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 10 EXPRESSION_SYSTEM_PLASMID: PET-14B; SOURCE 11 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 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 7 HA SER A 78 17.984 3.351 3.707 1.00 4.08 H ATOM 8 HB2 SER A 78 17.177 1.463 5.834 1.00 4.21 H ATOM 9 HB3 SER A 78 17.942 0.711 4.437 1.00 4.35 H ATOM 10 HG SER A 78 18.955 2.915 5.921 1.00 5.22 H 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 20 H GLU A 79 18.026 0.913 2.447 1.00 3.08 H ATOM 21 HA GLU A 79 15.988 1.185 0.404 1.00 1.53 H ATOM 22 HB2 GLU A 79 18.027 -0.971 1.046 1.00 2.76 H ATOM 23 HB3 GLU A 79 17.109 -0.887 -0.458 1.00 3.00 H ATOM 24 HG2 GLU A 79 18.564 1.575 0.387 1.00 3.55 H ATOM 25 HG3 GLU A 79 19.535 0.232 -0.217 1.00 3.71 H 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 34 H ASP A 80 13.889 0.559 0.756 1.00 0.76 H ATOM 35 HA ASP A 80 13.400 -2.121 1.984 1.00 0.74 H ATOM 36 HB2 ASP A 80 12.122 0.511 2.807 1.00 0.76 H ATOM 37 HB3 ASP A 80 11.662 -1.073 3.430 1.00 0.77 H 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 46 H ILE A 81 10.582 -1.915 2.000 1.00 0.59 H ATOM 47 HA ILE A 81 9.975 -1.422 -0.885 1.00 0.49 H ATOM 48 HB ILE A 81 8.457 -3.336 -0.730 1.00 1.47 H ATOM 49 HG12 ILE A 81 8.291 -2.940 1.898 1.00 1.38 H ATOM 50 HG13 ILE A 81 8.030 -4.527 1.192 1.00 0.33 H ATOM 51 HG21 ILE A 81 11.298 -3.909 0.145 1.00 1.99 H ATOM 52 HG22 ILE A 81 10.202 -5.084 -0.582 1.00 2.11 H ATOM 53 HG23 ILE A 81 10.738 -3.684 -1.512 1.00 2.17 H ATOM 54 HD11 ILE A 81 10.846 -3.880 1.922 1.00 2.22 H ATOM 55 HD12 ILE A 81 9.725 -4.056 3.272 1.00 2.18 H ATOM 56 HD13 ILE A 81 9.947 -5.382 2.132 1.00 2.16 H 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 65 H ILE A 82 9.536 0.766 0.654 1.00 0.23 H ATOM 66 HA ILE A 82 6.713 0.617 1.605 1.00 0.30 H ATOM 67 HB ILE A 82 8.770 2.830 1.825 1.00 0.30 H ATOM 68 HG12 ILE A 82 7.876 0.833 3.919 1.00 0.77 H ATOM 69 HG13 ILE A 82 9.379 0.696 3.005 1.00 0.64 H ATOM 70 HG21 ILE A 82 6.216 3.322 2.001 1.00 1.06 H ATOM 71 HG22 ILE A 82 6.320 2.470 3.541 1.00 1.06 H ATOM 72 HG23 ILE A 82 7.274 3.929 3.275 1.00 1.02 H ATOM 73 HD11 ILE A 82 10.072 2.926 3.858 1.00 1.29 H ATOM 74 HD12 ILE A 82 8.597 2.994 4.823 1.00 1.20 H ATOM 75 HD13 ILE A 82 9.818 1.767 5.163 1.00 1.27 H 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 83 H VAL A 83 5.081 1.616 0.529 1.00 0.31 H ATOM 84 HA VAL A 83 5.799 3.196 -1.914 1.00 0.28 H ATOM 85 HB VAL A 83 3.670 2.259 -2.816 1.00 0.37 H ATOM 86 HG11 VAL A 83 6.027 0.677 -2.048 1.00 1.06 H ATOM 87 HG12 VAL A 83 4.600 -0.299 -2.392 1.00 1.07 H ATOM 88 HG13 VAL A 83 5.222 0.814 -3.610 1.00 1.01 H ATOM 89 HG21 VAL A 83 2.629 1.964 -0.515 1.00 1.02 H ATOM 90 HG22 VAL A 83 2.424 0.593 -1.604 1.00 1.08 H ATOM 91 HG23 VAL A 83 3.638 0.530 -0.326 1.00 1.02 H 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 99 H VAL A 84 3.968 4.748 -2.526 1.00 0.28 H ATOM 100 HA VAL A 84 2.606 5.822 -0.088 1.00 0.25 H ATOM 101 HB VAL A 84 4.694 7.070 -0.908 1.00 0.32 H ATOM 102 HG11 VAL A 84 3.827 6.754 -3.394 1.00 1.09 H ATOM 103 HG12 VAL A 84 2.952 8.247 -3.046 1.00 1.04 H ATOM 104 HG13 VAL A 84 4.714 8.207 -2.935 1.00 1.08 H ATOM 105 HG21 VAL A 84 1.995 8.431 -0.789 1.00 1.10 H ATOM 106 HG22 VAL A 84 3.146 8.207 0.526 1.00 1.09 H ATOM 107 HG23 VAL A 84 3.522 9.315 -0.793 1.00 1.00 H 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 113 H ALA A 85 0.423 5.813 -0.373 1.00 0.22 H ATOM 114 HA ALA A 85 -0.855 5.083 -2.833 1.00 0.22 H ATOM 115 HB1 ALA A 85 -1.778 6.443 -0.296 1.00 1.07 H ATOM 116 HB2 ALA A 85 -2.889 5.944 -1.563 1.00 0.98 H ATOM 117 HB3 ALA A 85 -1.935 4.737 -0.705 1.00 1.01 H 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 126 H LEU A 86 -0.883 6.349 -4.626 1.00 0.31 H ATOM 127 HA LEU A 86 -0.631 9.292 -4.400 1.00 0.31 H ATOM 128 HB2 LEU A 86 -0.532 7.258 -6.636 1.00 0.39 H ATOM 129 HB3 LEU A 86 -0.441 8.994 -6.931 1.00 0.44 H ATOM 130 HG LEU A 86 1.420 7.485 -5.073 1.00 0.46 H ATOM 131 HD11 LEU A 86 1.678 8.324 -7.966 1.00 1.09 H ATOM 132 HD12 LEU A 86 3.089 8.032 -6.950 1.00 1.07 H ATOM 133 HD13 LEU A 86 1.946 6.727 -7.268 1.00 1.16 H ATOM 134 HD21 LEU A 86 1.034 10.332 -5.869 1.00 1.06 H ATOM 135 HD22 LEU A 86 1.600 9.660 -4.340 1.00 1.22 H ATOM 136 HD23 LEU A 86 2.698 9.766 -5.716 1.00 1.28 H 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 149 H TYR A 87 -3.231 7.261 -4.233 1.00 0.27 H ATOM 150 HA TYR A 87 -5.070 9.333 -5.271 1.00 0.33 H ATOM 151 HB2 TYR A 87 -5.148 6.452 -6.264 1.00 0.36 H ATOM 152 HB3 TYR A 87 -6.224 7.756 -6.762 1.00 0.40 H ATOM 153 HD1 TYR A 87 -5.266 9.726 -8.032 1.00 0.59 H ATOM 154 HD2 TYR A 87 -3.017 6.153 -7.252 1.00 0.49 H ATOM 155 HE1 TYR A 87 -3.647 10.357 -9.802 1.00 0.78 H ATOM 156 HE2 TYR A 87 -1.403 6.778 -9.022 1.00 0.67 H ATOM 157 HH TYR A 87 -1.301 9.888 -10.398 1.00 1.02 H 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 166 H ASP A 88 -7.171 9.095 -4.338 1.00 0.32 H ATOM 167 HA ASP A 88 -7.227 7.811 -1.753 1.00 0.25 H ATOM 168 HB2 ASP A 88 -9.196 9.267 -3.507 1.00 0.34 H ATOM 169 HB3 ASP A 88 -9.701 8.576 -1.967 1.00 0.33 H 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 182 H TYR A 89 -8.244 5.877 -1.140 1.00 0.27 H ATOM 183 HA TYR A 89 -9.934 4.387 -3.068 1.00 0.29 H ATOM 184 HB2 TYR A 89 -7.412 4.011 -3.502 1.00 0.27 H ATOM 185 HB3 TYR A 89 -7.402 3.137 -1.969 1.00 0.28 H ATOM 186 HD1 TYR A 89 -9.137 3.293 -5.280 1.00 0.40 H ATOM 187 HD2 TYR A 89 -8.101 0.889 -1.872 1.00 0.36 H ATOM 188 HE1 TYR A 89 -10.052 1.286 -6.417 1.00 0.49 H ATOM 189 HE2 TYR A 89 -9.015 -1.118 -3.008 1.00 0.46 H ATOM 190 HH TYR A 89 -10.936 -1.386 -4.996 1.00 1.03 H 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 200 H GLU A 90 -10.866 2.406 -1.999 1.00 0.44 H ATOM 201 HA GLU A 90 -10.759 2.537 0.999 1.00 0.35 H ATOM 202 HB2 GLU A 90 -12.762 3.581 -0.421 1.00 1.07 H ATOM 203 HB3 GLU A 90 -13.303 1.903 -0.439 1.00 1.01 H ATOM 204 HG2 GLU A 90 -14.274 2.547 1.544 1.00 1.85 H ATOM 205 HG3 GLU A 90 -12.686 2.099 2.167 1.00 1.81 H 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 211 H ALA A 91 -11.029 0.540 2.059 1.00 0.54 H ATOM 212 HA ALA A 91 -10.082 -1.836 0.842 1.00 0.64 H ATOM 213 HB1 ALA A 91 -11.188 -0.928 3.370 1.00 1.13 H ATOM 214 HB2 ALA A 91 -11.735 -2.561 3.012 1.00 1.12 H ATOM 215 HB3 ALA A 91 -10.011 -2.203 3.072 1.00 1.47 H 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 224 H ILE A 92 -11.181 -3.757 0.151 1.00 0.78 H ATOM 225 HA ILE A 92 -14.139 -3.595 -0.271 1.00 0.93 H ATOM 226 HB ILE A 92 -11.994 -4.181 -2.349 1.00 1.53 H ATOM 227 HG12 ILE A 92 -12.312 -1.766 -1.818 1.00 2.24 H ATOM 228 HG13 ILE A 92 -12.809 -2.158 -3.459 1.00 2.05 H ATOM 229 HG21 ILE A 92 -14.015 -5.603 -2.624 1.00 2.67 H ATOM 230 HG22 ILE A 92 -15.012 -4.148 -2.666 1.00 2.72 H ATOM 231 HG23 ILE A 92 -13.833 -4.446 -3.943 1.00 2.56 H ATOM 232 HD11 ILE A 92 -14.689 -1.898 -1.088 1.00 1.96 H ATOM 233 HD12 ILE A 92 -14.458 -0.684 -2.343 1.00 2.31 H ATOM 234 HD13 ILE A 92 -15.162 -2.248 -2.749 1.00 2.47 H 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 245 H HIS A 93 -11.317 -5.735 -0.951 1.00 1.06 H ATOM 246 HA HIS A 93 -12.895 -8.173 -0.551 1.00 2.04 H ATOM 247 HB2 HIS A 93 -10.665 -7.474 -1.940 1.00 2.58 H ATOM 248 HB3 HIS A 93 -9.921 -8.225 -0.529 1.00 2.52 H ATOM 249 HD1 HIS A 93 -12.622 -9.013 -3.106 1.00 3.95 H ATOM 250 HD2 HIS A 93 -9.909 -10.994 -0.636 1.00 3.96 H ATOM 251 HE1 HIS A 93 -12.815 -11.477 -3.660 1.00 5.03 H 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 262 H HIS A 94 -11.270 -9.860 0.860 1.00 1.45 H ATOM 263 HA HIS A 94 -11.876 -9.283 3.614 1.00 0.82 H ATOM 264 HB2 HIS A 94 -10.418 -11.356 2.028 1.00 1.63 H ATOM 265 HB3 HIS A 94 -10.129 -11.315 3.768 1.00 1.61 H ATOM 266 HD1 HIS A 94 -13.290 -10.895 1.656 1.00 2.65 H ATOM 267 HD2 HIS A 94 -11.910 -13.057 4.942 1.00 2.82 H ATOM 268 HE1 HIS A 94 -15.245 -12.283 2.472 1.00 3.25 H 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 278 H GLU A 95 -8.566 -10.063 2.500 1.00 1.04 H ATOM 279 HA GLU A 95 -7.389 -8.341 4.559 1.00 0.52 H ATOM 280 HB2 GLU A 95 -6.644 -10.632 3.384 1.00 0.53 H ATOM 281 HB3 GLU A 95 -5.839 -9.517 2.277 1.00 0.60 H ATOM 282 HG2 GLU A 95 -4.301 -10.146 4.076 1.00 0.69 H ATOM 283 HG3 GLU A 95 -4.711 -8.438 4.231 1.00 0.66 H 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 292 H ASP A 96 -8.848 -6.580 3.196 1.00 0.78 H ATOM 293 HA ASP A 96 -7.247 -5.369 1.005 1.00 0.39 H ATOM 294 HB2 ASP A 96 -9.302 -4.000 0.742 1.00 0.93 H ATOM 295 HB3 ASP A 96 -9.648 -5.728 0.713 1.00 1.02 H 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 304 H LEU A 97 -7.318 -2.800 1.163 1.00 0.59 H ATOM 305 HA LEU A 97 -7.006 -1.796 3.933 1.00 0.46 H ATOM 306 HB2 LEU A 97 -4.856 -2.866 3.288 1.00 0.65 H ATOM 307 HB3 LEU A 97 -4.770 -1.802 1.880 1.00 0.59 H ATOM 308 HG LEU A 97 -4.929 0.151 3.513 1.00 1.31 H ATOM 309 HD11 LEU A 97 -5.602 -1.732 5.341 1.00 1.49 H ATOM 310 HD12 LEU A 97 -3.868 -1.626 5.643 1.00 1.65 H ATOM 311 HD13 LEU A 97 -4.876 -0.186 5.777 1.00 1.64 H ATOM 312 HD21 LEU A 97 -2.775 -1.178 2.510 1.00 1.81 H ATOM 313 HD22 LEU A 97 -2.644 0.273 3.503 1.00 1.70 H ATOM 314 HD23 LEU A 97 -2.455 -1.318 4.239 1.00 1.65 H 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 321 H SER A 98 -7.773 0.280 3.997 1.00 0.36 H ATOM 322 HA SER A 98 -8.292 1.699 1.446 1.00 0.34 H ATOM 323 HB2 SER A 98 -9.041 2.563 4.235 1.00 0.48 H ATOM 324 HB3 SER A 98 -9.868 2.927 2.726 1.00 0.53 H ATOM 325 HG SER A 98 -10.630 1.133 4.266 1.00 0.71 H 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 337 H PHE A 99 -7.069 3.422 0.810 1.00 0.53 H ATOM 338 HA PHE A 99 -5.371 4.804 2.858 1.00 0.29 H ATOM 339 HB2 PHE A 99 -3.606 4.901 1.012 1.00 0.27 H ATOM 340 HB3 PHE A 99 -3.880 3.321 1.730 1.00 0.30 H ATOM 341 HD1 PHE A 99 -4.758 5.455 -1.209 1.00 0.22 H ATOM 342 HD2 PHE A 99 -4.555 1.478 0.402 1.00 0.32 H ATOM 343 HE1 PHE A 99 -5.206 4.517 -3.465 1.00 0.24 H ATOM 344 HE2 PHE A 99 -5.016 0.544 -1.849 1.00 0.33 H ATOM 345 HZ PHE A 99 -5.339 2.064 -3.781 1.00 0.29 H 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 355 H GLN A 100 -4.322 6.817 1.523 1.00 0.25 H ATOM 356 HA GLN A 100 -6.624 8.190 0.189 1.00 0.28 H ATOM 357 HB2 GLN A 100 -5.288 8.723 2.612 1.00 0.35 H ATOM 358 HB3 GLN A 100 -4.683 9.936 1.485 1.00 0.42 H ATOM 359 HG2 GLN A 100 -6.774 10.883 1.165 1.00 0.75 H ATOM 360 HG3 GLN A 100 -7.622 9.382 1.540 1.00 0.68 H ATOM 361 HE21 GLN A 100 -8.917 10.046 3.310 1.00 2.01 H ATOM 362 HE22 GLN A 100 -8.287 10.695 4.747 1.00 1.44 H 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 372 H LYS A 101 -5.722 10.261 -0.925 1.00 0.30 H ATOM 373 HA LYS A 101 -4.226 9.494 -3.183 1.00 0.31 H ATOM 374 HB2 LYS A 101 -5.885 11.349 -2.859 1.00 0.37 H ATOM 375 HB3 LYS A 101 -4.578 12.266 -2.138 1.00 0.36 H ATOM 376 HG2 LYS A 101 -3.455 12.526 -4.104 1.00 0.42 H ATOM 377 HG3 LYS A 101 -4.011 10.980 -4.739 1.00 0.38 H ATOM 378 HD2 LYS A 101 -5.871 13.322 -4.339 1.00 0.44 H ATOM 379 HD3 LYS A 101 -5.009 13.050 -5.855 1.00 0.46 H ATOM 380 HE2 LYS A 101 -6.060 10.847 -6.102 1.00 0.45 H ATOM 381 HE3 LYS A 101 -6.869 11.032 -4.532 1.00 0.40 H ATOM 382 HZ1 LYS A 101 -7.932 13.041 -5.356 1.00 1.20 H ATOM 383 HZ2 LYS A 101 -7.170 12.860 -6.860 1.00 1.01 H ATOM 384 HZ3 LYS A 101 -8.322 11.720 -6.350 1.00 1.12 H 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 389 H GLY A 102 -3.040 10.650 -0.198 1.00 0.36 H ATOM 390 HA2 GLY A 102 -0.276 10.592 -1.305 1.00 0.32 H ATOM 391 HA3 GLY A 102 -0.788 11.995 -0.358 1.00 0.35 H 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 400 H ASP A 103 -1.576 8.580 0.168 1.00 0.23 H ATOM 401 HA ASP A 103 -0.652 8.864 2.996 1.00 0.26 H ATOM 402 HB2 ASP A 103 -2.391 7.040 1.419 1.00 0.21 H ATOM 403 HB3 ASP A 103 -1.634 6.372 2.864 1.00 0.21 H 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 413 H GLN A 104 0.541 6.898 3.944 1.00 0.23 H ATOM 414 HA GLN A 104 2.602 5.901 2.023 1.00 0.23 H ATOM 415 HB2 GLN A 104 2.728 7.190 4.712 1.00 0.28 H ATOM 416 HB3 GLN A 104 3.916 5.933 4.363 1.00 0.28 H ATOM 417 HG2 GLN A 104 4.051 7.340 2.057 1.00 0.29 H ATOM 418 HG3 GLN A 104 3.617 8.639 3.172 1.00 0.29 H ATOM 419 HE21 GLN A 104 5.729 5.728 3.535 1.00 0.43 H ATOM 420 HE22 GLN A 104 7.081 6.597 4.080 1.00 0.50 H 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 429 H MET A 105 2.851 3.723 2.006 1.00 0.28 H ATOM 430 HA MET A 105 1.871 2.085 4.318 1.00 0.21 H ATOM 431 HB2 MET A 105 1.269 1.694 1.364 1.00 0.26 H ATOM 432 HB3 MET A 105 0.768 0.607 2.659 1.00 0.32 H ATOM 433 HG2 MET A 105 -0.535 2.433 3.689 1.00 0.72 H ATOM 434 HG3 MET A 105 -0.040 3.518 2.392 1.00 0.75 H ATOM 435 HE1 MET A 105 -0.347 3.283 0.151 1.00 1.00 H ATOM 436 HE2 MET A 105 -0.377 1.612 -0.406 1.00 1.12 H ATOM 437 HE3 MET A 105 -1.790 2.638 -0.645 1.00 1.13 H 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 445 H VAL A 106 3.035 0.130 4.560 1.00 0.20 H ATOM 446 HA VAL A 106 5.611 0.020 3.065 1.00 0.27 H ATOM 447 HB VAL A 106 4.634 -1.550 5.471 1.00 0.87 H ATOM 448 HG11 VAL A 106 6.578 -2.452 4.147 1.00 1.55 H ATOM 449 HG12 VAL A 106 7.457 -0.985 4.570 1.00 1.54 H ATOM 450 HG13 VAL A 106 6.935 -2.095 5.837 1.00 1.49 H ATOM 451 HG21 VAL A 106 5.801 1.185 5.202 1.00 1.52 H ATOM 452 HG22 VAL A 106 4.676 0.565 6.410 1.00 1.35 H ATOM 453 HG23 VAL A 106 6.395 0.189 6.531 1.00 1.46 H 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 461 H VAL A 107 6.225 -2.034 2.073 1.00 0.23 H ATOM 462 HA VAL A 107 3.853 -3.615 1.188 1.00 0.22 H ATOM 463 HB VAL A 107 6.696 -3.475 0.136 1.00 0.35 H ATOM 464 HG11 VAL A 107 5.503 -5.654 -0.261 1.00 1.08 H ATOM 465 HG12 VAL A 107 4.257 -4.745 -1.119 1.00 1.04 H ATOM 466 HG13 VAL A 107 5.909 -4.776 -1.735 1.00 1.15 H ATOM 467 HG21 VAL A 107 5.226 -1.417 -0.114 1.00 1.05 H ATOM 468 HG22 VAL A 107 5.786 -2.122 -1.630 1.00 1.11 H ATOM 469 HG23 VAL A 107 4.137 -2.415 -1.079 1.00 1.01 H 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 478 H LEU A 108 3.664 -5.736 1.669 1.00 0.23 H ATOM 479 HA LEU A 108 5.466 -6.912 3.703 1.00 0.25 H ATOM 480 HB2 LEU A 108 2.719 -7.463 2.546 1.00 0.28 H ATOM 481 HB3 LEU A 108 3.509 -8.633 3.591 1.00 0.32 H ATOM 482 HG LEU A 108 3.836 -6.452 5.121 1.00 0.28 H ATOM 483 HD11 LEU A 108 1.638 -5.841 3.208 1.00 1.04 H ATOM 484 HD12 LEU A 108 1.401 -5.392 4.895 1.00 1.00 H ATOM 485 HD13 LEU A 108 2.776 -4.751 3.995 1.00 0.96 H ATOM 486 HD21 LEU A 108 2.508 -8.721 5.427 1.00 1.02 H ATOM 487 HD22 LEU A 108 2.161 -7.352 6.483 1.00 1.17 H ATOM 488 HD23 LEU A 108 1.098 -7.704 5.118 1.00 1.03 H 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 498 H GLU A 109 4.334 -7.366 0.392 1.00 0.28 H ATOM 499 HA GLU A 109 6.585 -9.187 -0.186 1.00 0.29 H ATOM 500 HB2 GLU A 109 3.711 -9.968 0.055 1.00 0.38 H ATOM 501 HB3 GLU A 109 4.659 -10.727 -1.224 1.00 0.41 H ATOM 502 HG2 GLU A 109 6.405 -10.972 0.820 1.00 0.43 H ATOM 503 HG3 GLU A 109 4.892 -11.007 1.726 1.00 0.39 H 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 513 H GLU A 110 6.465 -9.803 -2.620 1.00 0.47 H ATOM 514 HA GLU A 110 5.237 -7.560 -4.212 1.00 0.37 H ATOM 515 HB2 GLU A 110 7.950 -8.905 -4.306 1.00 0.71 H ATOM 516 HB3 GLU A 110 7.338 -7.949 -5.655 1.00 0.75 H ATOM 517 HG2 GLU A 110 7.138 -5.981 -4.241 1.00 1.37 H ATOM 518 HG3 GLU A 110 7.581 -6.921 -2.812 1.00 1.52 H 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 525 H SER A 111 3.663 -8.463 -5.499 1.00 0.70 H ATOM 526 HA SER A 111 4.043 -11.267 -6.487 1.00 0.61 H ATOM 527 HB2 SER A 111 2.074 -11.006 -5.144 1.00 0.80 H ATOM 528 HB3 SER A 111 1.639 -9.504 -5.955 1.00 0.81 H ATOM 529 HG SER A 111 0.450 -11.346 -6.703 1.00 1.25 H 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 534 H GLY A 112 2.087 -8.524 -7.693 1.00 1.03 H ATOM 535 HA2 GLY A 112 3.633 -7.935 -9.999 1.00 0.84 H ATOM 536 HA3 GLY A 112 2.481 -9.192 -10.441 1.00 0.85 H 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 546 H GLU A 113 0.249 -8.685 -10.482 1.00 1.03 H ATOM 547 HA GLU A 113 -0.448 -6.007 -11.226 1.00 0.66 H ATOM 548 HB2 GLU A 113 -2.136 -8.367 -10.334 1.00 1.11 H ATOM 549 HB3 GLU A 113 -2.755 -6.949 -11.181 1.00 1.40 H ATOM 550 HG2 GLU A 113 -0.489 -8.581 -12.325 1.00 1.94 H ATOM 551 HG3 GLU A 113 -2.171 -9.030 -12.605 1.00 1.94 H 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 566 H TRP A 114 -1.142 -7.822 -8.211 1.00 0.57 H ATOM 567 HA TRP A 114 -1.685 -5.194 -6.862 1.00 0.39 H ATOM 568 HB2 TRP A 114 -3.087 -7.872 -6.737 1.00 0.49 H ATOM 569 HB3 TRP A 114 -3.305 -6.657 -5.482 1.00 0.54 H ATOM 570 HD1 TRP A 114 -3.581 -6.869 -9.349 1.00 0.70 H ATOM 571 HE1 TRP A 114 -5.564 -5.400 -10.088 1.00 0.82 H ATOM 572 HE3 TRP A 114 -5.009 -4.964 -4.827 1.00 0.71 H ATOM 573 HZ2 TRP A 114 -7.507 -3.656 -8.919 1.00 0.86 H ATOM 574 HZ3 TRP A 114 -6.933 -3.410 -4.668 1.00 0.99 H ATOM 575 HH2 TRP A 114 -8.183 -2.753 -6.708 1.00 0.98 H 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 590 H TRP A 115 -0.626 -4.946 -4.869 1.00 0.35 H ATOM 591 HA TRP A 115 1.021 -7.281 -3.911 1.00 0.28 H ATOM 592 HB2 TRP A 115 1.525 -4.289 -3.677 1.00 0.36 H ATOM 593 HB3 TRP A 115 2.626 -5.568 -3.170 1.00 0.36 H ATOM 594 HD1 TRP A 115 1.955 -7.334 -5.932 1.00 0.37 H ATOM 595 HE1 TRP A 115 3.193 -6.612 -8.076 1.00 0.38 H ATOM 596 HE3 TRP A 115 3.281 -2.569 -4.634 1.00 0.43 H ATOM 597 HZ2 TRP A 115 4.562 -4.325 -9.106 1.00 0.58 H ATOM 598 HZ3 TRP A 115 4.551 -1.145 -6.217 1.00 0.68 H ATOM 599 HH2 TRP A 115 5.194 -2.017 -8.449 1.00 0.76 H 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 609 H LYS A 116 1.390 -7.323 -1.553 1.00 0.23 H ATOM 610 HA LYS A 116 -1.005 -6.396 -0.026 1.00 0.22 H ATOM 611 HB2 LYS A 116 0.356 -8.789 -0.232 1.00 0.36 H ATOM 612 HB3 LYS A 116 1.018 -8.120 1.258 1.00 0.31 H ATOM 613 HG2 LYS A 116 -1.314 -7.747 2.079 1.00 0.54 H ATOM 614 HG3 LYS A 116 -1.915 -8.544 0.624 1.00 0.58 H ATOM 615 HD2 LYS A 116 -1.020 -10.630 1.244 1.00 0.97 H ATOM 616 HD3 LYS A 116 0.109 -9.906 2.390 1.00 1.02 H ATOM 617 HE2 LYS A 116 -1.496 -9.693 4.046 1.00 1.09 H ATOM 618 HE3 LYS A 116 -2.820 -9.501 2.879 1.00 1.20 H ATOM 619 HZ1 LYS A 116 -1.285 -12.005 3.339 1.00 1.86 H ATOM 620 HZ2 LYS A 116 -2.854 -11.706 3.909 1.00 1.80 H ATOM 621 HZ3 LYS A 116 -2.565 -11.808 2.238 1.00 1.93 H 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 627 H ALA A 117 -0.693 -4.469 1.169 1.00 0.20 H ATOM 628 HA ALA A 117 2.053 -3.994 2.296 1.00 0.18 H ATOM 629 HB1 ALA A 117 0.180 -2.265 0.722 1.00 1.02 H ATOM 630 HB2 ALA A 117 1.281 -1.507 1.872 1.00 1.05 H ATOM 631 HB3 ALA A 117 1.923 -2.474 0.545 1.00 1.00 H 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 643 H ARG A 118 2.078 -2.506 4.190 1.00 0.17 H ATOM 644 HA ARG A 118 -0.390 -2.726 5.845 1.00 0.18 H ATOM 645 HB2 ARG A 118 1.501 -4.053 6.621 1.00 0.22 H ATOM 646 HB3 ARG A 118 2.561 -2.645 6.525 1.00 0.21 H ATOM 647 HG2 ARG A 118 0.474 -1.765 8.148 1.00 0.22 H ATOM 648 HG3 ARG A 118 0.700 -3.439 8.640 1.00 0.28 H ATOM 649 HD2 ARG A 118 3.147 -2.974 8.911 1.00 0.75 H ATOM 650 HD3 ARG A 118 2.832 -1.274 8.555 1.00 0.60 H ATOM 651 HE ARG A 118 1.003 -2.035 10.569 1.00 1.30 H ATOM 652 HH11 ARG A 118 4.475 -1.841 10.185 1.00 1.28 H ATOM 653 HH12 ARG A 118 4.750 -1.602 11.875 1.00 1.43 H ATOM 654 HH21 ARG A 118 1.412 -1.727 12.750 1.00 1.78 H ATOM 655 HH22 ARG A 118 3.037 -1.536 13.311 1.00 1.84 H 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 662 H SER A 119 -1.399 -0.777 6.077 1.00 0.18 H ATOM 663 HA SER A 119 -0.101 1.769 5.505 1.00 0.21 H ATOM 664 HB2 SER A 119 -2.620 0.886 5.396 1.00 0.29 H ATOM 665 HB3 SER A 119 -2.661 1.514 7.041 1.00 0.24 H ATOM 666 HG SER A 119 -3.223 3.147 5.606 1.00 0.88 H 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 675 H LEU A 120 1.275 2.720 6.945 1.00 0.31 H ATOM 676 HA LEU A 120 1.522 1.925 9.715 1.00 0.36 H ATOM 677 HB2 LEU A 120 2.536 4.274 8.084 1.00 0.45 H ATOM 678 HB3 LEU A 120 3.048 3.953 9.741 1.00 0.45 H ATOM 679 HG LEU A 120 3.203 1.721 7.753 1.00 0.42 H ATOM 680 HD11 LEU A 120 5.172 4.020 7.965 1.00 1.00 H ATOM 681 HD12 LEU A 120 5.495 2.500 7.131 1.00 1.15 H ATOM 682 HD13 LEU A 120 4.228 3.576 6.543 1.00 1.24 H ATOM 683 HD21 LEU A 120 4.928 2.629 10.082 1.00 1.08 H ATOM 684 HD22 LEU A 120 3.718 1.347 10.138 1.00 1.16 H ATOM 685 HD23 LEU A 120 5.166 1.150 9.151 1.00 1.08 H 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 691 H ALA A 121 -0.382 4.360 8.055 1.00 0.31 H ATOM 692 HA ALA A 121 -0.893 6.200 10.154 1.00 0.41 H ATOM 693 HB1 ALA A 121 -2.318 5.215 7.707 1.00 1.12 H ATOM 694 HB2 ALA A 121 -3.190 6.274 8.815 1.00 1.05 H ATOM 695 HB3 ALA A 121 -1.695 6.827 8.060 1.00 1.04 H 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 703 H THR A 122 -2.040 2.925 9.683 1.00 0.31 H ATOM 704 HA THR A 122 -3.533 3.122 12.258 1.00 0.38 H ATOM 705 HB THR A 122 -5.331 1.734 11.115 1.00 0.35 H ATOM 706 HG1 THR A 122 -5.236 1.495 8.972 1.00 0.87 H ATOM 707 HG21 THR A 122 -5.035 4.434 11.296 1.00 1.04 H ATOM 708 HG22 THR A 122 -5.212 4.242 9.551 1.00 1.07 H ATOM 709 HG23 THR A 122 -6.469 3.647 10.635 1.00 1.06 H 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 721 H ARG A 123 -0.981 1.715 10.870 1.00 0.32 H ATOM 722 HA ARG A 123 0.163 -0.349 11.129 1.00 0.34 H ATOM 723 HB2 ARG A 123 -1.737 -0.274 13.499 1.00 0.37 H ATOM 724 HB3 ARG A 123 -0.439 -1.452 13.340 1.00 0.40 H ATOM 725 HG2 ARG A 123 0.915 0.870 12.850 1.00 1.06 H ATOM 726 HG3 ARG A 123 -0.300 1.430 13.998 1.00 1.02 H ATOM 727 HD2 ARG A 123 0.633 -1.020 15.041 1.00 1.89 H ATOM 728 HD3 ARG A 123 2.080 -0.159 14.501 1.00 1.88 H ATOM 729 HE ARG A 123 0.422 0.510 16.774 1.00 1.88 H ATOM 730 HH11 ARG A 123 2.096 2.074 14.143 1.00 2.57 H ATOM 731 HH12 ARG A 123 2.068 3.620 14.913 1.00 3.07 H ATOM 732 HH21 ARG A 123 0.427 2.515 17.748 1.00 2.66 H ATOM 733 HH22 ARG A 123 1.142 3.869 16.938 1.00 3.03 H 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 743 H LYS A 124 -2.408 -0.312 9.530 1.00 0.25 H ATOM 744 HA LYS A 124 -3.349 -3.126 9.978 1.00 0.29 H ATOM 745 HB2 LYS A 124 -4.478 -0.852 8.314 1.00 0.27 H ATOM 746 HB3 LYS A 124 -5.259 -2.396 8.609 1.00 0.28 H ATOM 747 HG2 LYS A 124 -4.819 -1.681 11.160 1.00 0.51 H ATOM 748 HG3 LYS A 124 -4.922 -0.076 10.439 1.00 0.44 H ATOM 749 HD2 LYS A 124 -7.136 -0.358 9.787 1.00 1.19 H ATOM 750 HD3 LYS A 124 -7.000 -2.116 9.727 1.00 1.14 H ATOM 751 HE2 LYS A 124 -7.028 -2.283 12.134 1.00 1.80 H ATOM 752 HE3 LYS A 124 -6.876 -0.524 12.310 1.00 1.82 H ATOM 753 HZ1 LYS A 124 -9.105 -1.885 10.892 1.00 1.74 H ATOM 754 HZ2 LYS A 124 -9.200 -1.310 12.485 1.00 1.84 H ATOM 755 HZ3 LYS A 124 -8.966 -0.220 11.202 1.00 1.79 H 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 765 H GLU A 125 -3.860 -4.235 7.735 1.00 0.25 H ATOM 766 HA GLU A 125 -2.081 -3.371 5.556 1.00 0.22 H ATOM 767 HB2 GLU A 125 -0.781 -5.483 5.626 1.00 0.41 H ATOM 768 HB3 GLU A 125 -0.574 -4.524 7.089 1.00 0.33 H ATOM 769 HG2 GLU A 125 -2.831 -6.421 7.200 1.00 0.63 H ATOM 770 HG3 GLU A 125 -1.248 -7.181 7.052 1.00 0.48 H 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 775 H GLY A 126 -2.578 -4.234 3.586 1.00 0.28 H ATOM 776 HA2 GLY A 126 -4.258 -6.559 3.240 1.00 0.33 H ATOM 777 HA3 GLY A 126 -5.161 -5.065 2.994 1.00 0.33 H 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 790 H TYR A 127 -5.406 -5.190 0.766 1.00 0.40 H ATOM 791 HA TYR A 127 -3.064 -5.659 -0.986 1.00 0.28 H ATOM 792 HB2 TYR A 127 -6.010 -5.152 -1.534 1.00 0.35 H ATOM 793 HB3 TYR A 127 -4.834 -5.684 -2.721 1.00 0.43 H ATOM 794 HD1 TYR A 127 -3.484 -7.885 -2.062 1.00 0.56 H ATOM 795 HD2 TYR A 127 -7.281 -6.730 -0.426 1.00 0.34 H ATOM 796 HE1 TYR A 127 -3.919 -10.238 -1.403 1.00 0.64 H ATOM 797 HE2 TYR A 127 -7.716 -9.071 0.240 1.00 0.46 H ATOM 798 HH TYR A 127 -5.767 -11.687 -0.872 1.00 1.02 H 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 807 H ILE A 128 -2.572 -4.113 -2.713 1.00 0.34 H ATOM 808 HA ILE A 128 -3.688 -1.384 -2.480 1.00 0.40 H ATOM 809 HB ILE A 128 -1.388 -0.431 -2.284 1.00 0.37 H ATOM 810 HG12 ILE A 128 0.115 -2.543 -1.257 1.00 0.38 H ATOM 811 HG13 ILE A 128 -0.703 -3.261 -2.643 1.00 0.33 H ATOM 812 HG21 ILE A 128 -2.953 -1.102 -0.310 1.00 1.06 H ATOM 813 HG22 ILE A 128 -1.762 -2.373 -0.019 1.00 1.16 H ATOM 814 HG23 ILE A 128 -1.276 -0.679 0.039 1.00 1.11 H ATOM 815 HD11 ILE A 128 0.065 -0.889 -3.720 1.00 1.17 H ATOM 816 HD12 ILE A 128 1.371 -1.150 -2.564 1.00 1.06 H ATOM 817 HD13 ILE A 128 1.038 -2.357 -3.806 1.00 1.12 H 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 825 HA PRO A 129 -3.333 -2.327 -6.896 1.00 0.51 H ATOM 826 HB2 PRO A 129 -4.055 0.563 -7.078 1.00 0.60 H ATOM 827 HB3 PRO A 129 -4.780 -0.831 -7.906 1.00 0.62 H ATOM 828 HG2 PRO A 129 -6.037 0.337 -5.886 1.00 0.75 H ATOM 829 HG3 PRO A 129 -6.047 -1.425 -6.075 1.00 0.70 H ATOM 830 HD2 PRO A 129 -4.487 0.251 -4.162 1.00 0.62 H ATOM 831 HD3 PRO A 129 -5.241 -1.343 -3.923 1.00 0.53 H 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 838 H SER A 130 -1.221 -2.513 -7.477 1.00 0.56 H ATOM 839 HA SER A 130 0.894 -0.687 -6.886 1.00 0.52 H ATOM 840 HB2 SER A 130 0.700 -2.642 -9.191 1.00 0.88 H ATOM 841 HB3 SER A 130 2.163 -2.082 -8.390 1.00 0.80 H ATOM 842 HG SER A 130 0.768 -4.179 -7.775 1.00 1.11 H 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 851 H ASN A 131 -1.331 -0.857 -9.645 1.00 0.55 H ATOM 852 HA ASN A 131 0.167 0.905 -11.379 1.00 0.64 H ATOM 853 HB2 ASN A 131 -1.956 0.904 -12.661 1.00 0.70 H ATOM 854 HB3 ASN A 131 -1.511 -0.723 -12.141 1.00 0.76 H ATOM 855 HD21 ASN A 131 -4.162 -0.436 -12.708 1.00 1.69 H ATOM 856 HD22 ASN A 131 -5.094 -0.341 -11.292 1.00 1.04 H 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 869 H TYR A 132 -1.703 1.581 -8.565 1.00 0.29 H ATOM 870 HA TYR A 132 -1.905 4.475 -9.377 1.00 0.48 H ATOM 871 HB2 TYR A 132 -3.718 2.628 -7.821 1.00 0.57 H ATOM 872 HB3 TYR A 132 -3.807 4.372 -7.587 1.00 0.65 H ATOM 873 HD1 TYR A 132 -3.898 5.807 -9.816 1.00 1.34 H ATOM 874 HD2 TYR A 132 -5.003 1.668 -9.535 1.00 1.31 H ATOM 875 HE1 TYR A 132 -5.252 6.028 -11.879 1.00 1.50 H ATOM 876 HE2 TYR A 132 -6.351 1.888 -11.602 1.00 1.52 H ATOM 877 HH TYR A 132 -7.080 4.947 -13.004 1.00 1.60 H 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 885 H VAL A 133 0.459 3.448 -8.196 1.00 0.34 H ATOM 886 HA VAL A 133 0.495 4.949 -5.654 1.00 0.29 H ATOM 887 HB VAL A 133 -0.285 2.716 -5.061 1.00 0.85 H ATOM 888 HG11 VAL A 133 2.092 1.873 -6.687 1.00 1.52 H ATOM 889 HG12 VAL A 133 1.502 0.833 -5.392 1.00 1.53 H ATOM 890 HG13 VAL A 133 0.441 1.256 -6.734 1.00 1.51 H ATOM 891 HG21 VAL A 133 1.292 3.884 -3.528 1.00 1.46 H ATOM 892 HG22 VAL A 133 1.367 2.129 -3.394 1.00 1.53 H ATOM 893 HG23 VAL A 133 2.615 2.999 -4.282 1.00 1.48 H 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 899 H ALA A 134 2.767 4.958 -4.760 1.00 0.32 H ATOM 900 HA ALA A 134 4.807 4.795 -6.964 1.00 0.45 H ATOM 901 HB1 ALA A 134 3.844 6.990 -5.411 1.00 1.01 H ATOM 902 HB2 ALA A 134 5.503 6.679 -4.898 1.00 1.13 H ATOM 903 HB3 ALA A 134 5.151 7.001 -6.595 1.00 1.06 H 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 915 H ARG A 135 6.285 3.193 -6.473 1.00 0.48 H ATOM 916 HA ARG A 135 6.585 2.267 -3.699 1.00 0.44 H ATOM 917 HB2 ARG A 135 6.215 0.826 -5.745 1.00 0.82 H ATOM 918 HB3 ARG A 135 7.840 1.276 -6.267 1.00 0.73 H ATOM 919 HG2 ARG A 135 8.851 0.010 -4.673 1.00 1.33 H ATOM 920 HG3 ARG A 135 7.605 0.352 -3.476 1.00 1.37 H ATOM 921 HD2 ARG A 135 7.332 -1.966 -3.975 1.00 1.76 H ATOM 922 HD3 ARG A 135 6.072 -1.158 -4.925 1.00 1.63 H ATOM 923 HE ARG A 135 8.328 -1.150 -6.578 1.00 1.68 H ATOM 924 HH11 ARG A 135 6.425 -3.597 -4.955 1.00 2.79 H ATOM 925 HH12 ARG A 135 6.768 -4.797 -6.151 1.00 3.14 H ATOM 926 HH21 ARG A 135 8.745 -2.733 -8.098 1.00 2.04 H ATOM 927 HH22 ARG A 135 8.067 -4.316 -7.912 1.00 2.55 H 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 935 H VAL A 136 8.289 2.851 -2.442 1.00 0.43 H ATOM 936 HA VAL A 136 10.809 3.828 -3.716 1.00 0.52 H ATOM 937 HB VAL A 136 10.846 5.521 -1.882 1.00 0.79 H ATOM 938 HG11 VAL A 136 9.593 5.682 -4.254 1.00 1.41 H ATOM 939 HG12 VAL A 136 8.219 5.971 -3.186 1.00 1.35 H ATOM 940 HG13 VAL A 136 9.632 7.024 -3.110 1.00 1.22 H ATOM 941 HG21 VAL A 136 9.280 4.139 -0.398 1.00 1.37 H ATOM 942 HG22 VAL A 136 8.977 5.876 -0.450 1.00 1.40 H ATOM 943 HG23 VAL A 136 7.963 4.777 -1.385 1.00 1.26 H 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 952 H ASP A 137 12.699 3.491 -2.307 1.00 1.20 H ATOM 953 HA ASP A 137 12.329 1.336 -0.309 1.00 0.98 H ATOM 954 HB2 ASP A 137 14.645 0.724 -1.010 1.00 2.45 H ATOM 955 HB3 ASP A 137 13.539 0.746 -2.379 1.00 2.23 H 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 962 H SER A 138 11.871 3.437 1.069 1.00 3.04 H ATOM 963 HA SER A 138 14.483 4.380 2.202 1.00 3.94 H ATOM 964 HB2 SER A 138 12.960 5.936 0.687 1.00 4.53 H ATOM 965 HB3 SER A 138 12.025 6.102 2.171 1.00 4.91 H ATOM 966 HG SER A 138 14.773 6.678 1.749 1.00 5.78 H TER 967 SER A 138 MASTER 106 0 0 1 5 0 0 6 497 1 0 6 END