USER MOD reduce.3.24.130724 H: found=0, std=0, add=539, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 540 hydrogens (0 hets) HEADER COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE) 18-NOV-97 1AZG TITLE NMR STUDY OF THE SH3 DOMAIN FROM FYN PROTO-ONCOGENE TITLE 2 TYROSINE KINASE KINASE COMPLEXED WITH THE SYNTHETIC TITLE 3 PEPTIDE P2L CORRESPONDING TO RESIDUES 91-104 OF THE P85 TITLE 4 SUBUNIT OF PI3-KINASE, MINIMIZED AVERAGE (PROBMAP) TITLE 5 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PRO-PRO-ARG-PRO-LEU-PRO-VAL-ALA-PRO-GLY-SER-SER- COMPND 3 LYS-THR; COMPND 4 CHAIN: A; COMPND 5 FRAGMENT: P85 SUBUNIT OF PI3-KINASE, RESIDUES 91 - 104; COMPND 6 SYNONYM: P2L; COMPND 7 ENGINEERED: YES; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: FYN; COMPND 0 CHAIN: B; COMPND 1 FRAGMENT: SH3 DOMAIN, RESIDUES 82 - 148; COMPND 2 EC: 2.7.1.112; COMPND 3 ENGINEERED: YES; COMPND 4 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 MOL_ID: 2; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 CELL_LINE: BL21; SOURCE 7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 8 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 0 EXPRESSION_SYSTEM_PLASMID: PGEX KEYWDS COMPLEX (PHOSPHOTRANSFERASE/PEPTIDE), SH3 DOMAIN, KEYWDS 2 POLYPROLINE-BINDING, PHOSPHOTRANSFERASE EXPDTA SOLUTION NMR AUTHOR D.A.RENZONI,D.J.R.PUGH,G.SILIGARDI,P.DAS,C.J.MORTON,C.ROSSI, AUTHOR 2 M.D.WATERFIELD,I.D.CAMPBELL,J.E.LADBURY REVDAT 2 24-FEB-09 1AZG 1 VERSN REVDAT 1 25-FEB-98 1AZG 0 JRNL AUTH D.A.RENZONI,D.J.PUGH,G.SILIGARDI,P.DAS,C.J.MORTON, JRNL AUTH 2 C.ROSSI,M.D.WATERFIELD,I.D.CAMPBELL,J.E.LADBURY JRNL TITL STRUCTURAL AND THERMODYNAMIC CHARACTERIZATION OF JRNL TITL 2 THE INTERACTION OF THE SH3 DOMAIN FROM FYN WITH JRNL TITL 3 THE PROLINE-RICH BINDING SITE ON THE P85 SUBUNIT JRNL TITL 4 OF PI3-KINASE. JRNL REF BIOCHEMISTRY V. 35 15646 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8961927 JRNL DOI 10.1021/BI9620969 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH C.J.MORTON,D.J.PUGH,E.L.BROWN,J.D.KAHMANN, REMARK 1 AUTH 2 D.A.RENZONI,I.D.CAMPBELL REMARK 1 TITL SOLUTION STRUCTURE AND PEPTIDE BINDING OF THE SH3 REMARK 1 TITL 2 DOMAIN FROM HUMAN FYN REMARK 1 REF STRUCTURE V. 4 705 1996 REMARK 1 REFN ISSN 0969-2126 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: REFINEMENT DETAILS CAN BE FOUND IN REMARK 3 THE JRNL CITATION ABOVE. REMARK 4 REMARK 4 1AZG 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 : 50 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 B 82 REMARK 465 GLY B 83 REMARK 465 ASP B 142 REMARK 465 SER B 143 REMARK 465 ILE B 144 REMARK 465 GLN B 145 REMARK 465 ALA B 146 REMARK 465 GLU B 147 REMARK 465 GLU B 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 LEU A 95 98.40 67.31 REMARK 500 PRO A 96 98.10 -61.17 REMARK 500 ALA A 98 173.05 -47.51 REMARK 500 PRO A 99 83.30 -60.78 REMARK 500 THR B 85 71.58 -152.64 REMARK 500 ALA B 95 106.10 -56.28 REMARK 500 ASP B 100 -176.51 -64.57 REMARK 500 PHE B 103 -172.34 -174.58 REMARK 500 GLU B 116 -153.36 -57.23 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 93 0.29 SIDE_CHAIN REMARK 500 ARG B 123 0.13 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL DBREF 1AZG A 91 104 UNP P27986 P85A_HUMAN 91 104 DBREF 1AZG B 82 148 UNP P06241 FYN_HUMAN 81 147 SEQRES 1 A 14 PRO PRO ARG PRO LEU PRO VAL ALA PRO GLY SER SER LYS SEQRES 2 A 14 THR SEQRES 1 B 67 THR GLY VAL THR LEU PHE VAL ALA LEU TYR ASP TYR GLU SEQRES 2 B 67 ALA ARG THR GLU ASP ASP LEU SER PHE HIS LYS GLY GLU SEQRES 3 B 67 LYS PHE GLN ILE LEU ASN SER SER GLU GLY ASP TRP TRP SEQRES 4 B 67 GLU ALA ARG SER LEU THR THR GLY GLU THR GLY TYR ILE SEQRES 5 B 67 PRO SER ASN TYR VAL ALA PRO VAL ASP SER ILE GLN ALA SEQRES 6 B 67 GLU GLU HELIX 1 HA PRO B 134 TYR B 137 5 4 SHEET 1 S1 3 LYS B 108 LEU B 112 0 SHEET 2 S1 3 LEU B 86 ALA B 89 -1 N PHE B 87 O PHE B 109 SHEET 3 S1 3 VAL B 138 PRO B 140 -1 O ALA B 139 N VAL B 88 SHEET 1 S2 3 ASN B 113 SER B 114 0 SHEET 2 S2 3 TRP B 119 SER B 124 -1 N GLU B 121 O ASN B 113 SHEET 3 S2 3 THR B 130 ILE B 133 -1 O ILE B 133 N TRP B 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 Set 1.1: B 124 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 127 THR OG1 : rot -179:sc= -1.91! USER MOD Set 2.1: B 113 ASN : amide:sc= 0 X(o=0,f=0.037) USER MOD Set 2.2: B 115 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 56:sc= -0.355! USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : B 85 THR OG1 : rot 180:sc= -0.0588 USER MOD Single : B 91 TYR OH : rot 180:sc= 0 USER MOD Single : B 93 TYR OH : rot 180:sc= 0 USER MOD Single : B 97 THR OG1 : rot -122:sc= 1.54 USER MOD Single : B 102 SER OG : rot 180:sc= 0 USER MOD Single : B 104 HIS :FLIP no HD1:sc= -0.373 F(o=-1.2,f=-0.37) USER MOD Single : B 105 LYS NZ :NH3+ 142:sc= -0.273 (180deg=-0.658) USER MOD Single : B 108 LYS NZ :NH3+ -157:sc= -0.092 (180deg=-0.992) USER MOD Single : B 110 GLN :FLIP amide:sc= -0.409 F(o=-2.4,f=-0.41) USER MOD Single : B 114 SER OG : rot 180:sc= 0 USER MOD Single : B 126 THR OG1 : rot 180:sc= 0 USER MOD Single : B 130 THR OG1 : rot 180:sc= 0 USER MOD Single : B 132 TYR OH : rot 180:sc= 0 USER MOD Single : B 135 SER OG : rot -104:sc= 0.822 USER MOD Single : B 136 ASN :FLIP amide:sc= -2.19 F(o=-4.7!,f=-2.2) USER MOD Single : B 137 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 91 26.420 31.767 11.491 1.00 5.18 N ATOM 2 CA PRO A 91 27.777 31.140 11.422 1.00 4.49 C ATOM 3 C PRO A 91 27.643 29.663 11.040 1.00 3.46 C ATOM 4 O PRO A 91 26.556 29.120 11.035 1.00 3.53 O ATOM 5 CB PRO A 91 28.431 31.261 12.798 1.00 5.19 C ATOM 6 CG PRO A 91 27.442 31.977 13.708 1.00 6.23 C ATOM 7 CD PRO A 91 26.200 32.292 12.874 1.00 6.18 C ATOM 0 HA PRO A 91 28.387 31.642 10.671 1.00 4.49 H new ATOM 0 HB2 PRO A 91 28.675 30.276 13.195 1.00 5.19 H new ATOM 0 HB3 PRO A 91 29.365 31.818 12.732 1.00 5.19 H new ATOM 0 HG2 PRO A 91 27.183 31.351 14.561 1.00 6.23 H new ATOM 0 HG3 PRO A 91 27.880 32.893 14.106 1.00 6.23 H new ATOM 0 HD2 PRO A 91 25.317 31.833 13.319 1.00 6.18 H new ATOM 0 HD3 PRO A 91 26.022 33.367 12.849 1.00 6.18 H new ATOM 17 N PRO A 92 28.762 29.061 10.733 1.00 3.01 N ATOM 18 CA PRO A 92 28.812 27.641 10.341 1.00 2.60 C ATOM 19 C PRO A 92 28.304 26.760 11.486 1.00 2.06 C ATOM 20 O PRO A 92 28.887 26.714 12.551 1.00 2.44 O ATOM 21 CB PRO A 92 30.296 27.364 10.064 1.00 3.19 C ATOM 22 CG PRO A 92 31.077 28.680 10.317 1.00 3.75 C ATOM 23 CD PRO A 92 30.063 29.750 10.750 1.00 3.65 C ATOM 0 HA PRO A 92 28.187 27.425 9.475 1.00 2.60 H new ATOM 0 HB2 PRO A 92 30.664 26.570 10.713 1.00 3.19 H new ATOM 0 HB3 PRO A 92 30.437 27.027 9.037 1.00 3.19 H new ATOM 0 HG2 PRO A 92 31.832 28.534 11.089 1.00 3.75 H new ATOM 0 HG3 PRO A 92 31.601 28.993 9.414 1.00 3.75 H new ATOM 0 HD2 PRO A 92 30.294 30.136 11.743 1.00 3.65 H new ATOM 0 HD3 PRO A 92 30.070 30.601 10.068 1.00 3.65 H new ATOM 31 N ARG A 93 27.221 26.061 11.276 1.00 1.67 N ATOM 32 CA ARG A 93 26.679 25.187 12.353 1.00 1.34 C ATOM 33 C ARG A 93 27.825 24.409 13.006 1.00 1.12 C ATOM 34 O ARG A 93 28.677 23.875 12.324 1.00 1.57 O ATOM 35 CB ARG A 93 25.674 24.201 11.753 1.00 1.72 C ATOM 36 CG ARG A 93 24.399 24.946 11.351 1.00 2.65 C ATOM 37 CD ARG A 93 23.936 25.831 12.509 1.00 3.48 C ATOM 38 NE ARG A 93 24.531 27.189 12.363 1.00 4.46 N ATOM 39 CZ ARG A 93 24.895 27.859 13.422 1.00 5.18 C ATOM 40 NH1 ARG A 93 23.996 28.283 14.268 1.00 5.86 N ATOM 41 NH2 ARG A 93 26.159 28.105 13.637 1.00 5.56 N ATOM 0 H ARG A 93 26.689 26.058 10.405 1.00 1.67 H new ATOM 0 HA ARG A 93 26.183 25.803 13.103 1.00 1.34 H new ATOM 0 HB2 ARG A 93 26.108 23.708 10.883 1.00 1.72 H new ATOM 0 HB3 ARG A 93 25.438 23.421 12.477 1.00 1.72 H new ATOM 0 HG2 ARG A 93 24.585 25.555 10.466 1.00 2.65 H new ATOM 0 HG3 ARG A 93 23.617 24.234 11.089 1.00 2.65 H new ATOM 0 HD2 ARG A 93 22.848 25.898 12.518 1.00 3.48 H new ATOM 0 HD3 ARG A 93 24.236 25.391 13.460 1.00 3.48 H new ATOM 0 HE ARG A 93 24.654 27.595 11.435 1.00 4.46 H new ATOM 0 HH11 ARG A 93 23.008 28.091 14.102 1.00 5.86 H new ATOM 0 HH12 ARG A 93 24.281 28.807 15.096 1.00 5.86 H new ATOM 0 HH21 ARG A 93 26.863 27.773 12.977 1.00 5.56 H new ATOM 0 HH22 ARG A 93 26.443 28.629 14.465 1.00 5.56 H new ATOM 55 N PRO A 94 27.808 24.368 14.313 1.00 1.18 N ATOM 56 CA PRO A 94 28.839 23.658 15.090 1.00 1.56 C ATOM 57 C PRO A 94 28.823 22.166 14.748 1.00 1.10 C ATOM 58 O PRO A 94 29.783 21.627 14.232 1.00 1.48 O ATOM 59 CB PRO A 94 28.446 23.878 16.558 1.00 2.29 C ATOM 60 CG PRO A 94 27.156 24.738 16.576 1.00 2.46 C ATOM 61 CD PRO A 94 26.765 25.025 15.118 1.00 1.72 C ATOM 0 HA PRO A 94 29.844 24.022 14.876 1.00 1.56 H new ATOM 0 HB2 PRO A 94 28.276 22.923 17.056 1.00 2.29 H new ATOM 0 HB3 PRO A 94 29.249 24.381 17.098 1.00 2.29 H new ATOM 0 HG2 PRO A 94 26.352 24.211 17.091 1.00 2.46 H new ATOM 0 HG3 PRO A 94 27.325 25.669 17.117 1.00 2.46 H new ATOM 0 HD2 PRO A 94 25.777 24.626 14.887 1.00 1.72 H new ATOM 0 HD3 PRO A 94 26.730 26.097 14.921 1.00 1.72 H new ATOM 69 N LEU A 95 27.740 21.495 15.030 1.00 0.83 N ATOM 70 CA LEU A 95 27.664 20.040 14.720 1.00 0.47 C ATOM 71 C LEU A 95 28.646 19.277 15.616 1.00 0.46 C ATOM 72 O LEU A 95 29.825 19.215 15.328 1.00 0.52 O ATOM 73 CB LEU A 95 28.031 19.814 13.251 1.00 0.89 C ATOM 74 CG LEU A 95 26.811 19.286 12.495 1.00 0.69 C ATOM 75 CD1 LEU A 95 26.996 19.526 10.995 1.00 1.34 C ATOM 76 CD2 LEU A 95 26.662 17.785 12.756 1.00 1.34 C ATOM 0 H LEU A 95 26.905 21.891 15.461 1.00 0.83 H new ATOM 0 HA LEU A 95 26.651 19.680 14.901 1.00 0.47 H new ATOM 0 HB2 LEU A 95 28.374 20.747 12.803 1.00 0.89 H new ATOM 0 HB3 LEU A 95 28.854 19.103 13.176 1.00 0.89 H new ATOM 0 HG LEU A 95 25.917 19.807 12.838 1.00 0.69 H new ATOM 0 HD11 LEU A 95 26.126 19.150 10.456 1.00 1.34 H new ATOM 0 HD12 LEU A 95 27.104 20.594 10.808 1.00 1.34 H new ATOM 0 HD13 LEU A 95 27.889 19.005 10.651 1.00 1.34 H new ATOM 0 HD21 LEU A 95 25.793 17.407 12.218 1.00 1.34 H new ATOM 0 HD22 LEU A 95 27.556 17.265 12.412 1.00 1.34 H new ATOM 0 HD23 LEU A 95 26.531 17.613 13.824 1.00 1.34 H new ATOM 88 N PRO A 96 28.126 18.719 16.679 1.00 0.46 N ATOM 89 CA PRO A 96 28.936 17.951 17.641 1.00 0.56 C ATOM 90 C PRO A 96 29.577 16.746 16.949 1.00 0.64 C ATOM 91 O PRO A 96 28.956 15.717 16.771 1.00 1.20 O ATOM 92 CB PRO A 96 27.939 17.490 18.714 1.00 0.62 C ATOM 93 CG PRO A 96 26.539 18.026 18.318 1.00 0.57 C ATOM 94 CD PRO A 96 26.692 18.809 17.004 1.00 0.47 C ATOM 0 HA PRO A 96 29.749 18.541 18.064 1.00 0.56 H new ATOM 0 HB2 PRO A 96 27.927 16.402 18.783 1.00 0.62 H new ATOM 0 HB3 PRO A 96 28.230 17.868 19.694 1.00 0.62 H new ATOM 0 HG2 PRO A 96 25.836 17.203 18.193 1.00 0.57 H new ATOM 0 HG3 PRO A 96 26.140 18.669 19.102 1.00 0.57 H new ATOM 0 HD2 PRO A 96 26.079 18.378 16.213 1.00 0.47 H new ATOM 0 HD3 PRO A 96 26.377 19.846 17.122 1.00 0.47 H new ATOM 102 N VAL A 97 30.815 16.865 16.555 1.00 1.04 N ATOM 103 CA VAL A 97 31.493 15.727 15.874 1.00 1.16 C ATOM 104 C VAL A 97 31.188 14.428 16.622 1.00 1.16 C ATOM 105 O VAL A 97 31.428 14.312 17.807 1.00 1.86 O ATOM 106 CB VAL A 97 33.003 15.965 15.862 1.00 1.40 C ATOM 107 CG1 VAL A 97 33.712 14.712 15.346 1.00 2.30 C ATOM 108 CG2 VAL A 97 33.326 17.147 14.945 1.00 1.97 C ATOM 0 H VAL A 97 31.386 17.701 16.675 1.00 1.04 H new ATOM 0 HA VAL A 97 31.129 15.650 14.849 1.00 1.16 H new ATOM 0 HB VAL A 97 33.344 16.186 16.873 1.00 1.40 H new ATOM 0 HG11 VAL A 97 34.789 14.881 15.337 1.00 2.30 H new ATOM 0 HG12 VAL A 97 33.482 13.869 15.998 1.00 2.30 H new ATOM 0 HG13 VAL A 97 33.371 14.492 14.334 1.00 2.30 H new ATOM 0 HG21 VAL A 97 34.403 17.317 14.936 1.00 1.97 H new ATOM 0 HG22 VAL A 97 32.985 16.926 13.933 1.00 1.97 H new ATOM 0 HG23 VAL A 97 32.821 18.041 15.311 1.00 1.97 H new ATOM 118 N ALA A 98 30.663 13.449 15.938 1.00 0.98 N ATOM 119 CA ALA A 98 30.346 12.157 16.609 1.00 1.04 C ATOM 120 C ALA A 98 31.546 11.712 17.450 1.00 1.25 C ATOM 121 O ALA A 98 32.597 12.319 17.397 1.00 1.55 O ATOM 122 CB ALA A 98 30.041 11.096 15.549 1.00 1.29 C ATOM 0 H ALA A 98 30.440 13.488 14.943 1.00 0.98 H new ATOM 0 HA ALA A 98 29.478 12.284 17.256 1.00 1.04 H new ATOM 0 HB1 ALA A 98 29.809 10.150 16.038 1.00 1.29 H new ATOM 0 HB2 ALA A 98 29.187 11.414 14.951 1.00 1.29 H new ATOM 0 HB3 ALA A 98 30.909 10.967 14.903 1.00 1.29 H new ATOM 128 N PRO A 99 31.348 10.663 18.204 1.00 1.43 N ATOM 129 CA PRO A 99 32.399 10.108 19.076 1.00 1.95 C ATOM 130 C PRO A 99 33.605 9.662 18.244 1.00 2.19 C ATOM 131 O PRO A 99 33.745 8.502 17.909 1.00 2.53 O ATOM 132 CB PRO A 99 31.742 8.902 19.762 1.00 2.19 C ATOM 133 CG PRO A 99 30.285 8.800 19.243 1.00 1.90 C ATOM 134 CD PRO A 99 30.061 9.948 18.247 1.00 1.42 C ATOM 0 HA PRO A 99 32.768 10.840 19.795 1.00 1.95 H new ATOM 0 HB2 PRO A 99 32.292 7.988 19.538 1.00 2.19 H new ATOM 0 HB3 PRO A 99 31.754 9.025 20.845 1.00 2.19 H new ATOM 0 HG2 PRO A 99 30.118 7.837 18.760 1.00 1.90 H new ATOM 0 HG3 PRO A 99 29.579 8.869 20.070 1.00 1.90 H new ATOM 0 HD2 PRO A 99 29.785 9.570 17.263 1.00 1.42 H new ATOM 0 HD3 PRO A 99 29.254 10.604 18.574 1.00 1.42 H new ATOM 142 N GLY A 100 34.479 10.573 17.913 1.00 2.57 N ATOM 143 CA GLY A 100 35.678 10.202 17.108 1.00 3.04 C ATOM 144 C GLY A 100 35.276 9.224 16.003 1.00 3.84 C ATOM 145 O GLY A 100 34.121 9.121 15.641 1.00 4.33 O ATOM 0 H GLY A 100 34.415 11.559 18.165 1.00 2.57 H new ATOM 0 HA2 GLY A 100 36.125 11.095 16.671 1.00 3.04 H new ATOM 0 HA3 GLY A 100 36.433 9.749 17.750 1.00 3.04 H new ATOM 149 N SER A 101 36.222 8.505 15.463 1.00 4.46 N ATOM 150 CA SER A 101 35.897 7.533 14.382 1.00 5.57 C ATOM 151 C SER A 101 35.350 6.245 15.000 1.00 6.22 C ATOM 152 O SER A 101 36.028 5.238 15.061 1.00 6.58 O ATOM 153 CB SER A 101 37.162 7.217 13.585 1.00 5.96 C ATOM 154 OG SER A 101 37.476 8.320 12.745 1.00 6.51 O ATOM 0 H SER A 101 37.207 8.549 15.724 1.00 4.46 H new ATOM 0 HA SER A 101 35.147 7.965 13.719 1.00 5.57 H new ATOM 0 HB2 SER A 101 37.991 7.014 14.263 1.00 5.96 H new ATOM 0 HB3 SER A 101 37.013 6.319 12.985 1.00 5.96 H new ATOM 0 HG SER A 101 38.288 8.121 12.234 1.00 6.51 H new ATOM 160 N SER A 102 34.129 6.266 15.458 1.00 6.70 N ATOM 161 CA SER A 102 33.544 5.041 16.071 1.00 7.63 C ATOM 162 C SER A 102 34.525 4.466 17.093 1.00 8.36 C ATOM 163 O SER A 102 34.981 3.346 16.970 1.00 8.51 O ATOM 164 CB SER A 102 33.278 4.003 14.980 1.00 7.96 C ATOM 165 OG SER A 102 34.255 4.137 13.956 1.00 8.19 O ATOM 0 H SER A 102 33.512 7.078 15.434 1.00 6.70 H new ATOM 0 HA SER A 102 32.607 5.294 16.568 1.00 7.63 H new ATOM 0 HB2 SER A 102 33.312 2.998 15.402 1.00 7.96 H new ATOM 0 HB3 SER A 102 32.279 4.141 14.566 1.00 7.96 H new ATOM 0 HG SER A 102 35.151 4.064 14.347 1.00 8.19 H new ATOM 171 N LYS A 103 34.855 5.224 18.102 1.00 9.05 N ATOM 172 CA LYS A 103 35.807 4.722 19.132 1.00 9.97 C ATOM 173 C LYS A 103 35.025 4.191 20.335 1.00 10.64 C ATOM 174 O LYS A 103 34.157 4.856 20.865 1.00 11.03 O ATOM 175 CB LYS A 103 36.720 5.865 19.582 1.00 10.46 C ATOM 176 CG LYS A 103 37.018 6.778 18.391 1.00 10.65 C ATOM 177 CD LYS A 103 38.513 7.099 18.354 1.00 11.08 C ATOM 178 CE LYS A 103 38.984 7.171 16.900 1.00 11.51 C ATOM 179 NZ LYS A 103 40.406 6.733 16.817 1.00 12.12 N ATOM 0 H LYS A 103 34.506 6.170 18.258 1.00 9.05 H new ATOM 0 HA LYS A 103 36.410 3.919 18.708 1.00 9.97 H new ATOM 0 HB2 LYS A 103 36.242 6.434 20.380 1.00 10.46 H new ATOM 0 HB3 LYS A 103 37.649 5.465 19.988 1.00 10.46 H new ATOM 0 HG2 LYS A 103 36.717 6.292 17.463 1.00 10.65 H new ATOM 0 HG3 LYS A 103 36.440 7.698 18.471 1.00 10.65 H new ATOM 0 HD2 LYS A 103 38.705 8.047 18.857 1.00 11.08 H new ATOM 0 HD3 LYS A 103 39.073 6.334 18.891 1.00 11.08 H new ATOM 0 HE2 LYS A 103 38.359 6.536 16.272 1.00 11.51 H new ATOM 0 HE3 LYS A 103 38.883 8.189 16.524 1.00 11.51 H new ATOM 0 HZ1 LYS A 103 40.727 6.782 15.829 1.00 12.12 H new ATOM 0 HZ2 LYS A 103 40.996 7.357 17.404 1.00 12.12 H new ATOM 0 HZ3 LYS A 103 40.489 5.755 17.160 1.00 12.12 H new ATOM 193 N THR A 104 35.323 2.997 20.769 1.00 10.98 N ATOM 194 CA THR A 104 34.595 2.426 21.936 1.00 11.84 C ATOM 195 C THR A 104 33.120 2.245 21.574 1.00 12.12 C ATOM 196 O THR A 104 32.290 2.848 22.234 1.00 12.45 O ATOM 197 CB THR A 104 34.715 3.379 23.127 1.00 12.14 C ATOM 198 OG1 THR A 104 36.031 3.912 23.176 1.00 12.03 O ATOM 199 CG2 THR A 104 34.422 2.620 24.422 1.00 12.75 C ATOM 200 OXT THR A 104 32.845 1.508 20.641 1.00 12.18 O ATOM 0 H THR A 104 36.039 2.393 20.366 1.00 10.98 H new ATOM 0 HA THR A 104 35.027 1.460 22.199 1.00 11.84 H new ATOM 0 HB THR A 104 33.998 4.192 23.015 1.00 12.14 H new ATOM 0 HG1 THR A 104 36.108 4.524 23.938 1.00 12.03 H new ATOM 0 HG21 THR A 104 34.508 3.300 25.270 1.00 12.75 H new ATOM 0 HG22 THR A 104 33.412 2.213 24.384 1.00 12.75 H new ATOM 0 HG23 THR A 104 35.137 1.806 24.536 1.00 12.75 H new TER 208 THR A 104 ATOM 209 N VAL B 84 6.184 9.580 5.554 1.00 1.61 N ATOM 210 CA VAL B 84 6.867 8.882 6.680 1.00 1.12 C ATOM 211 C VAL B 84 8.312 9.373 6.783 1.00 1.03 C ATOM 212 O VAL B 84 9.088 9.250 5.855 1.00 1.23 O ATOM 213 CB VAL B 84 6.858 7.374 6.425 1.00 1.68 C ATOM 214 CG1 VAL B 84 7.772 7.050 5.242 1.00 2.43 C ATOM 215 CG2 VAL B 84 7.362 6.643 7.672 1.00 2.55 C ATOM 0 HA VAL B 84 6.343 9.096 7.612 1.00 1.12 H new ATOM 0 HB VAL B 84 5.842 7.051 6.198 1.00 1.68 H new ATOM 0 HG11 VAL B 84 7.765 5.975 5.061 1.00 2.43 H new ATOM 0 HG12 VAL B 84 7.415 7.570 4.353 1.00 2.43 H new ATOM 0 HG13 VAL B 84 8.788 7.373 5.468 1.00 2.43 H new ATOM 0 HG21 VAL B 84 7.356 5.568 7.491 1.00 2.55 H new ATOM 0 HG22 VAL B 84 8.378 6.967 7.898 1.00 2.55 H new ATOM 0 HG23 VAL B 84 6.712 6.873 8.516 1.00 2.55 H new ATOM 224 N THR B 85 8.681 9.931 7.904 1.00 0.84 N ATOM 225 CA THR B 85 10.077 10.429 8.064 1.00 0.86 C ATOM 226 C THR B 85 10.466 10.393 9.543 1.00 0.65 C ATOM 227 O THR B 85 10.585 11.416 10.189 1.00 0.82 O ATOM 228 CB THR B 85 10.168 11.867 7.545 1.00 1.14 C ATOM 229 OG1 THR B 85 8.917 12.249 6.992 1.00 1.66 O ATOM 230 CG2 THR B 85 11.252 11.956 6.470 1.00 1.64 C ATOM 0 H THR B 85 8.077 10.063 8.715 1.00 0.84 H new ATOM 0 HA THR B 85 10.757 9.794 7.496 1.00 0.86 H new ATOM 0 HB THR B 85 10.421 12.535 8.368 1.00 1.14 H new ATOM 0 HG1 THR B 85 8.973 13.170 6.661 1.00 1.66 H new ATOM 0 HG21 THR B 85 11.316 12.980 6.101 1.00 1.64 H new ATOM 0 HG22 THR B 85 12.212 11.663 6.896 1.00 1.64 H new ATOM 0 HG23 THR B 85 11.002 11.288 5.645 1.00 1.64 H new ATOM 238 N LEU B 86 10.668 9.223 10.084 1.00 0.47 N ATOM 239 CA LEU B 86 11.051 9.120 11.521 1.00 0.39 C ATOM 240 C LEU B 86 12.565 8.919 11.629 1.00 0.35 C ATOM 241 O LEU B 86 13.121 8.004 11.056 1.00 0.49 O ATOM 242 CB LEU B 86 10.331 7.928 12.156 1.00 0.53 C ATOM 243 CG LEU B 86 9.079 8.417 12.887 1.00 0.75 C ATOM 244 CD1 LEU B 86 9.487 9.345 14.032 1.00 1.43 C ATOM 245 CD2 LEU B 86 8.182 9.179 11.909 1.00 1.41 C ATOM 0 H LEU B 86 10.584 8.333 9.593 1.00 0.47 H new ATOM 0 HA LEU B 86 10.767 10.035 12.041 1.00 0.39 H new ATOM 0 HB2 LEU B 86 10.057 7.204 11.388 1.00 0.53 H new ATOM 0 HB3 LEU B 86 10.996 7.418 12.853 1.00 0.53 H new ATOM 0 HG LEU B 86 8.535 7.562 13.288 1.00 0.75 H new ATOM 0 HD11 LEU B 86 8.595 9.694 14.553 1.00 1.43 H new ATOM 0 HD12 LEU B 86 10.126 8.803 14.729 1.00 1.43 H new ATOM 0 HD13 LEU B 86 10.031 10.200 13.631 1.00 1.43 H new ATOM 0 HD21 LEU B 86 7.290 9.528 12.429 1.00 1.41 H new ATOM 0 HD22 LEU B 86 8.725 10.034 11.508 1.00 1.41 H new ATOM 0 HD23 LEU B 86 7.891 8.519 11.092 1.00 1.41 H new ATOM 257 N PHE B 87 13.237 9.769 12.357 1.00 0.28 N ATOM 258 CA PHE B 87 14.714 9.625 12.497 1.00 0.28 C ATOM 259 C PHE B 87 15.071 9.390 13.966 1.00 0.30 C ATOM 260 O PHE B 87 14.486 9.971 14.858 1.00 0.57 O ATOM 261 CB PHE B 87 15.401 10.900 12.005 1.00 0.32 C ATOM 262 CG PHE B 87 15.045 11.134 10.557 1.00 0.35 C ATOM 263 CD1 PHE B 87 13.746 11.522 10.211 1.00 1.21 C ATOM 264 CD2 PHE B 87 16.014 10.962 9.561 1.00 1.25 C ATOM 265 CE1 PHE B 87 13.414 11.738 8.868 1.00 1.22 C ATOM 266 CE2 PHE B 87 15.682 11.178 8.218 1.00 1.29 C ATOM 267 CZ PHE B 87 14.382 11.566 7.872 1.00 0.50 C ATOM 0 H PHE B 87 12.828 10.556 12.860 1.00 0.28 H new ATOM 0 HA PHE B 87 15.051 8.776 11.902 1.00 0.28 H new ATOM 0 HB2 PHE B 87 15.089 11.751 12.610 1.00 0.32 H new ATOM 0 HB3 PHE B 87 16.482 10.810 12.115 1.00 0.32 H new ATOM 0 HD1 PHE B 87 12.999 11.655 10.980 1.00 1.21 H new ATOM 0 HD2 PHE B 87 17.017 10.663 9.828 1.00 1.25 H new ATOM 0 HE1 PHE B 87 12.411 12.037 8.601 1.00 1.22 H new ATOM 0 HE2 PHE B 87 16.429 11.045 7.449 1.00 1.29 H new ATOM 0 HZ PHE B 87 14.126 11.733 6.836 1.00 0.50 H new ATOM 277 N VAL B 88 16.028 8.541 14.223 1.00 0.25 N ATOM 278 CA VAL B 88 16.423 8.269 15.632 1.00 0.25 C ATOM 279 C VAL B 88 17.773 8.928 15.919 1.00 0.24 C ATOM 280 O VAL B 88 18.576 9.133 15.030 1.00 0.26 O ATOM 281 CB VAL B 88 16.539 6.759 15.847 1.00 0.26 C ATOM 282 CG1 VAL B 88 16.230 6.426 17.307 1.00 0.33 C ATOM 283 CG2 VAL B 88 15.540 6.038 14.938 1.00 0.35 C ATOM 0 H VAL B 88 16.553 8.024 13.517 1.00 0.25 H new ATOM 0 HA VAL B 88 15.668 8.676 16.305 1.00 0.25 H new ATOM 0 HB VAL B 88 17.551 6.434 15.607 1.00 0.26 H new ATOM 0 HG11 VAL B 88 16.313 5.350 17.460 1.00 0.33 H new ATOM 0 HG12 VAL B 88 16.939 6.940 17.955 1.00 0.33 H new ATOM 0 HG13 VAL B 88 15.217 6.750 17.548 1.00 0.33 H new ATOM 0 HG21 VAL B 88 15.621 4.962 15.090 1.00 0.35 H new ATOM 0 HG22 VAL B 88 14.528 6.363 15.179 1.00 0.35 H new ATOM 0 HG23 VAL B 88 15.759 6.275 13.897 1.00 0.35 H new ATOM 293 N ALA B 89 18.031 9.261 17.154 1.00 0.25 N ATOM 294 CA ALA B 89 19.330 9.906 17.495 1.00 0.25 C ATOM 295 C ALA B 89 20.417 8.835 17.602 1.00 0.25 C ATOM 296 O ALA B 89 20.367 7.969 18.453 1.00 0.28 O ATOM 297 CB ALA B 89 19.200 10.640 18.831 1.00 0.26 C ATOM 0 H ALA B 89 17.399 9.114 17.941 1.00 0.25 H new ATOM 0 HA ALA B 89 19.599 10.619 16.715 1.00 0.25 H new ATOM 0 HB1 ALA B 89 20.150 11.112 19.081 1.00 0.26 H new ATOM 0 HB2 ALA B 89 18.425 11.403 18.753 1.00 0.26 H new ATOM 0 HB3 ALA B 89 18.932 9.929 19.612 1.00 0.26 H new ATOM 303 N LEU B 90 21.399 8.885 16.745 1.00 0.24 N ATOM 304 CA LEU B 90 22.488 7.869 16.797 1.00 0.26 C ATOM 305 C LEU B 90 23.401 8.162 17.990 1.00 0.26 C ATOM 306 O LEU B 90 24.252 7.369 18.342 1.00 0.31 O ATOM 307 CB LEU B 90 23.302 7.929 15.504 1.00 0.32 C ATOM 308 CG LEU B 90 22.372 7.737 14.306 1.00 0.32 C ATOM 309 CD1 LEU B 90 22.961 8.445 13.084 1.00 0.44 C ATOM 310 CD2 LEU B 90 22.228 6.243 14.008 1.00 0.43 C ATOM 0 H LEU B 90 21.495 9.586 16.010 1.00 0.24 H new ATOM 0 HA LEU B 90 22.054 6.875 16.907 1.00 0.26 H new ATOM 0 HB2 LEU B 90 23.815 8.888 15.429 1.00 0.32 H new ATOM 0 HB3 LEU B 90 24.070 7.156 15.509 1.00 0.32 H new ATOM 0 HG LEU B 90 21.393 8.159 14.534 1.00 0.32 H new ATOM 0 HD11 LEU B 90 22.298 8.308 12.230 1.00 0.44 H new ATOM 0 HD12 LEU B 90 23.066 9.509 13.295 1.00 0.44 H new ATOM 0 HD13 LEU B 90 23.939 8.023 12.855 1.00 0.44 H new ATOM 0 HD21 LEU B 90 21.565 6.105 13.154 1.00 0.43 H new ATOM 0 HD22 LEU B 90 23.207 5.822 13.780 1.00 0.43 H new ATOM 0 HD23 LEU B 90 21.809 5.737 14.878 1.00 0.43 H new ATOM 322 N TYR B 91 23.231 9.295 18.615 1.00 0.26 N ATOM 323 CA TYR B 91 24.088 9.638 19.784 1.00 0.33 C ATOM 324 C TYR B 91 23.298 10.517 20.756 1.00 0.31 C ATOM 325 O TYR B 91 22.189 10.928 20.475 1.00 0.49 O ATOM 326 CB TYR B 91 25.328 10.398 19.307 1.00 0.41 C ATOM 327 CG TYR B 91 26.058 9.577 18.271 1.00 0.61 C ATOM 328 CD1 TYR B 91 26.961 8.584 18.672 1.00 1.35 C ATOM 329 CD2 TYR B 91 25.834 9.809 16.909 1.00 1.32 C ATOM 330 CE1 TYR B 91 27.639 7.824 17.711 1.00 1.63 C ATOM 331 CE2 TYR B 91 26.511 9.049 15.948 1.00 1.74 C ATOM 332 CZ TYR B 91 27.414 8.056 16.349 1.00 1.58 C ATOM 333 OH TYR B 91 28.082 7.307 15.401 1.00 2.10 O ATOM 0 H TYR B 91 22.535 9.998 18.366 1.00 0.26 H new ATOM 0 HA TYR B 91 24.395 8.721 20.287 1.00 0.33 H new ATOM 0 HB2 TYR B 91 25.037 11.360 18.885 1.00 0.41 H new ATOM 0 HB3 TYR B 91 25.986 10.606 20.151 1.00 0.41 H new ATOM 0 HD1 TYR B 91 27.134 8.405 19.723 1.00 1.35 H new ATOM 0 HD2 TYR B 91 25.138 10.575 16.599 1.00 1.32 H new ATOM 0 HE1 TYR B 91 28.335 7.059 18.021 1.00 1.63 H new ATOM 0 HE2 TYR B 91 26.337 9.228 14.897 1.00 1.74 H new ATOM 0 HH TYR B 91 27.810 7.595 14.505 1.00 2.10 H new ATOM 343 N ASP B 92 23.860 10.809 21.896 1.00 0.36 N ATOM 344 CA ASP B 92 23.141 11.661 22.885 1.00 0.35 C ATOM 345 C ASP B 92 23.524 13.127 22.668 1.00 0.35 C ATOM 346 O ASP B 92 24.422 13.440 21.912 1.00 0.49 O ATOM 347 CB ASP B 92 23.531 11.236 24.302 1.00 0.41 C ATOM 348 CG ASP B 92 25.054 11.148 24.409 1.00 1.10 C ATOM 349 OD1 ASP B 92 25.721 11.679 23.536 1.00 1.85 O ATOM 350 OD2 ASP B 92 25.528 10.552 25.362 1.00 1.88 O ATOM 0 H ASP B 92 24.786 10.495 22.186 1.00 0.36 H new ATOM 0 HA ASP B 92 22.065 11.543 22.753 1.00 0.35 H new ATOM 0 HB2 ASP B 92 23.146 11.953 25.027 1.00 0.41 H new ATOM 0 HB3 ASP B 92 23.083 10.271 24.540 1.00 0.41 H new ATOM 355 N TYR B 93 22.848 14.030 23.326 1.00 0.35 N ATOM 356 CA TYR B 93 23.173 15.474 23.158 1.00 0.35 C ATOM 357 C TYR B 93 22.514 16.276 24.283 1.00 0.34 C ATOM 358 O TYR B 93 21.364 16.069 24.615 1.00 0.42 O ATOM 359 CB TYR B 93 22.646 15.962 21.807 1.00 0.37 C ATOM 360 CG TYR B 93 22.865 17.451 21.686 1.00 0.36 C ATOM 361 CD1 TYR B 93 24.120 17.946 21.312 1.00 1.33 C ATOM 362 CD2 TYR B 93 21.813 18.337 21.948 1.00 1.12 C ATOM 363 CE1 TYR B 93 24.323 19.327 21.199 1.00 1.37 C ATOM 364 CE2 TYR B 93 22.016 19.717 21.835 1.00 1.13 C ATOM 365 CZ TYR B 93 23.271 20.212 21.461 1.00 0.53 C ATOM 366 OH TYR B 93 23.470 21.573 21.350 1.00 0.65 O ATOM 0 H TYR B 93 22.085 13.829 23.972 1.00 0.35 H new ATOM 0 HA TYR B 93 24.254 15.612 23.196 1.00 0.35 H new ATOM 0 HB2 TYR B 93 23.157 15.442 20.997 1.00 0.37 H new ATOM 0 HB3 TYR B 93 21.585 15.732 21.714 1.00 0.37 H new ATOM 0 HD1 TYR B 93 24.932 17.263 21.111 1.00 1.33 H new ATOM 0 HD2 TYR B 93 20.845 17.955 22.237 1.00 1.12 H new ATOM 0 HE1 TYR B 93 25.291 19.709 20.910 1.00 1.37 H new ATOM 0 HE2 TYR B 93 21.204 20.400 22.036 1.00 1.13 H new ATOM 0 HH TYR B 93 22.638 22.044 21.565 1.00 0.65 H new ATOM 376 N GLU B 94 23.235 17.190 24.875 1.00 0.41 N ATOM 377 CA GLU B 94 22.648 18.002 25.980 1.00 0.44 C ATOM 378 C GLU B 94 22.335 19.408 25.466 1.00 0.47 C ATOM 379 O GLU B 94 23.222 20.202 25.223 1.00 0.57 O ATOM 380 CB GLU B 94 23.645 18.097 27.139 1.00 0.50 C ATOM 381 CG GLU B 94 24.695 16.991 27.012 1.00 1.37 C ATOM 382 CD GLU B 94 25.290 16.691 28.389 1.00 1.93 C ATOM 383 OE1 GLU B 94 24.544 16.717 29.353 1.00 2.61 O ATOM 384 OE2 GLU B 94 26.483 16.441 28.455 1.00 2.33 O ATOM 0 H GLU B 94 24.203 17.409 24.642 1.00 0.41 H new ATOM 0 HA GLU B 94 21.732 17.525 26.329 1.00 0.44 H new ATOM 0 HB2 GLU B 94 24.130 19.073 27.135 1.00 0.50 H new ATOM 0 HB3 GLU B 94 23.121 18.006 28.090 1.00 0.50 H new ATOM 0 HG2 GLU B 94 24.242 16.091 26.596 1.00 1.37 H new ATOM 0 HG3 GLU B 94 25.482 17.299 26.324 1.00 1.37 H new ATOM 391 N ALA B 95 21.080 19.724 25.301 1.00 0.52 N ATOM 392 CA ALA B 95 20.713 21.079 24.804 1.00 0.58 C ATOM 393 C ALA B 95 21.316 22.141 25.727 1.00 0.57 C ATOM 394 O ALA B 95 20.853 22.352 26.829 1.00 0.67 O ATOM 395 CB ALA B 95 19.190 21.222 24.789 1.00 0.72 C ATOM 0 H ALA B 95 20.293 19.102 25.489 1.00 0.52 H new ATOM 0 HA ALA B 95 21.100 21.213 23.794 1.00 0.58 H new ATOM 0 HB1 ALA B 95 18.921 22.214 24.425 1.00 0.72 H new ATOM 0 HB2 ALA B 95 18.760 20.466 24.132 1.00 0.72 H new ATOM 0 HB3 ALA B 95 18.802 21.089 25.799 1.00 0.72 H new ATOM 401 N ARG B 96 22.345 22.811 25.285 1.00 0.65 N ATOM 402 CA ARG B 96 22.974 23.858 26.138 1.00 0.79 C ATOM 403 C ARG B 96 22.252 25.190 25.924 1.00 0.77 C ATOM 404 O ARG B 96 22.701 26.230 26.364 1.00 0.93 O ATOM 405 CB ARG B 96 24.449 24.006 25.758 1.00 0.99 C ATOM 406 CG ARG B 96 24.559 24.642 24.370 1.00 1.66 C ATOM 407 CD ARG B 96 25.667 23.954 23.568 1.00 2.18 C ATOM 408 NE ARG B 96 26.649 23.327 24.499 1.00 2.86 N ATOM 409 CZ ARG B 96 27.275 24.060 25.379 1.00 3.67 C ATOM 410 NH1 ARG B 96 27.222 25.362 25.302 1.00 4.16 N ATOM 411 NH2 ARG B 96 27.954 23.489 26.337 1.00 4.34 N ATOM 0 H ARG B 96 22.777 22.679 24.371 1.00 0.65 H new ATOM 0 HA ARG B 96 22.898 23.569 27.186 1.00 0.79 H new ATOM 0 HB2 ARG B 96 24.965 24.623 26.494 1.00 0.99 H new ATOM 0 HB3 ARG B 96 24.936 23.031 25.762 1.00 0.99 H new ATOM 0 HG2 ARG B 96 23.609 24.554 23.844 1.00 1.66 H new ATOM 0 HG3 ARG B 96 24.774 25.707 24.464 1.00 1.66 H new ATOM 0 HD2 ARG B 96 25.237 23.196 22.913 1.00 2.18 H new ATOM 0 HD3 ARG B 96 26.170 24.680 22.929 1.00 2.18 H new ATOM 0 HE ARG B 96 26.832 22.325 24.448 1.00 2.86 H new ATOM 0 HH11 ARG B 96 26.691 25.807 24.554 1.00 4.16 H new ATOM 0 HH12 ARG B 96 27.712 25.934 25.990 1.00 4.16 H new ATOM 0 HH21 ARG B 96 27.995 22.472 26.397 1.00 4.34 H new ATOM 0 HH22 ARG B 96 28.444 24.060 27.025 1.00 4.34 H new ATOM 425 N THR B 97 21.133 25.165 25.252 1.00 0.65 N ATOM 426 CA THR B 97 20.377 26.427 25.010 1.00 0.67 C ATOM 427 C THR B 97 18.878 26.122 24.994 1.00 0.62 C ATOM 428 O THR B 97 18.469 24.978 24.971 1.00 0.64 O ATOM 429 CB THR B 97 20.789 27.020 23.660 1.00 0.70 C ATOM 430 OG1 THR B 97 20.153 26.299 22.614 1.00 1.41 O ATOM 431 CG2 THR B 97 22.307 26.924 23.500 1.00 1.36 C ATOM 0 H THR B 97 20.709 24.324 24.860 1.00 0.65 H new ATOM 0 HA THR B 97 20.598 27.142 25.802 1.00 0.67 H new ATOM 0 HB THR B 97 20.488 28.067 23.615 1.00 0.70 H new ATOM 0 HG1 THR B 97 20.832 25.926 22.014 1.00 1.41 H new ATOM 0 HG21 THR B 97 22.599 27.346 22.539 1.00 1.36 H new ATOM 0 HG22 THR B 97 22.793 27.478 24.303 1.00 1.36 H new ATOM 0 HG23 THR B 97 22.612 25.879 23.545 1.00 1.36 H new ATOM 439 N GLU B 98 18.054 27.134 25.005 1.00 0.65 N ATOM 440 CA GLU B 98 16.583 26.896 24.988 1.00 0.71 C ATOM 441 C GLU B 98 16.132 26.600 23.555 1.00 0.64 C ATOM 442 O GLU B 98 14.963 26.398 23.292 1.00 0.82 O ATOM 443 CB GLU B 98 15.857 28.140 25.509 1.00 0.86 C ATOM 444 CG GLU B 98 15.809 29.207 24.413 1.00 1.61 C ATOM 445 CD GLU B 98 15.085 30.448 24.937 1.00 2.22 C ATOM 446 OE1 GLU B 98 14.833 30.503 26.129 1.00 2.75 O ATOM 447 OE2 GLU B 98 14.793 31.322 24.137 1.00 2.79 O ATOM 0 H GLU B 98 18.335 28.114 25.025 1.00 0.65 H new ATOM 0 HA GLU B 98 16.344 26.045 25.626 1.00 0.71 H new ATOM 0 HB2 GLU B 98 14.845 27.879 25.820 1.00 0.86 H new ATOM 0 HB3 GLU B 98 16.370 28.531 26.388 1.00 0.86 H new ATOM 0 HG2 GLU B 98 16.820 29.468 24.101 1.00 1.61 H new ATOM 0 HG3 GLU B 98 15.295 28.817 23.534 1.00 1.61 H new ATOM 454 N ASP B 99 17.050 26.574 22.628 1.00 0.55 N ATOM 455 CA ASP B 99 16.675 26.293 21.213 1.00 0.58 C ATOM 456 C ASP B 99 16.921 24.815 20.903 1.00 0.60 C ATOM 457 O ASP B 99 16.033 24.103 20.477 1.00 1.14 O ATOM 458 CB ASP B 99 17.526 27.158 20.281 1.00 0.66 C ATOM 459 CG ASP B 99 16.862 28.525 20.102 1.00 1.14 C ATOM 460 OD1 ASP B 99 15.704 28.554 19.720 1.00 1.92 O ATOM 461 OD2 ASP B 99 17.524 29.519 20.352 1.00 1.59 O ATOM 0 H ASP B 99 18.044 26.735 22.789 1.00 0.55 H new ATOM 0 HA ASP B 99 15.620 26.524 21.063 1.00 0.58 H new ATOM 0 HB2 ASP B 99 18.527 27.280 20.695 1.00 0.66 H new ATOM 0 HB3 ASP B 99 17.638 26.667 19.314 1.00 0.66 H new ATOM 466 N ASP B 100 18.122 24.346 21.111 1.00 0.36 N ATOM 467 CA ASP B 100 18.424 22.915 20.826 1.00 0.33 C ATOM 468 C ASP B 100 17.609 22.022 21.765 1.00 0.29 C ATOM 469 O ASP B 100 16.806 22.495 22.545 1.00 0.38 O ATOM 470 CB ASP B 100 19.916 22.655 21.045 1.00 0.42 C ATOM 471 CG ASP B 100 20.736 23.705 20.293 1.00 0.86 C ATOM 472 OD1 ASP B 100 21.025 23.480 19.129 1.00 1.34 O ATOM 473 OD2 ASP B 100 21.062 24.716 20.893 1.00 1.70 O ATOM 0 H ASP B 100 18.907 24.893 21.466 1.00 0.36 H new ATOM 0 HA ASP B 100 18.162 22.689 19.792 1.00 0.33 H new ATOM 0 HB2 ASP B 100 20.149 22.691 22.109 1.00 0.42 H new ATOM 0 HB3 ASP B 100 20.177 21.656 20.695 1.00 0.42 H new ATOM 478 N LEU B 101 17.808 20.733 21.695 1.00 0.27 N ATOM 479 CA LEU B 101 17.043 19.811 22.582 1.00 0.25 C ATOM 480 C LEU B 101 18.013 18.879 23.313 1.00 0.27 C ATOM 481 O LEU B 101 19.213 18.949 23.133 1.00 0.36 O ATOM 482 CB LEU B 101 16.078 18.975 21.739 1.00 0.26 C ATOM 483 CG LEU B 101 15.221 19.902 20.876 1.00 0.28 C ATOM 484 CD1 LEU B 101 15.069 19.301 19.478 1.00 0.32 C ATOM 485 CD2 LEU B 101 13.840 20.057 21.516 1.00 0.43 C ATOM 0 H LEU B 101 18.467 20.279 21.062 1.00 0.27 H new ATOM 0 HA LEU B 101 16.481 20.396 23.310 1.00 0.25 H new ATOM 0 HB2 LEU B 101 16.636 18.284 21.107 1.00 0.26 H new ATOM 0 HB3 LEU B 101 15.442 18.372 22.386 1.00 0.26 H new ATOM 0 HG LEU B 101 15.701 20.878 20.802 1.00 0.28 H new ATOM 0 HD11 LEU B 101 14.458 19.961 18.862 1.00 0.32 H new ATOM 0 HD12 LEU B 101 16.052 19.187 19.022 1.00 0.32 H new ATOM 0 HD13 LEU B 101 14.588 18.326 19.552 1.00 0.32 H new ATOM 0 HD21 LEU B 101 13.227 20.717 20.903 1.00 0.43 H new ATOM 0 HD22 LEU B 101 13.361 19.081 21.588 1.00 0.43 H new ATOM 0 HD23 LEU B 101 13.947 20.484 22.513 1.00 0.43 H new ATOM 497 N SER B 102 17.502 18.005 24.137 1.00 0.29 N ATOM 498 CA SER B 102 18.391 17.067 24.878 1.00 0.34 C ATOM 499 C SER B 102 17.826 15.649 24.775 1.00 0.33 C ATOM 500 O SER B 102 16.630 15.443 24.834 1.00 0.41 O ATOM 501 CB SER B 102 18.460 17.485 26.347 1.00 0.41 C ATOM 502 OG SER B 102 17.221 17.188 26.979 1.00 1.46 O ATOM 0 H SER B 102 16.506 17.900 24.329 1.00 0.29 H new ATOM 0 HA SER B 102 19.392 17.093 24.447 1.00 0.34 H new ATOM 0 HB2 SER B 102 19.272 16.959 26.849 1.00 0.41 H new ATOM 0 HB3 SER B 102 18.674 18.551 26.424 1.00 0.41 H new ATOM 0 HG SER B 102 17.263 17.453 27.921 1.00 1.46 H new ATOM 508 N PHE B 103 18.674 14.669 24.619 1.00 0.30 N ATOM 509 CA PHE B 103 18.174 13.270 24.509 1.00 0.31 C ATOM 510 C PHE B 103 19.355 12.299 24.469 1.00 0.32 C ATOM 511 O PHE B 103 20.493 12.680 24.659 1.00 0.34 O ATOM 512 CB PHE B 103 17.356 13.125 23.225 1.00 0.28 C ATOM 513 CG PHE B 103 18.162 13.637 22.055 1.00 0.23 C ATOM 514 CD1 PHE B 103 18.103 14.991 21.703 1.00 0.90 C ATOM 515 CD2 PHE B 103 18.968 12.758 21.321 1.00 0.94 C ATOM 516 CE1 PHE B 103 18.850 15.466 20.618 1.00 0.90 C ATOM 517 CE2 PHE B 103 19.715 13.233 20.236 1.00 0.94 C ATOM 518 CZ PHE B 103 19.656 14.587 19.884 1.00 0.23 C ATOM 0 H PHE B 103 19.687 14.776 24.563 1.00 0.30 H new ATOM 0 HA PHE B 103 17.549 13.042 25.373 1.00 0.31 H new ATOM 0 HB2 PHE B 103 17.089 12.080 23.067 1.00 0.28 H new ATOM 0 HB3 PHE B 103 16.423 13.683 23.310 1.00 0.28 H new ATOM 0 HD1 PHE B 103 17.481 15.669 22.268 1.00 0.90 H new ATOM 0 HD2 PHE B 103 19.013 11.713 21.592 1.00 0.94 H new ATOM 0 HE1 PHE B 103 18.805 16.511 20.347 1.00 0.90 H new ATOM 0 HE2 PHE B 103 20.337 12.555 19.671 1.00 0.94 H new ATOM 0 HZ PHE B 103 20.232 14.953 19.047 1.00 0.23 H new ATOM 528 N HIS B 104 19.091 11.046 24.220 1.00 0.35 N ATOM 529 CA HIS B 104 20.193 10.045 24.163 1.00 0.38 C ATOM 530 C HIS B 104 19.954 9.098 22.987 1.00 0.35 C ATOM 531 O HIS B 104 18.858 8.999 22.471 1.00 0.38 O ATOM 532 CB HIS B 104 20.221 9.244 25.465 1.00 0.45 C ATOM 533 CG HIS B 104 20.551 10.159 26.611 1.00 1.10 C ATOM 534 ND1 HIS B 104 19.802 11.090 27.287 1.00 1.90 N flip ATOM 535 CD2 HIS B 104 21.805 10.180 27.203 1.00 2.04 C flip ATOM 536 CE1 HIS B 104 20.575 11.681 28.283 1.00 2.55 C flip ATOM 537 NE2 HIS B 104 21.773 11.096 28.188 1.00 2.66 N flip ATOM 0 H HIS B 104 18.157 10.671 24.053 1.00 0.35 H new ATOM 0 HA HIS B 104 21.146 10.557 24.032 1.00 0.38 H new ATOM 0 HB2 HIS B 104 19.255 8.768 25.632 1.00 0.45 H new ATOM 0 HB3 HIS B 104 20.961 8.447 25.398 1.00 0.45 H new ATOM 0 HD2 HIS B 104 22.653 9.572 26.924 1.00 2.04 H new ATOM 0 HE1 HIS B 104 20.272 12.447 28.982 1.00 2.55 H new ATOM 0 HE2 HIS B 104 22.567 11.317 28.789 1.00 2.66 H new ATOM 545 N LYS B 105 20.968 8.399 22.556 1.00 0.36 N ATOM 546 CA LYS B 105 20.791 7.462 21.412 1.00 0.35 C ATOM 547 C LYS B 105 19.568 6.576 21.664 1.00 0.31 C ATOM 548 O LYS B 105 19.345 6.106 22.762 1.00 0.38 O ATOM 549 CB LYS B 105 22.040 6.588 21.267 1.00 0.41 C ATOM 550 CG LYS B 105 22.065 5.530 22.373 1.00 1.26 C ATOM 551 CD LYS B 105 23.154 4.499 22.070 1.00 1.68 C ATOM 552 CE LYS B 105 24.466 5.218 21.754 1.00 2.46 C ATOM 553 NZ LYS B 105 24.796 6.160 22.861 1.00 3.16 N ATOM 0 H LYS B 105 21.910 8.436 22.946 1.00 0.36 H new ATOM 0 HA LYS B 105 20.642 8.032 20.495 1.00 0.35 H new ATOM 0 HB2 LYS B 105 22.046 6.106 20.290 1.00 0.41 H new ATOM 0 HB3 LYS B 105 22.936 7.206 21.322 1.00 0.41 H new ATOM 0 HG2 LYS B 105 22.254 6.001 23.337 1.00 1.26 H new ATOM 0 HG3 LYS B 105 21.094 5.039 22.443 1.00 1.26 H new ATOM 0 HD2 LYS B 105 23.288 3.835 22.924 1.00 1.68 H new ATOM 0 HD3 LYS B 105 22.856 3.877 21.226 1.00 1.68 H new ATOM 0 HE2 LYS B 105 25.270 4.492 21.628 1.00 2.46 H new ATOM 0 HE3 LYS B 105 24.378 5.762 20.814 1.00 2.46 H new ATOM 0 HZ1 LYS B 105 25.823 6.155 23.027 1.00 3.16 H new ATOM 0 HZ2 LYS B 105 24.492 7.120 22.602 1.00 3.16 H new ATOM 0 HZ3 LYS B 105 24.304 5.863 23.728 1.00 3.16 H new ATOM 567 N GLY B 106 18.773 6.346 20.655 1.00 0.29 N ATOM 568 CA GLY B 106 17.566 5.490 20.837 1.00 0.30 C ATOM 569 C GLY B 106 16.324 6.374 20.976 1.00 0.29 C ATOM 570 O GLY B 106 15.212 5.891 21.042 1.00 0.33 O ATOM 0 H GLY B 106 18.907 6.713 19.713 1.00 0.29 H new ATOM 0 HA2 GLY B 106 17.453 4.818 19.986 1.00 0.30 H new ATOM 0 HA3 GLY B 106 17.681 4.866 21.723 1.00 0.30 H new ATOM 574 N GLU B 107 16.504 7.666 21.022 1.00 0.29 N ATOM 575 CA GLU B 107 15.332 8.577 21.158 1.00 0.31 C ATOM 576 C GLU B 107 14.748 8.868 19.773 1.00 0.29 C ATOM 577 O GLU B 107 15.454 9.233 18.855 1.00 0.38 O ATOM 578 CB GLU B 107 15.776 9.887 21.812 1.00 0.36 C ATOM 579 CG GLU B 107 14.558 10.785 22.041 1.00 0.81 C ATOM 580 CD GLU B 107 14.139 10.714 23.510 1.00 1.27 C ATOM 581 OE1 GLU B 107 14.534 9.770 24.174 1.00 2.04 O ATOM 582 OE2 GLU B 107 13.430 11.605 23.947 1.00 1.93 O ATOM 0 H GLU B 107 17.411 8.130 20.971 1.00 0.29 H new ATOM 0 HA GLU B 107 14.573 8.102 21.779 1.00 0.31 H new ATOM 0 HB2 GLU B 107 16.273 9.682 22.760 1.00 0.36 H new ATOM 0 HB3 GLU B 107 16.501 10.395 21.176 1.00 0.36 H new ATOM 0 HG2 GLU B 107 14.795 11.814 21.769 1.00 0.81 H new ATOM 0 HG3 GLU B 107 13.734 10.468 21.401 1.00 0.81 H new ATOM 589 N LYS B 108 13.462 8.710 19.617 1.00 0.31 N ATOM 590 CA LYS B 108 12.832 8.977 18.293 1.00 0.31 C ATOM 591 C LYS B 108 12.711 10.487 18.081 1.00 0.28 C ATOM 592 O LYS B 108 12.654 11.253 19.022 1.00 0.38 O ATOM 593 CB LYS B 108 11.440 8.342 18.252 1.00 0.37 C ATOM 594 CG LYS B 108 11.513 6.917 18.807 1.00 0.70 C ATOM 595 CD LYS B 108 12.488 6.092 17.966 1.00 0.83 C ATOM 596 CE LYS B 108 12.126 4.609 18.069 1.00 1.34 C ATOM 597 NZ LYS B 108 11.680 4.301 19.458 1.00 2.23 N ATOM 0 H LYS B 108 12.820 8.407 20.350 1.00 0.31 H new ATOM 0 HA LYS B 108 13.450 8.548 17.504 1.00 0.31 H new ATOM 0 HB2 LYS B 108 10.740 8.937 18.839 1.00 0.37 H new ATOM 0 HB3 LYS B 108 11.066 8.326 17.228 1.00 0.37 H new ATOM 0 HG2 LYS B 108 11.839 6.937 19.847 1.00 0.70 H new ATOM 0 HG3 LYS B 108 10.524 6.458 18.792 1.00 0.70 H new ATOM 0 HD2 LYS B 108 12.450 6.415 16.926 1.00 0.83 H new ATOM 0 HD3 LYS B 108 13.509 6.253 18.312 1.00 0.83 H new ATOM 0 HE2 LYS B 108 11.335 4.367 17.360 1.00 1.34 H new ATOM 0 HE3 LYS B 108 12.987 3.994 17.808 1.00 1.34 H new ATOM 0 HZ1 LYS B 108 11.807 3.286 19.646 1.00 2.23 H new ATOM 0 HZ2 LYS B 108 12.246 4.852 20.135 1.00 2.23 H new ATOM 0 HZ3 LYS B 108 10.676 4.550 19.563 1.00 2.23 H new ATOM 611 N PHE B 109 12.671 10.922 16.851 1.00 0.24 N ATOM 612 CA PHE B 109 12.553 12.382 16.582 1.00 0.22 C ATOM 613 C PHE B 109 11.771 12.600 15.285 1.00 0.24 C ATOM 614 O PHE B 109 11.888 11.841 14.343 1.00 0.34 O ATOM 615 CB PHE B 109 13.951 12.990 16.441 1.00 0.24 C ATOM 616 CG PHE B 109 14.518 13.273 17.812 1.00 0.20 C ATOM 617 CD1 PHE B 109 13.849 14.143 18.682 1.00 1.12 C ATOM 618 CD2 PHE B 109 15.716 12.667 18.212 1.00 1.14 C ATOM 619 CE1 PHE B 109 14.377 14.406 19.951 1.00 1.12 C ATOM 620 CE2 PHE B 109 16.243 12.931 19.482 1.00 1.14 C ATOM 621 CZ PHE B 109 15.574 13.800 20.351 1.00 0.22 C ATOM 0 H PHE B 109 12.715 10.329 16.022 1.00 0.24 H new ATOM 0 HA PHE B 109 12.029 12.862 17.409 1.00 0.22 H new ATOM 0 HB2 PHE B 109 14.604 12.305 15.900 1.00 0.24 H new ATOM 0 HB3 PHE B 109 13.902 13.910 15.859 1.00 0.24 H new ATOM 0 HD1 PHE B 109 12.926 14.611 18.374 1.00 1.12 H new ATOM 0 HD2 PHE B 109 16.233 11.997 17.541 1.00 1.14 H new ATOM 0 HE1 PHE B 109 13.861 15.077 20.622 1.00 1.12 H new ATOM 0 HE2 PHE B 109 17.166 12.464 19.791 1.00 1.14 H new ATOM 0 HZ PHE B 109 15.981 14.003 21.330 1.00 0.22 H new ATOM 631 N GLN B 110 10.973 13.631 15.229 1.00 0.24 N ATOM 632 CA GLN B 110 10.184 13.897 13.993 1.00 0.28 C ATOM 633 C GLN B 110 10.793 15.086 13.246 1.00 0.25 C ATOM 634 O GLN B 110 10.527 16.230 13.558 1.00 0.27 O ATOM 635 CB GLN B 110 8.737 14.218 14.373 1.00 0.33 C ATOM 636 CG GLN B 110 8.019 12.932 14.784 1.00 0.78 C ATOM 637 CD GLN B 110 6.836 12.685 13.847 1.00 1.04 C ATOM 638 OE1 GLN B 110 6.957 11.819 12.878 1.00 1.68 O flip ATOM 639 NE2 GLN B 110 5.791 13.287 13.997 1.00 1.56 N flip ATOM 0 H GLN B 110 10.833 14.301 15.986 1.00 0.24 H new ATOM 0 HA GLN B 110 10.204 13.017 13.351 1.00 0.28 H new ATOM 0 HB2 GLN B 110 8.716 14.936 15.193 1.00 0.33 H new ATOM 0 HB3 GLN B 110 8.223 14.681 13.531 1.00 0.33 H new ATOM 0 HG2 GLN B 110 8.709 12.089 14.745 1.00 0.78 H new ATOM 0 HG3 GLN B 110 7.670 13.011 15.814 1.00 0.78 H new ATOM 0 HE21 GLN B 110 5.696 13.964 14.754 1.00 1.56 H new ATOM 0 HE22 GLN B 110 5.008 13.115 13.366 1.00 1.56 H new ATOM 648 N ILE B 111 11.609 14.826 12.261 1.00 0.30 N ATOM 649 CA ILE B 111 12.234 15.942 11.497 1.00 0.31 C ATOM 650 C ILE B 111 11.162 16.668 10.683 1.00 0.32 C ATOM 651 O ILE B 111 10.628 16.139 9.728 1.00 0.42 O ATOM 652 CB ILE B 111 13.299 15.381 10.553 1.00 0.37 C ATOM 653 CG1 ILE B 111 14.397 14.703 11.374 1.00 0.36 C ATOM 654 CG2 ILE B 111 13.908 16.521 9.735 1.00 0.42 C ATOM 655 CD1 ILE B 111 14.887 15.663 12.460 1.00 0.37 C ATOM 0 H ILE B 111 11.870 13.889 11.953 1.00 0.30 H new ATOM 0 HA ILE B 111 12.697 16.642 12.192 1.00 0.31 H new ATOM 0 HB ILE B 111 12.843 14.655 9.880 1.00 0.37 H new ATOM 0 HG12 ILE B 111 14.015 13.788 11.827 1.00 0.36 H new ATOM 0 HG13 ILE B 111 15.225 14.416 10.726 1.00 0.36 H new ATOM 0 HG21 ILE B 111 14.667 16.121 9.062 1.00 0.42 H new ATOM 0 HG22 ILE B 111 13.127 17.008 9.152 1.00 0.42 H new ATOM 0 HG23 ILE B 111 14.365 17.247 10.407 1.00 0.42 H new ATOM 0 HD11 ILE B 111 15.670 15.181 13.046 1.00 0.37 H new ATOM 0 HD12 ILE B 111 15.285 16.565 11.996 1.00 0.37 H new ATOM 0 HD13 ILE B 111 14.056 15.928 13.113 1.00 0.37 H new ATOM 667 N LEU B 112 10.844 17.879 11.052 1.00 0.32 N ATOM 668 CA LEU B 112 9.809 18.640 10.297 1.00 0.36 C ATOM 669 C LEU B 112 10.487 19.465 9.204 1.00 0.40 C ATOM 670 O LEU B 112 10.026 19.529 8.082 1.00 0.54 O ATOM 671 CB LEU B 112 9.061 19.575 11.251 1.00 0.38 C ATOM 672 CG LEU B 112 8.954 18.923 12.631 1.00 0.50 C ATOM 673 CD1 LEU B 112 8.290 19.898 13.605 1.00 0.72 C ATOM 674 CD2 LEU B 112 8.109 17.651 12.530 1.00 0.76 C ATOM 0 H LEU B 112 11.256 18.374 11.843 1.00 0.32 H new ATOM 0 HA LEU B 112 9.102 17.944 9.846 1.00 0.36 H new ATOM 0 HB2 LEU B 112 9.585 20.528 11.328 1.00 0.38 H new ATOM 0 HB3 LEU B 112 8.066 19.789 10.861 1.00 0.38 H new ATOM 0 HG LEU B 112 9.951 18.670 12.991 1.00 0.50 H new ATOM 0 HD11 LEU B 112 8.213 19.434 14.588 1.00 0.72 H new ATOM 0 HD12 LEU B 112 8.890 20.805 13.677 1.00 0.72 H new ATOM 0 HD13 LEU B 112 7.293 20.150 13.244 1.00 0.72 H new ATOM 0 HD21 LEU B 112 8.032 17.186 13.513 1.00 0.76 H new ATOM 0 HD22 LEU B 112 7.112 17.904 12.170 1.00 0.76 H new ATOM 0 HD23 LEU B 112 8.580 16.956 11.835 1.00 0.76 H new ATOM 686 N ASN B 113 11.581 20.096 9.525 1.00 0.38 N ATOM 687 CA ASN B 113 12.295 20.917 8.508 1.00 0.48 C ATOM 688 C ASN B 113 13.787 20.575 8.534 1.00 0.48 C ATOM 689 O ASN B 113 14.443 20.693 9.550 1.00 0.58 O ATOM 690 CB ASN B 113 12.106 22.402 8.827 1.00 0.57 C ATOM 691 CG ASN B 113 11.813 23.167 7.536 1.00 1.05 C ATOM 692 OD1 ASN B 113 10.693 23.574 7.297 1.00 1.87 O ATOM 693 ND2 ASN B 113 12.780 23.383 6.686 1.00 1.55 N ATOM 0 H ASN B 113 12.012 20.079 10.449 1.00 0.38 H new ATOM 0 HA ASN B 113 11.890 20.704 7.519 1.00 0.48 H new ATOM 0 HB2 ASN B 113 11.286 22.532 9.533 1.00 0.57 H new ATOM 0 HB3 ASN B 113 13.002 22.800 9.303 1.00 0.57 H new ATOM 0 HD21 ASN B 113 12.595 23.893 5.822 1.00 1.55 H new ATOM 0 HD22 ASN B 113 13.720 23.042 6.886 1.00 1.55 H new ATOM 700 N SER B 114 14.328 20.151 7.424 1.00 0.54 N ATOM 701 CA SER B 114 15.776 19.800 7.389 1.00 0.59 C ATOM 702 C SER B 114 16.413 20.380 6.123 1.00 0.77 C ATOM 703 O SER B 114 17.051 19.680 5.362 1.00 1.26 O ATOM 704 CB SER B 114 15.931 18.278 7.386 1.00 0.65 C ATOM 705 OG SER B 114 14.983 17.712 6.490 1.00 1.08 O ATOM 0 H SER B 114 13.831 20.033 6.541 1.00 0.54 H new ATOM 0 HA SER B 114 16.271 20.215 8.267 1.00 0.59 H new ATOM 0 HB2 SER B 114 16.942 18.004 7.085 1.00 0.65 H new ATOM 0 HB3 SER B 114 15.780 17.883 8.391 1.00 0.65 H new ATOM 0 HG SER B 114 15.080 16.737 6.484 1.00 1.08 H new ATOM 711 N SER B 115 16.246 21.653 5.892 1.00 0.78 N ATOM 712 CA SER B 115 16.843 22.275 4.676 1.00 0.96 C ATOM 713 C SER B 115 17.798 23.395 5.095 1.00 1.17 C ATOM 714 O SER B 115 18.770 23.679 4.425 1.00 1.74 O ATOM 715 CB SER B 115 15.733 22.857 3.801 1.00 1.20 C ATOM 716 OG SER B 115 15.139 23.963 4.468 1.00 1.84 O ATOM 0 H SER B 115 15.722 22.290 6.492 1.00 0.78 H new ATOM 0 HA SER B 115 17.390 21.518 4.113 1.00 0.96 H new ATOM 0 HB2 SER B 115 16.140 23.173 2.840 1.00 1.20 H new ATOM 0 HB3 SER B 115 14.981 22.096 3.594 1.00 1.20 H new ATOM 0 HG SER B 115 14.428 24.339 3.908 1.00 1.84 H new ATOM 722 N GLU B 116 17.525 24.031 6.200 1.00 1.15 N ATOM 723 CA GLU B 116 18.411 25.132 6.670 1.00 1.56 C ATOM 724 C GLU B 116 19.838 24.606 6.834 1.00 1.47 C ATOM 725 O GLU B 116 20.244 23.667 6.180 1.00 2.14 O ATOM 726 CB GLU B 116 17.894 25.656 8.012 1.00 2.31 C ATOM 727 CG GLU B 116 17.801 24.501 9.010 1.00 2.76 C ATOM 728 CD GLU B 116 17.587 25.061 10.418 1.00 3.49 C ATOM 729 OE1 GLU B 116 17.761 26.255 10.592 1.00 4.10 O ATOM 730 OE2 GLU B 116 17.253 24.285 11.299 1.00 3.85 O ATOM 0 H GLU B 116 16.724 23.835 6.800 1.00 1.15 H new ATOM 0 HA GLU B 116 18.411 25.941 5.940 1.00 1.56 H new ATOM 0 HB2 GLU B 116 18.562 26.428 8.394 1.00 2.31 H new ATOM 0 HB3 GLU B 116 16.915 26.117 7.881 1.00 2.31 H new ATOM 0 HG2 GLU B 116 16.978 23.839 8.741 1.00 2.76 H new ATOM 0 HG3 GLU B 116 18.713 23.905 8.979 1.00 2.76 H new ATOM 737 N GLY B 117 20.602 25.212 7.698 1.00 1.31 N ATOM 738 CA GLY B 117 22.008 24.759 7.907 1.00 1.62 C ATOM 739 C GLY B 117 22.036 23.254 8.189 1.00 1.27 C ATOM 740 O GLY B 117 21.098 22.537 7.904 1.00 1.75 O ATOM 0 H GLY B 117 20.314 26.005 8.271 1.00 1.31 H new ATOM 0 HA2 GLY B 117 22.606 24.983 7.024 1.00 1.62 H new ATOM 0 HA3 GLY B 117 22.454 25.302 8.740 1.00 1.62 H new ATOM 744 N ASP B 118 23.113 22.770 8.747 1.00 0.82 N ATOM 745 CA ASP B 118 23.212 21.312 9.045 1.00 0.64 C ATOM 746 C ASP B 118 22.339 20.964 10.254 1.00 0.52 C ATOM 747 O ASP B 118 22.303 19.833 10.696 1.00 0.75 O ATOM 748 CB ASP B 118 24.667 20.957 9.353 1.00 0.71 C ATOM 749 CG ASP B 118 25.555 21.383 8.183 1.00 1.11 C ATOM 750 OD1 ASP B 118 25.231 22.374 7.550 1.00 1.62 O ATOM 751 OD2 ASP B 118 26.545 20.713 7.942 1.00 1.74 O ATOM 0 H ASP B 118 23.929 23.322 9.010 1.00 0.82 H new ATOM 0 HA ASP B 118 22.867 20.745 8.180 1.00 0.64 H new ATOM 0 HB2 ASP B 118 24.988 21.456 10.267 1.00 0.71 H new ATOM 0 HB3 ASP B 118 24.762 19.885 9.524 1.00 0.71 H new ATOM 756 N TRP B 119 21.639 21.922 10.796 1.00 0.41 N ATOM 757 CA TRP B 119 20.778 21.633 11.977 1.00 0.31 C ATOM 758 C TRP B 119 19.307 21.654 11.560 1.00 0.31 C ATOM 759 O TRP B 119 18.833 22.603 10.967 1.00 0.38 O ATOM 760 CB TRP B 119 21.020 22.691 13.054 1.00 0.38 C ATOM 761 CG TRP B 119 22.298 22.389 13.767 1.00 0.36 C ATOM 762 CD1 TRP B 119 23.519 22.352 13.188 1.00 0.40 C ATOM 763 CD2 TRP B 119 22.503 22.080 15.175 1.00 0.37 C ATOM 764 NE1 TRP B 119 24.461 22.040 14.151 1.00 0.42 N ATOM 765 CE2 TRP B 119 23.884 21.863 15.392 1.00 0.40 C ATOM 766 CE3 TRP B 119 21.633 21.968 16.275 1.00 0.43 C ATOM 767 CZ2 TRP B 119 24.385 21.546 16.655 1.00 0.44 C ATOM 768 CZ3 TRP B 119 22.134 21.649 17.548 1.00 0.48 C ATOM 769 CH2 TRP B 119 23.508 21.438 17.737 1.00 0.48 C ATOM 0 H TRP B 119 21.626 22.890 10.473 1.00 0.41 H new ATOM 0 HA TRP B 119 21.025 20.648 12.372 1.00 0.31 H new ATOM 0 HB2 TRP B 119 21.068 23.682 12.602 1.00 0.38 H new ATOM 0 HB3 TRP B 119 20.190 22.703 13.761 1.00 0.38 H new ATOM 0 HD1 TRP B 119 23.725 22.536 12.144 1.00 0.40 H new ATOM 0 HE1 TRP B 119 25.460 21.951 13.967 1.00 0.42 H new ATOM 0 HE3 TRP B 119 20.574 22.128 16.140 1.00 0.43 H new ATOM 0 HZ2 TRP B 119 25.444 21.385 16.795 1.00 0.44 H new ATOM 0 HZ3 TRP B 119 21.458 21.566 18.386 1.00 0.48 H new ATOM 0 HH2 TRP B 119 23.887 21.192 18.718 1.00 0.48 H new ATOM 780 N TRP B 120 18.579 20.614 11.867 1.00 0.28 N ATOM 781 CA TRP B 120 17.138 20.576 11.490 1.00 0.31 C ATOM 782 C TRP B 120 16.280 20.705 12.750 1.00 0.27 C ATOM 783 O TRP B 120 16.770 20.618 13.858 1.00 0.31 O ATOM 784 CB TRP B 120 16.821 19.247 10.801 1.00 0.36 C ATOM 785 CG TRP B 120 17.844 18.967 9.748 1.00 0.36 C ATOM 786 CD1 TRP B 120 18.669 19.887 9.199 1.00 0.39 C ATOM 787 CD2 TRP B 120 18.164 17.697 9.108 1.00 0.39 C ATOM 788 NE1 TRP B 120 19.475 19.264 8.263 1.00 0.47 N ATOM 789 CE2 TRP B 120 19.201 17.913 8.171 1.00 0.46 C ATOM 790 CE3 TRP B 120 17.659 16.392 9.250 1.00 0.41 C ATOM 791 CZ2 TRP B 120 19.719 16.872 7.400 1.00 0.53 C ATOM 792 CZ3 TRP B 120 18.177 15.341 8.476 1.00 0.46 C ATOM 793 CH2 TRP B 120 19.205 15.581 7.553 1.00 0.52 C ATOM 0 H TRP B 120 18.920 19.790 12.362 1.00 0.28 H new ATOM 0 HA TRP B 120 16.922 21.400 10.810 1.00 0.31 H new ATOM 0 HB2 TRP B 120 16.810 18.440 11.534 1.00 0.36 H new ATOM 0 HB3 TRP B 120 15.827 19.286 10.355 1.00 0.36 H new ATOM 0 HD1 TRP B 120 18.695 20.937 9.450 1.00 0.39 H new ATOM 0 HE1 TRP B 120 20.185 19.743 7.709 1.00 0.47 H new ATOM 0 HE3 TRP B 120 16.868 16.197 9.959 1.00 0.41 H new ATOM 0 HZ2 TRP B 120 20.511 17.062 6.691 1.00 0.53 H new ATOM 0 HZ3 TRP B 120 17.782 14.343 8.592 1.00 0.46 H new ATOM 0 HH2 TRP B 120 19.600 14.769 6.961 1.00 0.52 H new ATOM 804 N GLU B 121 15.002 20.907 12.589 1.00 0.30 N ATOM 805 CA GLU B 121 14.112 21.036 13.777 1.00 0.28 C ATOM 806 C GLU B 121 13.310 19.744 13.948 1.00 0.24 C ATOM 807 O GLU B 121 12.450 19.426 13.152 1.00 0.30 O ATOM 808 CB GLU B 121 13.153 22.210 13.575 1.00 0.36 C ATOM 809 CG GLU B 121 12.809 22.343 12.091 1.00 1.09 C ATOM 810 CD GLU B 121 11.746 23.427 11.908 1.00 1.19 C ATOM 811 OE1 GLU B 121 10.585 23.138 12.149 1.00 1.73 O ATOM 812 OE2 GLU B 121 12.109 24.529 11.530 1.00 1.56 O ATOM 0 H GLU B 121 14.535 20.988 11.686 1.00 0.30 H new ATOM 0 HA GLU B 121 14.715 21.214 14.667 1.00 0.28 H new ATOM 0 HB2 GLU B 121 12.244 22.054 14.157 1.00 0.36 H new ATOM 0 HB3 GLU B 121 13.609 23.131 13.937 1.00 0.36 H new ATOM 0 HG2 GLU B 121 13.703 22.596 11.521 1.00 1.09 H new ATOM 0 HG3 GLU B 121 12.443 21.391 11.705 1.00 1.09 H new ATOM 819 N ALA B 122 13.587 18.994 14.980 1.00 0.23 N ATOM 820 CA ALA B 122 12.842 17.723 15.196 1.00 0.27 C ATOM 821 C ALA B 122 11.897 17.879 16.389 1.00 0.26 C ATOM 822 O ALA B 122 12.083 18.731 17.235 1.00 0.33 O ATOM 823 CB ALA B 122 13.833 16.592 15.475 1.00 0.33 C ATOM 0 H ALA B 122 14.296 19.207 15.681 1.00 0.23 H new ATOM 0 HA ALA B 122 12.262 17.487 14.304 1.00 0.27 H new ATOM 0 HB1 ALA B 122 13.288 15.661 15.633 1.00 0.33 H new ATOM 0 HB2 ALA B 122 14.505 16.479 14.624 1.00 0.33 H new ATOM 0 HB3 ALA B 122 14.413 16.829 16.367 1.00 0.33 H new ATOM 829 N ARG B 123 10.885 17.059 16.464 1.00 0.26 N ATOM 830 CA ARG B 123 9.928 17.155 17.602 1.00 0.30 C ATOM 831 C ARG B 123 10.065 15.914 18.485 1.00 0.27 C ATOM 832 O ARG B 123 9.937 14.796 18.026 1.00 0.35 O ATOM 833 CB ARG B 123 8.499 17.243 17.059 1.00 0.37 C ATOM 834 CG ARG B 123 7.593 17.893 18.107 1.00 0.80 C ATOM 835 CD ARG B 123 6.498 16.907 18.519 1.00 1.06 C ATOM 836 NE ARG B 123 5.616 16.628 17.350 1.00 1.40 N ATOM 837 CZ ARG B 123 4.563 17.369 17.135 1.00 1.43 C ATOM 838 NH1 ARG B 123 4.527 18.597 17.578 1.00 1.70 N ATOM 839 NH2 ARG B 123 3.547 16.883 16.475 1.00 2.13 N ATOM 0 H ARG B 123 10.679 16.326 15.785 1.00 0.26 H new ATOM 0 HA ARG B 123 10.147 18.046 18.191 1.00 0.30 H new ATOM 0 HB2 ARG B 123 8.484 17.826 16.138 1.00 0.37 H new ATOM 0 HB3 ARG B 123 8.131 16.247 16.812 1.00 0.37 H new ATOM 0 HG2 ARG B 123 8.179 18.186 18.978 1.00 0.80 H new ATOM 0 HG3 ARG B 123 7.146 18.801 17.703 1.00 0.80 H new ATOM 0 HD2 ARG B 123 6.945 15.981 18.880 1.00 1.06 H new ATOM 0 HD3 ARG B 123 5.912 17.320 19.340 1.00 1.06 H new ATOM 0 HE ARG B 123 5.835 15.858 16.718 1.00 1.40 H new ATOM 0 HH11 ARG B 123 5.322 18.977 18.092 1.00 1.70 H new ATOM 0 HH12 ARG B 123 3.704 19.176 17.410 1.00 1.70 H new ATOM 0 HH21 ARG B 123 3.576 15.924 16.127 1.00 2.13 H new ATOM 0 HH22 ARG B 123 2.724 17.462 16.307 1.00 2.13 H new ATOM 853 N SER B 124 10.327 16.099 19.751 1.00 0.37 N ATOM 854 CA SER B 124 10.474 14.928 20.661 1.00 0.39 C ATOM 855 C SER B 124 9.136 14.193 20.767 1.00 0.40 C ATOM 856 O SER B 124 8.155 14.734 21.237 1.00 0.45 O ATOM 857 CB SER B 124 10.901 15.412 22.048 1.00 0.50 C ATOM 858 OG SER B 124 12.099 14.749 22.428 1.00 1.34 O ATOM 0 H SER B 124 10.445 17.010 20.194 1.00 0.37 H new ATOM 0 HA SER B 124 11.230 14.251 20.263 1.00 0.39 H new ATOM 0 HB2 SER B 124 11.056 16.491 22.038 1.00 0.50 H new ATOM 0 HB3 SER B 124 10.114 15.210 22.775 1.00 0.50 H new ATOM 0 HG SER B 124 12.376 15.058 23.316 1.00 1.34 H new ATOM 864 N LEU B 125 9.088 12.963 20.335 1.00 0.43 N ATOM 865 CA LEU B 125 7.813 12.196 20.412 1.00 0.49 C ATOM 866 C LEU B 125 7.516 11.843 21.871 1.00 0.54 C ATOM 867 O LEU B 125 6.410 11.479 22.218 1.00 0.66 O ATOM 868 CB LEU B 125 7.940 10.911 19.591 1.00 0.54 C ATOM 869 CG LEU B 125 7.869 11.247 18.101 1.00 0.58 C ATOM 870 CD1 LEU B 125 8.389 10.063 17.284 1.00 0.88 C ATOM 871 CD2 LEU B 125 6.418 11.536 17.712 1.00 0.81 C ATOM 0 H LEU B 125 9.876 12.456 19.932 1.00 0.43 H new ATOM 0 HA LEU B 125 7.000 12.803 20.013 1.00 0.49 H new ATOM 0 HB2 LEU B 125 8.883 10.414 19.818 1.00 0.54 H new ATOM 0 HB3 LEU B 125 7.142 10.217 19.856 1.00 0.54 H new ATOM 0 HG LEU B 125 8.482 12.125 17.898 1.00 0.58 H new ATOM 0 HD11 LEU B 125 8.338 10.303 16.222 1.00 0.88 H new ATOM 0 HD12 LEU B 125 9.423 9.857 17.560 1.00 0.88 H new ATOM 0 HD13 LEU B 125 7.777 9.184 17.487 1.00 0.88 H new ATOM 0 HD21 LEU B 125 6.367 11.776 16.650 1.00 0.81 H new ATOM 0 HD22 LEU B 125 5.805 10.658 17.916 1.00 0.81 H new ATOM 0 HD23 LEU B 125 6.047 12.381 18.293 1.00 0.81 H new ATOM 883 N THR B 126 8.494 11.948 22.728 1.00 0.52 N ATOM 884 CA THR B 126 8.266 11.619 24.163 1.00 0.61 C ATOM 885 C THR B 126 7.815 12.877 24.909 1.00 0.63 C ATOM 886 O THR B 126 6.687 12.978 25.351 1.00 0.70 O ATOM 887 CB THR B 126 9.567 11.100 24.781 1.00 0.71 C ATOM 888 OG1 THR B 126 9.903 9.852 24.193 1.00 0.76 O ATOM 889 CG2 THR B 126 9.383 10.924 26.289 1.00 0.90 C ATOM 0 H THR B 126 9.441 12.247 22.496 1.00 0.52 H new ATOM 0 HA THR B 126 7.495 10.853 24.242 1.00 0.61 H new ATOM 0 HB THR B 126 10.368 11.816 24.597 1.00 0.71 H new ATOM 0 HG1 THR B 126 10.737 9.519 24.586 1.00 0.76 H new ATOM 0 HG21 THR B 126 10.310 10.554 26.728 1.00 0.90 H new ATOM 0 HG22 THR B 126 9.126 11.883 26.739 1.00 0.90 H new ATOM 0 HG23 THR B 126 8.582 10.209 26.477 1.00 0.90 H new ATOM 897 N THR B 127 8.687 13.837 25.051 1.00 0.67 N ATOM 898 CA THR B 127 8.310 15.087 25.767 1.00 0.78 C ATOM 899 C THR B 127 7.233 15.825 24.968 1.00 0.72 C ATOM 900 O THR B 127 6.201 16.193 25.492 1.00 0.95 O ATOM 901 CB THR B 127 9.543 15.982 25.911 1.00 0.87 C ATOM 902 OG1 THR B 127 10.114 16.209 24.630 1.00 0.93 O ATOM 903 CG2 THR B 127 10.569 15.298 26.816 1.00 1.07 C ATOM 0 H THR B 127 9.645 13.809 24.702 1.00 0.67 H new ATOM 0 HA THR B 127 7.923 14.839 26.756 1.00 0.78 H new ATOM 0 HB THR B 127 9.251 16.935 26.352 1.00 0.87 H new ATOM 0 HG1 THR B 127 10.910 16.773 24.722 1.00 0.93 H new ATOM 0 HG21 THR B 127 11.447 15.936 26.918 1.00 1.07 H new ATOM 0 HG22 THR B 127 10.130 15.125 27.799 1.00 1.07 H new ATOM 0 HG23 THR B 127 10.863 14.344 26.377 1.00 1.07 H new ATOM 911 N GLY B 128 7.466 16.043 23.703 1.00 0.56 N ATOM 912 CA GLY B 128 6.455 16.756 22.871 1.00 0.59 C ATOM 913 C GLY B 128 6.982 18.142 22.497 1.00 0.60 C ATOM 914 O GLY B 128 6.439 18.812 21.642 1.00 0.72 O ATOM 0 H GLY B 128 8.312 15.759 23.209 1.00 0.56 H new ATOM 0 HA2 GLY B 128 6.241 16.182 21.969 1.00 0.59 H new ATOM 0 HA3 GLY B 128 5.518 16.848 23.420 1.00 0.59 H new ATOM 918 N GLU B 129 8.036 18.578 23.130 1.00 0.62 N ATOM 919 CA GLU B 129 8.595 19.921 22.807 1.00 0.68 C ATOM 920 C GLU B 129 9.465 19.819 21.553 1.00 0.54 C ATOM 921 O GLU B 129 10.197 18.867 21.370 1.00 0.62 O ATOM 922 CB GLU B 129 9.445 20.415 23.979 1.00 0.84 C ATOM 923 CG GLU B 129 10.551 19.399 24.268 1.00 1.31 C ATOM 924 CD GLU B 129 10.614 19.128 25.773 1.00 1.75 C ATOM 925 OE1 GLU B 129 10.196 19.990 26.528 1.00 2.29 O ATOM 926 OE2 GLU B 129 11.079 18.063 26.144 1.00 2.29 O ATOM 0 H GLU B 129 8.534 18.063 23.856 1.00 0.62 H new ATOM 0 HA GLU B 129 7.780 20.623 22.630 1.00 0.68 H new ATOM 0 HB2 GLU B 129 9.881 21.386 23.743 1.00 0.84 H new ATOM 0 HB3 GLU B 129 8.822 20.552 24.863 1.00 0.84 H new ATOM 0 HG2 GLU B 129 10.358 18.472 23.728 1.00 1.31 H new ATOM 0 HG3 GLU B 129 11.510 19.779 23.916 1.00 1.31 H new ATOM 933 N THR B 130 9.390 20.791 20.685 1.00 0.53 N ATOM 934 CA THR B 130 10.213 20.744 19.443 1.00 0.46 C ATOM 935 C THR B 130 11.488 21.568 19.641 1.00 0.39 C ATOM 936 O THR B 130 11.568 22.406 20.516 1.00 0.49 O ATOM 937 CB THR B 130 9.407 21.320 18.276 1.00 0.58 C ATOM 938 OG1 THR B 130 8.023 21.285 18.595 1.00 1.21 O ATOM 939 CG2 THR B 130 9.664 20.488 17.018 1.00 0.97 C ATOM 0 H THR B 130 8.796 21.614 20.782 1.00 0.53 H new ATOM 0 HA THR B 130 10.482 19.710 19.224 1.00 0.46 H new ATOM 0 HB THR B 130 9.712 22.351 18.096 1.00 0.58 H new ATOM 0 HG1 THR B 130 7.506 21.655 17.849 1.00 1.21 H new ATOM 0 HG21 THR B 130 9.090 20.898 16.187 1.00 0.97 H new ATOM 0 HG22 THR B 130 10.726 20.516 16.774 1.00 0.97 H new ATOM 0 HG23 THR B 130 9.359 19.457 17.195 1.00 0.97 H new ATOM 947 N GLY B 131 12.486 21.333 18.832 1.00 0.32 N ATOM 948 CA GLY B 131 13.757 22.100 18.972 1.00 0.34 C ATOM 949 C GLY B 131 14.647 21.840 17.754 1.00 0.30 C ATOM 950 O GLY B 131 14.225 21.245 16.782 1.00 0.30 O ATOM 0 H GLY B 131 12.476 20.643 18.081 1.00 0.32 H new ATOM 0 HA2 GLY B 131 13.544 23.165 19.059 1.00 0.34 H new ATOM 0 HA3 GLY B 131 14.275 21.803 19.884 1.00 0.34 H new ATOM 954 N TYR B 132 15.875 22.281 17.796 1.00 0.33 N ATOM 955 CA TYR B 132 16.786 22.059 16.637 1.00 0.33 C ATOM 956 C TYR B 132 17.939 21.145 17.058 1.00 0.32 C ATOM 957 O TYR B 132 18.681 21.444 17.972 1.00 0.43 O ATOM 958 CB TYR B 132 17.346 23.402 16.165 1.00 0.39 C ATOM 959 CG TYR B 132 16.206 24.304 15.760 1.00 0.40 C ATOM 960 CD1 TYR B 132 15.435 24.938 16.741 1.00 1.33 C ATOM 961 CD2 TYR B 132 15.918 24.505 14.405 1.00 1.16 C ATOM 962 CE1 TYR B 132 14.375 25.773 16.368 1.00 1.37 C ATOM 963 CE2 TYR B 132 14.859 25.340 14.031 1.00 1.14 C ATOM 964 CZ TYR B 132 14.087 25.974 15.013 1.00 0.49 C ATOM 965 OH TYR B 132 13.042 26.797 14.644 1.00 0.55 O ATOM 0 H TYR B 132 16.286 22.785 18.582 1.00 0.33 H new ATOM 0 HA TYR B 132 16.231 21.590 15.825 1.00 0.33 H new ATOM 0 HB2 TYR B 132 17.927 23.867 16.962 1.00 0.39 H new ATOM 0 HB3 TYR B 132 18.022 23.251 15.323 1.00 0.39 H new ATOM 0 HD1 TYR B 132 15.658 24.783 17.786 1.00 1.33 H new ATOM 0 HD2 TYR B 132 16.513 24.016 13.648 1.00 1.16 H new ATOM 0 HE1 TYR B 132 13.780 26.262 17.125 1.00 1.37 H new ATOM 0 HE2 TYR B 132 14.637 25.496 12.986 1.00 1.14 H new ATOM 0 HH TYR B 132 12.979 26.828 13.666 1.00 0.55 H new ATOM 975 N ILE B 133 18.096 20.032 16.394 1.00 0.28 N ATOM 976 CA ILE B 133 19.201 19.099 16.752 1.00 0.27 C ATOM 977 C ILE B 133 20.107 18.896 15.534 1.00 0.27 C ATOM 978 O ILE B 133 19.701 19.135 14.414 1.00 0.27 O ATOM 979 CB ILE B 133 18.612 17.754 17.182 1.00 0.27 C ATOM 980 CG1 ILE B 133 17.705 17.217 16.072 1.00 0.33 C ATOM 981 CG2 ILE B 133 17.794 17.941 18.461 1.00 0.36 C ATOM 982 CD1 ILE B 133 18.101 15.777 15.741 1.00 0.86 C ATOM 0 H ILE B 133 17.506 19.729 15.619 1.00 0.28 H new ATOM 0 HA ILE B 133 19.783 19.518 17.573 1.00 0.27 H new ATOM 0 HB ILE B 133 19.420 17.046 17.367 1.00 0.27 H new ATOM 0 HG12 ILE B 133 16.663 17.255 16.389 1.00 0.33 H new ATOM 0 HG13 ILE B 133 17.791 17.842 15.183 1.00 0.33 H new ATOM 0 HG21 ILE B 133 17.374 16.983 18.768 1.00 0.36 H new ATOM 0 HG22 ILE B 133 18.438 18.325 19.252 1.00 0.36 H new ATOM 0 HG23 ILE B 133 16.986 18.649 18.276 1.00 0.36 H new ATOM 0 HD11 ILE B 133 17.455 15.395 14.951 1.00 0.86 H new ATOM 0 HD12 ILE B 133 19.138 15.753 15.406 1.00 0.86 H new ATOM 0 HD13 ILE B 133 17.992 15.156 16.630 1.00 0.86 H new ATOM 994 N PRO B 134 21.311 18.460 15.795 1.00 0.30 N ATOM 995 CA PRO B 134 22.303 18.213 14.734 1.00 0.32 C ATOM 996 C PRO B 134 21.777 17.161 13.755 1.00 0.29 C ATOM 997 O PRO B 134 21.395 16.075 14.143 1.00 0.27 O ATOM 998 CB PRO B 134 23.547 17.697 15.473 1.00 0.35 C ATOM 999 CG PRO B 134 23.216 17.667 16.988 1.00 0.36 C ATOM 1000 CD PRO B 134 21.776 18.176 17.163 1.00 0.34 C ATOM 0 HA PRO B 134 22.519 19.106 14.148 1.00 0.32 H new ATOM 0 HB2 PRO B 134 23.816 16.701 15.120 1.00 0.35 H new ATOM 0 HB3 PRO B 134 24.402 18.345 15.281 1.00 0.35 H new ATOM 0 HG2 PRO B 134 23.314 16.655 17.381 1.00 0.36 H new ATOM 0 HG3 PRO B 134 23.913 18.294 17.544 1.00 0.36 H new ATOM 0 HD2 PRO B 134 21.148 17.428 17.648 1.00 0.34 H new ATOM 0 HD3 PRO B 134 21.745 19.070 17.785 1.00 0.34 H new ATOM 1008 N SER B 135 21.748 17.476 12.490 1.00 0.32 N ATOM 1009 CA SER B 135 21.243 16.499 11.489 1.00 0.31 C ATOM 1010 C SER B 135 22.189 15.298 11.422 1.00 0.32 C ATOM 1011 O SER B 135 21.781 14.189 11.139 1.00 0.31 O ATOM 1012 CB SER B 135 21.174 17.173 10.120 1.00 0.38 C ATOM 1013 OG SER B 135 22.464 17.658 9.769 1.00 0.55 O ATOM 0 H SER B 135 22.053 18.371 12.107 1.00 0.32 H new ATOM 0 HA SER B 135 20.249 16.158 11.780 1.00 0.31 H new ATOM 0 HB2 SER B 135 20.823 16.464 9.370 1.00 0.38 H new ATOM 0 HB3 SER B 135 20.458 17.994 10.142 1.00 0.38 H new ATOM 0 HG SER B 135 22.490 18.631 9.884 1.00 0.55 H new ATOM 1019 N ASN B 136 23.452 15.508 11.682 1.00 0.35 N ATOM 1020 CA ASN B 136 24.420 14.376 11.632 1.00 0.39 C ATOM 1021 C ASN B 136 24.241 13.495 12.874 1.00 0.36 C ATOM 1022 O ASN B 136 24.943 12.522 13.062 1.00 0.45 O ATOM 1023 CB ASN B 136 25.851 14.932 11.579 1.00 0.46 C ATOM 1024 CG ASN B 136 26.605 14.586 12.867 1.00 1.06 C ATOM 1025 OD1 ASN B 136 26.337 15.241 13.963 1.00 2.16 O flip ATOM 1026 ND2 ASN B 136 27.447 13.709 12.874 1.00 0.87 N flip ATOM 0 H ASN B 136 23.854 16.413 11.926 1.00 0.35 H new ATOM 0 HA ASN B 136 24.238 13.774 10.742 1.00 0.39 H new ATOM 0 HB2 ASN B 136 26.378 14.518 10.719 1.00 0.46 H new ATOM 0 HB3 ASN B 136 25.823 16.013 11.445 1.00 0.46 H new ATOM 0 HD21 ASN B 136 27.657 13.197 12.017 1.00 0.87 H new ATOM 0 HD22 ASN B 136 27.944 13.486 13.737 1.00 0.87 H new ATOM 1033 N TYR B 137 23.307 13.830 13.722 1.00 0.32 N ATOM 1034 CA TYR B 137 23.086 13.014 14.948 1.00 0.32 C ATOM 1035 C TYR B 137 21.768 12.247 14.823 1.00 0.29 C ATOM 1036 O TYR B 137 21.278 11.679 15.779 1.00 0.30 O ATOM 1037 CB TYR B 137 23.024 13.936 16.168 1.00 0.33 C ATOM 1038 CG TYR B 137 24.316 13.836 16.942 1.00 0.36 C ATOM 1039 CD1 TYR B 137 25.514 13.563 16.272 1.00 1.17 C ATOM 1040 CD2 TYR B 137 24.315 14.015 18.331 1.00 1.32 C ATOM 1041 CE1 TYR B 137 26.712 13.470 16.990 1.00 1.17 C ATOM 1042 CE2 TYR B 137 25.513 13.921 19.049 1.00 1.37 C ATOM 1043 CZ TYR B 137 26.711 13.649 18.378 1.00 0.52 C ATOM 1044 OH TYR B 137 27.892 13.557 19.086 1.00 0.61 O ATOM 0 H TYR B 137 22.688 14.634 13.618 1.00 0.32 H new ATOM 0 HA TYR B 137 23.907 12.307 15.065 1.00 0.32 H new ATOM 0 HB2 TYR B 137 22.857 14.965 15.851 1.00 0.33 H new ATOM 0 HB3 TYR B 137 22.184 13.658 16.805 1.00 0.33 H new ATOM 0 HD1 TYR B 137 25.514 13.424 15.201 1.00 1.17 H new ATOM 0 HD2 TYR B 137 23.390 14.225 18.848 1.00 1.32 H new ATOM 0 HE1 TYR B 137 27.637 13.260 16.473 1.00 1.17 H new ATOM 0 HE2 TYR B 137 25.513 14.058 20.120 1.00 1.37 H new ATOM 0 HH TYR B 137 27.715 13.708 20.038 1.00 0.61 H new ATOM 1054 N VAL B 138 21.188 12.224 13.654 1.00 0.29 N ATOM 1055 CA VAL B 138 19.903 11.491 13.476 1.00 0.28 C ATOM 1056 C VAL B 138 19.880 10.820 12.102 1.00 0.31 C ATOM 1057 O VAL B 138 20.496 11.283 11.163 1.00 0.36 O ATOM 1058 CB VAL B 138 18.736 12.475 13.583 1.00 0.31 C ATOM 1059 CG1 VAL B 138 18.736 13.120 14.970 1.00 0.40 C ATOM 1060 CG2 VAL B 138 18.888 13.562 12.517 1.00 0.39 C ATOM 0 H VAL B 138 21.548 12.680 12.816 1.00 0.29 H new ATOM 0 HA VAL B 138 19.810 10.730 14.251 1.00 0.28 H new ATOM 0 HB VAL B 138 17.797 11.942 13.430 1.00 0.31 H new ATOM 0 HG11 VAL B 138 17.905 13.821 15.045 1.00 0.40 H new ATOM 0 HG12 VAL B 138 18.629 12.347 15.731 1.00 0.40 H new ATOM 0 HG13 VAL B 138 19.674 13.653 15.124 1.00 0.40 H new ATOM 0 HG21 VAL B 138 18.057 14.264 12.592 1.00 0.39 H new ATOM 0 HG22 VAL B 138 19.827 14.094 12.671 1.00 0.39 H new ATOM 0 HG23 VAL B 138 18.888 13.104 11.528 1.00 0.39 H new ATOM 1070 N ALA B 139 19.171 9.732 11.976 1.00 0.30 N ATOM 1071 CA ALA B 139 19.106 9.031 10.663 1.00 0.37 C ATOM 1072 C ALA B 139 17.717 8.413 10.486 1.00 0.35 C ATOM 1073 O ALA B 139 16.995 8.227 11.445 1.00 0.30 O ATOM 1074 CB ALA B 139 20.164 7.926 10.621 1.00 0.45 C ATOM 0 H ALA B 139 18.633 9.298 12.726 1.00 0.30 H new ATOM 0 HA ALA B 139 19.294 9.744 9.860 1.00 0.37 H new ATOM 0 HB1 ALA B 139 20.116 7.413 9.660 1.00 0.45 H new ATOM 0 HB2 ALA B 139 21.154 8.365 10.750 1.00 0.45 H new ATOM 0 HB3 ALA B 139 19.977 7.212 11.423 1.00 0.45 H new ATOM 1080 N PRO B 140 17.390 8.113 9.258 1.00 0.43 N ATOM 1081 CA PRO B 140 16.090 7.511 8.913 1.00 0.48 C ATOM 1082 C PRO B 140 15.927 6.165 9.622 1.00 0.49 C ATOM 1083 O PRO B 140 16.887 5.463 9.873 1.00 0.59 O ATOM 1084 CB PRO B 140 16.139 7.319 7.391 1.00 0.62 C ATOM 1085 CG PRO B 140 17.515 7.836 6.894 1.00 0.65 C ATOM 1086 CD PRO B 140 18.290 8.350 8.117 1.00 0.53 C ATOM 0 HA PRO B 140 15.248 8.132 9.219 1.00 0.48 H new ATOM 0 HB2 PRO B 140 16.010 6.268 7.134 1.00 0.62 H new ATOM 0 HB3 PRO B 140 15.328 7.867 6.910 1.00 0.62 H new ATOM 0 HG2 PRO B 140 18.068 7.037 6.399 1.00 0.65 H new ATOM 0 HG3 PRO B 140 17.383 8.633 6.162 1.00 0.65 H new ATOM 0 HD2 PRO B 140 19.233 7.818 8.240 1.00 0.53 H new ATOM 0 HD3 PRO B 140 18.531 9.408 8.016 1.00 0.53 H new ATOM 1094 N VAL B 141 14.718 5.799 9.948 1.00 0.52 N ATOM 1095 CA VAL B 141 14.494 4.499 10.641 1.00 0.60 C ATOM 1096 C VAL B 141 15.222 3.386 9.884 1.00 0.84 C ATOM 1097 O VAL B 141 14.659 2.882 8.926 1.00 1.41 O ATOM 1098 CB VAL B 141 12.996 4.196 10.681 1.00 0.66 C ATOM 1099 CG1 VAL B 141 12.768 2.821 11.311 1.00 1.35 C ATOM 1100 CG2 VAL B 141 12.284 5.263 11.515 1.00 1.42 C ATOM 0 H VAL B 141 13.876 6.344 9.764 1.00 0.52 H new ATOM 0 HA VAL B 141 14.880 4.557 11.659 1.00 0.60 H new ATOM 0 HB VAL B 141 12.598 4.200 9.666 1.00 0.66 H new ATOM 0 HG11 VAL B 141 11.700 2.606 11.339 1.00 1.35 H new ATOM 0 HG12 VAL B 141 13.276 2.060 10.718 1.00 1.35 H new ATOM 0 HG13 VAL B 141 13.166 2.815 12.326 1.00 1.35 H new ATOM 0 HG21 VAL B 141 11.216 5.049 11.545 1.00 1.42 H new ATOM 0 HG22 VAL B 141 12.683 5.258 12.529 1.00 1.42 H new ATOM 0 HG23 VAL B 141 12.445 6.243 11.066 1.00 1.42 H new TER 1110 VAL B 141 END