USER MOD reduce.3.24.130724 H: found=0, std=0, add=433, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 432 hydrogens (0 hets) HEADER PHOSPHOTRANSFERASE 22-APR-96 1NYF TITLE NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TITLE 2 TYROSINE KINASE, MINIMIZED AVERAGE (PROBMAP) STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: FYN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: SH3 DOMAIN, RESIDUES 82 - 148; COMPND 5 EC: 2.7.1.112; COMPND 6 ENGINEERED: YES; COMPND 7 MUTATION: YES; COMPND 8 OTHER_DETAILS: N-TERMINAL GS FROM EXPRESSION SYSTEM 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 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PGEX KEYWDS SH3 DOMAIN, POLYPROLINE-BINDING, PHOSPHOTRANSFERASE EXPDTA SOLUTION NMR AUTHOR C.J.MORTON,D.J.R.PUGH,I.D.CAMPBELL REVDAT 2 24-FEB-09 1NYF 1 VERSN REVDAT 1 08-NOV-96 1NYF 0 JRNL AUTH C.J.MORTON,D.J.PUGH,E.L.BROWN,J.D.KAHMANN, JRNL AUTH 2 D.A.RENZONI,I.D.CAMPBELL JRNL TITL SOLUTION STRUCTURE AND PEPTIDE BINDING OF THE SH3 JRNL TITL 2 DOMAIN FROM HUMAN FYN. JRNL REF STRUCTURE V. 4 705 1996 JRNL REFN ISSN 0969-2126 JRNL PMID 8805554 JRNL DOI 10.1016/S0969-2126(96)00076-7 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.E.NOBLE,A.MUSACCHIO,M.SARASTE,S.A.COURTNEIDGE, REMARK 1 AUTH 2 R.K.WIERENGA REMARK 1 TITL CRYSTAL STRUCTURE OF THE SH3 DOMAIN IN HUMAN FYN; REMARK 1 TITL 2 COMPARISON OF THE THREE-DIMENSIONAL STRUCTURES OF REMARK 1 TITL 3 SH3 DOMAINS IN TYROSINE KINASES AND SPECTRIN REMARK 1 REF EMBO J. V. 12 2617 1993 REMARK 1 REFN ISSN 0261-4189 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1NYF COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 THR A 82 REMARK 465 GLY A 83 REMARK 465 ASP A 142 REMARK 465 SER A 143 REMARK 465 ILE A 144 REMARK 465 GLN A 145 REMARK 465 ALA A 146 REMARK 465 GLU A 147 REMARK 465 GLU A 148 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 PHE A 103 -169.19 -165.19 REMARK 500 SER A 114 -72.58 -95.97 REMARK 500 GLU A 116 -162.58 40.39 REMARK 500 ASP A 118 -31.03 170.59 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 96 0.31 SIDE_CHAIN REMARK 500 ARG A 123 0.09 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1NYG RELATED DB: PDB DBREF 1NYF A 82 148 UNP P06241 FYN_HUMAN 81 147 SEQRES 1 A 67 THR GLY VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU SEQRES 2 A 67 ALA ARG THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU SEQRES 3 A 67 LYS PHE GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP SEQRES 4 A 67 GLU ALA ARG SER LEU THR THR GLY GLU THR GLY TYR ILE SEQRES 5 A 67 PRO SER ASN TYR VAL ALA PRO VAL ASP SER ILE GLN ALA SEQRES 6 A 67 GLU GLU HELIX 1 HA PRO A 134 TYR A 137 5 4 SHEET 1 S1 3 LYS A 108 LEU A 112 0 SHEET 2 S1 3 LEU A 86 ALA A 89 -1 N PHE A 87 O PHE A 109 SHEET 3 S1 3 VAL A 138 PRO A 140 -1 O ALA A 139 N VAL A 88 SHEET 1 S2 3 ASN A 113 SER A 114 0 SHEET 2 S2 3 TRP A 119 SER A 124 -1 N GLU A 121 O ASN A 113 SHEET 3 S2 3 THR A 130 ILE A 133 -1 O ILE A 133 N TRP A 120 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 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 111:sc= 0.321 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=-0.00044) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 GLN : amide:sc= -0.138 K(o=-0.14,f=-0.71) USER MOD Single : A 113 ASN : amide:sc= 0 X(o=0,f=-0.039) USER MOD Single : A 114 SER OG : rot 180:sc= 0.053 USER MOD Single : A 115 SER OG : rot -65:sc= 1.05 USER MOD Single : A 124 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.533 USER MOD Single : A 130 THR OG1 : rot 21:sc= 0.335 USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 84 3.808 22.012 15.659 1.00 14.13 N ATOM 2 CA VAL A 84 4.722 20.936 16.137 1.00 14.13 C ATOM 3 C VAL A 84 5.761 20.631 15.055 1.00 14.13 C ATOM 4 O VAL A 84 5.468 20.652 13.876 1.00 14.13 O ATOM 5 CB VAL A 84 3.912 19.674 16.436 1.00 14.13 C ATOM 6 CG1 VAL A 84 3.113 19.873 17.725 1.00 14.13 C ATOM 7 CG2 VAL A 84 2.949 19.402 15.278 1.00 14.13 C ATOM 0 HA VAL A 84 5.228 21.266 17.044 1.00 14.13 H new ATOM 0 HB VAL A 84 4.589 18.828 16.555 1.00 14.13 H new ATOM 0 HG11 VAL A 84 2.536 18.973 17.938 1.00 14.13 H new ATOM 0 HG12 VAL A 84 3.797 20.069 18.551 1.00 14.13 H new ATOM 0 HG13 VAL A 84 2.436 20.719 17.606 1.00 14.13 H new ATOM 0 HG21 VAL A 84 2.371 18.503 15.489 1.00 14.13 H new ATOM 0 HG22 VAL A 84 2.273 20.249 15.160 1.00 14.13 H new ATOM 0 HG23 VAL A 84 3.517 19.261 14.358 1.00 14.13 H new ATOM 16 N THR A 85 6.973 20.349 15.447 1.00 10.64 N ATOM 17 CA THR A 85 8.029 20.043 14.442 1.00 10.64 C ATOM 18 C THR A 85 8.945 18.945 14.985 1.00 10.64 C ATOM 19 O THR A 85 10.070 19.195 15.371 1.00 10.64 O ATOM 20 CB THR A 85 8.851 21.305 14.167 1.00 10.64 C ATOM 21 OG1 THR A 85 8.450 22.333 15.062 1.00 10.64 O ATOM 22 CG2 THR A 85 8.623 21.761 12.726 1.00 10.64 C ATOM 0 H THR A 85 7.277 20.317 16.420 1.00 10.64 H new ATOM 0 HA THR A 85 7.564 19.703 13.516 1.00 10.64 H new ATOM 0 HB THR A 85 9.909 21.089 14.313 1.00 10.64 H new ATOM 0 HG1 THR A 85 8.976 23.141 14.889 1.00 10.64 H new ATOM 0 HG21 THR A 85 9.209 22.659 12.532 1.00 10.64 H new ATOM 0 HG22 THR A 85 8.932 20.971 12.041 1.00 10.64 H new ATOM 0 HG23 THR A 85 7.565 21.978 12.576 1.00 10.64 H new ATOM 30 N LEU A 86 8.473 17.728 15.018 1.00 4.30 N ATOM 31 CA LEU A 86 9.318 16.616 15.537 1.00 4.30 C ATOM 32 C LEU A 86 10.106 15.992 14.384 1.00 4.30 C ATOM 33 O LEU A 86 9.541 15.509 13.422 1.00 4.30 O ATOM 34 CB LEU A 86 8.424 15.552 16.178 1.00 4.30 C ATOM 35 CG LEU A 86 8.506 15.667 17.700 1.00 4.30 C ATOM 36 CD1 LEU A 86 9.944 15.415 18.156 1.00 4.30 C ATOM 37 CD2 LEU A 86 8.075 17.071 18.129 1.00 4.30 C ATOM 0 H LEU A 86 7.540 17.457 14.708 1.00 4.30 H new ATOM 0 HA LEU A 86 10.012 17.005 16.282 1.00 4.30 H new ATOM 0 HB2 LEU A 86 7.393 15.681 15.848 1.00 4.30 H new ATOM 0 HB3 LEU A 86 8.739 14.558 15.860 1.00 4.30 H new ATOM 0 HG LEU A 86 7.846 14.928 18.155 1.00 4.30 H new ATOM 0 HD11 LEU A 86 10.001 15.497 19.241 1.00 4.30 H new ATOM 0 HD12 LEU A 86 10.252 14.415 17.851 1.00 4.30 H new ATOM 0 HD13 LEU A 86 10.605 16.153 17.701 1.00 4.30 H new ATOM 0 HD21 LEU A 86 8.133 17.154 19.214 1.00 4.30 H new ATOM 0 HD22 LEU A 86 8.734 17.809 17.673 1.00 4.30 H new ATOM 0 HD23 LEU A 86 7.050 17.252 17.806 1.00 4.30 H new ATOM 49 N PHE A 87 11.408 15.997 14.472 1.00 1.32 N ATOM 50 CA PHE A 87 12.232 15.403 13.382 1.00 1.32 C ATOM 51 C PHE A 87 13.039 14.228 13.937 1.00 1.32 C ATOM 52 O PHE A 87 13.214 14.091 15.132 1.00 1.32 O ATOM 53 CB PHE A 87 13.188 16.463 12.831 1.00 1.32 C ATOM 54 CG PHE A 87 12.413 17.455 11.998 1.00 1.32 C ATOM 55 CD1 PHE A 87 11.544 18.363 12.618 1.00 1.32 C ATOM 56 CD2 PHE A 87 12.562 17.467 10.605 1.00 1.32 C ATOM 57 CE1 PHE A 87 10.824 19.284 11.844 1.00 1.32 C ATOM 58 CE2 PHE A 87 11.842 18.388 9.831 1.00 1.32 C ATOM 59 CZ PHE A 87 10.973 19.296 10.451 1.00 1.32 C ATOM 0 H PHE A 87 11.937 16.387 15.252 1.00 1.32 H new ATOM 0 HA PHE A 87 11.580 15.051 12.583 1.00 1.32 H new ATOM 0 HB2 PHE A 87 13.692 16.975 13.651 1.00 1.32 H new ATOM 0 HB3 PHE A 87 13.962 15.991 12.227 1.00 1.32 H new ATOM 0 HD1 PHE A 87 11.429 18.353 13.692 1.00 1.32 H new ATOM 0 HD2 PHE A 87 13.231 16.767 10.127 1.00 1.32 H new ATOM 0 HE1 PHE A 87 10.155 19.984 12.322 1.00 1.32 H new ATOM 0 HE2 PHE A 87 11.957 18.398 8.757 1.00 1.32 H new ATOM 0 HZ PHE A 87 10.418 20.005 9.855 1.00 1.32 H new ATOM 69 N VAL A 88 13.532 13.377 13.079 1.00 1.18 N ATOM 70 CA VAL A 88 14.327 12.212 13.560 1.00 1.18 C ATOM 71 C VAL A 88 15.670 12.174 12.828 1.00 1.18 C ATOM 72 O VAL A 88 15.792 12.640 11.712 1.00 1.18 O ATOM 73 CB VAL A 88 13.560 10.917 13.283 1.00 1.18 C ATOM 74 CG1 VAL A 88 13.960 9.858 14.312 1.00 1.18 C ATOM 75 CG2 VAL A 88 12.056 11.181 13.384 1.00 1.18 C ATOM 0 H VAL A 88 13.419 13.438 12.067 1.00 1.18 H new ATOM 0 HA VAL A 88 14.498 12.309 14.632 1.00 1.18 H new ATOM 0 HB VAL A 88 13.800 10.561 12.281 1.00 1.18 H new ATOM 0 HG11 VAL A 88 13.414 8.935 14.115 1.00 1.18 H new ATOM 0 HG12 VAL A 88 15.031 9.668 14.241 1.00 1.18 H new ATOM 0 HG13 VAL A 88 13.720 10.215 15.314 1.00 1.18 H new ATOM 0 HG21 VAL A 88 11.511 10.258 13.187 1.00 1.18 H new ATOM 0 HG22 VAL A 88 11.816 11.537 14.386 1.00 1.18 H new ATOM 0 HG23 VAL A 88 11.769 11.936 12.652 1.00 1.18 H new ATOM 85 N ALA A 89 16.678 11.623 13.446 1.00 1.13 N ATOM 86 CA ALA A 89 18.012 11.557 12.785 1.00 1.13 C ATOM 87 C ALA A 89 18.054 10.352 11.842 1.00 1.13 C ATOM 88 O ALA A 89 18.017 9.216 12.270 1.00 1.13 O ATOM 89 CB ALA A 89 19.102 11.411 13.848 1.00 1.13 C ATOM 0 H ALA A 89 16.636 11.216 14.380 1.00 1.13 H new ATOM 0 HA ALA A 89 18.181 12.471 12.215 1.00 1.13 H new ATOM 0 HB1 ALA A 89 20.078 11.363 13.364 1.00 1.13 H new ATOM 0 HB2 ALA A 89 19.072 12.269 14.520 1.00 1.13 H new ATOM 0 HB3 ALA A 89 18.934 10.497 14.418 1.00 1.13 H new ATOM 95 N LEU A 90 18.130 10.591 10.562 1.00 1.58 N ATOM 96 CA LEU A 90 18.174 9.459 9.594 1.00 1.58 C ATOM 97 C LEU A 90 19.528 8.754 9.693 1.00 1.58 C ATOM 98 O LEU A 90 19.707 7.660 9.196 1.00 1.58 O ATOM 99 CB LEU A 90 17.979 9.995 8.174 1.00 1.58 C ATOM 100 CG LEU A 90 16.769 10.930 8.142 1.00 1.58 C ATOM 101 CD1 LEU A 90 17.109 12.179 7.327 1.00 1.58 C ATOM 102 CD2 LEU A 90 15.585 10.207 7.496 1.00 1.58 C ATOM 0 H LEU A 90 18.164 11.521 10.144 1.00 1.58 H new ATOM 0 HA LEU A 90 17.379 8.750 9.827 1.00 1.58 H new ATOM 0 HB2 LEU A 90 18.873 10.528 7.850 1.00 1.58 H new ATOM 0 HB3 LEU A 90 17.831 9.168 7.479 1.00 1.58 H new ATOM 0 HG LEU A 90 16.508 11.221 9.159 1.00 1.58 H new ATOM 0 HD11 LEU A 90 16.246 12.845 7.305 1.00 1.58 H new ATOM 0 HD12 LEU A 90 17.953 12.694 7.786 1.00 1.58 H new ATOM 0 HD13 LEU A 90 17.370 11.889 6.309 1.00 1.58 H new ATOM 0 HD21 LEU A 90 14.722 10.872 7.472 1.00 1.58 H new ATOM 0 HD22 LEU A 90 15.847 9.916 6.479 1.00 1.58 H new ATOM 0 HD23 LEU A 90 15.342 9.317 8.076 1.00 1.58 H new ATOM 114 N TYR A 91 20.484 9.371 10.333 1.00 2.84 N ATOM 115 CA TYR A 91 21.825 8.735 10.464 1.00 2.84 C ATOM 116 C TYR A 91 22.491 9.211 11.757 1.00 2.84 C ATOM 117 O TYR A 91 22.129 10.228 12.315 1.00 2.84 O ATOM 118 CB TYR A 91 22.696 9.127 9.269 1.00 2.84 C ATOM 119 CG TYR A 91 21.858 9.129 8.013 1.00 2.84 C ATOM 120 CD1 TYR A 91 21.539 7.920 7.381 1.00 2.84 C ATOM 121 CD2 TYR A 91 21.400 10.341 7.479 1.00 2.84 C ATOM 122 CE1 TYR A 91 20.762 7.923 6.215 1.00 2.84 C ATOM 123 CE2 TYR A 91 20.623 10.344 6.313 1.00 2.84 C ATOM 124 CZ TYR A 91 20.304 9.135 5.681 1.00 2.84 C ATOM 125 OH TYR A 91 19.538 9.138 4.533 1.00 2.84 O ATOM 0 H TYR A 91 20.394 10.288 10.771 1.00 2.84 H new ATOM 0 HA TYR A 91 21.711 7.651 10.490 1.00 2.84 H new ATOM 0 HB2 TYR A 91 23.130 10.114 9.430 1.00 2.84 H new ATOM 0 HB3 TYR A 91 23.525 8.427 9.165 1.00 2.84 H new ATOM 0 HD1 TYR A 91 21.892 6.986 7.792 1.00 2.84 H new ATOM 0 HD2 TYR A 91 21.646 11.273 7.966 1.00 2.84 H new ATOM 0 HE1 TYR A 91 20.516 6.991 5.728 1.00 2.84 H new ATOM 0 HE2 TYR A 91 20.270 11.278 5.902 1.00 2.84 H new ATOM 0 HH TYR A 91 19.303 10.060 4.299 1.00 2.84 H new ATOM 135 N ASP A 92 23.463 8.484 12.236 1.00 2.55 N ATOM 136 CA ASP A 92 24.152 8.897 13.491 1.00 2.55 C ATOM 137 C ASP A 92 25.085 10.072 13.196 1.00 2.55 C ATOM 138 O ASP A 92 25.564 10.235 12.091 1.00 2.55 O ATOM 139 CB ASP A 92 24.967 7.722 14.036 1.00 2.55 C ATOM 140 CG ASP A 92 25.834 7.141 12.919 1.00 2.55 C ATOM 141 OD1 ASP A 92 26.830 7.761 12.585 1.00 2.55 O ATOM 142 OD2 ASP A 92 25.487 6.085 12.415 1.00 2.55 O ATOM 0 H ASP A 92 23.809 7.623 11.813 1.00 2.55 H new ATOM 0 HA ASP A 92 23.411 9.198 14.231 1.00 2.55 H new ATOM 0 HB2 ASP A 92 25.595 8.054 14.863 1.00 2.55 H new ATOM 0 HB3 ASP A 92 24.300 6.955 14.430 1.00 2.55 H new ATOM 147 N TYR A 93 25.349 10.894 14.175 1.00 1.55 N ATOM 148 CA TYR A 93 26.251 12.057 13.948 1.00 1.55 C ATOM 149 C TYR A 93 27.168 12.234 15.159 1.00 1.55 C ATOM 150 O TYR A 93 26.746 12.118 16.292 1.00 1.55 O ATOM 151 CB TYR A 93 25.414 13.322 13.753 1.00 1.55 C ATOM 152 CG TYR A 93 26.328 14.518 13.634 1.00 1.55 C ATOM 153 CD1 TYR A 93 27.261 14.586 12.591 1.00 1.55 C ATOM 154 CD2 TYR A 93 26.244 15.560 14.567 1.00 1.55 C ATOM 155 CE1 TYR A 93 28.110 15.696 12.481 1.00 1.55 C ATOM 156 CE2 TYR A 93 27.092 16.670 14.457 1.00 1.55 C ATOM 157 CZ TYR A 93 28.025 16.738 13.414 1.00 1.55 C ATOM 158 OH TYR A 93 28.861 17.831 13.305 1.00 1.55 O ATOM 0 H TYR A 93 24.979 10.810 15.122 1.00 1.55 H new ATOM 0 HA TYR A 93 26.854 11.880 13.058 1.00 1.55 H new ATOM 0 HB2 TYR A 93 24.800 13.230 12.857 1.00 1.55 H new ATOM 0 HB3 TYR A 93 24.733 13.454 14.594 1.00 1.55 H new ATOM 0 HD1 TYR A 93 27.326 13.783 11.872 1.00 1.55 H new ATOM 0 HD2 TYR A 93 25.525 15.508 15.371 1.00 1.55 H new ATOM 0 HE1 TYR A 93 28.830 15.748 11.677 1.00 1.55 H new ATOM 0 HE2 TYR A 93 27.026 17.473 15.176 1.00 1.55 H new ATOM 0 HH TYR A 93 28.336 18.621 13.058 1.00 1.55 H new ATOM 168 N GLU A 94 28.421 12.516 14.929 1.00 3.36 N ATOM 169 CA GLU A 94 29.364 12.702 16.067 1.00 3.36 C ATOM 170 C GLU A 94 29.746 14.179 16.175 1.00 3.36 C ATOM 171 O GLU A 94 30.638 14.650 15.499 1.00 3.36 O ATOM 172 CB GLU A 94 30.624 11.866 15.829 1.00 3.36 C ATOM 173 CG GLU A 94 30.333 10.399 16.152 1.00 3.36 C ATOM 174 CD GLU A 94 31.631 9.593 16.079 1.00 3.36 C ATOM 175 OE1 GLU A 94 32.309 9.689 15.069 1.00 3.36 O ATOM 176 OE2 GLU A 94 31.925 8.894 17.034 1.00 3.36 O ATOM 0 H GLU A 94 28.832 12.626 14.002 1.00 3.36 H new ATOM 0 HA GLU A 94 28.885 12.381 16.992 1.00 3.36 H new ATOM 0 HB2 GLU A 94 30.948 11.964 14.793 1.00 3.36 H new ATOM 0 HB3 GLU A 94 31.439 12.232 16.453 1.00 3.36 H new ATOM 0 HG2 GLU A 94 29.896 10.315 17.147 1.00 3.36 H new ATOM 0 HG3 GLU A 94 29.604 9.998 15.448 1.00 3.36 H new ATOM 183 N ALA A 95 29.077 14.914 17.020 1.00 7.45 N ATOM 184 CA ALA A 95 29.403 16.359 17.170 1.00 7.45 C ATOM 185 C ALA A 95 30.920 16.533 17.253 1.00 7.45 C ATOM 186 O ALA A 95 31.574 15.961 18.102 1.00 7.45 O ATOM 187 CB ALA A 95 28.758 16.899 18.448 1.00 7.45 C ATOM 0 H ALA A 95 28.319 14.576 17.613 1.00 7.45 H new ATOM 0 HA ALA A 95 29.020 16.908 16.310 1.00 7.45 H new ATOM 0 HB1 ALA A 95 28.997 17.957 18.557 1.00 7.45 H new ATOM 0 HB2 ALA A 95 27.677 16.775 18.390 1.00 7.45 H new ATOM 0 HB3 ALA A 95 29.140 16.350 19.309 1.00 7.45 H new ATOM 193 N ARG A 96 31.485 17.321 16.380 1.00 13.16 N ATOM 194 CA ARG A 96 32.960 17.534 16.414 1.00 13.16 C ATOM 195 C ARG A 96 33.260 18.931 16.963 1.00 13.16 C ATOM 196 O ARG A 96 34.401 19.307 17.142 1.00 13.16 O ATOM 197 CB ARG A 96 33.540 17.402 15.001 1.00 13.16 C ATOM 198 CG ARG A 96 32.492 17.821 13.967 1.00 13.16 C ATOM 199 CD ARG A 96 33.071 17.657 12.560 1.00 13.16 C ATOM 200 NE ARG A 96 33.832 16.379 12.483 1.00 13.16 N ATOM 201 CZ ARG A 96 35.109 16.396 12.213 1.00 13.16 C ATOM 202 NH1 ARG A 96 35.513 16.557 10.983 1.00 13.16 N ATOM 203 NH2 ARG A 96 35.981 16.251 13.173 1.00 13.16 N ATOM 0 H ARG A 96 30.990 17.826 15.645 1.00 13.16 H new ATOM 0 HA ARG A 96 33.416 16.782 17.058 1.00 13.16 H new ATOM 0 HB2 ARG A 96 34.429 18.025 14.904 1.00 13.16 H new ATOM 0 HB3 ARG A 96 33.851 16.373 14.821 1.00 13.16 H new ATOM 0 HG2 ARG A 96 31.594 17.212 14.076 1.00 13.16 H new ATOM 0 HG3 ARG A 96 32.197 18.857 14.132 1.00 13.16 H new ATOM 0 HD2 ARG A 96 32.269 17.660 11.822 1.00 13.16 H new ATOM 0 HD3 ARG A 96 33.724 18.497 12.324 1.00 13.16 H new ATOM 0 HE ARG A 96 33.356 15.491 12.641 1.00 13.16 H new ATOM 0 HH11 ARG A 96 34.831 16.670 10.233 1.00 13.16 H new ATOM 0 HH12 ARG A 96 36.511 16.570 10.772 1.00 13.16 H new ATOM 0 HH21 ARG A 96 35.665 16.124 14.134 1.00 13.16 H new ATOM 0 HH22 ARG A 96 36.979 16.264 12.962 1.00 13.16 H new ATOM 217 N THR A 97 32.243 19.703 17.235 1.00 9.50 N ATOM 218 CA THR A 97 32.469 21.072 17.776 1.00 9.50 C ATOM 219 C THR A 97 31.584 21.280 19.007 1.00 9.50 C ATOM 220 O THR A 97 30.717 20.481 19.300 1.00 9.50 O ATOM 221 CB THR A 97 32.112 22.109 16.708 1.00 9.50 C ATOM 222 OG1 THR A 97 31.838 23.355 17.333 1.00 9.50 O ATOM 223 CG2 THR A 97 30.878 21.642 15.934 1.00 9.50 C ATOM 0 H THR A 97 31.265 19.444 17.106 1.00 9.50 H new ATOM 0 HA THR A 97 33.516 21.187 18.055 1.00 9.50 H new ATOM 0 HB THR A 97 32.948 22.224 16.019 1.00 9.50 H new ATOM 0 HG1 THR A 97 31.611 24.020 16.650 1.00 9.50 H new ATOM 0 HG21 THR A 97 30.624 22.381 15.174 1.00 9.50 H new ATOM 0 HG22 THR A 97 31.089 20.686 15.455 1.00 9.50 H new ATOM 0 HG23 THR A 97 30.040 21.526 16.621 1.00 9.50 H new ATOM 231 N GLU A 98 31.794 22.345 19.730 1.00 12.04 N ATOM 232 CA GLU A 98 30.962 22.598 20.940 1.00 12.04 C ATOM 233 C GLU A 98 29.660 23.288 20.529 1.00 12.04 C ATOM 234 O GLU A 98 28.911 23.763 21.359 1.00 12.04 O ATOM 235 CB GLU A 98 31.733 23.495 21.911 1.00 12.04 C ATOM 236 CG GLU A 98 32.762 22.658 22.673 1.00 12.04 C ATOM 237 CD GLU A 98 34.023 23.490 22.912 1.00 12.04 C ATOM 238 OE1 GLU A 98 34.677 23.831 21.940 1.00 12.04 O ATOM 239 OE2 GLU A 98 34.313 23.773 24.062 1.00 12.04 O ATOM 0 H GLU A 98 32.505 23.050 19.536 1.00 12.04 H new ATOM 0 HA GLU A 98 30.731 21.651 21.427 1.00 12.04 H new ATOM 0 HB2 GLU A 98 32.232 24.295 21.365 1.00 12.04 H new ATOM 0 HB3 GLU A 98 31.044 23.968 22.610 1.00 12.04 H new ATOM 0 HG2 GLU A 98 32.345 22.329 23.625 1.00 12.04 H new ATOM 0 HG3 GLU A 98 33.008 21.761 22.105 1.00 12.04 H new ATOM 246 N ASP A 99 29.384 23.347 19.255 1.00 4.87 N ATOM 247 CA ASP A 99 28.130 24.007 18.795 1.00 4.87 C ATOM 248 C ASP A 99 27.181 22.955 18.217 1.00 4.87 C ATOM 249 O ASP A 99 25.986 23.162 18.136 1.00 4.87 O ATOM 250 CB ASP A 99 28.464 25.039 17.716 1.00 4.87 C ATOM 251 CG ASP A 99 29.270 26.183 18.335 1.00 4.87 C ATOM 252 OD1 ASP A 99 28.684 26.970 19.060 1.00 4.87 O ATOM 253 OD2 ASP A 99 30.460 26.253 18.073 1.00 4.87 O ATOM 0 H ASP A 99 29.972 22.967 18.513 1.00 4.87 H new ATOM 0 HA ASP A 99 27.651 24.504 19.639 1.00 4.87 H new ATOM 0 HB2 ASP A 99 29.035 24.571 16.914 1.00 4.87 H new ATOM 0 HB3 ASP A 99 27.547 25.425 17.271 1.00 4.87 H new ATOM 258 N ASP A 100 27.701 21.828 17.814 1.00 3.18 N ATOM 259 CA ASP A 100 26.825 20.766 17.241 1.00 3.18 C ATOM 260 C ASP A 100 26.477 19.747 18.328 1.00 3.18 C ATOM 261 O ASP A 100 27.022 19.772 19.414 1.00 3.18 O ATOM 262 CB ASP A 100 27.560 20.062 16.098 1.00 3.18 C ATOM 263 CG ASP A 100 27.910 21.080 15.012 1.00 3.18 C ATOM 264 OD1 ASP A 100 27.255 22.108 14.957 1.00 3.18 O ATOM 265 OD2 ASP A 100 28.828 20.815 14.253 1.00 3.18 O ATOM 0 H ASP A 100 28.693 21.596 17.856 1.00 3.18 H new ATOM 0 HA ASP A 100 25.908 21.217 16.862 1.00 3.18 H new ATOM 0 HB2 ASP A 100 28.467 19.588 16.473 1.00 3.18 H new ATOM 0 HB3 ASP A 100 26.935 19.271 15.682 1.00 3.18 H new ATOM 270 N LEU A 101 25.573 18.849 18.045 1.00 1.73 N ATOM 271 CA LEU A 101 25.190 17.828 19.061 1.00 1.73 C ATOM 272 C LEU A 101 25.578 16.436 18.558 1.00 1.73 C ATOM 273 O LEU A 101 25.944 16.259 17.413 1.00 1.73 O ATOM 274 CB LEU A 101 23.679 17.880 19.294 1.00 1.73 C ATOM 275 CG LEU A 101 23.259 19.315 19.612 1.00 1.73 C ATOM 276 CD1 LEU A 101 22.055 19.697 18.749 1.00 1.73 C ATOM 277 CD2 LEU A 101 22.878 19.418 21.090 1.00 1.73 C ATOM 0 H LEU A 101 25.083 18.778 17.153 1.00 1.73 H new ATOM 0 HA LEU A 101 25.710 18.036 19.996 1.00 1.73 H new ATOM 0 HB2 LEU A 101 23.152 17.524 18.409 1.00 1.73 H new ATOM 0 HB3 LEU A 101 23.405 17.219 20.116 1.00 1.73 H new ATOM 0 HG LEU A 101 24.087 19.991 19.401 1.00 1.73 H new ATOM 0 HD11 LEU A 101 21.755 20.720 18.975 1.00 1.73 H new ATOM 0 HD12 LEU A 101 22.324 19.622 17.695 1.00 1.73 H new ATOM 0 HD13 LEU A 101 21.227 19.021 18.960 1.00 1.73 H new ATOM 0 HD21 LEU A 101 22.578 20.441 21.318 1.00 1.73 H new ATOM 0 HD22 LEU A 101 22.049 18.742 21.300 1.00 1.73 H new ATOM 0 HD23 LEU A 101 23.734 19.145 21.706 1.00 1.73 H new ATOM 289 N SER A 102 25.501 15.446 19.405 1.00 1.51 N ATOM 290 CA SER A 102 25.865 14.066 18.975 1.00 1.51 C ATOM 291 C SER A 102 24.718 13.109 19.306 1.00 1.51 C ATOM 292 O SER A 102 24.095 13.208 20.345 1.00 1.51 O ATOM 293 CB SER A 102 27.129 13.621 19.710 1.00 1.51 C ATOM 294 OG SER A 102 26.821 13.399 21.080 1.00 1.51 O ATOM 0 H SER A 102 25.202 15.533 20.376 1.00 1.51 H new ATOM 0 HA SER A 102 26.047 14.056 17.900 1.00 1.51 H new ATOM 0 HB2 SER A 102 27.523 12.709 19.261 1.00 1.51 H new ATOM 0 HB3 SER A 102 27.904 14.382 19.618 1.00 1.51 H new ATOM 0 HG SER A 102 27.629 13.112 21.555 1.00 1.51 H new ATOM 300 N PHE A 103 24.432 12.183 18.432 1.00 1.22 N ATOM 301 CA PHE A 103 23.325 11.222 18.701 1.00 1.22 C ATOM 302 C PHE A 103 23.427 10.040 17.735 1.00 1.22 C ATOM 303 O PHE A 103 24.409 9.877 17.039 1.00 1.22 O ATOM 304 CB PHE A 103 21.981 11.926 18.504 1.00 1.22 C ATOM 305 CG PHE A 103 22.011 12.718 17.218 1.00 1.22 C ATOM 306 CD1 PHE A 103 21.687 12.097 16.005 1.00 1.22 C ATOM 307 CD2 PHE A 103 22.363 14.074 17.239 1.00 1.22 C ATOM 308 CE1 PHE A 103 21.714 12.832 14.812 1.00 1.22 C ATOM 309 CE2 PHE A 103 22.390 14.809 16.047 1.00 1.22 C ATOM 310 CZ PHE A 103 22.066 14.188 14.833 1.00 1.22 C ATOM 0 H PHE A 103 24.916 12.050 17.544 1.00 1.22 H new ATOM 0 HA PHE A 103 23.400 10.860 19.726 1.00 1.22 H new ATOM 0 HB2 PHE A 103 21.175 11.193 18.473 1.00 1.22 H new ATOM 0 HB3 PHE A 103 21.778 12.587 19.346 1.00 1.22 H new ATOM 0 HD1 PHE A 103 21.416 11.052 15.989 1.00 1.22 H new ATOM 0 HD2 PHE A 103 22.613 14.552 18.174 1.00 1.22 H new ATOM 0 HE1 PHE A 103 21.464 12.353 13.877 1.00 1.22 H new ATOM 0 HE2 PHE A 103 22.661 15.854 16.063 1.00 1.22 H new ATOM 0 HZ PHE A 103 22.088 14.755 13.914 1.00 1.22 H new ATOM 320 N HIS A 104 22.417 9.214 17.686 1.00 1.97 N ATOM 321 CA HIS A 104 22.455 8.044 16.765 1.00 1.97 C ATOM 322 C HIS A 104 21.173 8.013 15.929 1.00 1.97 C ATOM 323 O HIS A 104 20.150 8.534 16.325 1.00 1.97 O ATOM 324 CB HIS A 104 22.563 6.755 17.581 1.00 1.97 C ATOM 325 CG HIS A 104 23.960 6.621 18.124 1.00 1.97 C ATOM 326 ND1 HIS A 104 24.296 7.020 19.408 1.00 1.97 N ATOM 327 CD2 HIS A 104 25.117 6.135 17.567 1.00 1.97 C ATOM 328 CE1 HIS A 104 25.606 6.768 19.581 1.00 1.97 C ATOM 329 NE2 HIS A 104 26.156 6.229 18.490 1.00 1.97 N ATOM 0 H HIS A 104 21.568 9.300 18.244 1.00 1.97 H new ATOM 0 HA HIS A 104 23.318 8.129 16.105 1.00 1.97 H new ATOM 0 HB2 HIS A 104 21.843 6.769 18.399 1.00 1.97 H new ATOM 0 HB3 HIS A 104 22.320 5.895 16.957 1.00 1.97 H new ATOM 0 HD2 HIS A 104 25.208 5.740 16.566 1.00 1.97 H new ATOM 0 HE1 HIS A 104 26.147 6.976 20.492 1.00 1.97 H new ATOM 0 HE2 HIS A 104 27.128 5.947 18.360 1.00 1.97 H new ATOM 337 N LYS A 105 21.221 7.405 14.775 1.00 2.83 N ATOM 338 CA LYS A 105 20.007 7.340 13.915 1.00 2.83 C ATOM 339 C LYS A 105 18.838 6.771 14.723 1.00 2.83 C ATOM 340 O LYS A 105 18.908 5.677 15.246 1.00 2.83 O ATOM 341 CB LYS A 105 20.282 6.437 12.711 1.00 2.83 C ATOM 342 CG LYS A 105 18.992 6.243 11.911 1.00 2.83 C ATOM 343 CD LYS A 105 19.210 5.171 10.841 1.00 2.83 C ATOM 344 CE LYS A 105 17.924 4.363 10.657 1.00 2.83 C ATOM 345 NZ LYS A 105 18.122 2.986 11.191 1.00 2.83 N ATOM 0 H LYS A 105 22.049 6.950 14.391 1.00 2.83 H new ATOM 0 HA LYS A 105 19.755 8.342 13.568 1.00 2.83 H new ATOM 0 HB2 LYS A 105 21.051 6.881 12.079 1.00 2.83 H new ATOM 0 HB3 LYS A 105 20.663 5.472 13.046 1.00 2.83 H new ATOM 0 HG2 LYS A 105 18.180 5.948 12.576 1.00 2.83 H new ATOM 0 HG3 LYS A 105 18.696 7.183 11.444 1.00 2.83 H new ATOM 0 HD2 LYS A 105 19.497 5.637 9.898 1.00 2.83 H new ATOM 0 HD3 LYS A 105 20.027 4.512 11.133 1.00 2.83 H new ATOM 0 HE2 LYS A 105 17.098 4.850 11.175 1.00 2.83 H new ATOM 0 HE3 LYS A 105 17.657 4.320 9.601 1.00 2.83 H new ATOM 0 HZ1 LYS A 105 17.248 2.436 11.066 1.00 2.83 H new ATOM 0 HZ2 LYS A 105 18.899 2.523 10.677 1.00 2.83 H new ATOM 0 HZ3 LYS A 105 18.358 3.037 12.203 1.00 2.83 H new ATOM 359 N GLY A 106 17.764 7.504 14.828 1.00 1.82 N ATOM 360 CA GLY A 106 16.592 7.002 15.600 1.00 1.82 C ATOM 361 C GLY A 106 16.293 7.955 16.759 1.00 1.82 C ATOM 362 O GLY A 106 15.303 7.816 17.449 1.00 1.82 O ATOM 0 H GLY A 106 17.647 8.428 14.413 1.00 1.82 H new ATOM 0 HA2 GLY A 106 15.722 6.922 14.948 1.00 1.82 H new ATOM 0 HA3 GLY A 106 16.797 6.002 15.982 1.00 1.82 H new ATOM 366 N GLU A 107 17.140 8.924 16.979 1.00 1.50 N ATOM 367 CA GLU A 107 16.900 9.883 18.094 1.00 1.50 C ATOM 368 C GLU A 107 15.897 10.947 17.645 1.00 1.50 C ATOM 369 O GLU A 107 15.753 11.221 16.470 1.00 1.50 O ATOM 370 CB GLU A 107 18.219 10.556 18.481 1.00 1.50 C ATOM 371 CG GLU A 107 18.864 9.790 19.638 1.00 1.50 C ATOM 372 CD GLU A 107 19.373 10.781 20.686 1.00 1.50 C ATOM 373 OE1 GLU A 107 18.890 11.901 20.697 1.00 1.50 O ATOM 374 OE2 GLU A 107 20.237 10.403 21.459 1.00 1.50 O ATOM 0 H GLU A 107 17.986 9.092 16.435 1.00 1.50 H new ATOM 0 HA GLU A 107 16.500 9.347 18.954 1.00 1.50 H new ATOM 0 HB2 GLU A 107 18.893 10.578 17.625 1.00 1.50 H new ATOM 0 HB3 GLU A 107 18.040 11.591 18.772 1.00 1.50 H new ATOM 0 HG2 GLU A 107 18.140 9.110 20.087 1.00 1.50 H new ATOM 0 HG3 GLU A 107 19.688 9.179 19.269 1.00 1.50 H new ATOM 381 N LYS A 108 15.201 11.549 18.571 1.00 2.46 N ATOM 382 CA LYS A 108 14.208 12.595 18.196 1.00 2.46 C ATOM 383 C LYS A 108 14.811 13.980 18.441 1.00 2.46 C ATOM 384 O LYS A 108 15.720 14.141 19.230 1.00 2.46 O ATOM 385 CB LYS A 108 12.944 12.433 19.045 1.00 2.46 C ATOM 386 CG LYS A 108 12.736 10.955 19.383 1.00 2.46 C ATOM 387 CD LYS A 108 12.590 10.151 18.089 1.00 2.46 C ATOM 388 CE LYS A 108 11.612 8.996 18.314 1.00 2.46 C ATOM 389 NZ LYS A 108 10.290 9.342 17.719 1.00 2.46 N ATOM 0 H LYS A 108 15.277 11.361 19.571 1.00 2.46 H new ATOM 0 HA LYS A 108 13.952 12.489 17.142 1.00 2.46 H new ATOM 0 HB2 LYS A 108 13.032 13.017 19.961 1.00 2.46 H new ATOM 0 HB3 LYS A 108 12.079 12.818 18.504 1.00 2.46 H new ATOM 0 HG2 LYS A 108 13.580 10.581 19.963 1.00 2.46 H new ATOM 0 HG3 LYS A 108 11.846 10.834 20.001 1.00 2.46 H new ATOM 0 HD2 LYS A 108 12.230 10.795 17.287 1.00 2.46 H new ATOM 0 HD3 LYS A 108 13.560 9.765 17.777 1.00 2.46 H new ATOM 0 HE2 LYS A 108 11.999 8.084 17.861 1.00 2.46 H new ATOM 0 HE3 LYS A 108 11.503 8.800 19.381 1.00 2.46 H new ATOM 0 HZ1 LYS A 108 9.625 8.557 17.872 1.00 2.46 H new ATOM 0 HZ2 LYS A 108 9.920 10.202 18.171 1.00 2.46 H new ATOM 0 HZ3 LYS A 108 10.401 9.508 16.698 1.00 2.46 H new ATOM 403 N PHE A 109 14.311 14.982 17.770 1.00 1.18 N ATOM 404 CA PHE A 109 14.857 16.355 17.966 1.00 1.18 C ATOM 405 C PHE A 109 13.749 17.383 17.727 1.00 1.18 C ATOM 406 O PHE A 109 12.869 17.184 16.914 1.00 1.18 O ATOM 407 CB PHE A 109 15.999 16.596 16.978 1.00 1.18 C ATOM 408 CG PHE A 109 17.208 15.798 17.402 1.00 1.18 C ATOM 409 CD1 PHE A 109 17.974 16.216 18.498 1.00 1.18 C ATOM 410 CD2 PHE A 109 17.564 14.639 16.699 1.00 1.18 C ATOM 411 CE1 PHE A 109 19.096 15.475 18.892 1.00 1.18 C ATOM 412 CE2 PHE A 109 18.687 13.899 17.092 1.00 1.18 C ATOM 413 CZ PHE A 109 19.453 14.316 18.189 1.00 1.18 C ATOM 0 H PHE A 109 13.549 14.909 17.096 1.00 1.18 H new ATOM 0 HA PHE A 109 15.232 16.455 18.985 1.00 1.18 H new ATOM 0 HB2 PHE A 109 15.692 16.305 15.973 1.00 1.18 H new ATOM 0 HB3 PHE A 109 16.245 17.657 16.942 1.00 1.18 H new ATOM 0 HD1 PHE A 109 17.700 17.109 19.039 1.00 1.18 H new ATOM 0 HD2 PHE A 109 16.973 14.316 15.855 1.00 1.18 H new ATOM 0 HE1 PHE A 109 19.686 15.797 19.737 1.00 1.18 H new ATOM 0 HE2 PHE A 109 18.962 13.007 16.549 1.00 1.18 H new ATOM 0 HZ PHE A 109 20.318 13.745 18.493 1.00 1.18 H new ATOM 423 N GLN A 110 13.784 18.481 18.432 1.00 1.12 N ATOM 424 CA GLN A 110 12.732 19.519 18.245 1.00 1.12 C ATOM 425 C GLN A 110 13.321 20.714 17.492 1.00 1.12 C ATOM 426 O GLN A 110 13.979 21.559 18.067 1.00 1.12 O ATOM 427 CB GLN A 110 12.223 19.979 19.613 1.00 1.12 C ATOM 428 CG GLN A 110 11.409 18.857 20.259 1.00 1.12 C ATOM 429 CD GLN A 110 10.159 19.445 20.916 1.00 1.12 C ATOM 430 OE1 GLN A 110 10.141 19.684 22.107 1.00 1.12 O ATOM 431 NE2 GLN A 110 9.107 19.692 20.185 1.00 1.12 N ATOM 0 H GLN A 110 14.495 18.704 19.129 1.00 1.12 H new ATOM 0 HA GLN A 110 11.906 19.100 17.671 1.00 1.12 H new ATOM 0 HB2 GLN A 110 13.063 20.248 20.253 1.00 1.12 H new ATOM 0 HB3 GLN A 110 11.607 20.872 19.502 1.00 1.12 H new ATOM 0 HG2 GLN A 110 11.125 18.120 19.507 1.00 1.12 H new ATOM 0 HG3 GLN A 110 12.013 18.337 21.003 1.00 1.12 H new ATOM 0 HE21 GLN A 110 9.122 19.491 19.185 1.00 1.12 H new ATOM 0 HE22 GLN A 110 8.269 20.086 20.613 1.00 1.12 H new ATOM 440 N ILE A 111 13.089 20.794 16.210 1.00 1.09 N ATOM 441 CA ILE A 111 13.636 21.936 15.424 1.00 1.09 C ATOM 442 C ILE A 111 12.948 23.230 15.862 1.00 1.09 C ATOM 443 O ILE A 111 11.748 23.378 15.743 1.00 1.09 O ATOM 444 CB ILE A 111 13.379 21.701 13.934 1.00 1.09 C ATOM 445 CG1 ILE A 111 14.079 20.414 13.492 1.00 1.09 C ATOM 446 CG2 ILE A 111 13.927 22.880 13.129 1.00 1.09 C ATOM 447 CD1 ILE A 111 15.567 20.496 13.840 1.00 1.09 C ATOM 0 H ILE A 111 12.545 20.118 15.673 1.00 1.09 H new ATOM 0 HA ILE A 111 14.709 22.016 15.598 1.00 1.09 H new ATOM 0 HB ILE A 111 12.307 21.610 13.761 1.00 1.09 H new ATOM 0 HG12 ILE A 111 13.626 19.554 13.985 1.00 1.09 H new ATOM 0 HG13 ILE A 111 13.953 20.269 12.419 1.00 1.09 H new ATOM 0 HG21 ILE A 111 13.744 22.712 12.068 1.00 1.09 H new ATOM 0 HG22 ILE A 111 13.429 23.798 13.443 1.00 1.09 H new ATOM 0 HG23 ILE A 111 14.999 22.972 13.302 1.00 1.09 H new ATOM 0 HD11 ILE A 111 16.065 19.579 13.525 1.00 1.09 H new ATOM 0 HD12 ILE A 111 16.014 21.347 13.326 1.00 1.09 H new ATOM 0 HD13 ILE A 111 15.683 20.620 14.917 1.00 1.09 H new ATOM 459 N LEU A 112 13.698 24.169 16.370 1.00 2.33 N ATOM 460 CA LEU A 112 13.087 25.453 16.816 1.00 2.33 C ATOM 461 C LEU A 112 13.438 26.557 15.817 1.00 2.33 C ATOM 462 O LEU A 112 12.674 27.476 15.598 1.00 2.33 O ATOM 463 CB LEU A 112 13.628 25.831 18.199 1.00 2.33 C ATOM 464 CG LEU A 112 14.001 24.566 18.976 1.00 2.33 C ATOM 465 CD1 LEU A 112 14.778 24.952 20.235 1.00 2.33 C ATOM 466 CD2 LEU A 112 12.726 23.819 19.373 1.00 2.33 C ATOM 0 H LEU A 112 14.708 24.103 16.496 1.00 2.33 H new ATOM 0 HA LEU A 112 12.005 25.337 16.870 1.00 2.33 H new ATOM 0 HB2 LEU A 112 14.501 26.475 18.094 1.00 2.33 H new ATOM 0 HB3 LEU A 112 12.878 26.399 18.750 1.00 2.33 H new ATOM 0 HG LEU A 112 14.620 23.923 18.350 1.00 2.33 H new ATOM 0 HD11 LEU A 112 15.044 24.052 20.789 1.00 2.33 H new ATOM 0 HD12 LEU A 112 15.685 25.486 19.953 1.00 2.33 H new ATOM 0 HD13 LEU A 112 14.159 25.594 20.862 1.00 2.33 H new ATOM 0 HD21 LEU A 112 12.990 22.918 19.926 1.00 2.33 H new ATOM 0 HD22 LEU A 112 12.108 24.462 20.000 1.00 2.33 H new ATOM 0 HD23 LEU A 112 12.171 23.545 18.476 1.00 2.33 H new ATOM 478 N ASN A 113 14.590 26.475 15.210 1.00 3.11 N ATOM 479 CA ASN A 113 14.991 27.520 14.227 1.00 3.11 C ATOM 480 C ASN A 113 15.740 26.869 13.062 1.00 3.11 C ATOM 481 O ASN A 113 16.907 26.548 13.165 1.00 3.11 O ATOM 482 CB ASN A 113 15.904 28.540 14.912 1.00 3.11 C ATOM 483 CG ASN A 113 15.417 29.955 14.598 1.00 3.11 C ATOM 484 OD1 ASN A 113 14.332 30.338 14.988 1.00 3.11 O ATOM 485 ND2 ASN A 113 16.180 30.756 13.905 1.00 3.11 N ATOM 0 H ASN A 113 15.271 25.729 15.353 1.00 3.11 H new ATOM 0 HA ASN A 113 14.100 28.022 13.850 1.00 3.11 H new ATOM 0 HB2 ASN A 113 15.906 28.376 15.990 1.00 3.11 H new ATOM 0 HB3 ASN A 113 16.931 28.413 14.568 1.00 3.11 H new ATOM 0 HD21 ASN A 113 15.865 31.702 13.691 1.00 3.11 H new ATOM 0 HD22 ASN A 113 17.091 30.436 13.577 1.00 3.11 H new ATOM 492 N SER A 114 15.079 26.675 11.954 1.00 3.30 N ATOM 493 CA SER A 114 15.755 26.048 10.784 1.00 3.30 C ATOM 494 C SER A 114 16.256 27.144 9.843 1.00 3.30 C ATOM 495 O SER A 114 17.439 27.407 9.751 1.00 3.30 O ATOM 496 CB SER A 114 14.764 25.151 10.042 1.00 3.30 C ATOM 497 OG SER A 114 13.467 25.325 10.596 1.00 3.30 O ATOM 0 H SER A 114 14.100 26.924 11.809 1.00 3.30 H new ATOM 0 HA SER A 114 16.598 25.448 11.127 1.00 3.30 H new ATOM 0 HB2 SER A 114 14.755 25.400 8.981 1.00 3.30 H new ATOM 0 HB3 SER A 114 15.069 24.108 10.122 1.00 3.30 H new ATOM 0 HG SER A 114 12.829 24.752 10.121 1.00 3.30 H new ATOM 503 N SER A 115 15.362 27.788 9.147 1.00 16.70 N ATOM 504 CA SER A 115 15.779 28.872 8.213 1.00 16.70 C ATOM 505 C SER A 115 16.807 28.330 7.219 1.00 16.70 C ATOM 506 O SER A 115 17.787 28.981 6.916 1.00 16.70 O ATOM 507 CB SER A 115 16.398 30.020 9.009 1.00 16.70 C ATOM 508 OG SER A 115 17.046 30.916 8.115 1.00 16.70 O ATOM 0 H SER A 115 14.358 27.611 9.184 1.00 16.70 H new ATOM 0 HA SER A 115 14.907 29.233 7.669 1.00 16.70 H new ATOM 0 HB2 SER A 115 15.626 30.545 9.572 1.00 16.70 H new ATOM 0 HB3 SER A 115 17.113 29.631 9.734 1.00 16.70 H new ATOM 0 HG SER A 115 17.798 30.460 7.682 1.00 16.70 H new ATOM 514 N GLU A 116 16.588 27.145 6.710 1.00 40.00 N ATOM 515 CA GLU A 116 17.548 26.554 5.731 1.00 40.00 C ATOM 516 C GLU A 116 18.984 26.856 6.165 1.00 40.00 C ATOM 517 O GLU A 116 19.239 27.203 7.301 1.00 40.00 O ATOM 518 CB GLU A 116 17.292 27.149 4.343 1.00 40.00 C ATOM 519 CG GLU A 116 17.436 28.671 4.400 1.00 40.00 C ATOM 520 CD GLU A 116 17.346 29.247 2.986 1.00 40.00 C ATOM 521 OE1 GLU A 116 18.258 29.009 2.212 1.00 40.00 O ATOM 522 OE2 GLU A 116 16.367 29.917 2.702 1.00 40.00 O ATOM 0 H GLU A 116 15.783 26.559 6.931 1.00 40.00 H new ATOM 0 HA GLU A 116 17.407 25.474 5.695 1.00 40.00 H new ATOM 0 HB2 GLU A 116 17.997 26.734 3.623 1.00 40.00 H new ATOM 0 HB3 GLU A 116 16.292 26.881 4.001 1.00 40.00 H new ATOM 0 HG2 GLU A 116 16.654 29.097 5.028 1.00 40.00 H new ATOM 0 HG3 GLU A 116 18.390 28.940 4.853 1.00 40.00 H new ATOM 529 N GLY A 117 19.925 26.726 5.271 1.00 31.11 N ATOM 530 CA GLY A 117 21.343 27.004 5.635 1.00 31.11 C ATOM 531 C GLY A 117 22.137 25.697 5.632 1.00 31.11 C ATOM 532 O GLY A 117 22.750 25.335 4.647 1.00 31.11 O ATOM 0 H GLY A 117 19.773 26.439 4.304 1.00 31.11 H new ATOM 0 HA2 GLY A 117 21.780 27.709 4.927 1.00 31.11 H new ATOM 0 HA3 GLY A 117 21.392 27.469 6.619 1.00 31.11 H new ATOM 536 N ASP A 118 22.132 24.987 6.726 1.00 7.49 N ATOM 537 CA ASP A 118 22.886 23.704 6.787 1.00 7.49 C ATOM 538 C ASP A 118 22.910 23.197 8.231 1.00 7.49 C ATOM 539 O ASP A 118 22.939 22.009 8.482 1.00 7.49 O ATOM 540 CB ASP A 118 24.320 23.931 6.302 1.00 7.49 C ATOM 541 CG ASP A 118 24.515 23.251 4.946 1.00 7.49 C ATOM 542 OD1 ASP A 118 23.724 22.380 4.622 1.00 7.49 O ATOM 543 OD2 ASP A 118 25.451 23.614 4.253 1.00 7.49 O ATOM 0 H ASP A 118 21.638 25.240 7.581 1.00 7.49 H new ATOM 0 HA ASP A 118 22.400 22.965 6.149 1.00 7.49 H new ATOM 0 HB2 ASP A 118 24.522 24.999 6.217 1.00 7.49 H new ATOM 0 HB3 ASP A 118 25.028 23.530 7.027 1.00 7.49 H new ATOM 548 N TRP A 119 22.898 24.091 9.182 1.00 4.02 N ATOM 549 CA TRP A 119 22.919 23.661 10.608 1.00 4.02 C ATOM 550 C TRP A 119 21.652 24.157 11.307 1.00 4.02 C ATOM 551 O TRP A 119 21.501 25.330 11.582 1.00 4.02 O ATOM 552 CB TRP A 119 24.149 24.251 11.300 1.00 4.02 C ATOM 553 CG TRP A 119 25.385 23.628 10.733 1.00 4.02 C ATOM 554 CD1 TRP A 119 26.168 24.185 9.781 1.00 4.02 C ATOM 555 CD2 TRP A 119 25.989 22.344 11.062 1.00 4.02 C ATOM 556 NE1 TRP A 119 27.216 23.325 9.505 1.00 4.02 N ATOM 557 CE2 TRP A 119 27.150 22.177 10.269 1.00 4.02 C ATOM 558 CE3 TRP A 119 25.647 21.318 11.964 1.00 4.02 C ATOM 559 CZ2 TRP A 119 27.943 21.032 10.367 1.00 4.02 C ATOM 560 CZ3 TRP A 119 26.442 20.164 12.065 1.00 4.02 C ATOM 561 CH2 TRP A 119 27.588 20.022 11.268 1.00 4.02 C ATOM 0 H TRP A 119 22.875 25.100 9.033 1.00 4.02 H new ATOM 0 HA TRP A 119 22.961 22.573 10.660 1.00 4.02 H new ATOM 0 HB2 TRP A 119 24.176 25.332 11.159 1.00 4.02 H new ATOM 0 HB3 TRP A 119 24.097 24.071 12.374 1.00 4.02 H new ATOM 0 HD1 TRP A 119 26.002 25.144 9.313 1.00 4.02 H new ATOM 0 HE1 TRP A 119 27.948 23.516 8.821 1.00 4.02 H new ATOM 0 HE3 TRP A 119 24.767 21.419 12.582 1.00 4.02 H new ATOM 0 HZ2 TRP A 119 28.824 20.927 9.752 1.00 4.02 H new ATOM 0 HZ3 TRP A 119 26.170 19.383 12.759 1.00 4.02 H new ATOM 0 HH2 TRP A 119 28.196 19.133 11.350 1.00 4.02 H new ATOM 572 N TRP A 120 20.737 23.271 11.593 1.00 2.23 N ATOM 573 CA TRP A 120 19.479 23.692 12.271 1.00 2.23 C ATOM 574 C TRP A 120 19.659 23.607 13.788 1.00 2.23 C ATOM 575 O TRP A 120 20.515 22.901 14.283 1.00 2.23 O ATOM 576 CB TRP A 120 18.338 22.763 11.849 1.00 2.23 C ATOM 577 CG TRP A 120 17.811 23.186 10.516 1.00 2.23 C ATOM 578 CD1 TRP A 120 18.237 24.262 9.815 1.00 2.23 C ATOM 579 CD2 TRP A 120 16.769 22.561 9.713 1.00 2.23 C ATOM 580 NE1 TRP A 120 17.521 24.338 8.633 1.00 2.23 N ATOM 581 CE2 TRP A 120 16.605 23.311 8.524 1.00 2.23 C ATOM 582 CE3 TRP A 120 15.957 21.426 9.901 1.00 2.23 C ATOM 583 CZ2 TRP A 120 15.668 22.946 7.555 1.00 2.23 C ATOM 584 CZ3 TRP A 120 15.013 21.056 8.929 1.00 2.23 C ATOM 585 CH2 TRP A 120 14.870 21.815 7.758 1.00 2.23 C ATOM 0 H TRP A 120 20.807 22.275 11.386 1.00 2.23 H new ATOM 0 HA TRP A 120 19.244 24.718 11.988 1.00 2.23 H new ATOM 0 HB2 TRP A 120 18.693 21.734 11.800 1.00 2.23 H new ATOM 0 HB3 TRP A 120 17.540 22.790 12.591 1.00 2.23 H new ATOM 0 HD1 TRP A 120 19.010 24.949 10.127 1.00 2.23 H new ATOM 0 HE1 TRP A 120 17.654 25.064 7.929 1.00 2.23 H new ATOM 0 HE3 TRP A 120 16.061 20.836 10.799 1.00 2.23 H new ATOM 0 HZ2 TRP A 120 15.560 23.533 6.655 1.00 2.23 H new ATOM 0 HZ3 TRP A 120 14.395 20.184 9.084 1.00 2.23 H new ATOM 0 HH2 TRP A 120 14.144 21.526 7.013 1.00 2.23 H new ATOM 596 N GLU A 121 18.852 24.315 14.529 1.00 1.61 N ATOM 597 CA GLU A 121 18.968 24.270 16.014 1.00 1.61 C ATOM 598 C GLU A 121 17.888 23.338 16.565 1.00 1.61 C ATOM 599 O GLU A 121 16.719 23.666 16.572 1.00 1.61 O ATOM 600 CB GLU A 121 18.771 25.675 16.595 1.00 1.61 C ATOM 601 CG GLU A 121 19.209 26.726 15.572 1.00 1.61 C ATOM 602 CD GLU A 121 19.306 28.092 16.253 1.00 1.61 C ATOM 603 OE1 GLU A 121 18.874 28.198 17.389 1.00 1.61 O ATOM 604 OE2 GLU A 121 19.811 29.010 15.626 1.00 1.61 O ATOM 0 H GLU A 121 18.116 24.923 14.170 1.00 1.61 H new ATOM 0 HA GLU A 121 19.956 23.905 16.293 1.00 1.61 H new ATOM 0 HB2 GLU A 121 17.724 25.826 16.859 1.00 1.61 H new ATOM 0 HB3 GLU A 121 19.350 25.784 17.512 1.00 1.61 H new ATOM 0 HG2 GLU A 121 20.173 26.452 15.144 1.00 1.61 H new ATOM 0 HG3 GLU A 121 18.495 26.768 14.749 1.00 1.61 H new ATOM 611 N ALA A 122 18.263 22.173 17.018 1.00 2.84 N ATOM 612 CA ALA A 122 17.246 21.226 17.555 1.00 2.84 C ATOM 613 C ALA A 122 17.510 20.963 19.038 1.00 2.84 C ATOM 614 O ALA A 122 18.634 20.998 19.496 1.00 2.84 O ATOM 615 CB ALA A 122 17.323 19.907 16.784 1.00 2.84 C ATOM 0 H ALA A 122 19.226 21.837 17.039 1.00 2.84 H new ATOM 0 HA ALA A 122 16.254 21.663 17.440 1.00 2.84 H new ATOM 0 HB1 ALA A 122 16.580 19.213 17.176 1.00 2.84 H new ATOM 0 HB2 ALA A 122 17.127 20.091 15.728 1.00 2.84 H new ATOM 0 HB3 ALA A 122 18.318 19.476 16.899 1.00 2.84 H new ATOM 621 N ARG A 123 16.478 20.695 19.791 1.00 1.99 N ATOM 622 CA ARG A 123 16.663 20.424 21.244 1.00 1.99 C ATOM 623 C ARG A 123 16.529 18.922 21.497 1.00 1.99 C ATOM 624 O ARG A 123 15.556 18.303 21.115 1.00 1.99 O ATOM 625 CB ARG A 123 15.594 21.175 22.042 1.00 1.99 C ATOM 626 CG ARG A 123 16.179 21.626 23.382 1.00 1.99 C ATOM 627 CD ARG A 123 15.439 20.926 24.524 1.00 1.99 C ATOM 628 NE ARG A 123 14.016 21.371 24.540 1.00 1.99 N ATOM 629 CZ ARG A 123 13.658 22.386 25.278 1.00 1.99 C ATOM 630 NH1 ARG A 123 14.559 23.215 25.729 1.00 1.99 N ATOM 631 NH2 ARG A 123 12.399 22.572 25.564 1.00 1.99 N ATOM 0 H ARG A 123 15.514 20.652 19.462 1.00 1.99 H new ATOM 0 HA ARG A 123 17.651 20.760 21.557 1.00 1.99 H new ATOM 0 HB2 ARG A 123 15.243 22.039 21.477 1.00 1.99 H new ATOM 0 HB3 ARG A 123 14.730 20.531 22.209 1.00 1.99 H new ATOM 0 HG2 ARG A 123 17.242 21.390 23.425 1.00 1.99 H new ATOM 0 HG3 ARG A 123 16.089 22.707 23.485 1.00 1.99 H new ATOM 0 HD2 ARG A 123 15.492 19.845 24.397 1.00 1.99 H new ATOM 0 HD3 ARG A 123 15.915 21.159 25.477 1.00 1.99 H new ATOM 0 HE ARG A 123 13.322 20.882 23.974 1.00 1.99 H new ATOM 0 HH11 ARG A 123 15.543 23.070 25.505 1.00 1.99 H new ATOM 0 HH12 ARG A 123 14.279 24.008 26.306 1.00 1.99 H new ATOM 0 HH21 ARG A 123 11.695 21.924 25.211 1.00 1.99 H new ATOM 0 HH22 ARG A 123 12.119 23.365 26.141 1.00 1.99 H new ATOM 645 N SER A 124 17.500 18.329 22.136 1.00 2.77 N ATOM 646 CA SER A 124 17.428 16.866 22.408 1.00 2.77 C ATOM 647 C SER A 124 16.337 16.591 23.445 1.00 2.77 C ATOM 648 O SER A 124 16.368 17.107 24.545 1.00 2.77 O ATOM 649 CB SER A 124 18.774 16.380 22.945 1.00 2.77 C ATOM 650 OG SER A 124 19.356 15.482 22.009 1.00 2.77 O ATOM 0 H SER A 124 18.340 18.794 22.481 1.00 2.77 H new ATOM 0 HA SER A 124 17.192 16.337 21.484 1.00 2.77 H new ATOM 0 HB2 SER A 124 19.438 17.227 23.115 1.00 2.77 H new ATOM 0 HB3 SER A 124 18.638 15.884 23.906 1.00 2.77 H new ATOM 0 HG SER A 124 20.220 15.170 22.349 1.00 2.77 H new ATOM 656 N LEU A 125 15.372 15.781 23.104 1.00 4.66 N ATOM 657 CA LEU A 125 14.282 15.472 24.072 1.00 4.66 C ATOM 658 C LEU A 125 14.786 14.453 25.096 1.00 4.66 C ATOM 659 O LEU A 125 14.208 14.280 26.150 1.00 4.66 O ATOM 660 CB LEU A 125 13.082 14.890 23.321 1.00 4.66 C ATOM 661 CG LEU A 125 12.384 15.999 22.532 1.00 4.66 C ATOM 662 CD1 LEU A 125 11.697 15.398 21.304 1.00 4.66 C ATOM 663 CD2 LEU A 125 11.337 16.674 23.420 1.00 4.66 C ATOM 0 H LEU A 125 15.291 15.320 22.198 1.00 4.66 H new ATOM 0 HA LEU A 125 13.981 16.385 24.585 1.00 4.66 H new ATOM 0 HB2 LEU A 125 13.411 14.101 22.645 1.00 4.66 H new ATOM 0 HB3 LEU A 125 12.385 14.436 24.025 1.00 4.66 H new ATOM 0 HG LEU A 125 13.121 16.736 22.212 1.00 4.66 H new ATOM 0 HD11 LEU A 125 11.200 16.189 20.742 1.00 4.66 H new ATOM 0 HD12 LEU A 125 12.441 14.915 20.670 1.00 4.66 H new ATOM 0 HD13 LEU A 125 10.960 14.661 21.624 1.00 4.66 H new ATOM 0 HD21 LEU A 125 10.839 17.465 22.859 1.00 4.66 H new ATOM 0 HD22 LEU A 125 10.601 15.936 23.739 1.00 4.66 H new ATOM 0 HD23 LEU A 125 11.824 17.103 24.296 1.00 4.66 H new ATOM 675 N THR A 126 15.860 13.776 24.792 1.00 8.10 N ATOM 676 CA THR A 126 16.401 12.769 25.748 1.00 8.10 C ATOM 677 C THR A 126 17.278 13.470 26.786 1.00 8.10 C ATOM 678 O THR A 126 17.050 13.370 27.976 1.00 8.10 O ATOM 679 CB THR A 126 17.239 11.740 24.984 1.00 8.10 C ATOM 680 OG1 THR A 126 16.403 11.022 24.088 1.00 8.10 O ATOM 681 CG2 THR A 126 17.884 10.769 25.974 1.00 8.10 C ATOM 0 H THR A 126 16.386 13.877 23.924 1.00 8.10 H new ATOM 0 HA THR A 126 15.575 12.265 26.251 1.00 8.10 H new ATOM 0 HB THR A 126 18.019 12.252 24.421 1.00 8.10 H new ATOM 0 HG1 THR A 126 16.938 10.364 23.597 1.00 8.10 H new ATOM 0 HG21 THR A 126 18.480 10.037 25.429 1.00 8.10 H new ATOM 0 HG22 THR A 126 18.526 11.322 26.660 1.00 8.10 H new ATOM 0 HG23 THR A 126 17.106 10.255 26.539 1.00 8.10 H new ATOM 689 N THR A 127 18.281 14.181 26.347 1.00 11.83 N ATOM 690 CA THR A 127 19.172 14.888 27.309 1.00 11.83 C ATOM 691 C THR A 127 18.549 16.235 27.683 1.00 11.83 C ATOM 692 O THR A 127 18.574 16.645 28.827 1.00 11.83 O ATOM 693 CB THR A 127 20.539 15.122 26.661 1.00 11.83 C ATOM 694 OG1 THR A 127 20.382 15.223 25.253 1.00 11.83 O ATOM 695 CG2 THR A 127 21.468 13.953 26.991 1.00 11.83 C ATOM 0 H THR A 127 18.521 14.302 25.363 1.00 11.83 H new ATOM 0 HA THR A 127 19.294 14.281 28.206 1.00 11.83 H new ATOM 0 HB THR A 127 20.971 16.046 27.046 1.00 11.83 H new ATOM 0 HG1 THR A 127 21.256 15.375 24.836 1.00 11.83 H new ATOM 0 HG21 THR A 127 22.441 14.120 26.529 1.00 11.83 H new ATOM 0 HG22 THR A 127 21.587 13.877 28.072 1.00 11.83 H new ATOM 0 HG23 THR A 127 21.039 13.028 26.607 1.00 11.83 H new ATOM 703 N GLY A 128 17.992 16.927 26.728 1.00 7.32 N ATOM 704 CA GLY A 128 17.369 18.247 27.029 1.00 7.32 C ATOM 705 C GLY A 128 18.294 19.368 26.551 1.00 7.32 C ATOM 706 O GLY A 128 17.897 20.512 26.448 1.00 7.32 O ATOM 0 H GLY A 128 17.941 16.636 25.752 1.00 7.32 H new ATOM 0 HA2 GLY A 128 16.400 18.325 26.535 1.00 7.32 H new ATOM 0 HA3 GLY A 128 17.190 18.341 28.100 1.00 7.32 H new ATOM 710 N GLU A 129 19.525 19.050 26.259 1.00 12.85 N ATOM 711 CA GLU A 129 20.474 20.097 25.788 1.00 12.85 C ATOM 712 C GLU A 129 20.184 20.427 24.322 1.00 12.85 C ATOM 713 O GLU A 129 20.021 19.548 23.499 1.00 12.85 O ATOM 714 CB GLU A 129 21.909 19.582 25.919 1.00 12.85 C ATOM 715 CG GLU A 129 22.467 19.963 27.292 1.00 12.85 C ATOM 716 CD GLU A 129 23.919 19.495 27.400 1.00 12.85 C ATOM 717 OE1 GLU A 129 24.198 18.388 26.970 1.00 12.85 O ATOM 718 OE2 GLU A 129 24.728 20.252 27.911 1.00 12.85 O ATOM 0 H GLU A 129 19.915 18.110 26.326 1.00 12.85 H new ATOM 0 HA GLU A 129 20.353 20.995 26.394 1.00 12.85 H new ATOM 0 HB2 GLU A 129 21.931 18.499 25.794 1.00 12.85 H new ATOM 0 HB3 GLU A 129 22.532 20.006 25.131 1.00 12.85 H new ATOM 0 HG2 GLU A 129 22.410 21.042 27.433 1.00 12.85 H new ATOM 0 HG3 GLU A 129 21.867 19.507 28.080 1.00 12.85 H new ATOM 725 N THR A 130 20.119 21.687 23.989 1.00 3.33 N ATOM 726 CA THR A 130 19.840 22.070 22.577 1.00 3.33 C ATOM 727 C THR A 130 21.153 22.422 21.876 1.00 3.33 C ATOM 728 O THR A 130 22.080 22.917 22.486 1.00 3.33 O ATOM 729 CB THR A 130 18.905 23.282 22.550 1.00 3.33 C ATOM 730 OG1 THR A 130 18.480 23.520 21.216 1.00 3.33 O ATOM 731 CG2 THR A 130 19.645 24.511 23.080 1.00 3.33 C ATOM 0 H THR A 130 20.247 22.467 24.634 1.00 3.33 H new ATOM 0 HA THR A 130 19.365 21.235 22.062 1.00 3.33 H new ATOM 0 HB THR A 130 18.036 23.086 23.178 1.00 3.33 H new ATOM 0 HG1 THR A 130 18.591 22.703 20.687 1.00 3.33 H new ATOM 0 HG21 THR A 130 18.979 25.373 23.060 1.00 3.33 H new ATOM 0 HG22 THR A 130 19.970 24.327 24.104 1.00 3.33 H new ATOM 0 HG23 THR A 130 20.515 24.710 22.454 1.00 3.33 H new ATOM 739 N GLY A 131 21.241 22.170 20.599 1.00 1.10 N ATOM 740 CA GLY A 131 22.496 22.490 19.861 1.00 1.10 C ATOM 741 C GLY A 131 22.188 22.657 18.372 1.00 1.10 C ATOM 742 O GLY A 131 21.063 22.907 17.985 1.00 1.10 O ATOM 0 H GLY A 131 20.499 21.757 20.035 1.00 1.10 H new ATOM 0 HA2 GLY A 131 22.939 23.404 20.256 1.00 1.10 H new ATOM 0 HA3 GLY A 131 23.227 21.694 20.004 1.00 1.10 H new ATOM 746 N TYR A 132 23.179 22.521 17.534 1.00 1.98 N ATOM 747 CA TYR A 132 22.944 22.674 16.071 1.00 1.98 C ATOM 748 C TYR A 132 23.225 21.346 15.364 1.00 1.98 C ATOM 749 O TYR A 132 24.355 20.911 15.268 1.00 1.98 O ATOM 750 CB TYR A 132 23.876 23.752 15.515 1.00 1.98 C ATOM 751 CG TYR A 132 23.510 25.091 16.109 1.00 1.98 C ATOM 752 CD1 TYR A 132 24.103 25.512 17.307 1.00 1.98 C ATOM 753 CD2 TYR A 132 22.578 25.914 15.462 1.00 1.98 C ATOM 754 CE1 TYR A 132 23.764 26.756 17.858 1.00 1.98 C ATOM 755 CE2 TYR A 132 22.239 27.157 16.013 1.00 1.98 C ATOM 756 CZ TYR A 132 22.832 27.578 17.211 1.00 1.98 C ATOM 757 OH TYR A 132 22.497 28.802 17.753 1.00 1.98 O ATOM 0 H TYR A 132 24.141 22.311 17.800 1.00 1.98 H new ATOM 0 HA TYR A 132 21.907 22.964 15.900 1.00 1.98 H new ATOM 0 HB2 TYR A 132 24.912 23.509 15.751 1.00 1.98 H new ATOM 0 HB3 TYR A 132 23.797 23.791 14.429 1.00 1.98 H new ATOM 0 HD1 TYR A 132 24.821 24.878 17.806 1.00 1.98 H new ATOM 0 HD2 TYR A 132 22.121 25.590 14.539 1.00 1.98 H new ATOM 0 HE1 TYR A 132 24.221 27.080 18.781 1.00 1.98 H new ATOM 0 HE2 TYR A 132 21.521 27.791 15.514 1.00 1.98 H new ATOM 0 HH TYR A 132 21.838 29.245 17.178 1.00 1.98 H new ATOM 767 N ILE A 133 22.206 20.701 14.866 1.00 1.74 N ATOM 768 CA ILE A 133 22.416 19.404 14.162 1.00 1.74 C ATOM 769 C ILE A 133 22.254 19.615 12.653 1.00 1.74 C ATOM 770 O ILE A 133 21.619 20.560 12.228 1.00 1.74 O ATOM 771 CB ILE A 133 21.382 18.387 14.648 1.00 1.74 C ATOM 772 CG1 ILE A 133 19.975 18.910 14.350 1.00 1.74 C ATOM 773 CG2 ILE A 133 21.538 18.179 16.156 1.00 1.74 C ATOM 774 CD1 ILE A 133 18.967 17.765 14.474 1.00 1.74 C ATOM 0 H ILE A 133 21.237 21.016 14.916 1.00 1.74 H new ATOM 0 HA ILE A 133 23.418 19.031 14.374 1.00 1.74 H new ATOM 0 HB ILE A 133 21.536 17.439 14.133 1.00 1.74 H new ATOM 0 HG12 ILE A 133 19.719 19.711 15.044 1.00 1.74 H new ATOM 0 HG13 ILE A 133 19.938 19.334 13.346 1.00 1.74 H new ATOM 0 HG21 ILE A 133 20.801 17.454 16.502 1.00 1.74 H new ATOM 0 HG22 ILE A 133 22.540 17.808 16.370 1.00 1.74 H new ATOM 0 HG23 ILE A 133 21.384 19.127 16.672 1.00 1.74 H new ATOM 0 HD11 ILE A 133 17.965 18.138 14.262 1.00 1.74 H new ATOM 0 HD12 ILE A 133 19.220 16.979 13.763 1.00 1.74 H new ATOM 0 HD13 ILE A 133 18.997 17.362 15.486 1.00 1.74 H new ATOM 786 N PRO A 134 22.835 18.726 11.888 1.00 1.51 N ATOM 787 CA PRO A 134 22.768 18.794 10.418 1.00 1.51 C ATOM 788 C PRO A 134 21.312 18.714 9.952 1.00 1.51 C ATOM 789 O PRO A 134 20.596 17.788 10.277 1.00 1.51 O ATOM 790 CB PRO A 134 23.562 17.574 9.931 1.00 1.51 C ATOM 791 CG PRO A 134 24.078 16.818 11.182 1.00 1.51 C ATOM 792 CD PRO A 134 23.601 17.587 12.424 1.00 1.51 C ATOM 0 HA PRO A 134 23.173 19.726 10.025 1.00 1.51 H new ATOM 0 HB2 PRO A 134 22.931 16.924 9.325 1.00 1.51 H new ATOM 0 HB3 PRO A 134 24.396 17.886 9.302 1.00 1.51 H new ATOM 0 HG2 PRO A 134 23.697 15.797 11.195 1.00 1.51 H new ATOM 0 HG3 PRO A 134 25.166 16.753 11.167 1.00 1.51 H new ATOM 0 HD2 PRO A 134 22.981 16.959 13.064 1.00 1.51 H new ATOM 0 HD3 PRO A 134 24.443 17.925 13.028 1.00 1.51 H new ATOM 800 N SER A 135 20.868 19.679 9.193 1.00 1.64 N ATOM 801 CA SER A 135 19.460 19.657 8.708 1.00 1.64 C ATOM 802 C SER A 135 19.260 18.465 7.771 1.00 1.64 C ATOM 803 O SER A 135 18.201 17.871 7.722 1.00 1.64 O ATOM 804 CB SER A 135 19.161 20.954 7.954 1.00 1.64 C ATOM 805 OG SER A 135 20.038 21.063 6.841 1.00 1.64 O ATOM 0 H SER A 135 21.420 20.481 8.888 1.00 1.64 H new ATOM 0 HA SER A 135 18.785 19.566 9.559 1.00 1.64 H new ATOM 0 HB2 SER A 135 18.124 20.962 7.617 1.00 1.64 H new ATOM 0 HB3 SER A 135 19.287 21.811 8.616 1.00 1.64 H new ATOM 0 HG SER A 135 19.848 21.892 6.355 1.00 1.64 H new ATOM 811 N ASN A 136 20.270 18.109 7.025 1.00 2.26 N ATOM 812 CA ASN A 136 20.138 16.955 6.091 1.00 2.26 C ATOM 813 C ASN A 136 20.177 15.647 6.885 1.00 2.26 C ATOM 814 O ASN A 136 19.920 14.583 6.359 1.00 2.26 O ATOM 815 CB ASN A 136 21.292 16.976 5.087 1.00 2.26 C ATOM 816 CG ASN A 136 20.733 16.929 3.664 1.00 2.26 C ATOM 817 OD1 ASN A 136 20.636 17.943 3.003 1.00 2.26 O ATOM 818 ND2 ASN A 136 20.359 15.784 3.161 1.00 2.26 N ATOM 0 H ASN A 136 21.181 18.568 7.022 1.00 2.26 H new ATOM 0 HA ASN A 136 19.190 17.028 5.557 1.00 2.26 H new ATOM 0 HB2 ASN A 136 21.891 17.877 5.224 1.00 2.26 H new ATOM 0 HB3 ASN A 136 21.952 16.125 5.258 1.00 2.26 H new ATOM 0 HD21 ASN A 136 19.985 15.741 2.213 1.00 2.26 H new ATOM 0 HD22 ASN A 136 20.440 14.932 3.716 1.00 2.26 H new ATOM 825 N TYR A 137 20.497 15.718 8.148 1.00 1.43 N ATOM 826 CA TYR A 137 20.552 14.478 8.973 1.00 1.43 C ATOM 827 C TYR A 137 19.243 14.320 9.751 1.00 1.43 C ATOM 828 O TYR A 137 19.109 13.448 10.586 1.00 1.43 O ATOM 829 CB TYR A 137 21.720 14.572 9.958 1.00 1.43 C ATOM 830 CG TYR A 137 22.957 13.973 9.332 1.00 1.43 C ATOM 831 CD1 TYR A 137 23.292 14.281 8.007 1.00 1.43 C ATOM 832 CD2 TYR A 137 23.770 13.108 10.078 1.00 1.43 C ATOM 833 CE1 TYR A 137 24.440 13.725 7.427 1.00 1.43 C ATOM 834 CE2 TYR A 137 24.918 12.553 9.498 1.00 1.43 C ATOM 835 CZ TYR A 137 25.253 12.861 8.173 1.00 1.43 C ATOM 836 OH TYR A 137 26.384 12.314 7.602 1.00 1.43 O ATOM 0 H TYR A 137 20.723 16.580 8.644 1.00 1.43 H new ATOM 0 HA TYR A 137 20.693 13.616 8.321 1.00 1.43 H new ATOM 0 HB2 TYR A 137 21.902 15.613 10.224 1.00 1.43 H new ATOM 0 HB3 TYR A 137 21.475 14.045 10.880 1.00 1.43 H new ATOM 0 HD1 TYR A 137 22.665 14.947 7.433 1.00 1.43 H new ATOM 0 HD2 TYR A 137 23.511 12.870 11.099 1.00 1.43 H new ATOM 0 HE1 TYR A 137 24.698 13.962 6.405 1.00 1.43 H new ATOM 0 HE2 TYR A 137 25.545 11.887 10.073 1.00 1.43 H new ATOM 0 HH TYR A 137 26.835 11.739 8.255 1.00 1.43 H new ATOM 846 N VAL A 138 18.277 15.157 9.486 1.00 1.01 N ATOM 847 CA VAL A 138 16.981 15.052 10.213 1.00 1.01 C ATOM 848 C VAL A 138 15.825 15.134 9.214 1.00 1.01 C ATOM 849 O VAL A 138 15.956 15.695 8.144 1.00 1.01 O ATOM 850 CB VAL A 138 16.867 16.197 11.221 1.00 1.01 C ATOM 851 CG1 VAL A 138 17.810 15.940 12.397 1.00 1.01 C ATOM 852 CG2 VAL A 138 17.249 17.513 10.540 1.00 1.01 C ATOM 0 H VAL A 138 18.330 15.908 8.798 1.00 1.01 H new ATOM 0 HA VAL A 138 16.937 14.099 10.740 1.00 1.01 H new ATOM 0 HB VAL A 138 15.842 16.259 11.586 1.00 1.01 H new ATOM 0 HG11 VAL A 138 17.728 16.756 13.114 1.00 1.01 H new ATOM 0 HG12 VAL A 138 17.539 15.002 12.882 1.00 1.01 H new ATOM 0 HG13 VAL A 138 18.836 15.878 12.034 1.00 1.01 H new ATOM 0 HG21 VAL A 138 17.168 18.330 11.257 1.00 1.01 H new ATOM 0 HG22 VAL A 138 18.274 17.450 10.175 1.00 1.01 H new ATOM 0 HG23 VAL A 138 16.577 17.698 9.702 1.00 1.01 H new ATOM 862 N ALA A 139 14.694 14.582 9.556 1.00 2.46 N ATOM 863 CA ALA A 139 13.530 14.629 8.628 1.00 2.46 C ATOM 864 C ALA A 139 12.232 14.688 9.441 1.00 2.46 C ATOM 865 O ALA A 139 12.159 14.149 10.527 1.00 2.46 O ATOM 866 CB ALA A 139 13.525 13.376 7.750 1.00 2.46 C ATOM 0 H ALA A 139 14.526 14.100 10.439 1.00 2.46 H new ATOM 0 HA ALA A 139 13.605 15.514 7.996 1.00 2.46 H new ATOM 0 HB1 ALA A 139 12.673 13.411 7.071 1.00 2.46 H new ATOM 0 HB2 ALA A 139 14.448 13.333 7.172 1.00 2.46 H new ATOM 0 HB3 ALA A 139 13.450 12.490 8.381 1.00 2.46 H new ATOM 872 N PRO A 140 11.244 15.345 8.886 1.00 4.22 N ATOM 873 CA PRO A 140 9.933 15.492 9.543 1.00 4.22 C ATOM 874 C PRO A 140 9.299 14.117 9.773 1.00 4.22 C ATOM 875 O PRO A 140 9.287 13.273 8.899 1.00 4.22 O ATOM 876 CB PRO A 140 9.091 16.317 8.559 1.00 4.22 C ATOM 877 CG PRO A 140 9.978 16.629 7.326 1.00 4.22 C ATOM 878 CD PRO A 140 11.354 15.991 7.566 1.00 4.22 C ATOM 0 HA PRO A 140 10.009 15.972 10.519 1.00 4.22 H new ATOM 0 HB2 PRO A 140 8.201 15.763 8.260 1.00 4.22 H new ATOM 0 HB3 PRO A 140 8.750 17.240 9.028 1.00 4.22 H new ATOM 0 HG2 PRO A 140 9.525 16.230 6.418 1.00 4.22 H new ATOM 0 HG3 PRO A 140 10.075 17.706 7.187 1.00 4.22 H new ATOM 0 HD2 PRO A 140 11.594 15.265 6.789 1.00 4.22 H new ATOM 0 HD3 PRO A 140 12.145 16.741 7.557 1.00 4.22 H new ATOM 886 N VAL A 141 8.772 13.885 10.945 1.00 7.97 N ATOM 887 CA VAL A 141 8.140 12.567 11.230 1.00 7.97 C ATOM 888 C VAL A 141 6.808 12.467 10.484 1.00 7.97 C ATOM 889 O VAL A 141 6.208 13.502 10.243 1.00 7.97 O ATOM 890 CB VAL A 141 7.893 12.435 12.734 1.00 7.97 C ATOM 891 CG1 VAL A 141 6.985 13.572 13.204 1.00 7.97 C ATOM 892 CG2 VAL A 141 7.218 11.092 13.023 1.00 7.97 C ATOM 0 H VAL A 141 8.752 14.552 11.717 1.00 7.97 H new ATOM 0 HA VAL A 141 8.803 11.767 10.898 1.00 7.97 H new ATOM 0 HB VAL A 141 8.844 12.487 13.264 1.00 7.97 H new ATOM 0 HG11 VAL A 141 6.809 13.478 14.276 1.00 7.97 H new ATOM 0 HG12 VAL A 141 7.464 14.529 12.998 1.00 7.97 H new ATOM 0 HG13 VAL A 141 6.034 13.521 12.674 1.00 7.97 H new ATOM 0 HG21 VAL A 141 7.041 10.997 14.094 1.00 7.97 H new ATOM 0 HG22 VAL A 141 6.267 11.041 12.493 1.00 7.97 H new ATOM 0 HG23 VAL A 141 7.864 10.281 12.688 1.00 7.97 H new TER 902 VAL A 141 END