -11.034 -2.927 1.00 4.35 C ATOM 244 NE2 HIS A 93 -11.309 -11.728 -2.164 1.00 4.35 N ATOM 0 H HIS A 93 -11.238 -5.788 -0.952 1.00 1.15 H new ATOM 0 HA HIS A 93 -12.917 -8.183 -0.475 1.00 1.61 H new ATOM 0 HB2 HIS A 93 -10.641 -7.465 -1.939 1.00 2.38 H new ATOM 0 HB3 HIS A 93 -9.902 -8.211 -0.536 1.00 2.38 H new ATOM 0 HD2 HIS A 93 -9.910 -10.994 -0.635 1.00 3.70 H new ATOM 0 HE1 HIS A 93 -12.814 -11.477 -3.661 1.00 4.35 H new ATOM 0 HE2 HIS A 93 -11.163 -12.737 -2.161 1.00 4.35 H new ATOM 252 N HIS A 94 -11.331 -9.174 1.556 1.00 0.99 N ATOM 253 CA HIS A 94 -11.034 -9.532 2.983 1.00 0.76 C ATOM 254 C HIS A 94 -9.772 -8.809 3.469 1.00 0.61 C ATOM 255 O HIS A 94 -9.853 -7.828 4.185 1.00 0.91 O ATOM 256 CB HIS A 94 -10.820 -11.048 2.982 1.00 1.28 C ATOM 257 CG HIS A 94 -12.136 -11.738 3.219 1.00 1.60 C ATOM 258 ND1 HIS A 94 -13.246 -11.503 2.423 1.00 2.18 N ATOM 259 CD2 HIS A 94 -12.537 -12.653 4.161 1.00 2.24 C ATOM 260 CE1 HIS A 94 -14.252 -12.260 2.897 1.00 2.61 C ATOM 261 NE2 HIS A 94 -13.874 -12.981 3.956 1.00 2.64 N ATOM 0 H HIS A 94 -11.237 -9.943 0.892 1.00 0.99 H new ATOM 0 HA HIS A 94 -11.841 -9.236 3.653 1.00 0.76 H new ATOM 0 HB2 HIS A 94 -10.396 -11.366 2.029 1.00 1.28 H new ATOM 0 HB3 HIS A 94 -10.106 -11.326 3.757 1.00 1.28 H new ATOM 0 HD2 HIS A 94 -11.910 -13.057 4.942 1.00 2.24 H new ATOM 0 HE1 HIS A 94 -15.245 -12.282 2.473 1.00 2.61 H new ATOM 0 HE2 HIS A 94 -14.443 -13.632 4.498 1.00 2.64 H new ATOM 269 N GLU A 95 -8.606 -9.276 3.082 1.00 0.66 N ATOM 270 CA GLU A 95 -7.339 -8.602 3.516 1.00 0.49 C ATOM 271 C GLU A 95 -7.104 -7.353 2.660 1.00 0.54 C ATOM 272 O GLU A 95 -6.089 -7.220 2.008 1.00 1.07 O ATOM 273 CB GLU A 95 -6.232 -9.638 3.277 1.00 0.45 C ATOM 274 CG GLU A 95 -5.096 -9.447 4.294 1.00 0.47 C ATOM 275 CD GLU A 95 -5.623 -9.704 5.708 1.00 0.98 C ATOM 276 OE1 GLU A 95 -5.562 -10.842 6.143 1.00 1.75 O ATOM 277 OE2 GLU A 95 -6.077 -8.759 6.332 1.00 1.52 O ATOM 0 H GLU A 95 -8.478 -10.093 2.485 1.00 0.66 H new ATOM 0 HA GLU A 95 -7.370 -8.281 4.557 1.00 0.49 H new ATOM 0 HB2 GLU A 95 -6.641 -10.645 3.363 1.00 0.45 H new ATOM 0 HB3 GLU A 95 -5.843 -9.538 2.264 1.00 0.45 H new ATOM 0 HG2 GLU A 95 -4.276 -10.130 4.071 1.00 0.47 H new ATOM 0 HG3 GLU A 95 -4.697 -8.435 4.222 1.00 0.47 H new ATOM 284 N ASP A 96 -8.045 -6.443 2.659 1.00 0.41 N ATOM 285 CA ASP A 96 -7.905 -5.199 1.843 1.00 0.39 C ATOM 286 C ASP A 96 -7.389 -4.047 2.711 1.00 0.41 C ATOM 287 O ASP A 96 -7.195 -4.203 3.903 1.00 0.78 O ATOM 288 CB ASP A 96 -9.320 -4.904 1.332 1.00 0.52 C ATOM 289 CG ASP A 96 -10.302 -4.729 2.504 1.00 0.70 C ATOM 290 OD1 ASP A 96 -9.858 -4.711 3.643 1.00 1.42 O ATOM 291 OD2 ASP A 96 -11.487 -4.627 2.241 1.00 1.26 O ATOM 0 H ASP A 96 -8.911 -6.509 3.193 1.00 0.41 H new ATOM 0 HA ASP A 96 -7.193 -5.316 1.026 1.00 0.39 H new ATOM 0 HB2 ASP A 96 -9.310 -4.000 0.723 1.00 0.52 H new ATOM 0 HB3 ASP A 96 -9.656 -5.718 0.689 1.00 0.52 H new ATOM 296 N LEU A 97 -7.158 -2.899 2.125 1.00 0.35 N ATOM 297 CA LEU A 97 -6.647 -1.742 2.919 1.00 0.39 C ATOM 298 C LEU A 97 -7.067 -0.417 2.273 1.00 0.33 C ATOM 299 O LEU A 97 -6.878 -0.206 1.089 1.00 0.35 O ATOM 300 CB LEU A 97 -5.126 -1.894 2.896 1.00 0.54 C ATOM 301 CG LEU A 97 -4.486 -0.803 3.757 1.00 0.66 C ATOM 302 CD1 LEU A 97 -4.726 -1.110 5.238 1.00 1.06 C ATOM 303 CD2 LEU A 97 -2.979 -0.753 3.482 1.00 1.19 C ATOM 0 H LEU A 97 -7.301 -2.714 1.132 1.00 0.35 H new ATOM 0 HA LEU A 97 -7.044 -1.732 3.934 1.00 0.39 H new ATOM 0 HB2 LEU A 97 -4.843 -2.878 3.270 1.00 0.54 H new ATOM 0 HB3 LEU A 97 -4.759 -1.825 1.872 1.00 0.54 H new ATOM 0 HG LEU A 97 -4.933 0.160 3.511 1.00 0.66 H new ATOM 0 HD11 LEU A 97 -4.269 -0.332 5.850 1.00 1.06 H new ATOM 0 HD12 LEU A 97 -5.798 -1.143 5.434 1.00 1.06 H new ATOM 0 HD13 LEU A 97 -4.282 -2.074 5.486 1.00 1.06 H new ATOM 0 HD21 LEU A 97 -2.523 0.024 4.095 1.00 1.19 H new ATOM 0 HD22 LEU A 97 -2.532 -1.717 3.726 1.00 1.19 H new ATOM 0 HD23 LEU A 97 -2.809 -0.531 2.429 1.00 1.19 H new ATOM 315 N SER A 98 -7.634 0.476 3.047 1.00 0.33 N ATOM 316 CA SER A 98 -8.064 1.792 2.491 1.00 0.34 C ATOM 317 C SER A 98 -6.976 2.842 2.707 1.00 0.36 C ATOM 318 O SER A 98 -6.462 3.000 3.798 1.00 0.73 O ATOM 319 CB SER A 98 -9.320 2.171 3.272 1.00 0.41 C ATOM 320 OG SER A 98 -10.130 1.019 3.454 1.00 0.46 O ATOM 0 H SER A 98 -7.817 0.348 4.042 1.00 0.33 H new ATOM 0 HA SER A 98 -8.250 1.736 1.418 1.00 0.34 H new ATOM 0 HB2 SER A 98 -9.046 2.593 4.239 1.00 0.41 H new ATOM 0 HB3 SER A 98 -9.877 2.939 2.735 1.00 0.41 H new ATOM 0 HG SER A 98 -11.028 1.292 3.736 1.00 0.46 H new ATOM 326 N PHE A 99 -6.631 3.567 1.674 1.00 0.27 N ATOM 327 CA PHE A 99 -5.582 4.627 1.811 1.00 0.26 C ATOM 328 C PHE A 99 -6.055 5.928 1.159 1.00 0.25 C ATOM 329 O PHE A 99 -7.181 6.034 0.709 1.00 0.27 O ATOM 330 CB PHE A 99 -4.316 4.094 1.117 1.00 0.26 C ATOM 331 CG PHE A 99 -4.625 3.528 -0.257 1.00 0.25 C ATOM 332 CD1 PHE A 99 -4.809 4.385 -1.348 1.00 0.22 C ATOM 333 CD2 PHE A 99 -4.696 2.141 -0.439 1.00 0.28 C ATOM 334 CE1 PHE A 99 -5.065 3.856 -2.621 1.00 0.23 C ATOM 335 CE2 PHE A 99 -4.958 1.613 -1.710 1.00 0.29 C ATOM 336 CZ PHE A 99 -5.141 2.472 -2.800 1.00 0.27 C ATOM 0 H PHE A 99 -7.030 3.472 0.740 1.00 0.27 H new ATOM 0 HA PHE A 99 -5.380 4.848 2.859 1.00 0.26 H new ATOM 0 HB2 PHE A 99 -3.586 4.898 1.024 1.00 0.26 H new ATOM 0 HB3 PHE A 99 -3.860 3.320 1.735 1.00 0.26 H new ATOM 0 HD1 PHE A 99 -4.754 5.455 -1.209 1.00 0.22 H new ATOM 0 HD2 PHE A 99 -4.549 1.478 0.401 1.00 0.28 H new ATOM 0 HE1 PHE A 99 -5.203 4.518 -3.463 1.00 0.23 H new ATOM 0 HE2 PHE A 99 -5.019 0.544 -1.849 1.00 0.29 H new ATOM 0 HZ PHE A 99 -5.341 2.065 -3.780 1.00 0.27 H new ATOM 346 N GLN A 100 -5.209 6.925 1.134 1.00 0.25 N ATOM 347 CA GLN A 100 -5.602 8.235 0.540 1.00 0.26 C ATOM 348 C GLN A 100 -4.674 8.617 -0.617 1.00 0.26 C ATOM 349 O GLN A 100 -3.760 7.899 -0.972 1.00 0.26 O ATOM 350 CB GLN A 100 -5.488 9.246 1.688 1.00 0.30 C ATOM 351 CG GLN A 100 -6.799 10.023 1.818 1.00 0.43 C ATOM 352 CD GLN A 100 -6.981 10.485 3.266 1.00 0.50 C ATOM 353 OE1 GLN A 100 -6.042 10.926 3.897 1.00 1.17 O ATOM 354 NE2 GLN A 100 -8.159 10.402 3.820 1.00 1.29 N ATOM 0 H GLN A 100 -4.258 6.887 1.502 1.00 0.25 H new ATOM 0 HA GLN A 100 -6.608 8.203 0.123 1.00 0.26 H new ATOM 0 HB2 GLN A 100 -5.266 8.729 2.621 1.00 0.30 H new ATOM 0 HB3 GLN A 100 -4.663 9.933 1.500 1.00 0.30 H new ATOM 0 HG2 GLN A 100 -6.791 10.884 1.149 1.00 0.43 H new ATOM 0 HG3 GLN A 100 -7.637 9.394 1.518 1.00 0.43 H new ATOM 0 HE21 GLN A 100 -8.947 10.031 3.289 1.00 1.29 H new ATOM 0 HE22 GLN A 100 -8.292 10.708 4.784 1.00 1.29 H new ATOM 363 N LYS A 101 -4.952 9.732 -1.228 1.00 0.28 N ATOM 364 CA LYS A 101 -4.152 10.202 -2.403 1.00 0.29 C ATOM 365 C LYS A 101 -2.678 10.452 -2.100 1.00 0.29 C ATOM 366 O LYS A 101 -1.855 10.482 -2.994 1.00 0.46 O ATOM 367 CB LYS A 101 -4.818 11.490 -2.833 1.00 0.34 C ATOM 368 CG LYS A 101 -4.307 11.870 -4.210 1.00 0.39 C ATOM 369 CD LYS A 101 -5.420 12.576 -4.977 1.00 0.43 C ATOM 370 CE LYS A 101 -6.479 11.551 -5.397 1.00 0.42 C ATOM 371 NZ LYS A 101 -7.557 12.353 -6.039 1.00 0.51 N ATOM 0 H LYS A 101 -5.715 10.354 -0.961 1.00 0.28 H new ATOM 0 HA LYS A 101 -4.143 9.430 -3.172 1.00 0.29 H new ATOM 0 HB2 LYS A 101 -5.901 11.366 -2.853 1.00 0.34 H new ATOM 0 HB3 LYS A 101 -4.601 12.284 -2.118 1.00 0.34 H new ATOM 0 HG2 LYS A 101 -3.438 12.523 -4.122 1.00 0.39 H new ATOM 0 HG3 LYS A 101 -3.984 10.980 -4.750 1.00 0.39 H new ATOM 0 HD2 LYS A 101 -5.872 13.348 -4.355 1.00 0.43 H new ATOM 0 HD3 LYS A 101 -5.011 13.074 -5.856 1.00 0.43 H new ATOM 0 HE2 LYS A 101 -6.066 10.818 -6.090 1.00 0.42 H new ATOM 0 HE3 LYS A 101 -6.857 10.999 -4.537 1.00 0.42 H new ATOM 0 HZ1 LYS A 101 -8.320 11.720 -6.354 1.00 0.51 H new ATOM 0 HZ2 LYS A 101 -7.936 13.037 -5.354 1.00 0.51 H new ATOM 0 HZ3 LYS A 101 -7.169 12.862 -6.859 1.00 0.51 H new ATOM 385 N GLY A 102 -2.349 10.659 -0.874 1.00 0.27 N ATOM 386 CA GLY A 102 -0.925 10.933 -0.508 1.00 0.29 C ATOM 387 C GLY A 102 -0.582 10.193 0.779 1.00 0.27 C ATOM 388 O GLY A 102 0.084 10.720 1.650 1.00 0.30 O ATOM 0 H GLY A 102 -3.002 10.653 -0.090 1.00 0.27 H new ATOM 0 HA2 GLY A 102 -0.263 10.612 -1.312 1.00 0.29 H new ATOM 0 HA3 GLY A 102 -0.771 12.004 -0.377 1.00 0.29 H new ATOM 392 N ASP A 103 -1.040 8.977 0.904 1.00 0.24 N ATOM 393 CA ASP A 103 -0.745 8.191 2.156 1.00 0.23 C ATOM 394 C ASP A 103 0.536 7.363 2.012 1.00 0.22 C ATOM 395 O ASP A 103 1.082 7.230 0.939 1.00 0.23 O ATOM 396 CB ASP A 103 -1.951 7.281 2.371 1.00 0.22 C ATOM 397 CG ASP A 103 -2.982 8.002 3.243 1.00 0.25 C ATOM 398 OD1 ASP A 103 -3.126 9.203 3.086 1.00 1.08 O ATOM 399 OD2 ASP A 103 -3.609 7.340 4.054 1.00 1.06 O ATOM 0 H ASP A 103 -1.601 8.490 0.205 1.00 0.24 H new ATOM 0 HA ASP A 103 -0.583 8.857 3.004 1.00 0.23 H new ATOM 0 HB2 ASP A 103 -2.394 7.013 1.412 1.00 0.22 H new ATOM 0 HB3 ASP A 103 -1.639 6.352 2.849 1.00 0.22 H new ATOM 404 N GLN A 104 1.005 6.787 3.093 1.00 0.22 N ATOM 405 CA GLN A 104 2.234 5.950 3.034 1.00 0.23 C ATOM 406 C GLN A 104 1.944 4.545 3.563 1.00 0.22 C ATOM 407 O GLN A 104 1.348 4.373 4.609 1.00 0.29 O ATOM 408 CB GLN A 104 3.249 6.661 3.927 1.00 0.27 C ATOM 409 CG GLN A 104 4.057 7.655 3.091 1.00 0.29 C ATOM 410 CD GLN A 104 5.498 7.699 3.603 1.00 0.38 C ATOM 411 OE1 GLN A 104 6.029 8.758 3.871 1.00 0.46 O ATOM 412 NE2 GLN A 104 6.158 6.582 3.751 1.00 0.43 N ATOM 0 H GLN A 104 0.582 6.864 4.018 1.00 0.22 H new ATOM 0 HA GLN A 104 2.603 5.835 2.015 1.00 0.23 H new ATOM 0 HB2 GLN A 104 2.736 7.182 4.735 1.00 0.27 H new ATOM 0 HB3 GLN A 104 3.915 5.933 4.390 1.00 0.27 H new ATOM 0 HG2 GLN A 104 4.041 7.361 2.042 1.00 0.29 H new ATOM 0 HG3 GLN A 104 3.608 8.646 3.151 1.00 0.29 H new ATOM 0 HE21 GLN A 104 5.712 5.693 3.526 1.00 0.43 H new ATOM 0 HE22 GLN A 104 7.119 6.599 4.092 1.00 0.43 H new ATOM 421 N MET A 105 2.371 3.546 2.842 1.00 0.22 N ATOM 422 CA MET A 105 2.142 2.136 3.275 1.00 0.22 C ATOM 423 C MET A 105 3.399 1.316 3.013 1.00 0.21 C ATOM 424 O MET A 105 4.135 1.579 2.083 1.00 0.27 O ATOM 425 CB MET A 105 0.987 1.633 2.405 1.00 0.25 C ATOM 426 CG MET A 105 -0.256 2.492 2.648 1.00 0.30 C ATOM 427 SD MET A 105 -1.621 1.885 1.625 1.00 1.13 S ATOM 428 CE MET A 105 -0.967 2.407 0.019 1.00 0.36 C ATOM 0 H MET A 105 2.875 3.646 1.961 1.00 0.22 H new ATOM 0 HA MET A 105 1.911 2.056 4.337 1.00 0.22 H new ATOM 0 HB2 MET A 105 1.268 1.673 1.353 1.00 0.25 H new ATOM 0 HB3 MET A 105 0.771 0.590 2.638 1.00 0.25 H new ATOM 0 HG2 MET A 105 -0.534 2.458 3.701 1.00 0.30 H new ATOM 0 HG3 MET A 105 -0.043 3.534 2.408 1.00 0.30 H new ATOM 0 HE1 MET A 105 -1.793 2.595 -0.667 1.00 0.36 H new ATOM 0 HE2 MET A 105 -0.384 3.319 0.143 1.00 0.36 H new ATOM 0 HE3 MET A 105 -0.330 1.621 -0.387 1.00 0.36 H new ATOM 438 N VAL A 106 3.648 0.324 3.820 1.00 0.19 N ATOM 439 CA VAL A 106 4.853 -0.525 3.606 1.00 0.21 C ATOM 440 C VAL A 106 4.424 -1.768 2.838 1.00 0.18 C ATOM 441 O VAL A 106 3.289 -2.182 2.918 1.00 0.18 O ATOM 442 CB VAL A 106 5.358 -0.909 5.000 1.00 0.28 C ATOM 443 CG1 VAL A 106 6.680 -1.665 4.878 1.00 0.99 C ATOM 444 CG2 VAL A 106 5.573 0.350 5.849 1.00 0.83 C ATOM 0 H VAL A 106 3.070 0.064 4.619 1.00 0.19 H new ATOM 0 HA VAL A 106 5.634 -0.015 3.042 1.00 0.21 H new ATOM 0 HB VAL A 106 4.614 -1.544 5.481 1.00 0.28 H new ATOM 0 HG11 VAL A 106 7.037 -1.937 5.871 1.00 0.99 H new ATOM 0 HG12 VAL A 106 6.529 -2.568 4.287 1.00 0.99 H new ATOM 0 HG13 VAL A 106 7.418 -1.030 4.389 1.00 0.99 H new ATOM 0 HG21 VAL A 106 5.932 0.065 6.838 1.00 0.83 H new ATOM 0 HG22 VAL A 106 6.310 0.993 5.367 1.00 0.83 H new ATOM 0 HG23 VAL A 106 4.630 0.888 5.947 1.00 0.83 H new ATOM 454 N VAL A 107 5.311 -2.375 2.110 1.00 0.20 N ATOM 455 CA VAL A 107 4.924 -3.603 1.347 1.00 0.21 C ATOM 456 C VAL A 107 5.353 -4.844 2.126 1.00 0.20 C ATOM 457 O VAL A 107 6.428 -4.906 2.689 1.00 0.22 O ATOM 458 CB VAL A 107 5.635 -3.523 -0.011 1.00 0.27 C ATOM 459 CG1 VAL A 107 5.301 -4.766 -0.843 1.00 0.37 C ATOM 460 CG2 VAL A 107 5.161 -2.278 -0.763 1.00 0.28 C ATOM 0 H VAL A 107 6.283 -2.083 2.006 1.00 0.20 H new ATOM 0 HA VAL A 107 3.846 -3.667 1.201 1.00 0.21 H new ATOM 0 HB VAL A 107 6.711 -3.469 0.152 1.00 0.27 H new ATOM 0 HG11 VAL A 107 5.807 -4.706 -1.806 1.00 0.37 H new ATOM 0 HG12 VAL A 107 5.634 -5.659 -0.313 1.00 0.37 H new ATOM 0 HG13 VAL A 107 4.224 -4.819 -1.002 1.00 0.37 H new ATOM 0 HG21 VAL A 107 5.666 -2.221 -1.727 1.00 0.28 H new ATOM 0 HG22 VAL A 107 4.084 -2.336 -0.920 1.00 0.28 H new ATOM 0 HG23 VAL A 107 5.395 -1.389 -0.178 1.00 0.28 H new ATOM 470 N LEU A 108 4.511 -5.828 2.142 1.00 0.22 N ATOM 471 CA LEU A 108 4.812 -7.089 2.863 1.00 0.24 C ATOM 472 C LEU A 108 5.427 -8.088 1.881 1.00 0.26 C ATOM 473 O LEU A 108 6.275 -8.884 2.233 1.00 0.28 O ATOM 474 CB LEU A 108 3.440 -7.590 3.340 1.00 0.27 C ATOM 475 CG LEU A 108 2.978 -6.805 4.572 1.00 0.27 C ATOM 476 CD1 LEU A 108 2.137 -5.610 4.136 1.00 0.22 C ATOM 477 CD2 LEU A 108 2.125 -7.712 5.466 1.00 0.35 C ATOM 0 H LEU A 108 3.604 -5.813 1.675 1.00 0.22 H new ATOM 0 HA LEU A 108 5.512 -6.959 3.688 1.00 0.24 H new ATOM 0 HB2 LEU A 108 2.709 -7.483 2.539 1.00 0.27 H new ATOM 0 HB3 LEU A 108 3.498 -8.652 3.579 1.00 0.27 H new ATOM 0 HG LEU A 108 3.853 -6.457 5.122 1.00 0.27 H new ATOM 0 HD11 LEU A 108 1.811 -5.055 5.015 1.00 0.22 H new ATOM 0 HD12 LEU A 108 2.733 -4.959 3.497 1.00 0.22 H new ATOM 0 HD13 LEU A 108 1.265 -5.961 3.584 1.00 0.22 H new ATOM 0 HD21 LEU A 108 1.796 -7.154 6.343 1.00 0.35 H new ATOM 0 HD22 LEU A 108 1.255 -8.058 4.908 1.00 0.35 H new ATOM 0 HD23 LEU A 108 2.717 -8.570 5.784 1.00 0.35 H new ATOM 489 N GLU A 109 5.005 -8.033 0.644 1.00 0.28 N ATOM 490 CA GLU A 109 5.552 -8.962 -0.390 1.00 0.31 C ATOM 491 C GLU A 109 5.400 -8.348 -1.787 1.00 0.34 C ATOM 492 O GLU A 109 4.767 -7.323 -1.956 1.00 0.50 O ATOM 493 CB GLU A 109 4.707 -10.231 -0.267 1.00 0.37 C ATOM 494 CG GLU A 109 5.345 -11.171 0.760 1.00 0.39 C ATOM 495 CD GLU A 109 5.121 -12.623 0.334 1.00 0.53 C ATOM 496 OE1 GLU A 109 5.425 -12.939 -0.804 1.00 1.24 O ATOM 497 OE2 GLU A 109 4.650 -13.394 1.154 1.00 1.19 O ATOM 0 H GLU A 109 4.300 -7.379 0.304 1.00 0.28 H new ATOM 0 HA GLU A 109 6.614 -9.163 -0.246 1.00 0.31 H new ATOM 0 HB2 GLU A 109 3.692 -9.977 0.038 1.00 0.37 H new ATOM 0 HB3 GLU A 109 4.634 -10.728 -1.235 1.00 0.37 H new ATOM 0 HG2 GLU A 109 6.412 -10.966 0.842 1.00 0.39 H new ATOM 0 HG3 GLU A 109 4.911 -10.999 1.745 1.00 0.39 H new ATOM 504 N GLU A 110 5.968 -8.976 -2.786 1.00 0.35 N ATOM 505 CA GLU A 110 5.857 -8.446 -4.182 1.00 0.37 C ATOM 506 C GLU A 110 5.291 -9.533 -5.104 1.00 0.48 C ATOM 507 O GLU A 110 5.897 -10.572 -5.290 1.00 0.86 O ATOM 508 CB GLU A 110 7.291 -8.097 -4.587 1.00 0.40 C ATOM 509 CG GLU A 110 7.728 -6.812 -3.877 1.00 0.97 C ATOM 510 CD GLU A 110 9.209 -6.550 -4.159 1.00 1.39 C ATOM 511 OE1 GLU A 110 9.590 -6.603 -5.317 1.00 2.11 O ATOM 512 OE2 GLU A 110 9.937 -6.300 -3.212 1.00 1.83 O ATOM 0 H GLU A 110 6.507 -9.837 -2.695 1.00 0.35 H new ATOM 0 HA GLU A 110 5.194 -7.584 -4.251 1.00 0.37 H new ATOM 0 HB2 GLU A 110 7.962 -8.915 -4.326 1.00 0.40 H new ATOM 0 HB3 GLU A 110 7.353 -7.966 -5.667 1.00 0.40 H new ATOM 0 HG2 GLU A 110 7.127 -5.971 -4.222 1.00 0.97 H new ATOM 0 HG3 GLU A 110 7.562 -6.903 -2.804 1.00 0.97 H new ATOM 519 N SER A 111 4.133 -9.305 -5.672 1.00 0.48 N ATOM 520 CA SER A 111 3.521 -10.327 -6.575 1.00 0.57 C ATOM 521 C SER A 111 3.545 -9.839 -8.027 1.00 0.59 C ATOM 522 O SER A 111 4.319 -10.316 -8.834 1.00 0.94 O ATOM 523 CB SER A 111 2.082 -10.483 -6.086 1.00 0.72 C ATOM 524 OG SER A 111 1.341 -11.229 -7.042 1.00 0.90 O ATOM 0 H SER A 111 3.585 -8.454 -5.549 1.00 0.48 H new ATOM 0 HA SER A 111 4.064 -11.272 -6.550 1.00 0.57 H new ATOM 0 HB2 SER A 111 2.066 -10.989 -5.121 1.00 0.72 H new ATOM 0 HB3 SER A 111 1.627 -9.503 -5.940 1.00 0.72 H new ATOM 0 HG SER A 111 0.417 -11.333 -6.731 1.00 0.90 H new ATOM 530 N GLY A 112 2.702 -8.892 -8.362 1.00 0.70 N ATOM 531 CA GLY A 112 2.675 -8.376 -9.763 1.00 0.74 C ATOM 532 C GLY A 112 1.576 -7.319 -9.919 1.00 0.81 C ATOM 533 O GLY A 112 1.800 -6.144 -9.703 1.00 1.63 O ATOM 0 H GLY A 112 2.034 -8.456 -7.726 1.00 0.70 H new ATOM 0 HA2 GLY A 112 3.643 -7.944 -10.018 1.00 0.74 H new ATOM 0 HA3 GLY A 112 2.500 -9.198 -10.457 1.00 0.74 H new ATOM 537 N GLU A 113 0.395 -7.731 -10.307 1.00 0.52 N ATOM 538 CA GLU A 113 -0.728 -6.754 -10.501 1.00 0.55 C ATOM 539 C GLU A 113 -1.119 -6.085 -9.175 1.00 0.47 C ATOM 540 O GLU A 113 -1.290 -4.881 -9.108 1.00 0.60 O ATOM 541 CB GLU A 113 -1.894 -7.586 -11.041 1.00 0.81 C ATOM 542 CG GLU A 113 -1.503 -8.212 -12.381 1.00 1.51 C ATOM 543 CD GLU A 113 -1.602 -7.159 -13.487 1.00 2.14 C ATOM 544 OE1 GLU A 113 -2.644 -6.534 -13.591 1.00 2.79 O ATOM 545 OE2 GLU A 113 -0.633 -6.996 -14.210 1.00 2.60 O ATOM 0 H GLU A 113 0.157 -8.704 -10.499 1.00 0.52 H new ATOM 0 HA GLU A 113 -0.444 -5.950 -11.179 1.00 0.55 H new ATOM 0 HB2 GLU A 113 -2.158 -8.366 -10.327 1.00 0.81 H new ATOM 0 HB3 GLU A 113 -2.775 -6.957 -11.166 1.00 0.81 H new ATOM 0 HG2 GLU A 113 -0.487 -8.604 -12.328 1.00 1.51 H new ATOM 0 HG3 GLU A 113 -2.158 -9.053 -12.606 1.00 1.51 H new ATOM 552 N TRP A 114 -1.275 -6.856 -8.129 1.00 0.44 N ATOM 553 CA TRP A 114 -1.663 -6.270 -6.809 1.00 0.37 C ATOM 554 C TRP A 114 -0.678 -6.739 -5.731 1.00 0.32 C ATOM 555 O TRP A 114 -0.271 -7.884 -5.717 1.00 0.35 O ATOM 556 CB TRP A 114 -3.067 -6.815 -6.524 1.00 0.43 C ATOM 557 CG TRP A 114 -4.089 -6.121 -7.378 1.00 0.42 C ATOM 558 CD1 TRP A 114 -4.209 -6.257 -8.720 1.00 0.57 C ATOM 559 CD2 TRP A 114 -5.152 -5.207 -6.966 1.00 0.48 C ATOM 560 NE1 TRP A 114 -5.268 -5.480 -9.157 1.00 0.66 N ATOM 561 CE2 TRP A 114 -5.882 -4.816 -8.113 1.00 0.59 C ATOM 562 CE3 TRP A 114 -5.547 -4.684 -5.721 1.00 0.64 C ATOM 563 CZ2 TRP A 114 -6.966 -3.939 -8.028 1.00 0.74 C ATOM 564 CZ3 TRP A 114 -6.638 -3.803 -5.630 1.00 0.81 C ATOM 565 CH2 TRP A 114 -7.346 -3.431 -6.783 1.00 0.82 C ATOM 0 H TRP A 114 -1.150 -7.868 -8.132 1.00 0.44 H new ATOM 0 HA TRP A 114 -1.648 -5.180 -6.815 1.00 0.37 H new ATOM 0 HB2 TRP A 114 -3.092 -7.887 -6.717 1.00 0.43 H new ATOM 0 HB3 TRP A 114 -3.310 -6.675 -5.471 1.00 0.43 H new ATOM 0 HD1 TRP A 114 -3.581 -6.872 -9.347 1.00 0.57 H new ATOM 0 HE1 TRP A 114 -5.560 -5.407 -10.132 1.00 0.66 H new ATOM 0 HE3 TRP A 114 -5.007 -4.962 -4.828 1.00 0.64 H new ATOM 0 HZ2 TRP A 114 -7.507 -3.655 -8.919 1.00 0.74 H new ATOM 0 HZ3 TRP A 114 -6.933 -3.410 -4.668 1.00 0.81 H new ATOM 0 HH2 TRP A 114 -8.183 -2.753 -6.708 1.00 0.82 H new ATOM 576 N TRP A 115 -0.288 -5.865 -4.834 1.00 0.30 N ATOM 577 CA TRP A 115 0.681 -6.266 -3.759 1.00 0.27 C ATOM 578 C TRP A 115 0.040 -6.119 -2.375 1.00 0.24 C ATOM 579 O TRP A 115 -0.932 -5.411 -2.202 1.00 0.26 O ATOM 580 CB TRP A 115 1.865 -5.293 -3.888 1.00 0.30 C ATOM 581 CG TRP A 115 2.458 -5.327 -5.271 1.00 0.29 C ATOM 582 CD1 TRP A 115 2.422 -6.381 -6.128 1.00 0.32 C ATOM 583 CD2 TRP A 115 3.190 -4.270 -5.961 1.00 0.36 C ATOM 584 NE1 TRP A 115 3.079 -6.031 -7.296 1.00 0.35 N ATOM 585 CE2 TRP A 115 3.569 -4.742 -7.242 1.00 0.41 C ATOM 586 CE3 TRP A 115 3.555 -2.957 -5.604 1.00 0.45 C ATOM 587 CZ2 TRP A 115 4.285 -3.942 -8.135 1.00 0.54 C ATOM 588 CZ3 TRP A 115 4.276 -2.150 -6.501 1.00 0.59 C ATOM 589 CH2 TRP A 115 4.640 -2.642 -7.764 1.00 0.64 C ATOM 0 H TRP A 115 -0.596 -4.893 -4.798 1.00 0.30 H new ATOM 0 HA TRP A 115 0.988 -7.306 -3.867 1.00 0.27 H new ATOM 0 HB2 TRP A 115 1.532 -4.281 -3.658 1.00 0.30 H new ATOM 0 HB3 TRP A 115 2.631 -5.551 -3.156 1.00 0.30 H new ATOM 0 HD1 TRP A 115 1.957 -7.336 -5.931 1.00 0.32 H new ATOM 0 HE1 TRP A 115 3.188 -6.651 -8.099 1.00 0.35 H new ATOM 0 HE3 TRP A 115 3.279 -2.568 -4.635 1.00 0.45 H new ATOM 0 HZ2 TRP A 115 4.563 -4.325 -9.106 1.00 0.54 H new ATOM 0 HZ3 TRP A 115 4.552 -1.145 -6.217 1.00 0.59 H new ATOM 0 HH2 TRP A 115 5.194 -2.017 -8.449 1.00 0.64 H new ATOM 600 N LYS A 116 0.596 -6.772 -1.385 1.00 0.22 N ATOM 601 CA LYS A 116 0.036 -6.676 0.003 1.00 0.21 C ATOM 602 C LYS A 116 0.861 -5.680 0.832 1.00 0.20 C ATOM 603 O LYS A 116 2.041 -5.881 1.019 1.00 0.27 O ATOM 604 CB LYS A 116 0.183 -8.090 0.575 1.00 0.22 C ATOM 605 CG LYS A 116 -1.093 -8.486 1.321 1.00 0.45 C ATOM 606 CD LYS A 116 -0.889 -9.850 1.981 1.00 0.72 C ATOM 607 CE LYS A 116 -1.910 -10.033 3.106 1.00 0.84 C ATOM 608 NZ LYS A 116 -2.173 -11.499 3.152 1.00 1.41 N ATOM 0 H LYS A 116 1.417 -7.370 -1.477 1.00 0.22 H new ATOM 0 HA LYS A 116 -0.997 -6.329 0.016 1.00 0.21 H new ATOM 0 HB2 LYS A 116 0.379 -8.799 -0.230 1.00 0.22 H new ATOM 0 HB3 LYS A 116 1.037 -8.131 1.251 1.00 0.22 H new ATOM 0 HG2 LYS A 116 -1.335 -7.737 2.075 1.00 0.45 H new ATOM 0 HG3 LYS A 116 -1.935 -8.526 0.630 1.00 0.45 H new ATOM 0 HD2 LYS A 116 -1.001 -10.643 1.242 1.00 0.72 H new ATOM 0 HD3 LYS A 116 0.123 -9.925 2.379 1.00 0.72 H new ATOM 0 HE2 LYS A 116 -1.519 -9.672 4.057 1.00 0.84 H new ATOM 0 HE3 LYS A 116 -2.824 -9.474 2.905 1.00 0.84 H new ATOM 0 HZ1 LYS A 116 -2.799 -11.714 3.954 1.00 1.41 H new ATOM 0 HZ2 LYS A 116 -2.629 -11.798 2.267 1.00 1.41 H new ATOM 0 HZ3 LYS A 116 -1.274 -12.009 3.268 1.00 1.41 H new ATOM 622 N ALA A 117 0.263 -4.615 1.330 1.00 0.17 N ATOM 623 CA ALA A 117 1.054 -3.622 2.134 1.00 0.17 C ATOM 624 C ALA A 117 0.384 -3.284 3.482 1.00 0.17 C ATOM 625 O ALA A 117 -0.792 -3.525 3.693 1.00 0.18 O ATOM 626 CB ALA A 117 1.114 -2.376 1.253 1.00 0.21 C ATOM 0 H ALA A 117 -0.726 -4.394 1.216 1.00 0.17 H new ATOM 0 HA ALA A 117 2.036 -4.021 2.388 1.00 0.17 H new ATOM 0 HB1 ALA A 117 1.677 -1.595 1.765 1.00 0.21 H new ATOM 0 HB2 ALA A 117 1.606 -2.620 0.311 1.00 0.21 H new ATOM 0 HB3 ALA A 117 0.102 -2.023 1.053 1.00 0.21 H new ATOM 632 N ARG A 118 1.140 -2.703 4.391 1.00 0.16 N ATOM 633 CA ARG A 118 0.593 -2.326 5.721 1.00 0.17 C ATOM 634 C ARG A 118 0.578 -0.799 5.883 1.00 0.17 C ATOM 635 O ARG A 118 1.610 -0.153 5.877 1.00 0.19 O ATOM 636 CB ARG A 118 1.553 -2.976 6.727 1.00 0.21 C ATOM 637 CG ARG A 118 1.165 -2.593 8.164 1.00 0.23 C ATOM 638 CD ARG A 118 2.417 -2.192 8.950 1.00 0.28 C ATOM 639 NE ARG A 118 1.960 -2.002 10.363 1.00 0.92 N ATOM 640 CZ ARG A 118 2.826 -1.812 11.341 1.00 1.19 C ATOM 641 NH1 ARG A 118 4.118 -1.747 11.113 1.00 1.25 N ATOM 642 NH2 ARG A 118 2.390 -1.682 12.562 1.00 1.61 N ATOM 0 H ARG A 118 2.125 -2.475 4.256 1.00 0.16 H new ATOM 0 HA ARG A 118 -0.436 -2.658 5.861 1.00 0.17 H new ATOM 0 HB2 ARG A 118 1.529 -4.060 6.614 1.00 0.21 H new ATOM 0 HB3 ARG A 118 2.575 -2.657 6.522 1.00 0.21 H new ATOM 0 HG2 ARG A 118 0.453 -1.768 8.151 1.00 0.23 H new ATOM 0 HG3 ARG A 118 0.671 -3.432 8.653 1.00 0.23 H new ATOM 0 HD2 ARG A 118 3.184 -2.964 8.886 1.00 0.28 H new ATOM 0 HD3 ARG A 118 2.853 -1.276 8.552 1.00 0.28 H new ATOM 0 HE ARG A 118 0.962 -2.020 10.574 1.00 0.92 H new ATOM 0 HH11 ARG A 118 4.474 -1.844 10.162 1.00 1.25 H new ATOM 0 HH12 ARG A 118 4.766 -1.599 11.887 1.00 1.25 H new ATOM 0 HH21 ARG A 118 1.389 -1.727 12.754 1.00 1.61 H new ATOM 0 HH22 ARG A 118 3.049 -1.535 13.326 1.00 1.61 H new ATOM 656 N SER A 119 -0.587 -0.227 6.056 1.00 0.17 N ATOM 657 CA SER A 119 -0.685 1.250 6.248 1.00 0.19 C ATOM 658 C SER A 119 -0.216 1.615 7.659 1.00 0.22 C ATOM 659 O SER A 119 -0.800 1.189 8.647 1.00 0.24 O ATOM 660 CB SER A 119 -2.167 1.583 6.080 1.00 0.20 C ATOM 661 OG SER A 119 -2.297 2.900 5.560 1.00 0.32 O ATOM 0 H SER A 119 -1.478 -0.723 6.072 1.00 0.17 H new ATOM 0 HA SER A 119 -0.066 1.802 5.541 1.00 0.19 H new ATOM 0 HB2 SER A 119 -2.639 0.866 5.408 1.00 0.20 H new ATOM 0 HB3 SER A 119 -2.680 1.506 7.039 1.00 0.20 H new ATOM 0 HG SER A 119 -3.247 3.116 5.450 1.00 0.32 H new ATOM 667 N LEU A 120 0.831 2.397 7.759 1.00 0.28 N ATOM 668 CA LEU A 120 1.354 2.797 9.103 1.00 0.34 C ATOM 669 C LEU A 120 0.375 3.751 9.793 1.00 0.36 C ATOM 670 O LEU A 120 0.347 3.849 11.005 1.00 0.41 O ATOM 671 CB LEU A 120 2.684 3.505 8.829 1.00 0.40 C ATOM 672 CG LEU A 120 3.708 2.490 8.320 1.00 0.41 C ATOM 673 CD1 LEU A 120 4.726 3.198 7.424 1.00 0.50 C ATOM 674 CD2 LEU A 120 4.433 1.858 9.510 1.00 0.42 C ATOM 0 H LEU A 120 1.347 2.777 6.966 1.00 0.28 H new ATOM 0 HA LEU A 120 1.480 1.937 9.761 1.00 0.34 H new ATOM 0 HB2 LEU A 120 2.542 4.295 8.092 1.00 0.40 H new ATOM 0 HB3 LEU A 120 3.049 3.980 9.739 1.00 0.40 H new ATOM 0 HG LEU A 120 3.198 1.714 7.749 1.00 0.41 H new ATOM 0 HD11 LEU A 120 5.456 2.475 7.061 1.00 0.50 H new ATOM 0 HD12 LEU A 120 4.212 3.651 6.576 1.00 0.50 H new ATOM 0 HD13 LEU A 120 5.236 3.973 7.995 1.00 0.50 H new ATOM 0 HD21 LEU A 120 5.163 1.134 9.148 1.00 0.42 H new ATOM 0 HD22 LEU A 120 4.943 2.635 10.079 1.00 0.42 H new ATOM 0 HD23 LEU A 120 3.710 1.354 10.151 1.00 0.42 H new ATOM 686 N ALA A 121 -0.426 4.456 9.030 1.00 0.33 N ATOM 687 CA ALA A 121 -1.409 5.405 9.643 1.00 0.37 C ATOM 688 C ALA A 121 -2.332 4.660 10.615 1.00 0.36 C ATOM 689 O ALA A 121 -2.880 5.244 11.531 1.00 0.41 O ATOM 690 CB ALA A 121 -2.212 5.972 8.470 1.00 0.36 C ATOM 0 H ALA A 121 -0.442 4.415 8.011 1.00 0.33 H new ATOM 0 HA ALA A 121 -0.915 6.192 10.213 1.00 0.37 H new ATOM 0 HB1 ALA A 121 -2.954 6.677 8.844 1.00 0.36 H new ATOM 0 HB2 ALA A 121 -1.539 6.484 7.782 1.00 0.36 H new ATOM 0 HB3 ALA A 121 -2.716 5.159 7.947 1.00 0.36 H new ATOM 696 N THR A 122 -2.497 3.373 10.424 1.00 0.33 N ATOM 697 CA THR A 122 -3.373 2.583 11.339 1.00 0.33 C ATOM 698 C THR A 122 -2.756 1.204 11.629 1.00 0.32 C ATOM 699 O THR A 122 -3.415 0.330 12.159 1.00 0.33 O ATOM 700 CB THR A 122 -4.699 2.433 10.589 1.00 0.32 C ATOM 701 OG1 THR A 122 -4.448 1.951 9.276 1.00 0.28 O ATOM 702 CG2 THR A 122 -5.405 3.788 10.512 1.00 0.38 C ATOM 0 H THR A 122 -2.062 2.837 9.673 1.00 0.33 H new ATOM 0 HA THR A 122 -3.501 3.074 12.304 1.00 0.33 H new ATOM 0 HB THR A 122 -5.337 1.726 11.120 1.00 0.32 H new ATOM 0 HG1 THR A 122 -5.297 1.853 8.796 1.00 0.28 H new ATOM 0 HG21 THR A 122 -6.348 3.677 9.977 1.00 0.38 H new ATOM 0 HG22 THR A 122 -5.600 4.154 11.520 1.00 0.38 H new ATOM 0 HG23 THR A 122 -4.770 4.499 9.984 1.00 0.38 H new ATOM 710 N ARG A 123 -1.496 0.998 11.292 1.00 0.32 N ATOM 711 CA ARG A 123 -0.837 -0.330 11.552 1.00 0.33 C ATOM 712 C ARG A 123 -1.673 -1.474 10.971 1.00 0.30 C ATOM 713 O ARG A 123 -1.640 -2.586 11.465 1.00 0.34 O ATOM 714 CB ARG A 123 -0.760 -0.456 13.077 1.00 0.38 C ATOM 715 CG ARG A 123 0.237 0.567 13.634 1.00 0.47 C ATOM 716 CD ARG A 123 1.035 -0.058 14.786 1.00 1.20 C ATOM 717 NE ARG A 123 0.845 0.865 15.964 1.00 1.38 N ATOM 718 CZ ARG A 123 1.178 2.139 15.931 1.00 1.83 C ATOM 719 NH1 ARG A 123 1.832 2.648 14.915 1.00 2.42 N ATOM 720 NH2 ARG A 123 0.894 2.900 16.952 1.00 2.44 N ATOM 0 H ARG A 123 -0.897 1.694 10.848 1.00 0.32 H new ATOM 0 HA ARG A 123 0.146 -0.386 11.085 1.00 0.33 H new ATOM 0 HB2 ARG A 123 -1.745 -0.293 13.515 1.00 0.38 H new ATOM 0 HB3 ARG A 123 -0.452 -1.465 13.352 1.00 0.38 H new ATOM 0 HG2 ARG A 123 0.915 0.894 12.846 1.00 0.47 H new ATOM 0 HG3 ARG A 123 -0.294 1.452 13.985 1.00 0.47 H new ATOM 0 HD2 ARG A 123 0.674 -1.061 15.013 1.00 1.20 H new ATOM 0 HD3 ARG A 123 2.090 -0.150 14.527 1.00 1.20 H new ATOM 0 HE ARG A 123 0.442 0.487 16.821 1.00 1.38 H new ATOM 0 HH11 ARG A 123 2.094 2.054 14.128 1.00 2.42 H new ATOM 0 HH12 ARG A 123 2.079 3.638 14.912 1.00 2.42 H new ATOM 0 HH21 ARG A 123 0.419 2.507 17.765 1.00 2.44 H new ATOM 0 HH22 ARG A 123 1.147 3.888 16.938 1.00 2.44 H new ATOM 734 N LYS A 124 -2.409 -1.214 9.921 1.00 0.26 N ATOM 735 CA LYS A 124 -3.239 -2.292 9.302 1.00 0.26 C ATOM 736 C LYS A 124 -2.583 -2.734 8.001 1.00 0.23 C ATOM 737 O LYS A 124 -1.626 -2.136 7.569 1.00 0.23 O ATOM 738 CB LYS A 124 -4.599 -1.655 9.022 1.00 0.27 C ATOM 739 CG LYS A 124 -5.198 -1.112 10.323 1.00 0.35 C ATOM 740 CD LYS A 124 -6.723 -1.229 10.276 1.00 0.53 C ATOM 741 CE LYS A 124 -7.271 -1.322 11.702 1.00 1.18 C ATOM 742 NZ LYS A 124 -8.747 -1.173 11.559 1.00 1.39 N ATOM 0 H LYS A 124 -2.471 -0.303 9.466 1.00 0.26 H new ATOM 0 HA LYS A 124 -3.338 -3.166 9.945 1.00 0.26 H new ATOM 0 HB2 LYS A 124 -4.490 -0.848 8.297 1.00 0.27 H new ATOM 0 HB3 LYS A 124 -5.271 -2.391 8.581 1.00 0.27 H new ATOM 0 HG2 LYS A 124 -4.807 -1.668 11.175 1.00 0.35 H new ATOM 0 HG3 LYS A 124 -4.907 -0.071 10.462 1.00 0.35 H new ATOM 0 HD2 LYS A 124 -7.149 -0.365 9.767 1.00 0.53 H new ATOM 0 HD3 LYS A 124 -7.013 -2.111 9.705 1.00 0.53 H new ATOM 0 HE2 LYS A 124 -7.013 -2.276 12.162 1.00 1.18 H new ATOM 0 HE3 LYS A 124 -6.855 -0.539 12.336 1.00 1.18 H new ATOM 0 HZ1 LYS A 124 -9.194 -1.226 12.497 1.00 1.39 H new ATOM 0 HZ2 LYS A 124 -8.963 -0.253 11.125 1.00 1.39 H new ATOM 0 HZ3 LYS A 124 -9.116 -1.936 10.956 1.00 1.39 H new ATOM 756 N GLU A 125 -3.081 -3.766 7.372 1.00 0.23 N ATOM 757 CA GLU A 125 -2.451 -4.219 6.095 1.00 0.23 C ATOM 758 C GLU A 125 -3.433 -4.979 5.213 1.00 0.25 C ATOM 759 O GLU A 125 -4.294 -5.698 5.682 1.00 0.32 O ATOM 760 CB GLU A 125 -1.274 -5.107 6.511 1.00 0.28 C ATOM 761 CG GLU A 125 -1.771 -6.287 7.355 1.00 0.36 C ATOM 762 CD GLU A 125 -1.501 -6.027 8.843 1.00 0.59 C ATOM 763 OE1 GLU A 125 -1.375 -4.871 9.216 1.00 1.15 O ATOM 764 OE2 GLU A 125 -1.426 -6.991 9.585 1.00 1.42 O ATOM 0 H GLU A 125 -3.887 -4.310 7.682 1.00 0.23 H new ATOM 0 HA GLU A 125 -2.124 -3.369 5.496 1.00 0.23 H new ATOM 0 HB2 GLU A 125 -0.757 -5.477 5.625 1.00 0.28 H new ATOM 0 HB3 GLU A 125 -0.552 -4.522 7.081 1.00 0.28 H new ATOM 0 HG2 GLU A 125 -2.839 -6.435 7.192 1.00 0.36 H new ATOM 0 HG3 GLU A 125 -1.271 -7.203 7.042 1.00 0.36 H new ATOM 771 N GLY A 126 -3.288 -4.818 3.925 1.00 0.26 N ATOM 772 CA GLY A 126 -4.184 -5.516 2.967 1.00 0.29 C ATOM 773 C GLY A 126 -3.606 -5.392 1.558 1.00 0.26 C ATOM 774 O GLY A 126 -2.408 -5.428 1.369 1.00 0.29 O ATOM 0 H GLY A 126 -2.578 -4.225 3.494 1.00 0.26 H new ATOM 0 HA2 GLY A 126 -4.282 -6.566 3.242 1.00 0.29 H new ATOM 0 HA3 GLY A 126 -5.183 -5.082 3.003 1.00 0.29 H new ATOM 778 N TYR A 127 -4.453 -5.229 0.576 1.00 0.31 N ATOM 779 CA TYR A 127 -3.980 -5.108 -0.838 1.00 0.30 C ATOM 780 C TYR A 127 -3.809 -3.638 -1.230 1.00 0.32 C ATOM 781 O TYR A 127 -4.402 -2.757 -0.637 1.00 0.45 O ATOM 782 CB TYR A 127 -5.105 -5.721 -1.683 1.00 0.33 C ATOM 783 CG TYR A 127 -5.356 -7.156 -1.284 1.00 0.30 C ATOM 784 CD1 TYR A 127 -4.405 -8.145 -1.562 1.00 0.44 C ATOM 785 CD2 TYR A 127 -6.548 -7.493 -0.637 1.00 0.29 C ATOM 786 CE1 TYR A 127 -4.650 -9.473 -1.189 1.00 0.50 C ATOM 787 CE2 TYR A 127 -6.794 -8.816 -0.263 1.00 0.37 C ATOM 788 CZ TYR A 127 -5.845 -9.808 -0.538 1.00 0.45 C ATOM 789 OH TYR A 127 -6.087 -11.116 -0.169 1.00 0.57 O ATOM 0 H TYR A 127 -5.465 -5.174 0.693 1.00 0.31 H new ATOM 0 HA TYR A 127 -3.018 -5.600 -0.980 1.00 0.30 H new ATOM 0 HB2 TYR A 127 -6.018 -5.139 -1.558 1.00 0.33 H new ATOM 0 HB3 TYR A 127 -4.839 -5.674 -2.739 1.00 0.33 H new ATOM 0 HD1 TYR A 127 -3.484 -7.885 -2.063 1.00 0.44 H new ATOM 0 HD2 TYR A 127 -7.281 -6.728 -0.426 1.00 0.29 H new ATOM 0 HE1 TYR A 127 -3.918 -10.238 -1.403 1.00 0.50 H new ATOM 0 HE2 TYR A 127 -7.715 -9.074 0.238 1.00 0.37 H new ATOM 0 HH TYR A 127 -6.960 -11.175 0.272 1.00 0.57 H new ATOM 799 N ILE A 128 -3.021 -3.377 -2.245 1.00 0.29 N ATOM 800 CA ILE A 128 -2.819 -1.973 -2.712 1.00 0.34 C ATOM 801 C ILE A 128 -2.543 -1.973 -4.229 1.00 0.33 C ATOM 802 O ILE A 128 -1.545 -2.517 -4.662 1.00 0.38 O ATOM 803 CB ILE A 128 -1.603 -1.435 -1.944 1.00 0.35 C ATOM 804 CG1 ILE A 128 -0.381 -2.335 -2.194 1.00 0.33 C ATOM 805 CG2 ILE A 128 -1.922 -1.395 -0.448 1.00 0.43 C ATOM 806 CD1 ILE A 128 0.595 -1.631 -3.140 1.00 0.45 C ATOM 0 H ILE A 128 -2.507 -4.083 -2.772 1.00 0.29 H new ATOM 0 HA ILE A 128 -3.697 -1.353 -2.532 1.00 0.34 H new ATOM 0 HB ILE A 128 -1.375 -0.428 -2.293 1.00 0.35 H new ATOM 0 HG12 ILE A 128 0.114 -2.563 -1.250 1.00 0.33 H new ATOM 0 HG13 ILE A 128 -0.699 -3.284 -2.625 1.00 0.33 H new ATOM 0 HG21 ILE A 128 -1.059 -1.013 0.098 1.00 0.43 H new ATOM 0 HG22 ILE A 128 -2.778 -0.743 -0.276 1.00 0.43 H new ATOM 0 HG23 ILE A 128 -2.156 -2.401 -0.099 1.00 0.43 H new ATOM 0 HD11 ILE A 128 1.459 -2.272 -3.314 1.00 0.45 H new ATOM 0 HD12 ILE A 128 0.098 -1.426 -4.088 1.00 0.45 H new ATOM 0 HD13 ILE A 128 0.923 -0.693 -2.692 1.00 0.45 H new ATOM 818 N PRO A 129 -3.435 -1.383 -5.003 1.00 0.39 N ATOM 819 CA PRO A 129 -3.241 -1.343 -6.482 1.00 0.44 C ATOM 820 C PRO A 129 -1.876 -0.745 -6.854 1.00 0.38 C ATOM 821 O PRO A 129 -1.634 0.434 -6.692 1.00 0.33 O ATOM 822 CB PRO A 129 -4.389 -0.460 -6.972 1.00 0.56 C ATOM 823 CG PRO A 129 -5.428 -0.560 -5.904 1.00 0.63 C ATOM 824 CD PRO A 129 -4.687 -0.717 -4.605 1.00 0.52 C ATOM 0 HA PRO A 129 -3.249 -2.335 -6.934 1.00 0.44 H new ATOM 0 HB2 PRO A 129 -4.063 0.571 -7.112 1.00 0.56 H new ATOM 0 HB3 PRO A 129 -4.773 -0.806 -7.932 1.00 0.56 H new ATOM 0 HG2 PRO A 129 -6.056 0.331 -5.888 1.00 0.63 H new ATOM 0 HG3 PRO A 129 -6.086 -1.410 -6.081 1.00 0.63 H new ATOM 0 HD2 PRO A 129 -4.497 0.247 -4.132 1.00 0.52 H new ATOM 0 HD3 PRO A 129 -5.251 -1.317 -3.891 1.00 0.52 H new ATOM 832 N SER A 130 -0.988 -1.568 -7.358 1.00 0.47 N ATOM 833 CA SER A 130 0.377 -1.084 -7.747 1.00 0.51 C ATOM 834 C SER A 130 0.307 -0.038 -8.868 1.00 0.49 C ATOM 835 O SER A 130 1.155 0.830 -8.966 1.00 0.56 O ATOM 836 CB SER A 130 1.117 -2.325 -8.250 1.00 0.71 C ATOM 837 OG SER A 130 0.980 -3.372 -7.299 1.00 0.70 O ATOM 0 H SER A 130 -1.151 -2.562 -7.518 1.00 0.47 H new ATOM 0 HA SER A 130 0.875 -0.607 -6.903 1.00 0.51 H new ATOM 0 HB2 SER A 130 0.713 -2.638 -9.213 1.00 0.71 H new ATOM 0 HB3 SER A 130 2.171 -2.096 -8.406 1.00 0.71 H new ATOM 0 HG SER A 130 1.828 -3.858 -7.223 1.00 0.70 H new ATOM 843 N ASN A 131 -0.674 -0.133 -9.731 1.00 0.50 N ATOM 844 CA ASN A 131 -0.778 0.842 -10.865 1.00 0.55 C ATOM 845 C ASN A 131 -1.194 2.242 -10.375 1.00 0.47 C ATOM 846 O ASN A 131 -1.103 3.205 -11.113 1.00 0.68 O ATOM 847 CB ASN A 131 -1.834 0.253 -11.807 1.00 0.65 C ATOM 848 CG ASN A 131 -3.173 0.117 -11.077 1.00 0.61 C ATOM 849 OD1 ASN A 131 -3.260 0.353 -9.890 1.00 1.08 O ATOM 850 ND2 ASN A 131 -4.231 -0.251 -11.748 1.00 1.07 N ATOM 0 H ASN A 131 -1.407 -0.842 -9.701 1.00 0.50 H new ATOM 0 HA ASN A 131 0.183 0.978 -11.362 1.00 0.55 H new ATOM 0 HB2 ASN A 131 -1.951 0.894 -12.681 1.00 0.65 H new ATOM 0 HB3 ASN A 131 -1.507 -0.722 -12.168 1.00 0.65 H new ATOM 0 HD21 ASN A 131 -5.130 -0.340 -11.274 1.00 1.07 H new ATOM 0 HD22 ASN A 131 -4.159 -0.450 -12.746 1.00 1.07 H new ATOM 857 N TYR A 132 -1.641 2.367 -9.147 1.00 0.30 N ATOM 858 CA TYR A 132 -2.048 3.713 -8.623 1.00 0.39 C ATOM 859 C TYR A 132 -1.244 4.046 -7.360 1.00 0.34 C ATOM 860 O TYR A 132 -1.788 4.497 -6.368 1.00 0.38 O ATOM 861 CB TYR A 132 -3.534 3.589 -8.279 1.00 0.55 C ATOM 862 CG TYR A 132 -4.361 3.723 -9.540 1.00 0.70 C ATOM 863 CD1 TYR A 132 -4.432 4.954 -10.203 1.00 1.01 C ATOM 864 CD2 TYR A 132 -5.054 2.617 -10.046 1.00 0.99 C ATOM 865 CE1 TYR A 132 -5.196 5.078 -11.369 1.00 1.13 C ATOM 866 CE2 TYR A 132 -5.817 2.742 -11.212 1.00 1.14 C ATOM 867 CZ TYR A 132 -5.889 3.972 -11.874 1.00 1.04 C ATOM 868 OH TYR A 132 -6.641 4.094 -13.025 1.00 1.22 O ATOM 0 H TYR A 132 -1.742 1.597 -8.485 1.00 0.30 H new ATOM 0 HA TYR A 132 -1.865 4.504 -9.350 1.00 0.39 H new ATOM 0 HB2 TYR A 132 -3.729 2.627 -7.805 1.00 0.55 H new ATOM 0 HB3 TYR A 132 -3.817 4.360 -7.563 1.00 0.55 H new ATOM 0 HD1 TYR A 132 -3.897 5.808 -9.815 1.00 1.01 H new ATOM 0 HD2 TYR A 132 -5.000 1.667 -9.536 1.00 0.99 H new ATOM 0 HE1 TYR A 132 -5.251 6.028 -11.880 1.00 1.13 H new ATOM 0 HE2 TYR A 132 -6.351 1.888 -11.601 1.00 1.14 H new ATOM 0 HH TYR A 132 -7.056 3.232 -13.238 1.00 1.22 H new ATOM 878 N VAL A 133 0.045 3.817 -7.388 1.00 0.31 N ATOM 879 CA VAL A 133 0.883 4.100 -6.186 1.00 0.29 C ATOM 880 C VAL A 133 2.340 4.336 -6.585 1.00 0.32 C ATOM 881 O VAL A 133 2.739 4.098 -7.709 1.00 0.35 O ATOM 882 CB VAL A 133 0.747 2.841 -5.319 1.00 0.31 C ATOM 883 CG1 VAL A 133 1.231 1.611 -6.090 1.00 0.93 C ATOM 884 CG2 VAL A 133 1.566 2.974 -4.036 1.00 0.91 C ATOM 0 H VAL A 133 0.552 3.446 -8.192 1.00 0.31 H new ATOM 0 HA VAL A 133 0.565 4.999 -5.659 1.00 0.29 H new ATOM 0 HB VAL A 133 -0.306 2.725 -5.063 1.00 0.31 H new ATOM 0 HG11 VAL A 133 1.129 0.725 -5.463 1.00 0.93 H new ATOM 0 HG12 VAL A 133 0.632 1.488 -6.992 1.00 0.93 H new ATOM 0 HG13 VAL A 133 2.278 1.742 -6.365 1.00 0.93 H new ATOM 0 HG21 VAL A 133 1.454 2.070 -3.438 1.00 0.91 H new ATOM 0 HG22 VAL A 133 2.617 3.115 -4.288 1.00 0.91 H new ATOM 0 HG23 VAL A 133 1.212 3.833 -3.466 1.00 0.91 H new ATOM 894 N ALA A 134 3.130 4.789 -5.656 1.00 0.33 N ATOM 895 CA ALA A 134 4.577 5.038 -5.938 1.00 0.37 C ATOM 896 C ALA A 134 5.435 4.198 -4.983 1.00 0.35 C ATOM 897 O ALA A 134 5.348 4.338 -3.778 1.00 0.35 O ATOM 898 CB ALA A 134 4.784 6.537 -5.692 1.00 0.39 C ATOM 0 H ALA A 134 2.837 5.001 -4.702 1.00 0.33 H new ATOM 0 HA ALA A 134 4.863 4.762 -6.953 1.00 0.37 H new ATOM 0 HB1 ALA A 134 5.826 6.796 -5.879 1.00 0.39 H new ATOM 0 HB2 ALA A 134 4.142 7.108 -6.363 1.00 0.39 H new ATOM 0 HB3 ALA A 134 4.531 6.774 -4.659 1.00 0.39 H new ATOM 904 N ARG A 135 6.243 3.309 -5.509 1.00 0.41 N ATOM 905 CA ARG A 135 7.080 2.445 -4.639 1.00 0.46 C ATOM 906 C ARG A 135 8.467 3.055 -4.406 1.00 0.46 C ATOM 907 O ARG A 135 9.162 3.417 -5.333 1.00 0.60 O ATOM 908 CB ARG A 135 7.196 1.137 -5.413 1.00 0.64 C ATOM 909 CG ARG A 135 7.788 0.075 -4.499 1.00 0.76 C ATOM 910 CD ARG A 135 7.135 -1.279 -4.785 1.00 1.16 C ATOM 911 NE ARG A 135 7.774 -1.764 -6.050 1.00 1.30 N ATOM 912 CZ ARG A 135 7.608 -3.003 -6.472 1.00 1.74 C ATOM 913 NH1 ARG A 135 6.875 -3.865 -5.805 1.00 2.55 N ATOM 914 NH2 ARG A 135 8.185 -3.380 -7.580 1.00 2.00 N ATOM 0 H ARG A 135 6.354 3.149 -6.510 1.00 0.41 H new ATOM 0 HA ARG A 135 6.642 2.317 -3.649 1.00 0.46 H new ATOM 0 HB2 ARG A 135 6.216 0.822 -5.771 1.00 0.64 H new ATOM 0 HB3 ARG A 135 7.827 1.273 -6.291 1.00 0.64 H new ATOM 0 HG2 ARG A 135 8.865 0.009 -4.653 1.00 0.76 H new ATOM 0 HG3 ARG A 135 7.631 0.351 -3.456 1.00 0.76 H new ATOM 0 HD2 ARG A 135 7.303 -1.978 -3.966 1.00 1.16 H new ATOM 0 HD3 ARG A 135 6.056 -1.179 -4.902 1.00 1.16 H new ATOM 0 HE ARG A 135 8.349 -1.123 -6.596 1.00 1.30 H new ATOM 0 HH11 ARG A 135 6.418 -3.582 -4.938 1.00 2.55 H new ATOM 0 HH12 ARG A 135 6.763 -4.817 -6.154 1.00 2.55 H new ATOM 0 HH21 ARG A 135 8.756 -2.720 -8.108 1.00 2.00 H new ATOM 0 HH22 ARG A 135 8.065 -4.335 -7.918 1.00 2.00 H new ATOM 928 N VAL A 136 8.868 3.154 -3.164 1.00 0.42 N ATOM 929 CA VAL A 136 10.205 3.720 -2.827 1.00 0.51 C ATOM 930 C VAL A 136 10.908 2.817 -1.801 1.00 0.68 C ATOM 931 O VAL A 136 10.272 2.062 -1.083 1.00 0.60 O ATOM 932 CB VAL A 136 9.921 5.095 -2.216 1.00 0.70 C ATOM 933 CG1 VAL A 136 9.295 6.010 -3.269 1.00 0.81 C ATOM 934 CG2 VAL A 136 8.965 4.962 -1.024 1.00 0.86 C ATOM 0 H VAL A 136 8.315 2.861 -2.358 1.00 0.42 H new ATOM 0 HA VAL A 136 10.854 3.792 -3.700 1.00 0.51 H new ATOM 0 HB VAL A 136 10.862 5.524 -1.871 1.00 0.70 H new ATOM 0 HG11 VAL A 136 9.095 6.987 -2.829 1.00 0.81 H new ATOM 0 HG12 VAL A 136 9.982 6.123 -4.107 1.00 0.81 H new ATOM 0 HG13 VAL A 136 8.361 5.573 -3.622 1.00 0.81 H new ATOM 0 HG21 VAL A 136 8.773 5.948 -0.600 1.00 0.86 H new ATOM 0 HG22 VAL A 136 8.026 4.521 -1.358 1.00 0.86 H new ATOM 0 HG23 VAL A 136 9.416 4.323 -0.265 1.00 0.86 H new ATOM 944 N ASP A 137 12.213 2.891 -1.731 1.00 1.08 N ATOM 945 CA ASP A 137 12.973 2.063 -0.777 1.00 1.44 C ATOM 946 C ASP A 137 13.630 2.962 0.277 1.00 2.28 C ATOM 947 O ASP A 137 14.838 3.105 0.317 1.00 2.85 O ATOM 948 CB ASP A 137 14.034 1.355 -1.637 1.00 2.07 C ATOM 949 CG ASP A 137 14.932 2.383 -2.347 1.00 2.87 C ATOM 950 OD1 ASP A 137 14.675 3.571 -2.217 1.00 3.37 O ATOM 951 OD2 ASP A 137 15.863 1.960 -3.011 1.00 3.41 O ATOM 0 H ASP A 137 12.785 3.506 -2.311 1.00 1.08 H new ATOM 0 HA ASP A 137 12.348 1.350 -0.239 1.00 1.44 H new ATOM 0 HB2 ASP A 137 14.643 0.704 -1.009 1.00 2.07 H new ATOM 0 HB3 ASP A 137 13.546 0.719 -2.376 1.00 2.07 H new ATOM 956 N SER A 138 12.840 3.569 1.125 1.00 2.90 N ATOM 957 CA SER A 138 13.408 4.462 2.179 1.00 3.84 C ATOM 958 C SER A 138 12.813 4.111 3.545 1.00 4.46 C ATOM 959 O SER A 138 11.711 4.555 3.820 1.00 4.79 O ATOM 960 CB SER A 138 13.001 5.874 1.762 1.00 4.60 C ATOM 961 OG SER A 138 13.962 6.802 2.247 1.00 5.44 O ATOM 0 H SER A 138 11.824 3.484 1.133 1.00 2.90 H new ATOM 0 HA SER A 138 14.490 4.360 2.269 1.00 3.84 H new ATOM 0 HB2 SER A 138 12.931 5.939 0.676 1.00 4.60 H new ATOM 0 HB3 SER A 138 12.015 6.113 2.160 1.00 4.60 H new ATOM 0 HG SER A 138 13.705 7.709 1.980 1.00 5.44 H new TER 967 SER A 138 END