USER MOD reduce.3.24.130724 H: found=0, std=0, add=1311, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1316 hydrogens (20 hets) HEADER ONCOGENE PROTEIN 24-NOV-93 1CRQ TITLE THE SOLUTION STRUCTURE AND DYNAMICS OF RAS P21. GDP TITLE 2 DETERMINED BY HETERONUCLEAR THREE AND FOUR DIMENSIONAL NMR TITLE 3 SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: C-H-RAS P21 PROTEIN; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606 KEYWDS ONCOGENE PROTEIN EXPDTA SOLUTION NMR AUTHOR P.J.KRAULIS,P.J.DOMAILLE,S.L.CAMPBELL-BURK,T.VAN AKEN, AUTHOR 2 E.D.LAUE REVDAT 2 24-FEB-09 1CRQ 1 VERSN REVDAT 1 31-JUL-94 1CRQ 0 JRNL AUTH P.J.KRAULIS,P.J.DOMAILLE,S.L.CAMPBELL-BURK, JRNL AUTH 2 T.VAN AKEN,E.D.LAUE JRNL TITL SOLUTION STRUCTURE AND DYNAMICS OF RAS P21.GDP JRNL TITL 2 DETERMINED BY HETERONUCLEAR THREE- AND JRNL TITL 3 FOUR-DIMENSIONAL NMR SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 33 3515 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 8142349 JRNL DOI 10.1021/BI00178A008 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.L.CAMPBELL-BURK,P.J.DOMAILLE,M.A.STAROVASNIK, REMARK 1 AUTH 2 W.BOUCHER,E.D.LAUE REMARK 1 TITL SEQUENTIAL ASSIGNMENT OF THE BACKBONE NUCLEI (1H, REMARK 1 TITL 2 15N, AND 13C) OF C-H-RAS P21 (1-166).GDP USING A REMARK 1 TITL 3 NOVEL 4D NMR STRATEGY REMARK 1 REF J.BIOMOL.NMR V. 2 639 1992 REMARK 1 REFN ISSN 0925-2738 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1CRQ 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 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 VAL A 7 92.92 -55.30 REMARK 500 ILE A 24 -85.16 -98.15 REMARK 500 ASN A 26 76.84 68.42 REMARK 500 HIS A 27 144.46 -178.23 REMARK 500 TYR A 32 40.82 -96.61 REMARK 500 ASP A 33 90.49 49.08 REMARK 500 THR A 35 48.53 -91.13 REMARK 500 ALA A 59 -161.54 -122.72 REMARK 500 GLN A 61 113.95 62.71 REMARK 500 GLU A 62 -163.99 -103.01 REMARK 500 GLU A 63 -163.37 70.20 REMARK 500 GLU A 76 -39.39 -140.96 REMARK 500 CYS A 80 88.74 -66.72 REMARK 500 THR A 87 -45.03 84.23 REMARK 500 ASP A 107 72.92 -114.44 REMARK 500 ASP A 108 45.25 -156.89 REMARK 500 PRO A 110 84.03 -69.59 REMARK 500 ALA A 122 92.63 -59.76 REMARK 500 THR A 148 25.45 -166.05 REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 MG A 201 MG REMARK 620 N RES CSSEQI ATOM REMARK 620 1 SER A 17 OG REMARK 620 2 HOH A 202 O 75.9 REMARK 620 3 GDP A 200 O1B 66.2 77.3 REMARK 620 4 HOH A 204 O 138.7 63.3 97.3 REMARK 620 5 HOH A 205 O 131.0 129.7 79.0 76.7 REMARK 620 6 HOH A 203 O 76.0 108.2 139.3 121.7 118.6 REMARK 620 N 1 2 3 4 5 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE MG A 201 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GDP A 200 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1CRP RELATED DB: PDB REMARK 900 RELATED ID: 1CRR RELATED DB: PDB DBREF 1CRQ A 1 166 UNP P01112 RASH_HUMAN 1 166 SEQRES 1 A 166 MET THR GLU TYR LYS LEU VAL VAL VAL GLY ALA GLY GLY SEQRES 2 A 166 VAL GLY LYS SER ALA LEU THR ILE GLN LEU ILE GLN ASN SEQRES 3 A 166 HIS PHE VAL ASP GLU TYR ASP PRO THR ILE GLU ASP SER SEQRES 4 A 166 TYR ARG LYS GLN VAL VAL ILE ASP GLY GLU THR CYS LEU SEQRES 5 A 166 LEU ASP ILE LEU ASP THR ALA GLY GLN GLU GLU TYR SER SEQRES 6 A 166 ALA MET ARG ASP GLN TYR MET ARG THR GLY GLU GLY PHE SEQRES 7 A 166 LEU CYS VAL PHE ALA ILE ASN ASN THR LYS SER PHE GLU SEQRES 8 A 166 ASP ILE HIS GLN TYR ARG GLU GLN ILE LYS ARG VAL LYS SEQRES 9 A 166 ASP SER ASP ASP VAL PRO MET VAL LEU VAL GLY ASN LYS SEQRES 10 A 166 CYS ASP LEU ALA ALA ARG THR VAL GLU SER ARG GLN ALA SEQRES 11 A 166 GLN ASP LEU ALA ARG SER TYR GLY ILE PRO TYR ILE GLU SEQRES 12 A 166 THR SER ALA LYS THR ARG GLN GLY VAL GLU ASP ALA PHE SEQRES 13 A 166 TYR THR LEU VAL ARG GLU ILE ARG GLN HIS HET MG A 201 1 HET GDP A 200 40 HETNAM MG MAGNESIUM ION HETNAM GDP GUANOSINE-5'-DIPHOSPHATE FORMUL 2 MG MG 2+ FORMUL 3 GDP C10 H15 N5 O11 P2 FORMUL 4 HOH *4(H2 O) HELIX 1 A1 GLY A 15 GLN A 25 1 11 HELIX 2 A2 ALA A 66 GLY A 75 1 10 HELIX 3 A3 THR A 87 LYS A 104 1 18 HELIX 4 A4 SER A 127 GLY A 138 1 12 HELIX 5 A5 VAL A 152 HIS A 166 1 15 SHEET 1 S1 5 ASP A 38 ILE A 46 0 SHEET 2 S1 5 GLU A 49 ASP A 57 -1 O LEU A 53 N LYS A 42 SHEET 3 S1 5 THR A 2 VAL A 9 1 O LEU A 6 N LEU A 56 SHEET 4 S1 5 GLY A 77 ILE A 84 1 O LEU A 79 N VAL A 9 SHEET 5 S1 5 PRO A 110 LYS A 117 1 O VAL A 112 N CYS A 80 LINK MG MG A 201 OG SER A 17 1555 1555 2.49 LINK MG MG A 201 O HOH A 202 1555 1555 2.66 LINK MG MG A 201 O1B GDP A 200 1555 1555 2.47 LINK MG MG A 201 O HOH A 204 1555 1555 2.68 LINK MG MG A 201 O HOH A 205 1555 1555 2.63 LINK MG MG A 201 O HOH A 203 1555 1555 2.62 SITE *** AC1 6 SER A 17 GDP A 200 HOH A 202 HOH A 203 SITE *** AC1 6 HOH A 204 HOH A 205 SITE *** AC2 13 GLY A 12 GLY A 13 GLY A 15 LYS A 16 SITE *** AC2 13 SER A 17 ALA A 18 ASP A 30 ASN A 116 SITE *** AC2 13 ASP A 119 SER A 145 ALA A 146 LYS A 147 SITE *** AC2 13 MG A 201 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: A 116 ASN :FLIP amide:sc= -3.43! C(o=-9.9!,f=-6.1!) USER MOD Set 1.2: A 144 THR OG1 : rot 160:sc= -2.63! USER MOD Set 2.1: A 94 HIS : no HD1:sc= 0.0527 K(o=0.18,f=-1.1) USER MOD Set 2.2: A 137 TYR OH : rot -105:sc= 0.125 USER MOD Set 3.1: A 86 ASN : amide:sc= -0.788 K(o=-0.95,f=-6.7!) USER MOD Set 3.2: A 89 SER OG : rot -70:sc= -0.16 USER MOD Set 4.1: A 85 ASN : amide:sc= -0.54 K(o=-0.16,f=-3.1!) USER MOD Set 4.2: A 124 THR OG1 : rot 50:sc= 0.383 USER MOD Set 5.1: A 32 TYR OH : rot 168:sc= 0.0213 USER MOD Set 5.2: A 40 TYR OH : rot 180:sc= -0.201 USER MOD Set 6.1: A 16 LYS NZ :NH3+ -165:sc= 0.0254 (180deg=-0.307) USER MOD Set 6.2: A 58 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: A 2 THR OG1 : rot 180:sc= 0 USER MOD Set 7.2: A 4 TYR OH : rot 180:sc= -1.84! USER MOD Set 8.1: A 1 MET CE :methyl -151:sc= -1.04 (180deg=0) USER MOD Set 8.2: A 43 GLN : amide:sc= -1.14 K(o=-2.2,f=-5.7!) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0 (180deg=-0.0448) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -33:sc= 1.59 USER MOD Single : A 20 THR OG1 : rot 74:sc= 0.062 USER MOD Single : A 22 GLN : amide:sc= -4.31 K(o=-4.3,f=-6.4!) USER MOD Single : A 25 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.6!) USER MOD Single : A 26 ASN : amide:sc= -0.259 K(o=-0.26,f=-3.1!) USER MOD Single : A 27 HIS : no HE2:sc= -7.11! C(o=-7.1!,f=-13!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 17:sc= 0.59 USER MOD Single : A 42 LYS NZ :NH3+ -127:sc= -0.014 (180deg=-0.222) USER MOD Single : A 50 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 51 CYS SG : rot 39:sc= -0.693 USER MOD Single : A 61 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.74) USER MOD Single : A 64 TYR OH : rot 180:sc= -0.165 USER MOD Single : A 65 SER OG : rot 74:sc= 0.0427 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 153:sc= -0.351 (180deg=-0.592) USER MOD Single : A 74 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 80 CYS SG : rot 180:sc= -0.0488 USER MOD Single : A 87 THR OG1 : rot 90:sc= -0.0538 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.206 K(o=-0.21,f=-1.7!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.5!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 63:sc= 1.3 USER MOD Single : A 111 MET CE :methyl -163:sc= -0.0693 (180deg=-0.6) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot -46:sc= -1.51! USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 131 GLN : amide:sc= -0.297 K(o=-0.3,f=-2.3!) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 141 TYR OH : rot -7:sc= 0.0526 USER MOD Single : A 145 SER OG : rot 50:sc= -1.37 USER MOD Single : A 147 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 148 THR OG1 : rot -60:sc= 1.04 USER MOD Single : A 150 GLN : amide:sc= -0.0244 K(o=-0.024,f=-1.1) USER MOD Single : A 157 TYR OH : rot 180:sc= 0 USER MOD Single : A 158 THR OG1 : rot 117:sc= 1.21 USER MOD Single : A 165 GLN : amide:sc= -0.227 K(o=-0.23,f=-1.8!) USER MOD Single : A 166 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 200 GDP O2' : rot 17:sc= 0.388 USER MOD Single : A 200 GDP O3' : rot -178:sc= 0.251 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 64.128 50.630 32.272 1.00 1.41 N ATOM 2 CA MET A 1 64.150 51.835 33.149 1.00 0.88 C ATOM 3 C MET A 1 63.996 53.093 32.292 1.00 0.86 C ATOM 4 O MET A 1 64.864 53.430 31.509 1.00 1.65 O ATOM 5 CB MET A 1 65.480 51.893 33.904 1.00 0.96 C ATOM 6 CG MET A 1 65.432 50.937 35.098 1.00 1.17 C ATOM 7 SD MET A 1 67.108 50.673 35.727 1.00 1.61 S ATOM 8 CE MET A 1 67.144 52.068 36.879 1.00 1.23 C ATOM 0 H1 MET A 1 63.377 49.984 32.588 1.00 1.41 H new ATOM 0 H2 MET A 1 63.946 50.919 31.290 1.00 1.41 H new ATOM 0 H3 MET A 1 65.046 50.145 32.325 1.00 1.41 H new ATOM 0 HA MET A 1 63.329 51.779 33.863 1.00 0.88 H new ATOM 0 HB2 MET A 1 66.300 51.620 33.239 1.00 0.96 H new ATOM 0 HB3 MET A 1 65.672 52.910 34.246 1.00 0.96 H new ATOM 0 HG2 MET A 1 64.798 51.350 35.883 1.00 1.17 H new ATOM 0 HG3 MET A 1 64.990 49.986 34.799 1.00 1.17 H new ATOM 0 HE1 MET A 1 68.169 52.420 36.992 1.00 1.23 H new ATOM 0 HE2 MET A 1 66.523 52.876 36.491 1.00 1.23 H new ATOM 0 HE3 MET A 1 66.761 51.749 37.848 1.00 1.23 H new ATOM 20 N THR A 2 62.896 53.789 32.438 1.00 0.85 N ATOM 21 CA THR A 2 62.676 55.028 31.636 1.00 0.72 C ATOM 22 C THR A 2 63.314 56.220 32.352 1.00 0.59 C ATOM 23 O THR A 2 63.774 56.107 33.473 1.00 0.64 O ATOM 24 CB THR A 2 61.182 55.272 31.475 1.00 0.81 C ATOM 25 OG1 THR A 2 60.492 54.030 31.494 1.00 1.01 O ATOM 26 CG2 THR A 2 60.920 55.983 30.147 1.00 0.88 C ATOM 0 H THR A 2 62.140 53.550 33.080 1.00 0.85 H new ATOM 0 HA THR A 2 63.132 54.909 30.653 1.00 0.72 H new ATOM 0 HB THR A 2 60.827 55.895 32.296 1.00 0.81 H new ATOM 0 HG1 THR A 2 59.530 54.188 31.392 1.00 1.01 H new ATOM 0 HG21 THR A 2 59.850 56.157 30.032 1.00 0.88 H new ATOM 0 HG22 THR A 2 61.446 56.937 30.135 1.00 0.88 H new ATOM 0 HG23 THR A 2 61.276 55.362 29.325 1.00 0.88 H new ATOM 34 N GLU A 3 63.347 57.361 31.709 1.00 0.59 N ATOM 35 CA GLU A 3 63.957 58.566 32.344 1.00 0.62 C ATOM 36 C GLU A 3 63.057 59.782 32.110 1.00 0.55 C ATOM 37 O GLU A 3 62.814 60.177 30.985 1.00 0.77 O ATOM 38 CB GLU A 3 65.334 58.824 31.727 1.00 0.85 C ATOM 39 CG GLU A 3 66.412 58.155 32.582 1.00 1.20 C ATOM 40 CD GLU A 3 67.767 58.276 31.882 1.00 1.58 C ATOM 41 OE1 GLU A 3 68.076 59.360 31.416 1.00 1.90 O ATOM 42 OE2 GLU A 3 68.474 57.283 31.825 1.00 2.27 O ATOM 0 H GLU A 3 62.977 57.508 30.770 1.00 0.59 H new ATOM 0 HA GLU A 3 64.063 58.396 33.415 1.00 0.62 H new ATOM 0 HB2 GLU A 3 65.367 58.433 30.710 1.00 0.85 H new ATOM 0 HB3 GLU A 3 65.520 59.896 31.662 1.00 0.85 H new ATOM 0 HG2 GLU A 3 66.455 58.625 33.565 1.00 1.20 H new ATOM 0 HG3 GLU A 3 66.165 57.105 32.741 1.00 1.20 H new ATOM 49 N TYR A 4 62.567 60.379 33.167 1.00 0.44 N ATOM 50 CA TYR A 4 61.684 61.574 33.020 1.00 0.43 C ATOM 51 C TYR A 4 62.314 62.759 33.758 1.00 0.42 C ATOM 52 O TYR A 4 63.027 62.583 34.727 1.00 0.53 O ATOM 53 CB TYR A 4 60.309 61.269 33.619 1.00 0.48 C ATOM 54 CG TYR A 4 59.738 60.033 32.965 1.00 0.50 C ATOM 55 CD1 TYR A 4 59.545 60.000 31.579 1.00 1.07 C ATOM 56 CD2 TYR A 4 59.402 58.920 33.746 1.00 1.05 C ATOM 57 CE1 TYR A 4 59.016 58.854 30.973 1.00 1.12 C ATOM 58 CE2 TYR A 4 58.873 57.773 33.139 1.00 1.10 C ATOM 59 CZ TYR A 4 58.680 57.741 31.753 1.00 0.68 C ATOM 60 OH TYR A 4 58.159 56.611 31.155 1.00 0.80 O ATOM 0 H TYR A 4 62.742 60.088 34.129 1.00 0.44 H new ATOM 0 HA TYR A 4 61.571 61.820 31.964 1.00 0.43 H new ATOM 0 HB2 TYR A 4 60.395 61.118 34.695 1.00 0.48 H new ATOM 0 HB3 TYR A 4 59.639 62.116 33.469 1.00 0.48 H new ATOM 0 HD1 TYR A 4 59.804 60.858 30.977 1.00 1.07 H new ATOM 0 HD2 TYR A 4 59.551 58.946 34.815 1.00 1.05 H new ATOM 0 HE1 TYR A 4 58.867 58.829 29.904 1.00 1.12 H new ATOM 0 HE2 TYR A 4 58.614 56.914 33.740 1.00 1.10 H new ATOM 0 HH TYR A 4 57.982 55.931 31.838 1.00 0.80 H new ATOM 70 N LYS A 5 62.063 63.961 33.302 1.00 0.40 N ATOM 71 CA LYS A 5 62.655 65.158 33.971 1.00 0.44 C ATOM 72 C LYS A 5 61.567 65.929 34.725 1.00 0.43 C ATOM 73 O LYS A 5 60.586 66.357 34.147 1.00 0.62 O ATOM 74 CB LYS A 5 63.277 66.071 32.913 1.00 0.55 C ATOM 75 CG LYS A 5 64.736 65.675 32.681 1.00 0.91 C ATOM 76 CD LYS A 5 65.150 66.062 31.259 1.00 0.91 C ATOM 77 CE LYS A 5 66.589 65.611 31.005 1.00 1.51 C ATOM 78 NZ LYS A 5 66.789 65.386 29.545 1.00 2.01 N ATOM 0 H LYS A 5 61.473 64.164 32.495 1.00 0.40 H new ATOM 0 HA LYS A 5 63.419 64.832 34.677 1.00 0.44 H new ATOM 0 HB2 LYS A 5 62.718 65.996 31.981 1.00 0.55 H new ATOM 0 HB3 LYS A 5 63.220 67.110 33.237 1.00 0.55 H new ATOM 0 HG2 LYS A 5 65.379 66.173 33.407 1.00 0.91 H new ATOM 0 HG3 LYS A 5 64.861 64.602 32.828 1.00 0.91 H new ATOM 0 HD2 LYS A 5 64.480 65.599 30.535 1.00 0.91 H new ATOM 0 HD3 LYS A 5 65.067 67.141 31.126 1.00 0.91 H new ATOM 0 HE2 LYS A 5 67.287 66.366 31.366 1.00 1.51 H new ATOM 0 HE3 LYS A 5 66.797 64.694 31.557 1.00 1.51 H new ATOM 0 HZ1 LYS A 5 67.768 65.079 29.372 1.00 2.01 H new ATOM 0 HZ2 LYS A 5 66.132 64.651 29.214 1.00 2.01 H new ATOM 0 HZ3 LYS A 5 66.607 66.271 29.029 1.00 2.01 H new ATOM 92 N LEU A 6 61.742 66.119 36.011 1.00 0.42 N ATOM 93 CA LEU A 6 60.728 66.875 36.807 1.00 0.40 C ATOM 94 C LEU A 6 61.087 68.361 36.784 1.00 0.45 C ATOM 95 O LEU A 6 61.519 68.931 37.766 1.00 0.95 O ATOM 96 CB LEU A 6 60.711 66.365 38.251 1.00 0.39 C ATOM 97 CG LEU A 6 60.547 64.844 38.259 1.00 0.40 C ATOM 98 CD1 LEU A 6 60.670 64.325 39.693 1.00 0.62 C ATOM 99 CD2 LEU A 6 59.170 64.477 37.700 1.00 0.73 C ATOM 0 H LEU A 6 62.545 65.782 36.543 1.00 0.42 H new ATOM 0 HA LEU A 6 59.739 66.729 36.374 1.00 0.40 H new ATOM 0 HB2 LEU A 6 61.636 66.643 38.756 1.00 0.39 H new ATOM 0 HB3 LEU A 6 59.894 66.831 38.802 1.00 0.39 H new ATOM 0 HG LEU A 6 61.323 64.392 37.641 1.00 0.40 H new ATOM 0 HD11 LEU A 6 60.553 63.241 39.699 1.00 0.62 H new ATOM 0 HD12 LEU A 6 61.650 64.587 40.092 1.00 0.62 H new ATOM 0 HD13 LEU A 6 59.894 64.777 40.311 1.00 0.62 H new ATOM 0 HD21 LEU A 6 59.052 63.393 37.705 1.00 0.73 H new ATOM 0 HD22 LEU A 6 58.394 64.929 38.318 1.00 0.73 H new ATOM 0 HD23 LEU A 6 59.082 64.847 36.678 1.00 0.73 H new ATOM 111 N VAL A 7 60.909 68.984 35.651 1.00 0.28 N ATOM 112 CA VAL A 7 61.230 70.446 35.507 1.00 0.26 C ATOM 113 C VAL A 7 60.466 71.249 36.574 1.00 0.24 C ATOM 114 O VAL A 7 59.332 71.633 36.371 1.00 0.29 O ATOM 115 CB VAL A 7 60.808 70.944 34.108 1.00 0.29 C ATOM 116 CG1 VAL A 7 61.543 72.238 33.784 1.00 0.40 C ATOM 117 CG2 VAL A 7 61.156 69.910 33.030 1.00 0.44 C ATOM 0 H VAL A 7 60.551 68.542 34.804 1.00 0.28 H new ATOM 0 HA VAL A 7 62.303 70.585 35.635 1.00 0.26 H new ATOM 0 HB VAL A 7 59.730 71.105 34.118 1.00 0.29 H new ATOM 0 HG11 VAL A 7 61.244 72.589 32.796 1.00 0.40 H new ATOM 0 HG12 VAL A 7 61.293 72.994 34.528 1.00 0.40 H new ATOM 0 HG13 VAL A 7 62.618 72.058 33.795 1.00 0.40 H new ATOM 0 HG21 VAL A 7 60.849 70.285 32.054 1.00 0.44 H new ATOM 0 HG22 VAL A 7 62.232 69.734 33.029 1.00 0.44 H new ATOM 0 HG23 VAL A 7 60.635 68.976 33.240 1.00 0.44 H new ATOM 127 N VAL A 8 61.074 71.497 37.711 1.00 0.26 N ATOM 128 CA VAL A 8 60.371 72.263 38.789 1.00 0.27 C ATOM 129 C VAL A 8 60.514 73.772 38.542 1.00 0.28 C ATOM 130 O VAL A 8 61.510 74.241 38.027 1.00 0.36 O ATOM 131 CB VAL A 8 60.972 71.889 40.157 1.00 0.34 C ATOM 132 CG1 VAL A 8 60.338 72.735 41.272 1.00 0.41 C ATOM 133 CG2 VAL A 8 60.697 70.409 40.441 1.00 0.38 C ATOM 0 H VAL A 8 62.024 71.203 37.938 1.00 0.26 H new ATOM 0 HA VAL A 8 59.311 72.009 38.781 1.00 0.27 H new ATOM 0 HB VAL A 8 62.045 72.078 40.132 1.00 0.34 H new ATOM 0 HG11 VAL A 8 60.774 72.458 42.232 1.00 0.41 H new ATOM 0 HG12 VAL A 8 60.527 73.791 41.079 1.00 0.41 H new ATOM 0 HG13 VAL A 8 59.263 72.557 41.297 1.00 0.41 H new ATOM 0 HG21 VAL A 8 61.121 70.139 41.408 1.00 0.38 H new ATOM 0 HG22 VAL A 8 59.621 70.235 40.455 1.00 0.38 H new ATOM 0 HG23 VAL A 8 61.153 69.798 39.662 1.00 0.38 H new ATOM 143 N VAL A 9 59.514 74.526 38.925 1.00 0.29 N ATOM 144 CA VAL A 9 59.553 76.010 38.742 1.00 0.33 C ATOM 145 C VAL A 9 58.551 76.649 39.704 1.00 0.40 C ATOM 146 O VAL A 9 57.404 76.254 39.756 1.00 0.77 O ATOM 147 CB VAL A 9 59.168 76.382 37.304 1.00 0.37 C ATOM 148 CG1 VAL A 9 60.332 76.068 36.362 1.00 0.97 C ATOM 149 CG2 VAL A 9 57.931 75.588 36.867 1.00 0.95 C ATOM 0 H VAL A 9 58.663 74.173 39.362 1.00 0.29 H new ATOM 0 HA VAL A 9 60.562 76.369 38.943 1.00 0.33 H new ATOM 0 HB VAL A 9 58.942 77.447 37.264 1.00 0.37 H new ATOM 0 HG11 VAL A 9 60.056 76.333 35.341 1.00 0.97 H new ATOM 0 HG12 VAL A 9 61.208 76.643 36.662 1.00 0.97 H new ATOM 0 HG13 VAL A 9 60.563 75.004 36.411 1.00 0.97 H new ATOM 0 HG21 VAL A 9 57.667 75.860 35.845 1.00 0.95 H new ATOM 0 HG22 VAL A 9 58.148 74.521 36.914 1.00 0.95 H new ATOM 0 HG23 VAL A 9 57.098 75.818 37.531 1.00 0.95 H new ATOM 159 N GLY A 10 58.968 77.629 40.466 1.00 0.40 N ATOM 160 CA GLY A 10 58.021 78.278 41.422 1.00 0.42 C ATOM 161 C GLY A 10 58.684 79.479 42.097 1.00 0.48 C ATOM 162 O GLY A 10 59.746 79.922 41.703 1.00 1.06 O ATOM 0 H GLY A 10 59.916 78.005 40.468 1.00 0.40 H new ATOM 0 HA2 GLY A 10 57.124 78.600 40.893 1.00 0.42 H new ATOM 0 HA3 GLY A 10 57.705 77.557 42.176 1.00 0.42 H new ATOM 166 N ALA A 11 58.050 80.009 43.111 1.00 0.57 N ATOM 167 CA ALA A 11 58.613 81.186 43.830 1.00 0.52 C ATOM 168 C ALA A 11 59.811 80.749 44.676 1.00 0.56 C ATOM 169 O ALA A 11 59.881 79.623 45.132 1.00 0.73 O ATOM 170 CB ALA A 11 57.532 81.782 44.739 1.00 0.49 C ATOM 0 H ALA A 11 57.158 79.672 43.473 1.00 0.57 H new ATOM 0 HA ALA A 11 58.940 81.934 43.108 1.00 0.52 H new ATOM 0 HB1 ALA A 11 57.937 82.644 45.269 1.00 0.49 H new ATOM 0 HB2 ALA A 11 56.680 82.094 44.135 1.00 0.49 H new ATOM 0 HB3 ALA A 11 57.209 81.032 45.461 1.00 0.49 H new ATOM 176 N GLY A 12 60.747 81.637 44.894 1.00 0.53 N ATOM 177 CA GLY A 12 61.940 81.286 45.718 1.00 0.58 C ATOM 178 C GLY A 12 61.551 81.300 47.197 1.00 0.53 C ATOM 179 O GLY A 12 61.582 82.330 47.844 1.00 0.73 O ATOM 0 H GLY A 12 60.735 82.592 44.536 1.00 0.53 H new ATOM 0 HA2 GLY A 12 62.314 80.301 45.437 1.00 0.58 H new ATOM 0 HA3 GLY A 12 62.746 81.997 45.535 1.00 0.58 H new ATOM 183 N GLY A 13 61.180 80.165 47.733 1.00 0.50 N ATOM 184 CA GLY A 13 60.781 80.107 49.171 1.00 0.53 C ATOM 185 C GLY A 13 59.559 79.195 49.343 1.00 0.53 C ATOM 186 O GLY A 13 59.265 78.752 50.437 1.00 0.89 O ATOM 0 H GLY A 13 61.136 79.275 47.236 1.00 0.50 H new ATOM 0 HA2 GLY A 13 61.610 79.734 49.772 1.00 0.53 H new ATOM 0 HA3 GLY A 13 60.551 81.109 49.533 1.00 0.53 H new ATOM 190 N VAL A 14 58.843 78.909 48.277 1.00 0.40 N ATOM 191 CA VAL A 14 57.640 78.023 48.387 1.00 0.36 C ATOM 192 C VAL A 14 58.035 76.685 49.032 1.00 0.36 C ATOM 193 O VAL A 14 57.254 76.066 49.727 1.00 0.41 O ATOM 194 CB VAL A 14 57.068 77.759 46.986 1.00 0.33 C ATOM 195 CG1 VAL A 14 56.634 79.069 46.339 1.00 0.42 C ATOM 196 CG2 VAL A 14 58.135 77.112 46.109 1.00 0.36 C ATOM 0 H VAL A 14 59.041 79.252 47.337 1.00 0.40 H new ATOM 0 HA VAL A 14 56.889 78.515 49.005 1.00 0.36 H new ATOM 0 HB VAL A 14 56.208 77.096 47.082 1.00 0.33 H new ATOM 0 HG11 VAL A 14 56.230 78.868 45.347 1.00 0.42 H new ATOM 0 HG12 VAL A 14 55.868 79.542 46.953 1.00 0.42 H new ATOM 0 HG13 VAL A 14 57.493 79.735 46.254 1.00 0.42 H new ATOM 0 HG21 VAL A 14 57.726 76.926 45.116 1.00 0.36 H new ATOM 0 HG22 VAL A 14 58.994 77.779 46.029 1.00 0.36 H new ATOM 0 HG23 VAL A 14 58.449 76.168 46.555 1.00 0.36 H new ATOM 206 N GLY A 15 59.245 76.244 48.794 1.00 0.35 N ATOM 207 CA GLY A 15 59.709 74.948 49.376 1.00 0.39 C ATOM 208 C GLY A 15 60.030 73.965 48.244 1.00 0.38 C ATOM 209 O GLY A 15 59.848 72.769 48.381 1.00 0.42 O ATOM 0 H GLY A 15 59.934 76.728 48.219 1.00 0.35 H new ATOM 0 HA2 GLY A 15 60.593 75.110 49.993 1.00 0.39 H new ATOM 0 HA3 GLY A 15 58.939 74.532 50.026 1.00 0.39 H new ATOM 213 N LYS A 16 60.504 74.462 47.128 1.00 0.39 N ATOM 214 CA LYS A 16 60.837 73.566 45.980 1.00 0.44 C ATOM 215 C LYS A 16 61.998 72.652 46.365 1.00 0.38 C ATOM 216 O LYS A 16 61.929 71.447 46.211 1.00 0.37 O ATOM 217 CB LYS A 16 61.250 74.407 44.765 1.00 0.57 C ATOM 218 CG LYS A 16 60.217 75.506 44.511 1.00 0.90 C ATOM 219 CD LYS A 16 60.471 76.141 43.143 1.00 0.94 C ATOM 220 CE LYS A 16 61.795 76.906 43.177 1.00 0.84 C ATOM 221 NZ LYS A 16 62.053 77.517 41.842 1.00 1.31 N ATOM 0 H LYS A 16 60.675 75.454 46.963 1.00 0.39 H new ATOM 0 HA LYS A 16 59.960 72.969 45.731 1.00 0.44 H new ATOM 0 HB2 LYS A 16 62.230 74.851 44.937 1.00 0.57 H new ATOM 0 HB3 LYS A 16 61.339 73.770 43.885 1.00 0.57 H new ATOM 0 HG2 LYS A 16 59.211 75.089 44.549 1.00 0.90 H new ATOM 0 HG3 LYS A 16 60.278 76.264 45.292 1.00 0.90 H new ATOM 0 HD2 LYS A 16 60.503 75.371 42.372 1.00 0.94 H new ATOM 0 HD3 LYS A 16 59.655 76.816 42.886 1.00 0.94 H new ATOM 0 HE2 LYS A 16 61.759 77.681 43.942 1.00 0.84 H new ATOM 0 HE3 LYS A 16 62.609 76.232 43.443 1.00 0.84 H new ATOM 0 HZ1 LYS A 16 63.048 77.814 41.783 1.00 1.31 H new ATOM 0 HZ2 LYS A 16 61.855 76.819 41.097 1.00 1.31 H new ATOM 0 HZ3 LYS A 16 61.436 78.345 41.714 1.00 1.31 H new ATOM 235 N SER A 17 63.068 73.221 46.858 1.00 0.42 N ATOM 236 CA SER A 17 64.248 72.399 47.248 1.00 0.41 C ATOM 237 C SER A 17 63.874 71.457 48.390 1.00 0.37 C ATOM 238 O SER A 17 64.001 70.262 48.266 1.00 0.37 O ATOM 239 CB SER A 17 65.386 73.316 47.698 1.00 0.50 C ATOM 240 OG SER A 17 65.591 74.325 46.718 1.00 0.83 O ATOM 0 H SER A 17 63.174 74.225 47.007 1.00 0.42 H new ATOM 0 HA SER A 17 64.570 71.811 46.389 1.00 0.41 H new ATOM 0 HB2 SER A 17 65.144 73.770 48.659 1.00 0.50 H new ATOM 0 HB3 SER A 17 66.300 72.739 47.839 1.00 0.50 H new ATOM 0 HG SER A 17 65.392 73.963 45.829 1.00 0.83 H new ATOM 246 N ALA A 18 63.420 71.984 49.506 1.00 0.38 N ATOM 247 CA ALA A 18 63.047 71.112 50.675 1.00 0.36 C ATOM 248 C ALA A 18 62.174 69.931 50.221 1.00 0.33 C ATOM 249 O ALA A 18 62.201 68.871 50.816 1.00 0.35 O ATOM 250 CB ALA A 18 62.280 71.945 51.704 1.00 0.41 C ATOM 0 H ALA A 18 63.291 72.984 49.660 1.00 0.38 H new ATOM 0 HA ALA A 18 63.961 70.717 51.119 1.00 0.36 H new ATOM 0 HB1 ALA A 18 62.009 71.316 52.552 1.00 0.41 H new ATOM 0 HB2 ALA A 18 62.908 72.767 52.048 1.00 0.41 H new ATOM 0 HB3 ALA A 18 61.376 72.347 51.246 1.00 0.41 H new ATOM 256 N LEU A 19 61.423 70.102 49.161 1.00 0.35 N ATOM 257 CA LEU A 19 60.572 68.983 48.659 1.00 0.37 C ATOM 258 C LEU A 19 61.467 67.961 47.952 1.00 0.35 C ATOM 259 O LEU A 19 61.355 66.769 48.163 1.00 0.36 O ATOM 260 CB LEU A 19 59.537 69.528 47.671 1.00 0.47 C ATOM 261 CG LEU A 19 58.294 69.991 48.434 1.00 0.74 C ATOM 262 CD1 LEU A 19 57.354 70.733 47.480 1.00 1.31 C ATOM 263 CD2 LEU A 19 57.573 68.773 49.017 1.00 1.17 C ATOM 0 H LEU A 19 61.364 70.967 48.624 1.00 0.35 H new ATOM 0 HA LEU A 19 60.054 68.509 49.493 1.00 0.37 H new ATOM 0 HB2 LEU A 19 59.960 70.359 47.107 1.00 0.47 H new ATOM 0 HB3 LEU A 19 59.267 68.757 46.949 1.00 0.47 H new ATOM 0 HG LEU A 19 58.591 70.660 49.242 1.00 0.74 H new ATOM 0 HD11 LEU A 19 56.469 71.062 48.024 1.00 1.31 H new ATOM 0 HD12 LEU A 19 57.868 71.600 47.064 1.00 1.31 H new ATOM 0 HD13 LEU A 19 57.055 70.066 46.671 1.00 1.31 H new ATOM 0 HD21 LEU A 19 56.687 69.101 49.561 1.00 1.17 H new ATOM 0 HD22 LEU A 19 57.276 68.105 48.209 1.00 1.17 H new ATOM 0 HD23 LEU A 19 58.242 68.245 49.697 1.00 1.17 H new ATOM 275 N THR A 20 62.357 68.430 47.115 1.00 0.36 N ATOM 276 CA THR A 20 63.278 67.511 46.383 1.00 0.41 C ATOM 277 C THR A 20 64.153 66.746 47.389 1.00 0.41 C ATOM 278 O THR A 20 64.068 65.539 47.504 1.00 0.42 O ATOM 279 CB THR A 20 64.162 68.342 45.441 1.00 0.46 C ATOM 280 OG1 THR A 20 63.333 69.050 44.529 1.00 0.48 O ATOM 281 CG2 THR A 20 65.104 67.422 44.660 1.00 0.53 C ATOM 0 H THR A 20 62.485 69.420 46.906 1.00 0.36 H new ATOM 0 HA THR A 20 62.701 66.791 45.802 1.00 0.41 H new ATOM 0 HB THR A 20 64.754 69.044 46.028 1.00 0.46 H new ATOM 0 HG1 THR A 20 62.898 69.795 44.993 1.00 0.48 H new ATOM 0 HG21 THR A 20 65.727 68.019 43.995 1.00 0.53 H new ATOM 0 HG22 THR A 20 65.739 66.875 45.357 1.00 0.53 H new ATOM 0 HG23 THR A 20 64.518 66.716 44.072 1.00 0.53 H new ATOM 289 N ILE A 21 64.996 67.446 48.113 1.00 0.44 N ATOM 290 CA ILE A 21 65.896 66.784 49.121 1.00 0.48 C ATOM 291 C ILE A 21 65.094 65.839 50.011 1.00 0.43 C ATOM 292 O ILE A 21 65.589 64.817 50.445 1.00 0.48 O ATOM 293 CB ILE A 21 66.533 67.839 50.029 1.00 0.54 C ATOM 294 CG1 ILE A 21 67.121 68.987 49.195 1.00 0.61 C ATOM 295 CG2 ILE A 21 67.638 67.192 50.861 1.00 0.71 C ATOM 296 CD1 ILE A 21 66.401 70.285 49.558 1.00 0.46 C ATOM 0 H ILE A 21 65.102 68.459 48.050 1.00 0.44 H new ATOM 0 HA ILE A 21 66.661 66.233 48.574 1.00 0.48 H new ATOM 0 HB ILE A 21 65.765 68.246 50.687 1.00 0.54 H new ATOM 0 HG12 ILE A 21 68.190 69.083 49.387 1.00 0.61 H new ATOM 0 HG13 ILE A 21 67.006 68.777 48.132 1.00 0.61 H new ATOM 0 HG21 ILE A 21 68.093 67.942 51.508 1.00 0.71 H new ATOM 0 HG22 ILE A 21 67.214 66.395 51.472 1.00 0.71 H new ATOM 0 HG23 ILE A 21 68.397 66.777 50.198 1.00 0.71 H new ATOM 0 HD11 ILE A 21 66.812 71.106 48.970 1.00 0.46 H new ATOM 0 HD12 ILE A 21 65.337 70.183 49.344 1.00 0.46 H new ATOM 0 HD13 ILE A 21 66.539 70.493 50.619 1.00 0.46 H new ATOM 308 N GLN A 22 63.861 66.177 50.297 1.00 0.38 N ATOM 309 CA GLN A 22 63.033 65.300 51.170 1.00 0.39 C ATOM 310 C GLN A 22 62.948 63.901 50.547 1.00 0.40 C ATOM 311 O GLN A 22 63.335 62.917 51.143 1.00 0.46 O ATOM 312 CB GLN A 22 61.626 65.885 51.313 1.00 0.43 C ATOM 313 CG GLN A 22 60.800 65.028 52.286 1.00 0.78 C ATOM 314 CD GLN A 22 60.125 65.927 53.324 1.00 1.18 C ATOM 315 OE1 GLN A 22 59.611 66.975 52.992 1.00 1.94 O ATOM 316 NE2 GLN A 22 60.108 65.558 54.576 1.00 1.97 N ATOM 0 H GLN A 22 63.396 67.021 49.963 1.00 0.38 H new ATOM 0 HA GLN A 22 63.492 65.235 52.156 1.00 0.39 H new ATOM 0 HB2 GLN A 22 61.684 66.911 51.677 1.00 0.43 H new ATOM 0 HB3 GLN A 22 61.136 65.920 50.340 1.00 0.43 H new ATOM 0 HG2 GLN A 22 60.047 64.462 51.737 1.00 0.78 H new ATOM 0 HG3 GLN A 22 61.444 64.303 52.783 1.00 0.78 H new ATOM 0 HE21 GLN A 22 60.540 64.677 54.854 1.00 1.97 H new ATOM 0 HE22 GLN A 22 59.662 66.151 55.276 1.00 1.97 H new ATOM 325 N LEU A 23 62.457 63.819 49.338 1.00 0.41 N ATOM 326 CA LEU A 23 62.354 62.499 48.649 1.00 0.49 C ATOM 327 C LEU A 23 63.745 61.853 48.529 1.00 0.50 C ATOM 328 O LEU A 23 63.861 60.660 48.319 1.00 0.60 O ATOM 329 CB LEU A 23 61.773 62.715 47.249 1.00 0.54 C ATOM 330 CG LEU A 23 61.401 61.366 46.629 1.00 0.62 C ATOM 331 CD1 LEU A 23 59.918 61.081 46.874 1.00 0.81 C ATOM 332 CD2 LEU A 23 61.668 61.410 45.122 1.00 0.97 C ATOM 0 H LEU A 23 62.121 64.615 48.795 1.00 0.41 H new ATOM 0 HA LEU A 23 61.707 61.839 49.227 1.00 0.49 H new ATOM 0 HB2 LEU A 23 60.892 63.355 47.305 1.00 0.54 H new ATOM 0 HB3 LEU A 23 62.500 63.227 46.619 1.00 0.54 H new ATOM 0 HG LEU A 23 62.001 60.579 47.085 1.00 0.62 H new ATOM 0 HD11 LEU A 23 59.654 60.120 46.432 1.00 0.81 H new ATOM 0 HD12 LEU A 23 59.725 61.052 47.946 1.00 0.81 H new ATOM 0 HD13 LEU A 23 59.316 61.867 46.418 1.00 0.81 H new ATOM 0 HD21 LEU A 23 61.404 60.450 44.678 1.00 0.97 H new ATOM 0 HD22 LEU A 23 61.066 62.198 44.669 1.00 0.97 H new ATOM 0 HD23 LEU A 23 62.724 61.613 44.945 1.00 0.97 H new ATOM 344 N ILE A 24 64.799 62.631 48.645 1.00 0.48 N ATOM 345 CA ILE A 24 66.173 62.059 48.520 1.00 0.52 C ATOM 346 C ILE A 24 66.780 61.791 49.914 1.00 0.49 C ATOM 347 O ILE A 24 66.711 60.685 50.417 1.00 0.67 O ATOM 348 CB ILE A 24 67.048 63.041 47.723 1.00 0.63 C ATOM 349 CG1 ILE A 24 66.415 63.280 46.343 1.00 0.96 C ATOM 350 CG2 ILE A 24 68.455 62.459 47.545 1.00 0.54 C ATOM 351 CD1 ILE A 24 66.488 64.768 45.992 1.00 0.47 C ATOM 0 H ILE A 24 64.763 63.635 48.821 1.00 0.48 H new ATOM 0 HA ILE A 24 66.126 61.106 47.993 1.00 0.52 H new ATOM 0 HB ILE A 24 67.117 63.984 48.265 1.00 0.63 H new ATOM 0 HG12 ILE A 24 66.936 62.692 45.587 1.00 0.96 H new ATOM 0 HG13 ILE A 24 65.377 62.948 46.346 1.00 0.96 H new ATOM 0 HG21 ILE A 24 69.070 63.159 46.980 1.00 0.54 H new ATOM 0 HG22 ILE A 24 68.905 62.289 48.523 1.00 0.54 H new ATOM 0 HG23 ILE A 24 68.392 61.514 47.005 1.00 0.54 H new ATOM 0 HD11 ILE A 24 66.038 64.933 45.013 1.00 0.47 H new ATOM 0 HD12 ILE A 24 65.948 65.346 46.742 1.00 0.47 H new ATOM 0 HD13 ILE A 24 67.530 65.086 45.971 1.00 0.47 H new ATOM 363 N GLN A 25 67.388 62.780 50.531 1.00 0.63 N ATOM 364 CA GLN A 25 68.015 62.571 51.874 1.00 0.70 C ATOM 365 C GLN A 25 66.955 62.220 52.924 1.00 0.71 C ATOM 366 O GLN A 25 67.253 61.596 53.925 1.00 1.23 O ATOM 367 CB GLN A 25 68.737 63.852 52.294 1.00 0.81 C ATOM 368 CG GLN A 25 69.986 64.041 51.431 1.00 0.90 C ATOM 369 CD GLN A 25 71.184 63.378 52.113 1.00 1.34 C ATOM 370 OE1 GLN A 25 71.203 63.223 53.318 1.00 2.07 O ATOM 371 NE2 GLN A 25 72.193 62.978 51.388 1.00 1.79 N ATOM 0 H GLN A 25 67.476 63.726 50.159 1.00 0.63 H new ATOM 0 HA GLN A 25 68.721 61.743 51.805 1.00 0.70 H new ATOM 0 HB2 GLN A 25 68.073 64.709 52.184 1.00 0.81 H new ATOM 0 HB3 GLN A 25 69.014 63.797 53.347 1.00 0.81 H new ATOM 0 HG2 GLN A 25 69.829 63.605 50.445 1.00 0.90 H new ATOM 0 HG3 GLN A 25 70.181 65.103 51.282 1.00 0.90 H new ATOM 0 HE21 GLN A 25 72.177 63.108 50.376 1.00 1.79 H new ATOM 0 HE22 GLN A 25 72.997 62.535 51.833 1.00 1.79 H new ATOM 380 N ASN A 26 65.722 62.613 52.710 1.00 0.72 N ATOM 381 CA ASN A 26 64.637 62.302 53.700 1.00 0.77 C ATOM 382 C ASN A 26 64.862 63.091 54.995 1.00 0.72 C ATOM 383 O ASN A 26 65.299 62.553 55.995 1.00 0.91 O ATOM 384 CB ASN A 26 64.618 60.797 54.013 1.00 0.97 C ATOM 385 CG ASN A 26 63.181 60.340 54.297 1.00 1.61 C ATOM 386 OD1 ASN A 26 62.250 61.119 54.222 1.00 2.32 O ATOM 387 ND2 ASN A 26 62.961 59.096 54.625 1.00 2.35 N ATOM 0 H ASN A 26 65.417 63.138 51.890 1.00 0.72 H new ATOM 0 HA ASN A 26 63.680 62.589 53.266 1.00 0.77 H new ATOM 0 HB2 ASN A 26 65.027 60.237 53.172 1.00 0.97 H new ATOM 0 HB3 ASN A 26 65.252 60.588 54.875 1.00 0.97 H new ATOM 0 HD21 ASN A 26 62.011 58.780 54.817 1.00 2.35 H new ATOM 0 HD22 ASN A 26 63.740 58.440 54.689 1.00 2.35 H new ATOM 394 N HIS A 27 64.546 64.363 54.982 1.00 0.67 N ATOM 395 CA HIS A 27 64.713 65.200 56.207 1.00 0.73 C ATOM 396 C HIS A 27 64.228 66.625 55.919 1.00 0.72 C ATOM 397 O HIS A 27 64.384 67.135 54.825 1.00 1.25 O ATOM 398 CB HIS A 27 66.188 65.221 56.639 1.00 0.82 C ATOM 399 CG HIS A 27 67.056 65.758 55.531 1.00 0.77 C ATOM 400 ND1 HIS A 27 68.386 66.091 55.738 1.00 0.97 N ATOM 401 CD2 HIS A 27 66.804 66.032 54.210 1.00 0.81 C ATOM 402 CE1 HIS A 27 68.877 66.545 54.572 1.00 1.01 C ATOM 403 NE2 HIS A 27 67.955 66.530 53.607 1.00 0.94 N ATOM 0 H HIS A 27 64.178 64.858 54.170 1.00 0.67 H new ATOM 0 HA HIS A 27 64.121 64.774 57.017 1.00 0.73 H new ATOM 0 HB2 HIS A 27 66.303 65.838 57.530 1.00 0.82 H new ATOM 0 HB3 HIS A 27 66.509 64.214 56.905 1.00 0.82 H new ATOM 0 HD1 HIS A 27 68.899 66.007 56.616 1.00 0.97 H new ATOM 0 HD2 HIS A 27 65.856 65.884 53.714 1.00 0.81 H new ATOM 0 HE1 HIS A 27 69.894 66.881 54.433 1.00 1.01 H new ATOM 411 N PHE A 28 63.633 67.268 56.891 1.00 0.70 N ATOM 412 CA PHE A 28 63.131 68.657 56.676 1.00 0.63 C ATOM 413 C PHE A 28 64.299 69.641 56.772 1.00 0.63 C ATOM 414 O PHE A 28 64.940 69.754 57.800 1.00 0.78 O ATOM 415 CB PHE A 28 62.088 68.996 57.742 1.00 0.72 C ATOM 416 CG PHE A 28 61.418 70.304 57.392 1.00 0.71 C ATOM 417 CD1 PHE A 28 60.790 70.458 56.150 1.00 0.95 C ATOM 418 CD2 PHE A 28 61.427 71.362 58.308 1.00 1.00 C ATOM 419 CE1 PHE A 28 60.170 71.670 55.825 1.00 0.98 C ATOM 420 CE2 PHE A 28 60.807 72.575 57.983 1.00 1.04 C ATOM 421 CZ PHE A 28 60.178 72.729 56.741 1.00 0.81 C ATOM 0 H PHE A 28 63.473 66.890 57.825 1.00 0.70 H new ATOM 0 HA PHE A 28 62.675 68.729 55.689 1.00 0.63 H new ATOM 0 HB2 PHE A 28 61.346 68.200 57.806 1.00 0.72 H new ATOM 0 HB3 PHE A 28 62.563 69.068 58.721 1.00 0.72 H new ATOM 0 HD1 PHE A 28 60.784 69.642 55.443 1.00 0.95 H new ATOM 0 HD2 PHE A 28 61.912 71.243 59.266 1.00 1.00 H new ATOM 0 HE1 PHE A 28 59.685 71.788 54.867 1.00 0.98 H new ATOM 0 HE2 PHE A 28 60.814 73.392 58.690 1.00 1.04 H new ATOM 0 HZ PHE A 28 59.699 73.664 56.490 1.00 0.81 H new ATOM 431 N VAL A 29 64.579 70.350 55.708 1.00 0.60 N ATOM 432 CA VAL A 29 65.708 71.329 55.730 1.00 0.62 C ATOM 433 C VAL A 29 65.152 72.755 55.787 1.00 0.66 C ATOM 434 O VAL A 29 64.300 73.130 55.003 1.00 0.75 O ATOM 435 CB VAL A 29 66.570 71.168 54.472 1.00 0.61 C ATOM 436 CG1 VAL A 29 67.378 69.872 54.569 1.00 1.01 C ATOM 437 CG2 VAL A 29 65.677 71.123 53.226 1.00 0.87 C ATOM 0 H VAL A 29 64.074 70.293 54.824 1.00 0.60 H new ATOM 0 HA VAL A 29 66.322 71.140 56.611 1.00 0.62 H new ATOM 0 HB VAL A 29 67.249 72.017 54.393 1.00 0.61 H new ATOM 0 HG11 VAL A 29 67.991 69.757 53.675 1.00 1.01 H new ATOM 0 HG12 VAL A 29 68.022 69.910 55.448 1.00 1.01 H new ATOM 0 HG13 VAL A 29 66.698 69.025 54.654 1.00 1.01 H new ATOM 0 HG21 VAL A 29 66.298 71.009 52.337 1.00 0.87 H new ATOM 0 HG22 VAL A 29 64.991 70.279 53.300 1.00 0.87 H new ATOM 0 HG23 VAL A 29 65.107 72.049 53.153 1.00 0.87 H new ATOM 447 N ASP A 30 65.634 73.551 56.708 1.00 0.81 N ATOM 448 CA ASP A 30 65.144 74.958 56.823 1.00 0.91 C ATOM 449 C ASP A 30 66.047 75.907 56.022 1.00 1.09 C ATOM 450 O ASP A 30 65.722 77.064 55.833 1.00 1.51 O ATOM 451 CB ASP A 30 65.146 75.378 58.294 1.00 1.18 C ATOM 452 CG ASP A 30 63.872 74.872 58.974 1.00 1.54 C ATOM 453 OD1 ASP A 30 62.800 75.274 58.553 1.00 2.18 O ATOM 454 OD2 ASP A 30 63.991 74.091 59.904 1.00 2.12 O ATOM 0 H ASP A 30 66.348 73.286 57.387 1.00 0.81 H new ATOM 0 HA ASP A 30 64.132 75.012 56.422 1.00 0.91 H new ATOM 0 HB2 ASP A 30 66.024 74.973 58.797 1.00 1.18 H new ATOM 0 HB3 ASP A 30 65.206 76.464 58.373 1.00 1.18 H new ATOM 459 N GLU A 31 67.174 75.432 55.552 1.00 1.01 N ATOM 460 CA GLU A 31 68.097 76.306 54.766 1.00 1.33 C ATOM 461 C GLU A 31 69.019 75.428 53.918 1.00 1.16 C ATOM 462 O GLU A 31 70.079 75.021 54.354 1.00 1.37 O ATOM 463 CB GLU A 31 68.937 77.177 55.714 1.00 1.74 C ATOM 464 CG GLU A 31 69.450 76.342 56.894 1.00 2.12 C ATOM 465 CD GLU A 31 70.578 77.096 57.601 1.00 2.78 C ATOM 466 OE1 GLU A 31 71.380 77.704 56.912 1.00 3.09 O ATOM 467 OE2 GLU A 31 70.620 77.052 58.820 1.00 3.27 O ATOM 0 H GLU A 31 67.495 74.472 55.680 1.00 1.01 H new ATOM 0 HA GLU A 31 67.511 76.958 54.118 1.00 1.33 H new ATOM 0 HB2 GLU A 31 69.779 77.608 55.172 1.00 1.74 H new ATOM 0 HB3 GLU A 31 68.336 78.008 56.083 1.00 1.74 H new ATOM 0 HG2 GLU A 31 68.637 76.143 57.593 1.00 2.12 H new ATOM 0 HG3 GLU A 31 69.810 75.376 56.540 1.00 2.12 H new ATOM 474 N TYR A 32 68.618 75.131 52.707 1.00 1.08 N ATOM 475 CA TYR A 32 69.461 74.274 51.823 1.00 1.18 C ATOM 476 C TYR A 32 70.297 75.152 50.893 1.00 1.40 C ATOM 477 O TYR A 32 70.473 74.852 49.728 1.00 2.07 O ATOM 478 CB TYR A 32 68.556 73.357 50.997 1.00 1.46 C ATOM 479 CG TYR A 32 69.397 72.368 50.229 1.00 1.06 C ATOM 480 CD1 TYR A 32 70.296 71.536 50.906 1.00 1.56 C ATOM 481 CD2 TYR A 32 69.275 72.282 48.837 1.00 1.43 C ATOM 482 CE1 TYR A 32 71.073 70.617 50.191 1.00 2.09 C ATOM 483 CE2 TYR A 32 70.052 71.364 48.122 1.00 1.39 C ATOM 484 CZ TYR A 32 70.951 70.531 48.799 1.00 1.71 C ATOM 485 OH TYR A 32 71.716 69.625 48.094 1.00 2.36 O ATOM 0 H TYR A 32 67.741 75.447 52.293 1.00 1.08 H new ATOM 0 HA TYR A 32 70.131 73.669 52.434 1.00 1.18 H new ATOM 0 HB2 TYR A 32 67.863 72.828 51.652 1.00 1.46 H new ATOM 0 HB3 TYR A 32 67.954 73.949 50.308 1.00 1.46 H new ATOM 0 HD1 TYR A 32 70.390 71.603 51.980 1.00 1.56 H new ATOM 0 HD2 TYR A 32 68.581 72.924 48.315 1.00 1.43 H new ATOM 0 HE1 TYR A 32 71.766 69.974 50.713 1.00 2.09 H new ATOM 0 HE2 TYR A 32 69.958 71.298 47.048 1.00 1.39 H new ATOM 0 HH TYR A 32 71.379 69.557 47.176 1.00 2.36 H new ATOM 495 N ASP A 33 70.825 76.231 51.412 1.00 1.38 N ATOM 496 CA ASP A 33 71.673 77.152 50.588 1.00 1.59 C ATOM 497 C ASP A 33 70.973 77.499 49.254 1.00 1.30 C ATOM 498 O ASP A 33 71.157 76.797 48.279 1.00 1.25 O ATOM 499 CB ASP A 33 73.010 76.473 50.290 1.00 1.98 C ATOM 500 CG ASP A 33 73.997 76.758 51.423 1.00 2.77 C ATOM 501 OD1 ASP A 33 73.586 76.697 52.570 1.00 3.12 O ATOM 502 OD2 ASP A 33 75.148 77.032 51.125 1.00 3.35 O ATOM 0 H ASP A 33 70.704 76.518 52.383 1.00 1.38 H new ATOM 0 HA ASP A 33 71.832 78.073 51.149 1.00 1.59 H new ATOM 0 HB2 ASP A 33 72.867 75.398 50.182 1.00 1.98 H new ATOM 0 HB3 ASP A 33 73.411 76.838 49.345 1.00 1.98 H new ATOM 507 N PRO A 34 70.193 78.568 49.233 1.00 1.46 N ATOM 508 CA PRO A 34 69.489 78.981 48.004 1.00 1.54 C ATOM 509 C PRO A 34 70.491 79.331 46.891 1.00 1.48 C ATOM 510 O PRO A 34 70.129 79.415 45.733 1.00 1.98 O ATOM 511 CB PRO A 34 68.679 80.223 48.408 1.00 2.01 C ATOM 512 CG PRO A 34 68.985 80.525 49.896 1.00 2.21 C ATOM 513 CD PRO A 34 69.946 79.441 50.405 1.00 1.89 C ATOM 0 HA PRO A 34 68.856 78.185 47.612 1.00 1.54 H new ATOM 0 HB2 PRO A 34 68.948 81.074 47.782 1.00 2.01 H new ATOM 0 HB3 PRO A 34 67.613 80.047 48.266 1.00 2.01 H new ATOM 0 HG2 PRO A 34 69.433 81.513 50.001 1.00 2.21 H new ATOM 0 HG3 PRO A 34 68.066 80.527 50.482 1.00 2.21 H new ATOM 0 HD2 PRO A 34 70.874 79.878 50.775 1.00 1.89 H new ATOM 0 HD3 PRO A 34 69.507 78.880 51.230 1.00 1.89 H new ATOM 521 N THR A 35 71.741 79.547 47.232 1.00 1.29 N ATOM 522 CA THR A 35 72.754 79.903 46.195 1.00 1.32 C ATOM 523 C THR A 35 73.426 78.633 45.656 1.00 1.22 C ATOM 524 O THR A 35 74.638 78.557 45.556 1.00 1.49 O ATOM 525 CB THR A 35 73.809 80.824 46.816 1.00 1.52 C ATOM 526 OG1 THR A 35 74.441 80.154 47.897 1.00 1.59 O ATOM 527 CG2 THR A 35 73.136 82.099 47.325 1.00 1.70 C ATOM 0 H THR A 35 72.100 79.491 48.185 1.00 1.29 H new ATOM 0 HA THR A 35 72.260 80.416 45.369 1.00 1.32 H new ATOM 0 HB THR A 35 74.555 81.085 46.065 1.00 1.52 H new ATOM 0 HG1 THR A 35 75.118 80.741 48.295 1.00 1.59 H new ATOM 0 HG21 THR A 35 73.886 82.755 47.767 1.00 1.70 H new ATOM 0 HG22 THR A 35 72.651 82.611 46.494 1.00 1.70 H new ATOM 0 HG23 THR A 35 72.391 81.841 48.077 1.00 1.70 H new ATOM 535 N ILE A 36 72.649 77.642 45.296 1.00 1.14 N ATOM 536 CA ILE A 36 73.240 76.383 44.750 1.00 1.11 C ATOM 537 C ILE A 36 72.336 75.835 43.640 1.00 0.96 C ATOM 538 O ILE A 36 71.149 75.647 43.828 1.00 1.11 O ATOM 539 CB ILE A 36 73.380 75.342 45.871 1.00 1.28 C ATOM 540 CG1 ILE A 36 74.267 75.912 46.985 1.00 1.57 C ATOM 541 CG2 ILE A 36 74.024 74.066 45.310 1.00 1.40 C ATOM 542 CD1 ILE A 36 74.375 74.903 48.133 1.00 1.64 C ATOM 0 H ILE A 36 71.631 77.651 45.357 1.00 1.14 H new ATOM 0 HA ILE A 36 74.227 76.596 44.340 1.00 1.11 H new ATOM 0 HB ILE A 36 72.395 75.105 46.272 1.00 1.28 H new ATOM 0 HG12 ILE A 36 75.259 76.137 46.593 1.00 1.57 H new ATOM 0 HG13 ILE A 36 73.849 76.849 47.351 1.00 1.57 H new ATOM 0 HG21 ILE A 36 74.123 73.328 46.106 1.00 1.40 H new ATOM 0 HG22 ILE A 36 73.397 73.661 44.516 1.00 1.40 H new ATOM 0 HG23 ILE A 36 75.010 74.302 44.909 1.00 1.40 H new ATOM 0 HD11 ILE A 36 75.006 75.314 48.921 1.00 1.64 H new ATOM 0 HD12 ILE A 36 73.382 74.700 48.533 1.00 1.64 H new ATOM 0 HD13 ILE A 36 74.814 73.976 47.763 1.00 1.64 H new ATOM 554 N GLU A 37 72.898 75.574 42.487 1.00 0.91 N ATOM 555 CA GLU A 37 72.091 75.034 41.354 1.00 0.86 C ATOM 556 C GLU A 37 72.682 73.695 40.905 1.00 0.80 C ATOM 557 O GLU A 37 73.783 73.637 40.390 1.00 1.04 O ATOM 558 CB GLU A 37 72.125 76.023 40.187 1.00 1.08 C ATOM 559 CG GLU A 37 70.986 77.032 40.335 1.00 1.46 C ATOM 560 CD GLU A 37 70.805 77.793 39.021 1.00 2.16 C ATOM 561 OE1 GLU A 37 71.704 78.534 38.659 1.00 2.73 O ATOM 562 OE2 GLU A 37 69.770 77.622 38.397 1.00 2.71 O ATOM 0 H GLU A 37 73.887 75.713 42.282 1.00 0.91 H new ATOM 0 HA GLU A 37 71.060 74.889 41.676 1.00 0.86 H new ATOM 0 HB2 GLU A 37 73.083 76.542 40.165 1.00 1.08 H new ATOM 0 HB3 GLU A 37 72.030 75.489 39.242 1.00 1.08 H new ATOM 0 HG2 GLU A 37 70.062 76.518 40.600 1.00 1.46 H new ATOM 0 HG3 GLU A 37 71.206 77.729 41.144 1.00 1.46 H new ATOM 569 N ASP A 38 71.958 72.621 41.096 1.00 0.85 N ATOM 570 CA ASP A 38 72.472 71.281 40.683 1.00 1.08 C ATOM 571 C ASP A 38 71.291 70.358 40.367 1.00 1.00 C ATOM 572 O ASP A 38 70.170 70.613 40.765 1.00 1.68 O ATOM 573 CB ASP A 38 73.305 70.683 41.824 1.00 1.49 C ATOM 574 CG ASP A 38 74.572 70.037 41.257 1.00 1.90 C ATOM 575 OD1 ASP A 38 74.445 69.210 40.369 1.00 2.32 O ATOM 576 OD2 ASP A 38 75.647 70.379 41.720 1.00 2.43 O ATOM 0 H ASP A 38 71.031 72.615 41.521 1.00 0.85 H new ATOM 0 HA ASP A 38 73.096 71.385 39.795 1.00 1.08 H new ATOM 0 HB2 ASP A 38 73.571 71.461 42.539 1.00 1.49 H new ATOM 0 HB3 ASP A 38 72.718 69.941 42.365 1.00 1.49 H new ATOM 581 N SER A 39 71.539 69.288 39.653 1.00 0.68 N ATOM 582 CA SER A 39 70.439 68.342 39.304 1.00 0.63 C ATOM 583 C SER A 39 70.380 67.216 40.338 1.00 0.61 C ATOM 584 O SER A 39 71.353 66.522 40.569 1.00 1.03 O ATOM 585 CB SER A 39 70.699 67.747 37.920 1.00 0.90 C ATOM 586 OG SER A 39 71.879 66.955 37.964 1.00 1.17 O ATOM 0 H SER A 39 72.459 69.030 39.297 1.00 0.68 H new ATOM 0 HA SER A 39 69.490 68.879 39.299 1.00 0.63 H new ATOM 0 HB2 SER A 39 69.850 67.139 37.608 1.00 0.90 H new ATOM 0 HB3 SER A 39 70.809 68.543 37.184 1.00 0.90 H new ATOM 0 HG SER A 39 72.100 66.749 38.896 1.00 1.17 H new ATOM 592 N TYR A 40 69.242 67.028 40.956 1.00 0.46 N ATOM 593 CA TYR A 40 69.103 65.946 41.975 1.00 0.45 C ATOM 594 C TYR A 40 68.310 64.788 41.368 1.00 0.46 C ATOM 595 O TYR A 40 67.185 64.958 40.938 1.00 0.72 O ATOM 596 CB TYR A 40 68.363 66.488 43.200 1.00 0.54 C ATOM 597 CG TYR A 40 69.049 67.741 43.692 1.00 0.61 C ATOM 598 CD1 TYR A 40 70.361 67.678 44.178 1.00 1.30 C ATOM 599 CD2 TYR A 40 68.374 68.967 43.657 1.00 1.32 C ATOM 600 CE1 TYR A 40 70.996 68.841 44.630 1.00 1.39 C ATOM 601 CE2 TYR A 40 69.009 70.129 44.108 1.00 1.42 C ATOM 602 CZ TYR A 40 70.320 70.067 44.595 1.00 0.94 C ATOM 603 OH TYR A 40 70.946 71.214 45.039 1.00 1.14 O ATOM 0 H TYR A 40 68.399 67.581 40.797 1.00 0.46 H new ATOM 0 HA TYR A 40 70.090 65.597 42.278 1.00 0.45 H new ATOM 0 HB2 TYR A 40 67.326 66.705 42.944 1.00 0.54 H new ATOM 0 HB3 TYR A 40 68.346 65.737 43.989 1.00 0.54 H new ATOM 0 HD1 TYR A 40 70.883 66.733 44.204 1.00 1.30 H new ATOM 0 HD2 TYR A 40 67.363 69.016 43.282 1.00 1.32 H new ATOM 0 HE1 TYR A 40 72.007 68.793 45.006 1.00 1.39 H new ATOM 0 HE2 TYR A 40 68.488 71.074 44.080 1.00 1.42 H new ATOM 0 HH TYR A 40 70.337 71.976 44.945 1.00 1.14 H new ATOM 613 N ARG A 41 68.892 63.617 41.321 1.00 0.53 N ATOM 614 CA ARG A 41 68.179 62.446 40.732 1.00 0.56 C ATOM 615 C ARG A 41 67.600 61.574 41.845 1.00 0.51 C ATOM 616 O ARG A 41 67.875 61.775 43.013 1.00 0.61 O ATOM 617 CB ARG A 41 69.159 61.623 39.894 1.00 0.75 C ATOM 618 CG ARG A 41 69.727 62.494 38.773 1.00 0.78 C ATOM 619 CD ARG A 41 70.964 61.821 38.178 1.00 1.18 C ATOM 620 NE ARG A 41 71.885 62.864 37.631 1.00 1.39 N ATOM 621 CZ ARG A 41 72.874 62.550 36.817 1.00 1.74 C ATOM 622 NH1 ARG A 41 73.094 61.308 36.449 1.00 2.11 N ATOM 623 NH2 ARG A 41 73.653 63.495 36.366 1.00 2.48 N ATOM 0 H ARG A 41 69.832 63.422 41.666 1.00 0.53 H new ATOM 0 HA ARG A 41 67.366 62.802 40.099 1.00 0.56 H new ATOM 0 HB2 ARG A 41 69.967 61.249 40.523 1.00 0.75 H new ATOM 0 HB3 ARG A 41 68.654 60.754 39.473 1.00 0.75 H new ATOM 0 HG2 ARG A 41 68.975 62.645 37.999 1.00 0.78 H new ATOM 0 HG3 ARG A 41 69.987 63.479 39.160 1.00 0.78 H new ATOM 0 HD2 ARG A 41 71.475 61.234 38.942 1.00 1.18 H new ATOM 0 HD3 ARG A 41 70.670 61.130 37.388 1.00 1.18 H new ATOM 0 HE ARG A 41 71.745 63.840 37.893 1.00 1.39 H new ATOM 0 HH11 ARG A 41 72.493 60.560 36.794 1.00 2.11 H new ATOM 0 HH12 ARG A 41 73.866 61.092 35.818 1.00 2.11 H new ATOM 0 HH21 ARG A 41 73.493 64.463 36.644 1.00 2.48 H new ATOM 0 HH22 ARG A 41 74.421 63.265 35.736 1.00 2.48 H new ATOM 637 N LYS A 42 66.795 60.607 41.484 1.00 0.49 N ATOM 638 CA LYS A 42 66.184 59.711 42.507 1.00 0.53 C ATOM 639 C LYS A 42 65.615 58.467 41.822 1.00 0.50 C ATOM 640 O LYS A 42 64.789 58.562 40.934 1.00 0.66 O ATOM 641 CB LYS A 42 65.057 60.455 43.223 1.00 0.72 C ATOM 642 CG LYS A 42 64.722 59.736 44.530 1.00 0.62 C ATOM 643 CD LYS A 42 65.804 60.036 45.566 1.00 1.35 C ATOM 644 CE LYS A 42 65.871 58.893 46.580 1.00 1.84 C ATOM 645 NZ LYS A 42 67.252 58.798 47.132 1.00 2.58 N ATOM 0 H LYS A 42 66.535 60.400 40.520 1.00 0.49 H new ATOM 0 HA LYS A 42 66.944 59.413 43.230 1.00 0.53 H new ATOM 0 HB2 LYS A 42 65.358 61.483 43.427 1.00 0.72 H new ATOM 0 HB3 LYS A 42 64.175 60.502 42.585 1.00 0.72 H new ATOM 0 HG2 LYS A 42 63.750 60.063 44.899 1.00 0.62 H new ATOM 0 HG3 LYS A 42 64.654 58.662 44.360 1.00 0.62 H new ATOM 0 HD2 LYS A 42 66.769 60.157 45.074 1.00 1.35 H new ATOM 0 HD3 LYS A 42 65.585 60.975 46.074 1.00 1.35 H new ATOM 0 HE2 LYS A 42 65.157 59.065 47.386 1.00 1.84 H new ATOM 0 HE3 LYS A 42 65.593 57.953 46.103 1.00 1.84 H new ATOM 0 HZ1 LYS A 42 67.602 57.825 47.025 1.00 2.58 H new ATOM 0 HZ2 LYS A 42 67.877 59.450 46.617 1.00 2.58 H new ATOM 0 HZ3 LYS A 42 67.241 59.053 48.140 1.00 2.58 H new ATOM 659 N GLN A 43 66.048 57.302 42.233 1.00 0.53 N ATOM 660 CA GLN A 43 65.533 56.046 41.614 1.00 0.55 C ATOM 661 C GLN A 43 64.439 55.455 42.503 1.00 0.62 C ATOM 662 O GLN A 43 64.705 54.967 43.586 1.00 0.96 O ATOM 663 CB GLN A 43 66.675 55.038 41.474 1.00 0.62 C ATOM 664 CG GLN A 43 66.210 53.854 40.623 1.00 1.31 C ATOM 665 CD GLN A 43 67.394 52.926 40.350 1.00 1.62 C ATOM 666 OE1 GLN A 43 68.066 53.059 39.346 1.00 2.19 O ATOM 667 NE2 GLN A 43 67.681 51.984 41.206 1.00 1.99 N ATOM 0 H GLN A 43 66.738 57.168 42.972 1.00 0.53 H new ATOM 0 HA GLN A 43 65.123 56.268 40.629 1.00 0.55 H new ATOM 0 HB2 GLN A 43 67.540 55.514 41.012 1.00 0.62 H new ATOM 0 HB3 GLN A 43 66.990 54.691 42.458 1.00 0.62 H new ATOM 0 HG2 GLN A 43 65.419 53.310 41.139 1.00 1.31 H new ATOM 0 HG3 GLN A 43 65.790 54.211 39.683 1.00 1.31 H new ATOM 0 HE21 GLN A 43 67.118 51.872 42.049 1.00 1.99 H new ATOM 0 HE22 GLN A 43 68.469 51.360 41.032 1.00 1.99 H new ATOM 676 N VAL A 44 63.212 55.498 42.053 1.00 0.55 N ATOM 677 CA VAL A 44 62.090 54.943 42.865 1.00 0.62 C ATOM 678 C VAL A 44 61.164 54.121 41.966 1.00 0.58 C ATOM 679 O VAL A 44 61.401 53.982 40.781 1.00 0.64 O ATOM 680 CB VAL A 44 61.302 56.091 43.498 1.00 0.76 C ATOM 681 CG1 VAL A 44 62.187 56.819 44.512 1.00 0.93 C ATOM 682 CG2 VAL A 44 60.864 57.072 42.408 1.00 0.80 C ATOM 0 H VAL A 44 62.938 55.895 41.154 1.00 0.55 H new ATOM 0 HA VAL A 44 62.493 54.303 43.650 1.00 0.62 H new ATOM 0 HB VAL A 44 60.422 55.692 44.003 1.00 0.76 H new ATOM 0 HG11 VAL A 44 61.626 57.637 44.963 1.00 0.93 H new ATOM 0 HG12 VAL A 44 62.500 56.121 45.289 1.00 0.93 H new ATOM 0 HG13 VAL A 44 63.067 57.218 44.007 1.00 0.93 H new ATOM 0 HG21 VAL A 44 60.302 57.890 42.859 1.00 0.80 H new ATOM 0 HG22 VAL A 44 61.744 57.471 41.903 1.00 0.80 H new ATOM 0 HG23 VAL A 44 60.234 56.555 41.685 1.00 0.80 H new ATOM 692 N VAL A 45 60.114 53.574 42.524 1.00 0.64 N ATOM 693 CA VAL A 45 59.168 52.755 41.711 1.00 0.64 C ATOM 694 C VAL A 45 57.774 53.386 41.756 1.00 0.68 C ATOM 695 O VAL A 45 57.218 53.607 42.815 1.00 1.17 O ATOM 696 CB VAL A 45 59.104 51.337 42.283 1.00 0.75 C ATOM 697 CG1 VAL A 45 58.252 50.453 41.370 1.00 0.83 C ATOM 698 CG2 VAL A 45 60.518 50.760 42.373 1.00 0.84 C ATOM 0 H VAL A 45 59.871 53.660 43.511 1.00 0.64 H new ATOM 0 HA VAL A 45 59.515 52.717 40.678 1.00 0.64 H new ATOM 0 HB VAL A 45 58.658 51.368 43.277 1.00 0.75 H new ATOM 0 HG11 VAL A 45 58.208 49.444 41.779 1.00 0.83 H new ATOM 0 HG12 VAL A 45 57.244 50.863 41.304 1.00 0.83 H new ATOM 0 HG13 VAL A 45 58.697 50.422 40.375 1.00 0.83 H new ATOM 0 HG21 VAL A 45 60.474 49.750 42.780 1.00 0.84 H new ATOM 0 HG22 VAL A 45 60.963 50.731 41.378 1.00 0.84 H new ATOM 0 HG23 VAL A 45 61.126 51.387 43.024 1.00 0.84 H new ATOM 708 N ILE A 46 57.207 53.674 40.611 1.00 0.64 N ATOM 709 CA ILE A 46 55.847 54.288 40.575 1.00 0.64 C ATOM 710 C ILE A 46 54.800 53.219 40.895 1.00 0.91 C ATOM 711 O ILE A 46 54.133 53.276 41.911 1.00 1.71 O ATOM 712 CB ILE A 46 55.581 54.861 39.179 1.00 0.72 C ATOM 713 CG1 ILE A 46 56.717 55.820 38.785 1.00 0.96 C ATOM 714 CG2 ILE A 46 54.244 55.609 39.175 1.00 0.77 C ATOM 715 CD1 ILE A 46 56.803 56.986 39.779 1.00 0.71 C ATOM 0 H ILE A 46 57.630 53.509 39.698 1.00 0.64 H new ATOM 0 HA ILE A 46 55.789 55.089 41.312 1.00 0.64 H new ATOM 0 HB ILE A 46 55.537 54.045 38.458 1.00 0.72 H new ATOM 0 HG12 ILE A 46 57.665 55.282 38.763 1.00 0.96 H new ATOM 0 HG13 ILE A 46 56.545 56.203 37.779 1.00 0.96 H new ATOM 0 HG21 ILE A 46 54.057 56.015 38.181 1.00 0.77 H new ATOM 0 HG22 ILE A 46 53.442 54.921 39.442 1.00 0.77 H new ATOM 0 HG23 ILE A 46 54.280 56.423 39.899 1.00 0.77 H new ATOM 0 HD11 ILE A 46 57.612 57.655 39.486 1.00 0.71 H new ATOM 0 HD12 ILE A 46 55.861 57.534 39.779 1.00 0.71 H new ATOM 0 HD13 ILE A 46 56.998 56.598 40.779 1.00 0.71 H new ATOM 727 N ASP A 47 54.655 52.245 40.032 1.00 1.20 N ATOM 728 CA ASP A 47 53.654 51.165 40.274 1.00 1.50 C ATOM 729 C ASP A 47 54.153 49.860 39.642 1.00 1.37 C ATOM 730 O ASP A 47 53.580 49.356 38.692 1.00 1.72 O ATOM 731 CB ASP A 47 52.313 51.564 39.652 1.00 1.92 C ATOM 732 CG ASP A 47 51.619 52.591 40.550 1.00 2.32 C ATOM 733 OD1 ASP A 47 51.410 52.287 41.712 1.00 2.61 O ATOM 734 OD2 ASP A 47 51.310 53.664 40.059 1.00 2.76 O ATOM 0 H ASP A 47 55.189 52.152 39.168 1.00 1.20 H new ATOM 0 HA ASP A 47 53.522 51.019 41.346 1.00 1.50 H new ATOM 0 HB2 ASP A 47 52.471 51.982 38.658 1.00 1.92 H new ATOM 0 HB3 ASP A 47 51.680 50.685 39.531 1.00 1.92 H new ATOM 739 N GLY A 48 55.219 49.311 40.167 1.00 1.22 N ATOM 740 CA GLY A 48 55.767 48.040 39.608 1.00 1.37 C ATOM 741 C GLY A 48 56.664 48.350 38.408 1.00 1.14 C ATOM 742 O GLY A 48 56.792 47.554 37.498 1.00 1.58 O ATOM 0 H GLY A 48 55.734 49.690 40.961 1.00 1.22 H new ATOM 0 HA2 GLY A 48 56.336 47.510 40.372 1.00 1.37 H new ATOM 0 HA3 GLY A 48 54.952 47.383 39.305 1.00 1.37 H new ATOM 746 N GLU A 49 57.286 49.503 38.402 1.00 1.05 N ATOM 747 CA GLU A 49 58.178 49.873 37.265 1.00 1.02 C ATOM 748 C GLU A 49 59.152 50.966 37.713 1.00 0.96 C ATOM 749 O GLU A 49 58.816 52.135 37.735 1.00 1.70 O ATOM 750 CB GLU A 49 57.331 50.390 36.100 1.00 1.37 C ATOM 751 CG GLU A 49 58.082 50.171 34.785 1.00 1.77 C ATOM 752 CD GLU A 49 57.080 49.881 33.666 1.00 2.38 C ATOM 753 OE1 GLU A 49 56.017 50.481 33.680 1.00 2.85 O ATOM 754 OE2 GLU A 49 57.391 49.065 32.814 1.00 2.97 O ATOM 0 H GLU A 49 57.213 50.205 39.139 1.00 1.05 H new ATOM 0 HA GLU A 49 58.740 48.996 36.945 1.00 1.02 H new ATOM 0 HB2 GLU A 49 56.373 49.871 36.075 1.00 1.37 H new ATOM 0 HB3 GLU A 49 57.115 51.450 36.236 1.00 1.37 H new ATOM 0 HG2 GLU A 49 58.672 51.054 34.539 1.00 1.77 H new ATOM 0 HG3 GLU A 49 58.780 49.340 34.887 1.00 1.77 H new ATOM 761 N THR A 50 60.354 50.591 38.069 1.00 0.79 N ATOM 762 CA THR A 50 61.359 51.600 38.518 1.00 0.62 C ATOM 763 C THR A 50 61.676 52.550 37.361 1.00 0.57 C ATOM 764 O THR A 50 61.846 52.129 36.232 1.00 0.86 O ATOM 765 CB THR A 50 62.639 50.884 38.957 1.00 0.73 C ATOM 766 OG1 THR A 50 62.320 49.908 39.939 1.00 0.87 O ATOM 767 CG2 THR A 50 63.621 51.899 39.545 1.00 0.76 C ATOM 0 H THR A 50 60.683 49.626 38.068 1.00 0.79 H new ATOM 0 HA THR A 50 60.956 52.169 39.356 1.00 0.62 H new ATOM 0 HB THR A 50 63.097 50.399 38.095 1.00 0.73 H new ATOM 0 HG1 THR A 50 63.138 49.447 40.220 1.00 0.87 H new ATOM 0 HG21 THR A 50 64.531 51.386 39.857 1.00 0.76 H new ATOM 0 HG22 THR A 50 63.866 52.647 38.791 1.00 0.76 H new ATOM 0 HG23 THR A 50 63.167 52.388 40.407 1.00 0.76 H new ATOM 775 N CYS A 51 61.756 53.828 37.635 1.00 0.46 N ATOM 776 CA CYS A 51 62.060 54.813 36.555 1.00 0.41 C ATOM 777 C CYS A 51 62.948 55.929 37.113 1.00 0.38 C ATOM 778 O CYS A 51 62.594 56.595 38.068 1.00 0.41 O ATOM 779 CB CYS A 51 60.754 55.415 36.022 1.00 0.46 C ATOM 780 SG CYS A 51 59.790 56.105 37.392 1.00 0.53 S ATOM 0 H CYS A 51 61.623 54.231 38.562 1.00 0.46 H new ATOM 0 HA CYS A 51 62.582 54.307 35.743 1.00 0.41 H new ATOM 0 HB2 CYS A 51 60.974 56.194 35.292 1.00 0.46 H new ATOM 0 HB3 CYS A 51 60.174 54.649 35.507 1.00 0.46 H new ATOM 0 HG CYS A 51 60.590 56.688 38.235 1.00 0.53 H new ATOM 786 N LEU A 52 64.096 56.138 36.520 1.00 0.38 N ATOM 787 CA LEU A 52 65.010 57.213 37.006 1.00 0.40 C ATOM 788 C LEU A 52 64.340 58.571 36.794 1.00 0.38 C ATOM 789 O LEU A 52 63.911 58.894 35.702 1.00 0.52 O ATOM 790 CB LEU A 52 66.325 57.159 36.224 1.00 0.48 C ATOM 791 CG LEU A 52 67.485 57.539 37.146 1.00 0.71 C ATOM 792 CD1 LEU A 52 68.727 56.728 36.768 1.00 1.08 C ATOM 793 CD2 LEU A 52 67.788 59.031 36.996 1.00 1.13 C ATOM 0 H LEU A 52 64.439 55.609 35.719 1.00 0.38 H new ATOM 0 HA LEU A 52 65.218 57.069 38.066 1.00 0.40 H new ATOM 0 HB2 LEU A 52 66.480 56.158 35.821 1.00 0.48 H new ATOM 0 HB3 LEU A 52 66.283 57.841 35.375 1.00 0.48 H new ATOM 0 HG LEU A 52 67.211 57.324 38.179 1.00 0.71 H new ATOM 0 HD11 LEU A 52 69.553 57.000 37.426 1.00 1.08 H new ATOM 0 HD12 LEU A 52 68.513 55.664 36.874 1.00 1.08 H new ATOM 0 HD13 LEU A 52 69.001 56.942 35.735 1.00 1.08 H new ATOM 0 HD21 LEU A 52 68.615 59.302 37.653 1.00 1.13 H new ATOM 0 HD22 LEU A 52 68.061 59.245 35.963 1.00 1.13 H new ATOM 0 HD23 LEU A 52 66.905 59.610 37.266 1.00 1.13 H new ATOM 805 N LEU A 53 64.240 59.363 37.831 1.00 0.40 N ATOM 806 CA LEU A 53 63.589 60.699 37.695 1.00 0.43 C ATOM 807 C LEU A 53 64.613 61.805 37.960 1.00 0.43 C ATOM 808 O LEU A 53 64.946 62.094 39.093 1.00 0.61 O ATOM 809 CB LEU A 53 62.447 60.812 38.707 1.00 0.54 C ATOM 810 CG LEU A 53 61.411 59.719 38.434 1.00 0.54 C ATOM 811 CD1 LEU A 53 60.800 59.251 39.756 1.00 0.92 C ATOM 812 CD2 LEU A 53 60.308 60.277 37.534 1.00 0.90 C ATOM 0 H LEU A 53 64.582 59.141 38.766 1.00 0.40 H new ATOM 0 HA LEU A 53 63.197 60.807 36.684 1.00 0.43 H new ATOM 0 HB2 LEU A 53 62.835 60.715 39.721 1.00 0.54 H new ATOM 0 HB3 LEU A 53 61.981 61.795 38.637 1.00 0.54 H new ATOM 0 HG LEU A 53 61.895 58.877 37.939 1.00 0.54 H new ATOM 0 HD11 LEU A 53 60.062 58.473 39.561 1.00 0.92 H new ATOM 0 HD12 LEU A 53 61.585 58.854 40.399 1.00 0.92 H new ATOM 0 HD13 LEU A 53 60.317 60.093 40.252 1.00 0.92 H new ATOM 0 HD21 LEU A 53 59.570 59.499 37.339 1.00 0.90 H new ATOM 0 HD22 LEU A 53 59.826 61.120 38.029 1.00 0.90 H new ATOM 0 HD23 LEU A 53 60.742 60.610 36.591 1.00 0.90 H new ATOM 824 N ASP A 54 65.107 62.429 36.920 1.00 0.41 N ATOM 825 CA ASP A 54 66.102 63.526 37.101 1.00 0.44 C ATOM 826 C ASP A 54 65.374 64.789 37.562 1.00 0.45 C ATOM 827 O ASP A 54 64.924 65.584 36.758 1.00 0.68 O ATOM 828 CB ASP A 54 66.811 63.799 35.773 1.00 0.50 C ATOM 829 CG ASP A 54 68.051 64.660 36.024 1.00 0.61 C ATOM 830 OD1 ASP A 54 67.946 65.607 36.785 1.00 1.08 O ATOM 831 OD2 ASP A 54 69.084 64.356 35.450 1.00 1.13 O ATOM 0 H ASP A 54 64.862 62.224 35.951 1.00 0.41 H new ATOM 0 HA ASP A 54 66.840 63.234 37.848 1.00 0.44 H new ATOM 0 HB2 ASP A 54 67.097 62.859 35.301 1.00 0.50 H new ATOM 0 HB3 ASP A 54 66.135 64.308 35.086 1.00 0.50 H new ATOM 836 N ILE A 55 65.248 64.972 38.851 1.00 0.43 N ATOM 837 CA ILE A 55 64.542 66.177 39.377 1.00 0.44 C ATOM 838 C ILE A 55 65.366 67.430 39.083 1.00 0.38 C ATOM 839 O ILE A 55 66.568 67.454 39.279 1.00 0.44 O ATOM 840 CB ILE A 55 64.345 66.043 40.890 1.00 0.53 C ATOM 841 CG1 ILE A 55 63.678 64.693 41.209 1.00 0.73 C ATOM 842 CG2 ILE A 55 63.456 67.187 41.388 1.00 0.57 C ATOM 843 CD1 ILE A 55 64.706 63.743 41.830 1.00 0.79 C ATOM 0 H ILE A 55 65.605 64.336 39.564 1.00 0.43 H new ATOM 0 HA ILE A 55 63.570 66.259 38.890 1.00 0.44 H new ATOM 0 HB ILE A 55 65.313 66.090 41.388 1.00 0.53 H new ATOM 0 HG12 ILE A 55 62.845 64.842 41.896 1.00 0.73 H new ATOM 0 HG13 ILE A 55 63.267 64.255 40.299 1.00 0.73 H new ATOM 0 HG21 ILE A 55 63.314 67.095 42.465 1.00 0.57 H new ATOM 0 HG22 ILE A 55 63.933 68.142 41.165 1.00 0.57 H new ATOM 0 HG23 ILE A 55 62.488 67.140 40.889 1.00 0.57 H new ATOM 0 HD11 ILE A 55 64.230 62.788 42.054 1.00 0.79 H new ATOM 0 HD12 ILE A 55 65.525 63.584 41.128 1.00 0.79 H new ATOM 0 HD13 ILE A 55 65.096 64.179 42.750 1.00 0.79 H new ATOM 855 N LEU A 56 64.724 68.471 38.619 1.00 0.41 N ATOM 856 CA LEU A 56 65.454 69.734 38.311 1.00 0.41 C ATOM 857 C LEU A 56 65.026 70.820 39.301 1.00 0.36 C ATOM 858 O LEU A 56 64.041 71.505 39.095 1.00 0.46 O ATOM 859 CB LEU A 56 65.120 70.184 36.887 1.00 0.55 C ATOM 860 CG LEU A 56 65.979 71.395 36.523 1.00 0.72 C ATOM 861 CD1 LEU A 56 67.402 70.933 36.210 1.00 1.06 C ATOM 862 CD2 LEU A 56 65.389 72.090 35.294 1.00 0.97 C ATOM 0 H LEU A 56 63.720 68.499 38.440 1.00 0.41 H new ATOM 0 HA LEU A 56 66.527 69.564 38.395 1.00 0.41 H new ATOM 0 HB2 LEU A 56 65.302 69.371 36.185 1.00 0.55 H new ATOM 0 HB3 LEU A 56 64.063 70.439 36.813 1.00 0.55 H new ATOM 0 HG LEU A 56 65.997 72.092 37.361 1.00 0.72 H new ATOM 0 HD11 LEU A 56 68.016 71.796 35.950 1.00 1.06 H new ATOM 0 HD12 LEU A 56 67.824 70.437 37.084 1.00 1.06 H new ATOM 0 HD13 LEU A 56 67.382 70.236 35.372 1.00 1.06 H new ATOM 0 HD21 LEU A 56 66.002 72.953 35.035 1.00 0.97 H new ATOM 0 HD22 LEU A 56 65.371 71.393 34.456 1.00 0.97 H new ATOM 0 HD23 LEU A 56 64.374 72.419 35.515 1.00 0.97 H new ATOM 874 N ASP A 57 65.760 70.978 40.373 1.00 0.46 N ATOM 875 CA ASP A 57 65.405 72.017 41.383 1.00 0.55 C ATOM 876 C ASP A 57 66.226 73.281 41.126 1.00 0.66 C ATOM 877 O ASP A 57 67.305 73.450 41.662 1.00 1.51 O ATOM 878 CB ASP A 57 65.710 71.486 42.786 1.00 0.69 C ATOM 879 CG ASP A 57 65.161 72.460 43.832 1.00 0.82 C ATOM 880 OD1 ASP A 57 63.951 72.550 43.950 1.00 1.36 O ATOM 881 OD2 ASP A 57 65.962 73.096 44.497 1.00 1.33 O ATOM 0 H ASP A 57 66.592 70.430 40.592 1.00 0.46 H new ATOM 0 HA ASP A 57 64.344 72.253 41.305 1.00 0.55 H new ATOM 0 HB2 ASP A 57 65.261 70.502 42.919 1.00 0.69 H new ATOM 0 HB3 ASP A 57 66.786 71.366 42.915 1.00 0.69 H new ATOM 886 N THR A 58 65.722 74.171 40.308 1.00 0.89 N ATOM 887 CA THR A 58 66.465 75.430 40.008 1.00 0.94 C ATOM 888 C THR A 58 66.640 76.242 41.294 1.00 1.01 C ATOM 889 O THR A 58 65.947 76.028 42.271 1.00 1.32 O ATOM 890 CB THR A 58 65.675 76.257 38.991 1.00 1.04 C ATOM 891 OG1 THR A 58 64.378 76.524 39.505 1.00 1.08 O ATOM 892 CG2 THR A 58 65.556 75.476 37.682 1.00 1.06 C ATOM 0 H THR A 58 64.824 74.078 39.834 1.00 0.89 H new ATOM 0 HA THR A 58 67.444 75.183 39.598 1.00 0.94 H new ATOM 0 HB THR A 58 66.193 77.198 38.805 1.00 1.04 H new ATOM 0 HG1 THR A 58 63.872 77.055 38.855 1.00 1.08 H new ATOM 0 HG21 THR A 58 64.993 76.064 36.957 1.00 1.06 H new ATOM 0 HG22 THR A 58 66.552 75.271 37.289 1.00 1.06 H new ATOM 0 HG23 THR A 58 65.038 74.535 37.866 1.00 1.06 H new ATOM 900 N ALA A 59 67.564 77.171 41.299 1.00 1.00 N ATOM 901 CA ALA A 59 67.793 78.002 42.516 1.00 1.11 C ATOM 902 C ALA A 59 67.627 79.484 42.161 1.00 1.34 C ATOM 903 O ALA A 59 67.035 79.823 41.154 1.00 2.10 O ATOM 904 CB ALA A 59 69.208 77.749 43.044 1.00 1.18 C ATOM 0 H ALA A 59 68.171 77.388 40.508 1.00 1.00 H new ATOM 0 HA ALA A 59 67.068 77.735 43.285 1.00 1.11 H new ATOM 0 HB1 ALA A 59 69.378 78.355 43.934 1.00 1.18 H new ATOM 0 HB2 ALA A 59 69.319 76.695 43.297 1.00 1.18 H new ATOM 0 HB3 ALA A 59 69.936 78.017 42.278 1.00 1.18 H new ATOM 910 N GLY A 60 68.140 80.367 42.981 1.00 1.35 N ATOM 911 CA GLY A 60 68.011 81.828 42.699 1.00 1.75 C ATOM 912 C GLY A 60 68.954 82.219 41.558 1.00 1.96 C ATOM 913 O GLY A 60 68.690 81.947 40.403 1.00 2.57 O ATOM 0 H GLY A 60 68.645 80.137 43.837 1.00 1.35 H new ATOM 0 HA2 GLY A 60 66.982 82.067 42.431 1.00 1.75 H new ATOM 0 HA3 GLY A 60 68.249 82.403 43.594 1.00 1.75 H new ATOM 917 N GLN A 61 70.054 82.857 41.880 1.00 2.38 N ATOM 918 CA GLN A 61 71.031 83.278 40.829 1.00 3.21 C ATOM 919 C GLN A 61 70.371 84.278 39.877 1.00 3.15 C ATOM 920 O GLN A 61 69.456 83.947 39.149 1.00 3.41 O ATOM 921 CB GLN A 61 71.511 82.051 40.042 1.00 3.95 C ATOM 922 CG GLN A 61 72.873 81.602 40.573 1.00 4.29 C ATOM 923 CD GLN A 61 72.721 81.100 42.009 1.00 5.38 C ATOM 924 OE1 GLN A 61 72.230 80.012 42.237 1.00 5.89 O ATOM 925 NE2 GLN A 61 73.123 81.854 42.995 1.00 6.07 N ATOM 0 H GLN A 61 70.318 83.105 42.834 1.00 2.38 H new ATOM 0 HA GLN A 61 71.887 83.752 41.308 1.00 3.21 H new ATOM 0 HB2 GLN A 61 70.788 81.241 40.135 1.00 3.95 H new ATOM 0 HB3 GLN A 61 71.584 82.292 38.982 1.00 3.95 H new ATOM 0 HG2 GLN A 61 73.279 80.812 39.941 1.00 4.29 H new ATOM 0 HG3 GLN A 61 73.580 82.431 40.539 1.00 4.29 H new ATOM 0 HE21 GLN A 61 73.535 82.767 42.804 1.00 6.07 H new ATOM 0 HE22 GLN A 61 73.025 81.530 43.957 1.00 6.07 H new ATOM 934 N GLU A 62 70.838 85.501 39.880 1.00 3.32 N ATOM 935 CA GLU A 62 70.255 86.540 38.980 1.00 3.54 C ATOM 936 C GLU A 62 71.190 86.761 37.790 1.00 3.28 C ATOM 937 O GLU A 62 72.062 85.959 37.516 1.00 3.64 O ATOM 938 CB GLU A 62 70.086 87.852 39.758 1.00 4.44 C ATOM 939 CG GLU A 62 69.308 87.594 41.058 1.00 5.19 C ATOM 940 CD GLU A 62 70.230 87.791 42.265 1.00 6.06 C ATOM 941 OE1 GLU A 62 70.965 88.765 42.270 1.00 6.36 O ATOM 942 OE2 GLU A 62 70.185 86.965 43.161 1.00 6.69 O ATOM 0 H GLU A 62 71.603 85.825 40.471 1.00 3.32 H new ATOM 0 HA GLU A 62 69.282 86.209 38.618 1.00 3.54 H new ATOM 0 HB2 GLU A 62 71.063 88.277 39.987 1.00 4.44 H new ATOM 0 HB3 GLU A 62 69.556 88.582 39.146 1.00 4.44 H new ATOM 0 HG2 GLU A 62 68.458 88.273 41.124 1.00 5.19 H new ATOM 0 HG3 GLU A 62 68.907 86.580 41.057 1.00 5.19 H new ATOM 949 N GLU A 63 71.010 87.845 37.076 1.00 3.19 N ATOM 950 CA GLU A 63 71.878 88.139 35.889 1.00 3.34 C ATOM 951 C GLU A 63 71.550 87.151 34.766 1.00 2.84 C ATOM 952 O GLU A 63 70.518 86.508 34.772 1.00 3.05 O ATOM 953 CB GLU A 63 73.368 88.025 36.277 1.00 4.13 C ATOM 954 CG GLU A 63 74.084 89.352 36.006 1.00 4.86 C ATOM 955 CD GLU A 63 75.533 89.258 36.486 1.00 5.71 C ATOM 956 OE1 GLU A 63 76.370 88.837 35.705 1.00 6.03 O ATOM 957 OE2 GLU A 63 75.781 89.609 37.628 1.00 6.30 O ATOM 0 H GLU A 63 70.293 88.546 37.265 1.00 3.19 H new ATOM 0 HA GLU A 63 71.687 89.156 35.545 1.00 3.34 H new ATOM 0 HB2 GLU A 63 73.459 87.762 37.331 1.00 4.13 H new ATOM 0 HB3 GLU A 63 73.840 87.225 35.707 1.00 4.13 H new ATOM 0 HG2 GLU A 63 74.057 89.581 34.941 1.00 4.86 H new ATOM 0 HG3 GLU A 63 73.572 90.165 36.520 1.00 4.86 H new ATOM 964 N TYR A 64 72.422 87.041 33.797 1.00 2.76 N ATOM 965 CA TYR A 64 72.187 86.111 32.644 1.00 2.73 C ATOM 966 C TYR A 64 71.787 84.713 33.140 1.00 2.39 C ATOM 967 O TYR A 64 72.331 84.203 34.100 1.00 2.82 O ATOM 968 CB TYR A 64 73.468 86.001 31.814 1.00 3.33 C ATOM 969 CG TYR A 64 73.163 85.323 30.497 1.00 3.35 C ATOM 970 CD1 TYR A 64 72.261 85.908 29.599 1.00 3.54 C ATOM 971 CD2 TYR A 64 73.782 84.109 30.176 1.00 3.77 C ATOM 972 CE1 TYR A 64 71.978 85.278 28.380 1.00 4.02 C ATOM 973 CE2 TYR A 64 73.500 83.480 28.957 1.00 4.20 C ATOM 974 CZ TYR A 64 72.597 84.065 28.058 1.00 4.28 C ATOM 975 OH TYR A 64 72.319 83.445 26.857 1.00 5.01 O ATOM 0 H TYR A 64 73.298 87.561 33.752 1.00 2.76 H new ATOM 0 HA TYR A 64 71.375 86.511 32.036 1.00 2.73 H new ATOM 0 HB2 TYR A 64 73.884 86.993 31.636 1.00 3.33 H new ATOM 0 HB3 TYR A 64 74.220 85.433 32.361 1.00 3.33 H new ATOM 0 HD1 TYR A 64 71.784 86.845 29.846 1.00 3.54 H new ATOM 0 HD2 TYR A 64 74.477 83.658 30.868 1.00 3.77 H new ATOM 0 HE1 TYR A 64 71.282 85.729 27.688 1.00 4.02 H new ATOM 0 HE2 TYR A 64 73.978 82.544 28.709 1.00 4.20 H new ATOM 0 HH TYR A 64 72.834 82.614 26.791 1.00 5.01 H new ATOM 985 N SER A 65 70.838 84.098 32.480 1.00 2.21 N ATOM 986 CA SER A 65 70.386 82.735 32.888 1.00 2.11 C ATOM 987 C SER A 65 69.915 81.972 31.647 1.00 1.66 C ATOM 988 O SER A 65 68.747 81.986 31.307 1.00 2.21 O ATOM 989 CB SER A 65 69.226 82.852 33.878 1.00 2.71 C ATOM 990 OG SER A 65 69.711 83.359 35.114 1.00 3.45 O ATOM 0 H SER A 65 70.354 84.486 31.670 1.00 2.21 H new ATOM 0 HA SER A 65 71.212 82.203 33.360 1.00 2.11 H new ATOM 0 HB2 SER A 65 68.457 83.513 33.478 1.00 2.71 H new ATOM 0 HB3 SER A 65 68.762 81.877 34.029 1.00 2.71 H new ATOM 0 HG SER A 65 69.909 84.314 35.021 1.00 3.45 H new ATOM 996 N ALA A 66 70.820 81.314 30.966 1.00 1.36 N ATOM 997 CA ALA A 66 70.436 80.554 29.739 1.00 1.15 C ATOM 998 C ALA A 66 70.316 79.055 30.048 1.00 1.19 C ATOM 999 O ALA A 66 69.771 78.304 29.262 1.00 1.79 O ATOM 1000 CB ALA A 66 71.502 80.763 28.662 1.00 1.35 C ATOM 0 H ALA A 66 71.810 81.271 31.208 1.00 1.36 H new ATOM 0 HA ALA A 66 69.471 80.919 29.388 1.00 1.15 H new ATOM 0 HB1 ALA A 66 71.226 80.210 27.764 1.00 1.35 H new ATOM 0 HB2 ALA A 66 71.577 81.824 28.425 1.00 1.35 H new ATOM 0 HB3 ALA A 66 72.464 80.404 29.028 1.00 1.35 H new ATOM 1006 N MET A 67 70.824 78.609 31.174 1.00 0.93 N ATOM 1007 CA MET A 67 70.736 77.156 31.511 1.00 0.95 C ATOM 1008 C MET A 67 69.329 76.821 32.007 1.00 0.85 C ATOM 1009 O MET A 67 68.817 75.747 31.750 1.00 0.82 O ATOM 1010 CB MET A 67 71.758 76.819 32.599 1.00 1.15 C ATOM 1011 CG MET A 67 72.214 75.368 32.436 1.00 1.25 C ATOM 1012 SD MET A 67 73.286 74.913 33.822 1.00 1.68 S ATOM 1013 CE MET A 67 72.414 73.400 34.299 1.00 1.32 C ATOM 0 H MET A 67 71.294 79.188 31.870 1.00 0.93 H new ATOM 0 HA MET A 67 70.949 76.568 30.618 1.00 0.95 H new ATOM 0 HB2 MET A 67 72.614 77.491 32.530 1.00 1.15 H new ATOM 0 HB3 MET A 67 71.317 76.965 33.585 1.00 1.15 H new ATOM 0 HG2 MET A 67 71.349 74.706 32.399 1.00 1.25 H new ATOM 0 HG3 MET A 67 72.749 75.247 31.494 1.00 1.25 H new ATOM 0 HE1 MET A 67 72.915 72.945 35.153 1.00 1.32 H new ATOM 0 HE2 MET A 67 71.386 73.642 34.568 1.00 1.32 H new ATOM 0 HE3 MET A 67 72.415 72.700 33.463 1.00 1.32 H new ATOM 1023 N ARG A 68 68.699 77.728 32.711 1.00 0.88 N ATOM 1024 CA ARG A 68 67.320 77.460 33.217 1.00 0.86 C ATOM 1025 C ARG A 68 66.353 77.427 32.034 1.00 0.73 C ATOM 1026 O ARG A 68 65.414 76.654 32.008 1.00 0.73 O ATOM 1027 CB ARG A 68 66.901 78.566 34.187 1.00 0.96 C ATOM 1028 CG ARG A 68 65.556 78.202 34.821 1.00 1.03 C ATOM 1029 CD ARG A 68 65.299 79.100 36.034 1.00 1.43 C ATOM 1030 NE ARG A 68 64.410 80.235 35.635 1.00 1.87 N ATOM 1031 CZ ARG A 68 64.275 81.303 36.397 1.00 2.30 C ATOM 1032 NH1 ARG A 68 64.923 81.425 37.533 1.00 2.53 N ATOM 1033 NH2 ARG A 68 63.480 82.264 36.011 1.00 3.11 N ATOM 0 H ARG A 68 69.081 78.642 32.957 1.00 0.88 H new ATOM 0 HA ARG A 68 67.302 76.502 33.737 1.00 0.86 H new ATOM 0 HB2 ARG A 68 67.658 78.693 34.961 1.00 0.96 H new ATOM 0 HB3 ARG A 68 66.822 79.517 33.660 1.00 0.96 H new ATOM 0 HG2 ARG A 68 64.755 78.321 34.092 1.00 1.03 H new ATOM 0 HG3 ARG A 68 65.557 77.155 35.125 1.00 1.03 H new ATOM 0 HD2 ARG A 68 64.834 78.524 36.834 1.00 1.43 H new ATOM 0 HD3 ARG A 68 66.243 79.483 36.423 1.00 1.43 H new ATOM 0 HE ARG A 68 63.897 80.182 34.755 1.00 1.87 H new ATOM 0 HH11 ARG A 68 65.549 80.683 37.845 1.00 2.53 H new ATOM 0 HH12 ARG A 68 64.800 82.262 38.103 1.00 2.53 H new ATOM 0 HH21 ARG A 68 62.973 82.183 35.130 1.00 3.11 H new ATOM 0 HH22 ARG A 68 63.366 83.096 36.591 1.00 3.11 H new ATOM 1047 N ASP A 69 66.584 78.262 31.053 1.00 0.72 N ATOM 1048 CA ASP A 69 65.690 78.290 29.860 1.00 0.68 C ATOM 1049 C ASP A 69 65.941 77.040 29.018 1.00 0.58 C ATOM 1050 O ASP A 69 65.024 76.465 28.459 1.00 0.53 O ATOM 1051 CB ASP A 69 65.989 79.539 29.028 1.00 0.79 C ATOM 1052 CG ASP A 69 64.701 80.034 28.368 1.00 1.02 C ATOM 1053 OD1 ASP A 69 63.692 80.089 29.052 1.00 1.62 O ATOM 1054 OD2 ASP A 69 64.745 80.350 27.191 1.00 1.41 O ATOM 0 H ASP A 69 67.357 78.927 31.029 1.00 0.72 H new ATOM 0 HA ASP A 69 64.648 78.312 30.180 1.00 0.68 H new ATOM 0 HB2 ASP A 69 66.408 80.320 29.663 1.00 0.79 H new ATOM 0 HB3 ASP A 69 66.736 79.312 28.267 1.00 0.79 H new ATOM 1059 N GLN A 70 67.177 76.615 28.924 1.00 0.61 N ATOM 1060 CA GLN A 70 67.493 75.405 28.123 1.00 0.59 C ATOM 1061 C GLN A 70 66.827 74.188 28.765 1.00 0.51 C ATOM 1062 O GLN A 70 66.391 73.278 28.085 1.00 0.53 O ATOM 1063 CB GLN A 70 69.009 75.195 28.078 1.00 0.72 C ATOM 1064 CG GLN A 70 69.583 75.864 26.823 1.00 1.24 C ATOM 1065 CD GLN A 70 70.648 74.959 26.198 1.00 1.74 C ATOM 1066 OE1 GLN A 70 70.327 73.994 25.534 1.00 2.39 O ATOM 1067 NE2 GLN A 70 71.910 75.232 26.384 1.00 2.29 N ATOM 0 H GLN A 70 67.979 77.059 29.371 1.00 0.61 H new ATOM 0 HA GLN A 70 67.120 75.534 27.107 1.00 0.59 H new ATOM 0 HB2 GLN A 70 69.471 75.616 28.971 1.00 0.72 H new ATOM 0 HB3 GLN A 70 69.239 74.130 28.072 1.00 0.72 H new ATOM 0 HG2 GLN A 70 68.786 76.055 26.104 1.00 1.24 H new ATOM 0 HG3 GLN A 70 70.018 76.830 27.080 1.00 1.24 H new ATOM 0 HE21 GLN A 70 72.180 76.042 26.942 1.00 2.29 H new ATOM 0 HE22 GLN A 70 72.627 74.635 25.972 1.00 2.29 H new ATOM 1076 N TYR A 71 66.740 74.171 30.072 1.00 0.53 N ATOM 1077 CA TYR A 71 66.095 73.021 30.766 1.00 0.52 C ATOM 1078 C TYR A 71 64.592 73.065 30.491 1.00 0.45 C ATOM 1079 O TYR A 71 63.937 72.046 30.415 1.00 0.48 O ATOM 1080 CB TYR A 71 66.361 73.110 32.277 1.00 0.62 C ATOM 1081 CG TYR A 71 67.151 71.902 32.727 1.00 0.85 C ATOM 1082 CD1 TYR A 71 66.564 70.632 32.687 1.00 1.07 C ATOM 1083 CD2 TYR A 71 68.466 72.052 33.181 1.00 1.91 C ATOM 1084 CE1 TYR A 71 67.291 69.511 33.103 1.00 1.38 C ATOM 1085 CE2 TYR A 71 69.195 70.931 33.597 1.00 2.32 C ATOM 1086 CZ TYR A 71 68.607 69.660 33.559 1.00 1.79 C ATOM 1087 OH TYR A 71 69.324 68.554 33.970 1.00 2.31 O ATOM 0 H TYR A 71 67.089 74.906 30.687 1.00 0.53 H new ATOM 0 HA TYR A 71 66.508 72.082 30.397 1.00 0.52 H new ATOM 0 HB2 TYR A 71 66.911 74.023 32.506 1.00 0.62 H new ATOM 0 HB3 TYR A 71 65.417 73.162 32.820 1.00 0.62 H new ATOM 0 HD1 TYR A 71 65.549 70.517 32.335 1.00 1.07 H new ATOM 0 HD2 TYR A 71 68.919 73.032 33.211 1.00 1.91 H new ATOM 0 HE1 TYR A 71 66.838 68.531 33.072 1.00 1.38 H new ATOM 0 HE2 TYR A 71 70.210 71.046 33.947 1.00 2.32 H new ATOM 0 HH TYR A 71 70.220 68.832 34.255 1.00 2.31 H new ATOM 1097 N MET A 72 64.045 74.241 30.319 1.00 0.43 N ATOM 1098 CA MET A 72 62.589 74.352 30.019 1.00 0.43 C ATOM 1099 C MET A 72 62.300 73.694 28.661 1.00 0.41 C ATOM 1100 O MET A 72 61.172 73.359 28.356 1.00 0.45 O ATOM 1101 CB MET A 72 62.191 75.828 29.967 1.00 0.48 C ATOM 1102 CG MET A 72 62.096 76.383 31.389 1.00 0.65 C ATOM 1103 SD MET A 72 61.052 77.861 31.389 1.00 1.29 S ATOM 1104 CE MET A 72 60.502 77.751 33.109 1.00 0.90 C ATOM 0 H MET A 72 64.545 75.128 30.374 1.00 0.43 H new ATOM 0 HA MET A 72 62.015 73.850 30.798 1.00 0.43 H new ATOM 0 HB2 MET A 72 62.925 76.393 29.393 1.00 0.48 H new ATOM 0 HB3 MET A 72 61.234 75.939 29.457 1.00 0.48 H new ATOM 0 HG2 MET A 72 61.679 75.630 32.058 1.00 0.65 H new ATOM 0 HG3 MET A 72 63.090 76.627 31.763 1.00 0.65 H new ATOM 0 HE1 MET A 72 60.259 78.748 33.478 1.00 0.90 H new ATOM 0 HE2 MET A 72 59.617 77.117 33.168 1.00 0.90 H new ATOM 0 HE3 MET A 72 61.297 77.322 33.719 1.00 0.90 H new ATOM 1114 N ARG A 73 63.313 73.512 27.841 1.00 0.41 N ATOM 1115 CA ARG A 73 63.103 72.885 26.505 1.00 0.44 C ATOM 1116 C ARG A 73 63.474 71.397 26.554 1.00 0.46 C ATOM 1117 O ARG A 73 62.979 70.603 25.776 1.00 0.62 O ATOM 1118 CB ARG A 73 64.001 73.580 25.475 1.00 0.47 C ATOM 1119 CG ARG A 73 63.337 73.543 24.089 1.00 1.07 C ATOM 1120 CD ARG A 73 64.237 72.790 23.103 1.00 1.36 C ATOM 1121 NE ARG A 73 64.145 73.428 21.753 1.00 1.82 N ATOM 1122 CZ ARG A 73 64.593 72.817 20.672 1.00 2.26 C ATOM 1123 NH1 ARG A 73 65.134 71.622 20.732 1.00 2.41 N ATOM 1124 NH2 ARG A 73 64.495 73.415 19.516 1.00 3.16 N ATOM 0 H ARG A 73 64.277 73.774 28.046 1.00 0.41 H new ATOM 0 HA ARG A 73 62.054 72.989 26.227 1.00 0.44 H new ATOM 0 HB2 ARG A 73 64.180 74.613 25.774 1.00 0.47 H new ATOM 0 HB3 ARG A 73 64.972 73.087 25.435 1.00 0.47 H new ATOM 0 HG2 ARG A 73 62.365 73.055 24.154 1.00 1.07 H new ATOM 0 HG3 ARG A 73 63.161 74.558 23.733 1.00 1.07 H new ATOM 0 HD2 ARG A 73 65.269 72.804 23.453 1.00 1.36 H new ATOM 0 HD3 ARG A 73 63.934 71.745 23.044 1.00 1.36 H new ATOM 0 HE ARG A 73 63.727 74.355 21.666 1.00 1.82 H new ATOM 0 HH11 ARG A 73 65.216 71.144 21.629 1.00 2.41 H new ATOM 0 HH12 ARG A 73 65.472 71.172 19.881 1.00 2.41 H new ATOM 0 HH21 ARG A 73 64.076 74.343 19.456 1.00 3.16 H new ATOM 0 HH22 ARG A 73 64.837 72.954 18.673 1.00 3.16 H new ATOM 1138 N THR A 74 64.363 71.018 27.443 1.00 0.42 N ATOM 1139 CA THR A 74 64.791 69.587 27.520 1.00 0.47 C ATOM 1140 C THR A 74 63.833 68.773 28.401 1.00 0.48 C ATOM 1141 O THR A 74 63.238 67.812 27.949 1.00 0.84 O ATOM 1142 CB THR A 74 66.216 69.512 28.086 1.00 0.50 C ATOM 1143 OG1 THR A 74 66.253 70.095 29.380 1.00 0.49 O ATOM 1144 CG2 THR A 74 67.171 70.270 27.165 1.00 0.55 C ATOM 0 H THR A 74 64.810 71.639 28.118 1.00 0.42 H new ATOM 0 HA THR A 74 64.771 69.162 26.517 1.00 0.47 H new ATOM 0 HB THR A 74 66.519 68.467 28.152 1.00 0.50 H new ATOM 0 HG1 THR A 74 67.164 70.043 29.736 1.00 0.49 H new ATOM 0 HG21 THR A 74 68.183 70.217 27.567 1.00 0.55 H new ATOM 0 HG22 THR A 74 67.151 69.822 26.172 1.00 0.55 H new ATOM 0 HG23 THR A 74 66.861 71.313 27.099 1.00 0.55 H new ATOM 1152 N GLY A 75 63.683 69.139 29.651 1.00 0.37 N ATOM 1153 CA GLY A 75 62.771 68.379 30.558 1.00 0.34 C ATOM 1154 C GLY A 75 61.342 68.432 30.014 1.00 0.35 C ATOM 1155 O GLY A 75 61.092 69.011 28.973 1.00 0.45 O ATOM 0 H GLY A 75 64.155 69.934 30.082 1.00 0.37 H new ATOM 0 HA2 GLY A 75 63.102 67.344 30.638 1.00 0.34 H new ATOM 0 HA3 GLY A 75 62.804 68.803 31.562 1.00 0.34 H new ATOM 1159 N GLU A 76 60.405 67.821 30.700 1.00 0.34 N ATOM 1160 CA GLU A 76 58.993 67.828 30.203 1.00 0.38 C ATOM 1161 C GLU A 76 58.006 67.990 31.365 1.00 0.38 C ATOM 1162 O GLU A 76 57.011 68.680 31.242 1.00 0.45 O ATOM 1163 CB GLU A 76 58.685 66.510 29.476 1.00 0.43 C ATOM 1164 CG GLU A 76 59.835 66.135 28.532 1.00 0.43 C ATOM 1165 CD GLU A 76 60.816 65.202 29.254 1.00 0.53 C ATOM 1166 OE1 GLU A 76 60.907 65.286 30.471 1.00 0.49 O ATOM 1167 OE2 GLU A 76 61.461 64.419 28.577 1.00 1.01 O ATOM 0 H GLU A 76 60.556 67.321 31.576 1.00 0.34 H new ATOM 0 HA GLU A 76 58.883 68.669 29.518 1.00 0.38 H new ATOM 0 HB2 GLU A 76 58.530 65.714 30.204 1.00 0.43 H new ATOM 0 HB3 GLU A 76 57.759 66.608 28.909 1.00 0.43 H new ATOM 0 HG2 GLU A 76 59.442 65.645 27.641 1.00 0.43 H new ATOM 0 HG3 GLU A 76 60.353 67.035 28.199 1.00 0.43 H new ATOM 1174 N GLY A 77 58.262 67.358 32.482 1.00 0.36 N ATOM 1175 CA GLY A 77 57.326 67.474 33.641 1.00 0.39 C ATOM 1176 C GLY A 77 57.472 68.859 34.258 1.00 0.38 C ATOM 1177 O GLY A 77 58.567 69.294 34.548 1.00 0.66 O ATOM 0 H GLY A 77 59.078 66.767 32.642 1.00 0.36 H new ATOM 0 HA2 GLY A 77 56.299 67.314 33.313 1.00 0.39 H new ATOM 0 HA3 GLY A 77 57.547 66.706 34.382 1.00 0.39 H new ATOM 1181 N PHE A 78 56.385 69.563 34.454 1.00 0.28 N ATOM 1182 CA PHE A 78 56.492 70.929 35.045 1.00 0.28 C ATOM 1183 C PHE A 78 55.777 70.990 36.393 1.00 0.29 C ATOM 1184 O PHE A 78 54.571 71.136 36.464 1.00 0.40 O ATOM 1185 CB PHE A 78 55.884 71.954 34.086 1.00 0.29 C ATOM 1186 CG PHE A 78 56.952 72.430 33.131 1.00 0.36 C ATOM 1187 CD1 PHE A 78 58.029 73.187 33.607 1.00 1.27 C ATOM 1188 CD2 PHE A 78 56.871 72.106 31.773 1.00 1.27 C ATOM 1189 CE1 PHE A 78 59.025 73.620 32.723 1.00 1.30 C ATOM 1190 CE2 PHE A 78 57.865 72.539 30.889 1.00 1.35 C ATOM 1191 CZ PHE A 78 58.943 73.296 31.364 1.00 0.63 C ATOM 0 H PHE A 78 55.438 69.254 34.233 1.00 0.28 H new ATOM 0 HA PHE A 78 57.546 71.160 35.203 1.00 0.28 H new ATOM 0 HB2 PHE A 78 55.057 71.508 33.534 1.00 0.29 H new ATOM 0 HB3 PHE A 78 55.476 72.796 34.645 1.00 0.29 H new ATOM 0 HD1 PHE A 78 58.092 73.437 34.656 1.00 1.27 H new ATOM 0 HD2 PHE A 78 56.040 71.521 31.406 1.00 1.27 H new ATOM 0 HE1 PHE A 78 59.856 74.204 33.090 1.00 1.30 H new ATOM 0 HE2 PHE A 78 57.801 72.289 29.840 1.00 1.35 H new ATOM 0 HZ PHE A 78 59.711 73.630 30.682 1.00 0.63 H new ATOM 1201 N LEU A 79 56.524 70.900 37.463 1.00 0.27 N ATOM 1202 CA LEU A 79 55.914 70.974 38.821 1.00 0.28 C ATOM 1203 C LEU A 79 55.870 72.441 39.251 1.00 0.29 C ATOM 1204 O LEU A 79 56.724 72.909 39.979 1.00 0.32 O ATOM 1205 CB LEU A 79 56.764 70.173 39.811 1.00 0.29 C ATOM 1206 CG LEU A 79 56.035 70.080 41.153 1.00 0.35 C ATOM 1207 CD1 LEU A 79 55.067 68.896 41.128 1.00 0.48 C ATOM 1208 CD2 LEU A 79 57.057 69.878 42.275 1.00 0.43 C ATOM 0 H LEU A 79 57.537 70.778 37.452 1.00 0.27 H new ATOM 0 HA LEU A 79 54.907 70.558 38.803 1.00 0.28 H new ATOM 0 HB2 LEU A 79 56.954 69.174 39.418 1.00 0.29 H new ATOM 0 HB3 LEU A 79 57.734 70.652 39.945 1.00 0.29 H new ATOM 0 HG LEU A 79 55.478 71.001 41.328 1.00 0.35 H new ATOM 0 HD11 LEU A 79 54.548 68.830 42.084 1.00 0.48 H new ATOM 0 HD12 LEU A 79 54.339 69.038 40.329 1.00 0.48 H new ATOM 0 HD13 LEU A 79 55.623 67.975 40.953 1.00 0.48 H new ATOM 0 HD21 LEU A 79 56.539 69.812 43.232 1.00 0.43 H new ATOM 0 HD22 LEU A 79 57.613 68.957 42.099 1.00 0.43 H new ATOM 0 HD23 LEU A 79 57.748 70.721 42.294 1.00 0.43 H new ATOM 1220 N CYS A 80 54.888 73.170 38.786 1.00 0.29 N ATOM 1221 CA CYS A 80 54.779 74.616 39.140 1.00 0.31 C ATOM 1222 C CYS A 80 54.480 74.773 40.634 1.00 0.28 C ATOM 1223 O CYS A 80 53.335 74.834 41.039 1.00 0.31 O ATOM 1224 CB CYS A 80 53.647 75.248 38.327 1.00 0.37 C ATOM 1225 SG CYS A 80 54.302 75.873 36.759 1.00 0.61 S ATOM 0 H CYS A 80 54.152 72.822 38.172 1.00 0.29 H new ATOM 0 HA CYS A 80 55.723 75.112 38.913 1.00 0.31 H new ATOM 0 HB2 CYS A 80 52.866 74.512 38.139 1.00 0.37 H new ATOM 0 HB3 CYS A 80 53.190 76.061 38.892 1.00 0.37 H new ATOM 0 HG CYS A 80 53.339 76.407 36.069 1.00 0.61 H new ATOM 1231 N VAL A 81 55.500 74.841 41.456 1.00 0.29 N ATOM 1232 CA VAL A 81 55.274 74.997 42.926 1.00 0.32 C ATOM 1233 C VAL A 81 54.652 76.362 43.210 1.00 0.33 C ATOM 1234 O VAL A 81 54.949 77.341 42.551 1.00 0.53 O ATOM 1235 CB VAL A 81 56.601 74.914 43.691 1.00 0.37 C ATOM 1236 CG1 VAL A 81 56.315 74.647 45.169 1.00 0.47 C ATOM 1237 CG2 VAL A 81 57.470 73.785 43.139 1.00 0.45 C ATOM 0 H VAL A 81 56.478 74.795 41.172 1.00 0.29 H new ATOM 0 HA VAL A 81 54.611 74.195 43.251 1.00 0.32 H new ATOM 0 HB VAL A 81 57.132 75.859 43.574 1.00 0.37 H new ATOM 0 HG11 VAL A 81 57.256 74.587 45.717 1.00 0.47 H new ATOM 0 HG12 VAL A 81 55.710 75.458 45.575 1.00 0.47 H new ATOM 0 HG13 VAL A 81 55.775 73.705 45.271 1.00 0.47 H new ATOM 0 HG21 VAL A 81 58.407 73.742 43.694 1.00 0.45 H new ATOM 0 HG22 VAL A 81 56.943 72.836 43.242 1.00 0.45 H new ATOM 0 HG23 VAL A 81 57.681 73.970 42.086 1.00 0.45 H new ATOM 1247 N PHE A 82 53.809 76.434 44.204 1.00 0.32 N ATOM 1248 CA PHE A 82 53.175 77.730 44.566 1.00 0.40 C ATOM 1249 C PHE A 82 52.764 77.657 46.049 1.00 0.38 C ATOM 1250 O PHE A 82 51.865 76.930 46.418 1.00 0.41 O ATOM 1251 CB PHE A 82 51.989 78.001 43.590 1.00 0.54 C ATOM 1252 CG PHE A 82 50.637 78.083 44.283 1.00 0.37 C ATOM 1253 CD1 PHE A 82 50.348 79.156 45.135 1.00 1.15 C ATOM 1254 CD2 PHE A 82 49.681 77.084 44.067 1.00 1.00 C ATOM 1255 CE1 PHE A 82 49.103 79.228 45.770 1.00 1.39 C ATOM 1256 CE2 PHE A 82 48.437 77.157 44.702 1.00 1.05 C ATOM 1257 CZ PHE A 82 48.148 78.228 45.554 1.00 0.93 C ATOM 0 H PHE A 82 53.531 75.643 44.785 1.00 0.32 H new ATOM 0 HA PHE A 82 53.856 78.574 44.460 1.00 0.40 H new ATOM 0 HB2 PHE A 82 52.173 78.935 43.059 1.00 0.54 H new ATOM 0 HB3 PHE A 82 51.957 77.209 42.842 1.00 0.54 H new ATOM 0 HD1 PHE A 82 51.085 79.927 45.302 1.00 1.15 H new ATOM 0 HD2 PHE A 82 49.904 76.256 43.410 1.00 1.00 H new ATOM 0 HE1 PHE A 82 48.879 80.055 46.427 1.00 1.39 H new ATOM 0 HE2 PHE A 82 47.699 76.386 44.534 1.00 1.05 H new ATOM 0 HZ PHE A 82 47.188 78.283 46.045 1.00 0.93 H new ATOM 1267 N ALA A 83 53.433 78.393 46.895 1.00 0.36 N ATOM 1268 CA ALA A 83 53.100 78.355 48.346 1.00 0.36 C ATOM 1269 C ALA A 83 51.740 79.018 48.572 1.00 0.35 C ATOM 1270 O ALA A 83 51.541 80.176 48.259 1.00 0.42 O ATOM 1271 CB ALA A 83 54.185 79.090 49.129 1.00 0.40 C ATOM 0 H ALA A 83 54.197 79.020 46.642 1.00 0.36 H new ATOM 0 HA ALA A 83 53.050 77.322 48.691 1.00 0.36 H new ATOM 0 HB1 ALA A 83 53.946 79.065 50.192 1.00 0.40 H new ATOM 0 HB2 ALA A 83 55.147 78.605 48.962 1.00 0.40 H new ATOM 0 HB3 ALA A 83 54.238 80.126 48.793 1.00 0.40 H new ATOM 1277 N ILE A 84 50.799 78.278 49.102 1.00 0.40 N ATOM 1278 CA ILE A 84 49.438 78.838 49.342 1.00 0.41 C ATOM 1279 C ILE A 84 49.475 79.861 50.488 1.00 0.46 C ATOM 1280 O ILE A 84 48.598 80.696 50.603 1.00 0.86 O ATOM 1281 CB ILE A 84 48.472 77.692 49.680 1.00 0.38 C ATOM 1282 CG1 ILE A 84 48.881 77.020 51.004 1.00 0.36 C ATOM 1283 CG2 ILE A 84 48.512 76.657 48.552 1.00 0.45 C ATOM 1284 CD1 ILE A 84 47.833 77.331 52.073 1.00 0.71 C ATOM 0 H ILE A 84 50.918 77.304 49.380 1.00 0.40 H new ATOM 0 HA ILE A 84 49.094 79.348 48.442 1.00 0.41 H new ATOM 0 HB ILE A 84 47.464 78.093 49.786 1.00 0.38 H new ATOM 0 HG12 ILE A 84 48.968 75.942 50.866 1.00 0.36 H new ATOM 0 HG13 ILE A 84 49.859 77.381 51.321 1.00 0.36 H new ATOM 0 HG21 ILE A 84 47.829 75.840 48.784 1.00 0.45 H new ATOM 0 HG22 ILE A 84 48.211 77.127 47.616 1.00 0.45 H new ATOM 0 HG23 ILE A 84 49.525 76.266 48.452 1.00 0.45 H new ATOM 0 HD11 ILE A 84 48.119 76.857 53.012 1.00 0.71 H new ATOM 0 HD12 ILE A 84 47.768 78.410 52.216 1.00 0.71 H new ATOM 0 HD13 ILE A 84 46.863 76.949 51.754 1.00 0.71 H new ATOM 1296 N ASN A 85 50.478 79.804 51.332 1.00 0.55 N ATOM 1297 CA ASN A 85 50.561 80.778 52.460 1.00 0.53 C ATOM 1298 C ASN A 85 51.528 81.906 52.094 1.00 0.68 C ATOM 1299 O ASN A 85 52.144 82.512 52.951 1.00 1.15 O ATOM 1300 CB ASN A 85 51.056 80.064 53.719 1.00 0.64 C ATOM 1301 CG ASN A 85 50.799 80.945 54.942 1.00 1.14 C ATOM 1302 OD1 ASN A 85 49.784 81.607 55.026 1.00 1.99 O ATOM 1303 ND2 ASN A 85 51.682 80.982 55.902 1.00 1.49 N ATOM 0 H ASN A 85 51.239 79.126 51.287 1.00 0.55 H new ATOM 0 HA ASN A 85 49.573 81.198 52.649 1.00 0.53 H new ATOM 0 HB2 ASN A 85 50.544 79.108 53.832 1.00 0.64 H new ATOM 0 HB3 ASN A 85 52.121 79.847 53.632 1.00 0.64 H new ATOM 0 HD21 ASN A 85 51.520 81.566 56.722 1.00 1.49 H new ATOM 0 HD22 ASN A 85 52.535 80.426 55.832 1.00 1.49 H new ATOM 1310 N ASN A 86 51.654 82.193 50.826 1.00 0.72 N ATOM 1311 CA ASN A 86 52.565 83.284 50.379 1.00 0.82 C ATOM 1312 C ASN A 86 51.785 84.213 49.449 1.00 0.85 C ATOM 1313 O ASN A 86 51.830 85.420 49.585 1.00 1.70 O ATOM 1314 CB ASN A 86 53.758 82.675 49.628 1.00 0.99 C ATOM 1315 CG ASN A 86 54.699 83.784 49.143 1.00 0.67 C ATOM 1316 OD1 ASN A 86 54.608 84.221 48.012 1.00 0.87 O ATOM 1317 ND2 ASN A 86 55.603 84.260 49.957 1.00 1.36 N ATOM 0 H ASN A 86 51.159 81.713 50.074 1.00 0.72 H new ATOM 0 HA ASN A 86 52.936 83.845 51.237 1.00 0.82 H new ATOM 0 HB2 ASN A 86 54.298 81.990 50.282 1.00 0.99 H new ATOM 0 HB3 ASN A 86 53.403 82.092 48.778 1.00 0.99 H new ATOM 0 HD21 ASN A 86 56.233 84.999 49.644 1.00 1.36 H new ATOM 0 HD22 ASN A 86 55.679 83.893 50.906 1.00 1.36 H new ATOM 1324 N THR A 87 51.070 83.637 48.504 1.00 0.56 N ATOM 1325 CA THR A 87 50.251 84.419 47.512 1.00 0.47 C ATOM 1326 C THR A 87 51.132 84.874 46.338 1.00 0.40 C ATOM 1327 O THR A 87 50.743 84.760 45.188 1.00 0.40 O ATOM 1328 CB THR A 87 49.575 85.639 48.159 1.00 0.57 C ATOM 1329 OG1 THR A 87 49.297 85.359 49.524 1.00 0.84 O ATOM 1330 CG2 THR A 87 48.269 85.944 47.423 1.00 0.58 C ATOM 0 H THR A 87 51.019 82.626 48.376 1.00 0.56 H new ATOM 0 HA THR A 87 49.465 83.758 47.146 1.00 0.47 H new ATOM 0 HB THR A 87 50.239 86.501 48.095 1.00 0.57 H new ATOM 0 HG1 THR A 87 50.063 85.623 50.075 1.00 0.84 H new ATOM 0 HG21 THR A 87 47.787 86.809 47.880 1.00 0.58 H new ATOM 0 HG22 THR A 87 48.483 86.159 46.376 1.00 0.58 H new ATOM 0 HG23 THR A 87 47.605 85.082 47.488 1.00 0.58 H new ATOM 1338 N LYS A 88 52.312 85.387 46.608 1.00 0.41 N ATOM 1339 CA LYS A 88 53.205 85.840 45.508 1.00 0.39 C ATOM 1340 C LYS A 88 53.548 84.659 44.604 1.00 0.35 C ATOM 1341 O LYS A 88 53.782 84.820 43.422 1.00 0.34 O ATOM 1342 CB LYS A 88 54.488 86.434 46.095 1.00 0.45 C ATOM 1343 CG LYS A 88 55.083 87.445 45.111 1.00 0.54 C ATOM 1344 CD LYS A 88 55.714 88.606 45.884 1.00 1.18 C ATOM 1345 CE LYS A 88 56.674 89.368 44.969 1.00 1.50 C ATOM 1346 NZ LYS A 88 57.422 90.381 45.766 1.00 2.14 N ATOM 0 H LYS A 88 52.689 85.509 47.548 1.00 0.41 H new ATOM 0 HA LYS A 88 52.694 86.603 44.921 1.00 0.39 H new ATOM 0 HB2 LYS A 88 54.273 86.920 47.047 1.00 0.45 H new ATOM 0 HB3 LYS A 88 55.208 85.641 46.298 1.00 0.45 H new ATOM 0 HG2 LYS A 88 55.833 86.961 44.486 1.00 0.54 H new ATOM 0 HG3 LYS A 88 54.306 87.819 44.444 1.00 0.54 H new ATOM 0 HD2 LYS A 88 54.937 89.276 46.252 1.00 1.18 H new ATOM 0 HD3 LYS A 88 56.249 88.228 46.756 1.00 1.18 H new ATOM 0 HE2 LYS A 88 57.370 88.675 44.497 1.00 1.50 H new ATOM 0 HE3 LYS A 88 56.119 89.857 44.168 1.00 1.50 H new ATOM 0 HZ1 LYS A 88 58.075 90.899 45.144 1.00 2.14 H new ATOM 0 HZ2 LYS A 88 56.751 91.049 46.197 1.00 2.14 H new ATOM 0 HZ3 LYS A 88 57.963 89.903 46.515 1.00 2.14 H new ATOM 1360 N SER A 89 53.562 83.473 45.151 1.00 0.35 N ATOM 1361 CA SER A 89 53.867 82.267 44.326 1.00 0.36 C ATOM 1362 C SER A 89 52.742 82.083 43.310 1.00 0.33 C ATOM 1363 O SER A 89 52.969 81.696 42.184 1.00 0.34 O ATOM 1364 CB SER A 89 53.953 81.027 45.219 1.00 0.45 C ATOM 1365 OG SER A 89 54.378 81.407 46.521 1.00 0.96 O ATOM 0 H SER A 89 53.375 83.286 46.136 1.00 0.35 H new ATOM 0 HA SER A 89 54.822 82.399 43.818 1.00 0.36 H new ATOM 0 HB2 SER A 89 52.981 80.536 45.271 1.00 0.45 H new ATOM 0 HB3 SER A 89 54.652 80.307 44.793 1.00 0.45 H new ATOM 0 HG SER A 89 55.318 81.681 46.491 1.00 0.96 H new ATOM 1371 N PHE A 90 51.526 82.376 43.705 1.00 0.33 N ATOM 1372 CA PHE A 90 50.365 82.245 42.771 1.00 0.34 C ATOM 1373 C PHE A 90 50.595 83.161 41.568 1.00 0.34 C ATOM 1374 O PHE A 90 50.501 82.744 40.426 1.00 0.36 O ATOM 1375 CB PHE A 90 49.087 82.670 43.501 1.00 0.38 C ATOM 1376 CG PHE A 90 47.902 81.909 42.956 1.00 0.38 C ATOM 1377 CD1 PHE A 90 47.925 80.510 42.915 1.00 1.04 C ATOM 1378 CD2 PHE A 90 46.775 82.604 42.500 1.00 0.92 C ATOM 1379 CE1 PHE A 90 46.821 79.806 42.418 1.00 1.10 C ATOM 1380 CE2 PHE A 90 45.673 81.900 42.002 1.00 0.91 C ATOM 1381 CZ PHE A 90 45.695 80.502 41.962 1.00 0.51 C ATOM 0 H PHE A 90 51.287 82.703 44.641 1.00 0.33 H new ATOM 0 HA PHE A 90 50.266 81.213 42.434 1.00 0.34 H new ATOM 0 HB2 PHE A 90 49.190 82.482 44.570 1.00 0.38 H new ATOM 0 HB3 PHE A 90 48.928 83.742 43.379 1.00 0.38 H new ATOM 0 HD1 PHE A 90 48.794 79.974 43.267 1.00 1.04 H new ATOM 0 HD2 PHE A 90 46.756 83.683 42.533 1.00 0.92 H new ATOM 0 HE1 PHE A 90 46.838 78.727 42.387 1.00 1.10 H new ATOM 0 HE2 PHE A 90 44.805 82.436 41.648 1.00 0.91 H new ATOM 0 HZ PHE A 90 44.843 79.959 41.579 1.00 0.51 H new ATOM 1391 N GLU A 91 50.918 84.404 41.821 1.00 0.35 N ATOM 1392 CA GLU A 91 51.184 85.352 40.702 1.00 0.39 C ATOM 1393 C GLU A 91 52.442 84.900 39.949 1.00 0.37 C ATOM 1394 O GLU A 91 52.635 85.233 38.795 1.00 0.43 O ATOM 1395 CB GLU A 91 51.400 86.759 41.263 1.00 0.44 C ATOM 1396 CG GLU A 91 50.124 87.231 41.963 1.00 0.57 C ATOM 1397 CD GLU A 91 49.968 88.740 41.775 1.00 1.20 C ATOM 1398 OE1 GLU A 91 50.974 89.429 41.806 1.00 1.73 O ATOM 1399 OE2 GLU A 91 48.844 89.182 41.602 1.00 1.84 O ATOM 0 H GLU A 91 51.009 84.802 42.756 1.00 0.35 H new ATOM 0 HA GLU A 91 50.333 85.364 40.021 1.00 0.39 H new ATOM 0 HB2 GLU A 91 52.234 86.758 41.965 1.00 0.44 H new ATOM 0 HB3 GLU A 91 51.662 87.446 40.459 1.00 0.44 H new ATOM 0 HG2 GLU A 91 49.258 86.711 41.553 1.00 0.57 H new ATOM 0 HG3 GLU A 91 50.168 86.989 43.025 1.00 0.57 H new ATOM 1406 N ASP A 92 53.296 84.139 40.595 1.00 0.35 N ATOM 1407 CA ASP A 92 54.539 83.658 39.928 1.00 0.37 C ATOM 1408 C ASP A 92 54.204 82.490 38.997 1.00 0.34 C ATOM 1409 O ASP A 92 54.907 82.235 38.045 1.00 0.44 O ATOM 1410 CB ASP A 92 55.538 83.193 40.988 1.00 0.41 C ATOM 1411 CG ASP A 92 56.448 84.360 41.379 1.00 0.67 C ATOM 1412 OD1 ASP A 92 55.947 85.468 41.480 1.00 1.30 O ATOM 1413 OD2 ASP A 92 57.630 84.126 41.570 1.00 1.22 O ATOM 0 H ASP A 92 53.180 83.832 41.561 1.00 0.35 H new ATOM 0 HA ASP A 92 54.975 84.470 39.347 1.00 0.37 H new ATOM 0 HB2 ASP A 92 55.008 82.822 41.865 1.00 0.41 H new ATOM 0 HB3 ASP A 92 56.135 82.366 40.603 1.00 0.41 H new ATOM 1418 N ILE A 93 53.133 81.782 39.261 1.00 0.30 N ATOM 1419 CA ILE A 93 52.752 80.636 38.383 1.00 0.32 C ATOM 1420 C ILE A 93 52.003 81.177 37.156 1.00 0.35 C ATOM 1421 O ILE A 93 52.004 80.567 36.103 1.00 0.42 O ATOM 1422 CB ILE A 93 51.869 79.658 39.185 1.00 0.32 C ATOM 1423 CG1 ILE A 93 52.701 79.045 40.327 1.00 0.33 C ATOM 1424 CG2 ILE A 93 51.334 78.532 38.280 1.00 0.37 C ATOM 1425 CD1 ILE A 93 53.914 78.290 39.761 1.00 0.38 C ATOM 0 H ILE A 93 52.506 81.950 40.048 1.00 0.30 H new ATOM 0 HA ILE A 93 53.639 80.101 38.043 1.00 0.32 H new ATOM 0 HB ILE A 93 51.020 80.207 39.591 1.00 0.32 H new ATOM 0 HG12 ILE A 93 53.037 79.831 41.003 1.00 0.33 H new ATOM 0 HG13 ILE A 93 52.082 78.365 40.912 1.00 0.33 H new ATOM 0 HG21 ILE A 93 50.714 77.856 38.869 1.00 0.37 H new ATOM 0 HG22 ILE A 93 50.738 78.964 37.476 1.00 0.37 H new ATOM 0 HG23 ILE A 93 52.171 77.979 37.854 1.00 0.37 H new ATOM 0 HD11 ILE A 93 54.492 77.863 40.581 1.00 0.38 H new ATOM 0 HD12 ILE A 93 53.571 77.491 39.104 1.00 0.38 H new ATOM 0 HD13 ILE A 93 54.541 78.980 39.196 1.00 0.38 H new ATOM 1437 N HIS A 94 51.374 82.321 37.284 1.00 0.38 N ATOM 1438 CA HIS A 94 50.635 82.910 36.127 1.00 0.47 C ATOM 1439 C HIS A 94 51.619 83.207 34.987 1.00 0.51 C ATOM 1440 O HIS A 94 51.396 82.829 33.852 1.00 0.84 O ATOM 1441 CB HIS A 94 49.958 84.210 36.573 1.00 0.56 C ATOM 1442 CG HIS A 94 49.111 84.753 35.453 1.00 0.61 C ATOM 1443 ND1 HIS A 94 48.303 83.940 34.675 1.00 0.91 N ATOM 1444 CD2 HIS A 94 48.938 86.026 34.969 1.00 0.64 C ATOM 1445 CE1 HIS A 94 47.688 84.725 33.771 1.00 1.10 C ATOM 1446 NE2 HIS A 94 48.040 86.006 33.907 1.00 0.87 N ATOM 0 H HIS A 94 51.342 82.872 38.142 1.00 0.38 H new ATOM 0 HA HIS A 94 49.881 82.206 35.776 1.00 0.47 H new ATOM 0 HB2 HIS A 94 49.341 84.026 37.452 1.00 0.56 H new ATOM 0 HB3 HIS A 94 50.711 84.943 36.860 1.00 0.56 H new ATOM 0 HD2 HIS A 94 49.425 86.909 35.355 1.00 0.64 H new ATOM 0 HE1 HIS A 94 46.994 84.363 33.026 1.00 1.10 H new ATOM 0 HE2 HIS A 94 47.719 86.799 33.352 1.00 0.87 H new ATOM 1454 N GLN A 95 52.703 83.881 35.283 1.00 0.44 N ATOM 1455 CA GLN A 95 53.705 84.208 34.222 1.00 0.50 C ATOM 1456 C GLN A 95 54.594 82.990 33.962 1.00 0.48 C ATOM 1457 O GLN A 95 55.001 82.739 32.843 1.00 0.63 O ATOM 1458 CB GLN A 95 54.574 85.380 34.685 1.00 0.65 C ATOM 1459 CG GLN A 95 53.741 86.664 34.698 1.00 0.76 C ATOM 1460 CD GLN A 95 54.637 87.858 34.364 1.00 1.24 C ATOM 1461 OE1 GLN A 95 55.566 87.736 33.590 1.00 2.06 O ATOM 1462 NE2 GLN A 95 54.398 89.015 34.919 1.00 1.64 N ATOM 0 H GLN A 95 52.937 84.220 36.216 1.00 0.44 H new ATOM 0 HA GLN A 95 53.183 84.479 33.304 1.00 0.50 H new ATOM 0 HB2 GLN A 95 54.969 85.181 35.681 1.00 0.65 H new ATOM 0 HB3 GLN A 95 55.430 85.496 34.020 1.00 0.65 H new ATOM 0 HG2 GLN A 95 52.930 86.591 33.974 1.00 0.76 H new ATOM 0 HG3 GLN A 95 53.283 86.803 35.677 1.00 0.76 H new ATOM 0 HE21 GLN A 95 53.618 89.118 35.569 1.00 1.64 H new ATOM 0 HE22 GLN A 95 54.991 89.816 34.703 1.00 1.64 H new ATOM 1471 N TYR A 96 54.891 82.230 34.985 1.00 0.50 N ATOM 1472 CA TYR A 96 55.748 81.020 34.804 1.00 0.55 C ATOM 1473 C TYR A 96 55.032 80.021 33.884 1.00 0.53 C ATOM 1474 O TYR A 96 55.652 79.141 33.317 1.00 0.59 O ATOM 1475 CB TYR A 96 56.005 80.363 36.167 1.00 0.78 C ATOM 1476 CG TYR A 96 57.149 81.047 36.903 1.00 0.45 C ATOM 1477 CD1 TYR A 96 57.326 82.442 36.838 1.00 1.19 C ATOM 1478 CD2 TYR A 96 58.028 80.274 37.672 1.00 0.82 C ATOM 1479 CE1 TYR A 96 58.376 83.050 37.538 1.00 1.61 C ATOM 1480 CE2 TYR A 96 59.078 80.884 38.369 1.00 1.15 C ATOM 1481 CZ TYR A 96 59.251 82.271 38.303 1.00 1.43 C ATOM 1482 OH TYR A 96 60.286 82.872 38.992 1.00 2.04 O ATOM 0 H TYR A 96 54.576 82.396 35.941 1.00 0.50 H new ATOM 0 HA TYR A 96 56.698 81.313 34.357 1.00 0.55 H new ATOM 0 HB2 TYR A 96 55.100 80.411 36.773 1.00 0.78 H new ATOM 0 HB3 TYR A 96 56.239 79.308 36.026 1.00 0.78 H new ATOM 0 HD1 TYR A 96 56.651 83.044 36.248 1.00 1.19 H new ATOM 0 HD2 TYR A 96 57.895 79.204 37.728 1.00 0.82 H new ATOM 0 HE1 TYR A 96 58.510 84.120 37.487 1.00 1.61 H new ATOM 0 HE2 TYR A 96 59.755 80.283 38.958 1.00 1.15 H new ATOM 0 HH TYR A 96 60.798 82.189 39.473 1.00 2.04 H new ATOM 1492 N ARG A 97 53.732 80.156 33.720 1.00 0.54 N ATOM 1493 CA ARG A 97 52.983 79.223 32.828 1.00 0.66 C ATOM 1494 C ARG A 97 52.869 79.836 31.428 1.00 0.62 C ATOM 1495 O ARG A 97 51.958 79.530 30.682 1.00 0.86 O ATOM 1496 CB ARG A 97 51.578 78.986 33.394 1.00 0.85 C ATOM 1497 CG ARG A 97 50.961 77.731 32.755 1.00 1.18 C ATOM 1498 CD ARG A 97 49.686 78.107 31.991 1.00 1.52 C ATOM 1499 NE ARG A 97 49.196 76.919 31.223 1.00 2.36 N ATOM 1500 CZ ARG A 97 48.299 77.041 30.265 1.00 3.09 C ATOM 1501 NH1 ARG A 97 47.796 78.208 29.937 1.00 3.22 N ATOM 1502 NH2 ARG A 97 47.901 75.973 29.628 1.00 4.12 N ATOM 0 H ARG A 97 53.163 80.874 34.168 1.00 0.54 H new ATOM 0 HA ARG A 97 53.516 78.274 32.770 1.00 0.66 H new ATOM 0 HB2 ARG A 97 51.628 78.866 34.476 1.00 0.85 H new ATOM 0 HB3 ARG A 97 50.947 79.852 33.198 1.00 0.85 H new ATOM 0 HG2 ARG A 97 51.678 77.267 32.077 1.00 1.18 H new ATOM 0 HG3 ARG A 97 50.730 76.996 33.526 1.00 1.18 H new ATOM 0 HD2 ARG A 97 48.918 78.445 32.687 1.00 1.52 H new ATOM 0 HD3 ARG A 97 49.887 78.935 31.311 1.00 1.52 H new ATOM 0 HE ARG A 97 49.565 75.994 31.446 1.00 2.36 H new ATOM 0 HH11 ARG A 97 48.098 79.050 30.428 1.00 3.22 H new ATOM 0 HH12 ARG A 97 47.103 78.273 29.191 1.00 3.22 H new ATOM 0 HH21 ARG A 97 48.284 75.060 29.874 1.00 4.12 H new ATOM 0 HH22 ARG A 97 47.207 76.052 28.884 1.00 4.12 H new ATOM 1516 N GLU A 98 53.797 80.685 31.061 1.00 0.46 N ATOM 1517 CA GLU A 98 53.766 81.306 29.719 1.00 0.51 C ATOM 1518 C GLU A 98 55.113 81.056 29.068 1.00 0.44 C ATOM 1519 O GLU A 98 55.208 80.637 27.932 1.00 0.48 O ATOM 1520 CB GLU A 98 53.505 82.810 29.849 1.00 0.58 C ATOM 1521 CG GLU A 98 51.999 83.055 29.957 1.00 1.22 C ATOM 1522 CD GLU A 98 51.643 84.376 29.273 1.00 1.85 C ATOM 1523 OE1 GLU A 98 51.945 84.513 28.099 1.00 2.13 O ATOM 1524 OE2 GLU A 98 51.074 85.228 29.935 1.00 2.64 O ATOM 0 H GLU A 98 54.580 80.972 31.648 1.00 0.46 H new ATOM 0 HA GLU A 98 52.969 80.878 29.111 1.00 0.51 H new ATOM 0 HB2 GLU A 98 54.013 83.204 30.729 1.00 0.58 H new ATOM 0 HB3 GLU A 98 53.910 83.337 28.985 1.00 0.58 H new ATOM 0 HG2 GLU A 98 51.453 82.234 29.492 1.00 1.22 H new ATOM 0 HG3 GLU A 98 51.699 83.084 31.005 1.00 1.22 H new ATOM 1531 N GLN A 99 56.150 81.294 29.808 1.00 0.39 N ATOM 1532 CA GLN A 99 57.521 81.067 29.318 1.00 0.40 C ATOM 1533 C GLN A 99 57.697 79.598 28.954 1.00 0.37 C ATOM 1534 O GLN A 99 58.470 79.270 28.087 1.00 0.40 O ATOM 1535 CB GLN A 99 58.490 81.448 30.433 1.00 0.44 C ATOM 1536 CG GLN A 99 59.908 81.561 29.873 1.00 0.54 C ATOM 1537 CD GLN A 99 60.662 82.674 30.604 1.00 1.11 C ATOM 1538 OE1 GLN A 99 60.062 83.606 31.101 1.00 1.99 O ATOM 1539 NE2 GLN A 99 61.963 82.615 30.691 1.00 1.61 N ATOM 0 H GLN A 99 56.098 81.648 30.763 1.00 0.39 H new ATOM 0 HA GLN A 99 57.714 81.670 28.431 1.00 0.40 H new ATOM 0 HB2 GLN A 99 58.189 82.396 30.880 1.00 0.44 H new ATOM 0 HB3 GLN A 99 58.461 80.699 31.224 1.00 0.44 H new ATOM 0 HG2 GLN A 99 60.433 80.613 29.992 1.00 0.54 H new ATOM 0 HG3 GLN A 99 59.872 81.774 28.805 1.00 0.54 H new ATOM 0 HE21 GLN A 99 62.467 81.833 30.274 1.00 1.61 H new ATOM 0 HE22 GLN A 99 62.476 83.351 31.176 1.00 1.61 H new ATOM 1548 N ILE A 100 56.964 78.714 29.586 1.00 0.35 N ATOM 1549 CA ILE A 100 57.075 77.269 29.228 1.00 0.37 C ATOM 1550 C ILE A 100 56.523 77.114 27.817 1.00 0.39 C ATOM 1551 O ILE A 100 57.061 76.398 26.993 1.00 0.44 O ATOM 1552 CB ILE A 100 56.262 76.422 30.210 1.00 0.39 C ATOM 1553 CG1 ILE A 100 56.776 76.659 31.631 1.00 0.40 C ATOM 1554 CG2 ILE A 100 56.410 74.941 29.858 1.00 0.43 C ATOM 1555 CD1 ILE A 100 55.852 75.961 32.631 1.00 0.45 C ATOM 0 H ILE A 100 56.299 78.930 30.329 1.00 0.35 H new ATOM 0 HA ILE A 100 58.111 76.934 29.276 1.00 0.37 H new ATOM 0 HB ILE A 100 55.211 76.705 30.148 1.00 0.39 H new ATOM 0 HG12 ILE A 100 57.792 76.277 31.730 1.00 0.40 H new ATOM 0 HG13 ILE A 100 56.816 77.728 31.841 1.00 0.40 H new ATOM 0 HG21 ILE A 100 55.830 74.341 30.559 1.00 0.43 H new ATOM 0 HG22 ILE A 100 56.045 74.770 28.845 1.00 0.43 H new ATOM 0 HG23 ILE A 100 57.460 74.656 29.919 1.00 0.43 H new ATOM 0 HD11 ILE A 100 56.218 76.130 33.644 1.00 0.45 H new ATOM 0 HD12 ILE A 100 54.844 76.364 32.538 1.00 0.45 H new ATOM 0 HD13 ILE A 100 55.835 74.891 32.425 1.00 0.45 H new ATOM 1567 N LYS A 101 55.472 77.829 27.535 1.00 0.41 N ATOM 1568 CA LYS A 101 54.880 77.799 26.178 1.00 0.47 C ATOM 1569 C LYS A 101 55.882 78.432 25.206 1.00 0.44 C ATOM 1570 O LYS A 101 55.911 78.113 24.037 1.00 0.50 O ATOM 1571 CB LYS A 101 53.573 78.598 26.164 1.00 0.56 C ATOM 1572 CG LYS A 101 52.597 78.007 27.183 1.00 1.04 C ATOM 1573 CD LYS A 101 51.468 79.007 27.452 1.00 1.34 C ATOM 1574 CE LYS A 101 50.156 78.254 27.680 1.00 2.02 C ATOM 1575 NZ LYS A 101 49.027 79.036 27.101 1.00 2.67 N ATOM 0 H LYS A 101 54.995 78.440 28.198 1.00 0.41 H new ATOM 0 HA LYS A 101 54.664 76.772 25.884 1.00 0.47 H new ATOM 0 HB2 LYS A 101 53.772 79.643 26.400 1.00 0.56 H new ATOM 0 HB3 LYS A 101 53.132 78.575 25.168 1.00 0.56 H new ATOM 0 HG2 LYS A 101 52.185 77.071 26.807 1.00 1.04 H new ATOM 0 HG3 LYS A 101 53.120 77.775 28.111 1.00 1.04 H new ATOM 0 HD2 LYS A 101 51.707 79.614 28.326 1.00 1.34 H new ATOM 0 HD3 LYS A 101 51.365 79.690 26.608 1.00 1.34 H new ATOM 0 HE2 LYS A 101 50.205 77.268 27.217 1.00 2.02 H new ATOM 0 HE3 LYS A 101 49.995 78.098 28.747 1.00 2.02 H new ATOM 0 HZ1 LYS A 101 48.135 78.524 27.256 1.00 2.67 H new ATOM 0 HZ2 LYS A 101 48.977 79.967 27.562 1.00 2.67 H new ATOM 0 HZ3 LYS A 101 49.180 79.163 26.080 1.00 2.67 H new ATOM 1589 N ARG A 102 56.708 79.328 25.696 1.00 0.42 N ATOM 1590 CA ARG A 102 57.724 79.991 24.841 1.00 0.46 C ATOM 1591 C ARG A 102 58.749 78.968 24.368 1.00 0.47 C ATOM 1592 O ARG A 102 58.958 78.747 23.192 1.00 0.62 O ATOM 1593 CB ARG A 102 58.445 81.018 25.712 1.00 0.52 C ATOM 1594 CG ARG A 102 58.880 82.224 24.895 1.00 0.66 C ATOM 1595 CD ARG A 102 59.879 83.011 25.735 1.00 0.71 C ATOM 1596 NE ARG A 102 60.166 84.326 25.080 1.00 1.14 N ATOM 1597 CZ ARG A 102 61.189 85.072 25.451 1.00 1.44 C ATOM 1598 NH1 ARG A 102 62.000 84.697 26.414 1.00 1.71 N ATOM 1599 NH2 ARG A 102 61.399 86.209 24.848 1.00 1.83 N ATOM 0 H ARG A 102 56.714 79.627 26.671 1.00 0.42 H new ATOM 0 HA ARG A 102 57.248 80.452 23.976 1.00 0.46 H new ATOM 0 HB2 ARG A 102 57.787 81.340 26.519 1.00 0.52 H new ATOM 0 HB3 ARG A 102 59.317 80.557 26.177 1.00 0.52 H new ATOM 0 HG2 ARG A 102 59.334 81.907 23.956 1.00 0.66 H new ATOM 0 HG3 ARG A 102 58.021 82.844 24.640 1.00 0.66 H new ATOM 0 HD2 ARG A 102 59.479 83.172 26.736 1.00 0.71 H new ATOM 0 HD3 ARG A 102 60.801 82.442 25.848 1.00 0.71 H new ATOM 0 HE ARG A 102 59.557 84.653 24.330 1.00 1.14 H new ATOM 0 HH11 ARG A 102 61.846 83.810 26.894 1.00 1.71 H new ATOM 0 HH12 ARG A 102 62.784 85.292 26.682 1.00 1.71 H new ATOM 0 HH21 ARG A 102 60.776 86.512 24.099 1.00 1.83 H new ATOM 0 HH22 ARG A 102 62.186 86.795 25.125 1.00 1.83 H new ATOM 1613 N VAL A 103 59.402 78.373 25.316 1.00 0.41 N ATOM 1614 CA VAL A 103 60.459 77.372 25.048 1.00 0.45 C ATOM 1615 C VAL A 103 59.937 76.276 24.113 1.00 0.48 C ATOM 1616 O VAL A 103 60.335 76.194 22.965 1.00 0.56 O ATOM 1617 CB VAL A 103 60.889 76.767 26.388 1.00 0.45 C ATOM 1618 CG1 VAL A 103 62.102 75.902 26.170 1.00 0.62 C ATOM 1619 CG2 VAL A 103 61.262 77.875 27.377 1.00 0.48 C ATOM 0 H VAL A 103 59.238 78.548 26.308 1.00 0.41 H new ATOM 0 HA VAL A 103 61.309 77.848 24.559 1.00 0.45 H new ATOM 0 HB VAL A 103 60.062 76.182 26.790 1.00 0.45 H new ATOM 0 HG11 VAL A 103 62.414 75.468 27.120 1.00 0.62 H new ATOM 0 HG12 VAL A 103 61.859 75.104 25.468 1.00 0.62 H new ATOM 0 HG13 VAL A 103 62.912 76.507 25.764 1.00 0.62 H new ATOM 0 HG21 VAL A 103 61.565 77.430 28.325 1.00 0.48 H new ATOM 0 HG22 VAL A 103 62.086 78.462 26.972 1.00 0.48 H new ATOM 0 HG23 VAL A 103 60.400 78.523 27.540 1.00 0.48 H new ATOM 1629 N LYS A 104 59.041 75.448 24.586 1.00 0.48 N ATOM 1630 CA LYS A 104 58.483 74.373 23.715 1.00 0.57 C ATOM 1631 C LYS A 104 57.694 75.005 22.557 1.00 0.56 C ATOM 1632 O LYS A 104 57.404 74.355 21.570 1.00 0.62 O ATOM 1633 CB LYS A 104 57.551 73.481 24.539 1.00 0.61 C ATOM 1634 CG LYS A 104 58.333 72.853 25.696 1.00 0.85 C ATOM 1635 CD LYS A 104 58.869 71.480 25.273 1.00 0.86 C ATOM 1636 CE LYS A 104 58.687 70.480 26.417 1.00 1.06 C ATOM 1637 NZ LYS A 104 58.582 69.101 25.860 1.00 1.62 N ATOM 0 H LYS A 104 58.673 75.471 25.537 1.00 0.48 H new ATOM 0 HA LYS A 104 59.300 73.774 23.312 1.00 0.57 H new ATOM 0 HB2 LYS A 104 56.718 74.067 24.926 1.00 0.61 H new ATOM 0 HB3 LYS A 104 57.126 72.701 23.908 1.00 0.61 H new ATOM 0 HG2 LYS A 104 59.159 73.503 25.985 1.00 0.85 H new ATOM 0 HG3 LYS A 104 57.689 72.749 26.569 1.00 0.85 H new ATOM 0 HD2 LYS A 104 58.342 71.131 24.385 1.00 0.86 H new ATOM 0 HD3 LYS A 104 59.924 71.556 25.008 1.00 0.86 H new ATOM 0 HE2 LYS A 104 59.529 70.542 27.106 1.00 1.06 H new ATOM 0 HE3 LYS A 104 57.790 70.723 26.987 1.00 1.06 H new ATOM 0 HZ1 LYS A 104 58.458 68.421 26.637 1.00 1.62 H new ATOM 0 HZ2 LYS A 104 57.765 69.047 25.219 1.00 1.62 H new ATOM 0 HZ3 LYS A 104 59.450 68.872 25.334 1.00 1.62 H new ATOM 1651 N ASP A 105 57.340 76.268 22.671 1.00 0.53 N ATOM 1652 CA ASP A 105 56.567 76.944 21.585 1.00 0.56 C ATOM 1653 C ASP A 105 55.244 76.202 21.366 1.00 0.59 C ATOM 1654 O ASP A 105 54.866 75.897 20.249 1.00 0.66 O ATOM 1655 CB ASP A 105 57.385 76.939 20.290 1.00 0.61 C ATOM 1656 CG ASP A 105 57.008 78.156 19.444 1.00 1.32 C ATOM 1657 OD1 ASP A 105 56.869 79.227 20.012 1.00 1.94 O ATOM 1658 OD2 ASP A 105 56.863 77.997 18.244 1.00 2.02 O ATOM 0 H ASP A 105 57.556 76.858 23.475 1.00 0.53 H new ATOM 0 HA ASP A 105 56.361 77.975 21.872 1.00 0.56 H new ATOM 0 HB2 ASP A 105 58.450 76.959 20.520 1.00 0.61 H new ATOM 0 HB3 ASP A 105 57.196 76.022 19.732 1.00 0.61 H new ATOM 1663 N SER A 106 54.544 75.907 22.430 1.00 0.62 N ATOM 1664 CA SER A 106 53.247 75.178 22.304 1.00 0.73 C ATOM 1665 C SER A 106 52.591 75.051 23.680 1.00 0.74 C ATOM 1666 O SER A 106 53.235 75.200 24.701 1.00 1.35 O ATOM 1667 CB SER A 106 53.503 73.782 21.734 1.00 0.77 C ATOM 1668 OG SER A 106 53.453 73.837 20.314 1.00 1.46 O ATOM 0 H SER A 106 54.816 76.141 23.385 1.00 0.62 H new ATOM 0 HA SER A 106 52.585 75.731 21.638 1.00 0.73 H new ATOM 0 HB2 SER A 106 54.476 73.416 22.061 1.00 0.77 H new ATOM 0 HB3 SER A 106 52.757 73.081 22.109 1.00 0.77 H new ATOM 0 HG SER A 106 54.164 74.426 19.984 1.00 1.46 H new ATOM 1674 N ASP A 107 51.313 74.774 23.708 1.00 0.74 N ATOM 1675 CA ASP A 107 50.597 74.630 25.009 1.00 0.72 C ATOM 1676 C ASP A 107 50.126 73.180 25.164 1.00 0.67 C ATOM 1677 O ASP A 107 48.950 72.883 25.047 1.00 0.75 O ATOM 1678 CB ASP A 107 49.388 75.573 25.029 1.00 0.93 C ATOM 1679 CG ASP A 107 48.676 75.481 26.383 1.00 1.75 C ATOM 1680 OD1 ASP A 107 49.347 75.225 27.369 1.00 2.49 O ATOM 1681 OD2 ASP A 107 47.471 75.667 26.409 1.00 2.39 O ATOM 0 H ASP A 107 50.732 74.641 22.880 1.00 0.74 H new ATOM 0 HA ASP A 107 51.265 74.885 25.831 1.00 0.72 H new ATOM 0 HB2 ASP A 107 49.712 76.598 24.848 1.00 0.93 H new ATOM 0 HB3 ASP A 107 48.698 75.311 24.227 1.00 0.93 H new ATOM 1686 N ASP A 108 51.037 72.275 25.421 1.00 0.58 N ATOM 1687 CA ASP A 108 50.644 70.843 25.578 1.00 0.58 C ATOM 1688 C ASP A 108 51.696 70.095 26.408 1.00 0.51 C ATOM 1689 O ASP A 108 52.097 68.997 26.070 1.00 0.51 O ATOM 1690 CB ASP A 108 50.524 70.201 24.189 1.00 0.65 C ATOM 1691 CG ASP A 108 49.265 69.332 24.125 1.00 1.42 C ATOM 1692 OD1 ASP A 108 49.013 68.617 25.080 1.00 2.14 O ATOM 1693 OD2 ASP A 108 48.574 69.398 23.121 1.00 2.09 O ATOM 0 H ASP A 108 52.033 72.466 25.528 1.00 0.58 H new ATOM 0 HA ASP A 108 49.686 70.784 26.094 1.00 0.58 H new ATOM 0 HB2 ASP A 108 50.482 70.975 23.423 1.00 0.65 H new ATOM 0 HB3 ASP A 108 51.406 69.595 23.981 1.00 0.65 H new ATOM 1698 N VAL A 109 52.137 70.675 27.497 1.00 0.49 N ATOM 1699 CA VAL A 109 53.150 70.003 28.358 1.00 0.45 C ATOM 1700 C VAL A 109 52.382 69.305 29.474 1.00 0.41 C ATOM 1701 O VAL A 109 51.348 69.802 29.853 1.00 0.48 O ATOM 1702 CB VAL A 109 54.055 71.049 29.059 1.00 0.49 C ATOM 1703 CG1 VAL A 109 55.478 70.510 29.202 1.00 0.55 C ATOM 1704 CG2 VAL A 109 54.083 72.382 28.324 1.00 0.53 C ATOM 0 H VAL A 109 51.834 71.592 27.826 1.00 0.49 H new ATOM 0 HA VAL A 109 53.754 69.331 27.748 1.00 0.45 H new ATOM 0 HB VAL A 109 53.626 71.227 30.045 1.00 0.49 H new ATOM 0 HG11 VAL A 109 56.101 71.255 29.696 1.00 0.55 H new ATOM 0 HG12 VAL A 109 55.463 69.597 29.798 1.00 0.55 H new ATOM 0 HG13 VAL A 109 55.886 70.293 28.215 1.00 0.55 H new ATOM 0 HG21 VAL A 109 54.731 73.078 28.857 1.00 0.53 H new ATOM 0 HG22 VAL A 109 54.464 72.233 27.314 1.00 0.53 H new ATOM 0 HG23 VAL A 109 53.074 72.791 28.274 1.00 0.53 H new ATOM 1714 N PRO A 110 52.923 68.243 30.040 1.00 0.37 N ATOM 1715 CA PRO A 110 52.284 67.611 31.202 1.00 0.34 C ATOM 1716 C PRO A 110 52.461 68.615 32.350 1.00 0.31 C ATOM 1717 O PRO A 110 53.419 68.556 33.101 1.00 0.34 O ATOM 1718 CB PRO A 110 53.089 66.327 31.450 1.00 0.36 C ATOM 1719 CG PRO A 110 54.239 66.289 30.409 1.00 0.42 C ATOM 1720 CD PRO A 110 54.157 67.574 29.575 1.00 0.43 C ATOM 0 HA PRO A 110 51.228 67.367 31.086 1.00 0.34 H new ATOM 0 HB2 PRO A 110 53.489 66.315 32.464 1.00 0.36 H new ATOM 0 HB3 PRO A 110 52.451 65.449 31.349 1.00 0.36 H new ATOM 0 HG2 PRO A 110 55.205 66.219 30.909 1.00 0.42 H new ATOM 0 HG3 PRO A 110 54.147 65.411 29.769 1.00 0.42 H new ATOM 0 HD2 PRO A 110 55.032 68.204 29.731 1.00 0.43 H new ATOM 0 HD3 PRO A 110 54.110 67.352 28.509 1.00 0.43 H new ATOM 1728 N MET A 111 51.578 69.581 32.437 1.00 0.36 N ATOM 1729 CA MET A 111 51.718 70.643 33.464 1.00 0.36 C ATOM 1730 C MET A 111 51.140 70.157 34.798 1.00 0.34 C ATOM 1731 O MET A 111 50.250 69.327 34.822 1.00 0.43 O ATOM 1732 CB MET A 111 50.948 71.882 33.011 1.00 0.50 C ATOM 1733 CG MET A 111 51.488 73.112 33.748 1.00 0.62 C ATOM 1734 SD MET A 111 51.412 74.558 32.662 1.00 1.14 S ATOM 1735 CE MET A 111 52.967 74.261 31.785 1.00 0.69 C ATOM 0 H MET A 111 50.762 69.674 31.832 1.00 0.36 H new ATOM 0 HA MET A 111 52.774 70.883 33.592 1.00 0.36 H new ATOM 0 HB2 MET A 111 51.051 72.015 31.934 1.00 0.50 H new ATOM 0 HB3 MET A 111 49.885 71.759 33.216 1.00 0.50 H new ATOM 0 HG2 MET A 111 50.904 73.292 34.651 1.00 0.62 H new ATOM 0 HG3 MET A 111 52.516 72.936 34.064 1.00 0.62 H new ATOM 0 HE1 MET A 111 53.280 75.175 31.280 1.00 0.69 H new ATOM 0 HE2 MET A 111 53.735 73.959 32.498 1.00 0.69 H new ATOM 0 HE3 MET A 111 52.824 73.470 31.049 1.00 0.69 H new ATOM 1745 N VAL A 112 51.615 70.676 35.905 1.00 0.30 N ATOM 1746 CA VAL A 112 51.066 70.251 37.234 1.00 0.32 C ATOM 1747 C VAL A 112 51.257 71.383 38.246 1.00 0.30 C ATOM 1748 O VAL A 112 52.357 71.640 38.696 1.00 0.38 O ATOM 1749 CB VAL A 112 51.790 68.997 37.748 1.00 0.39 C ATOM 1750 CG1 VAL A 112 51.005 68.409 38.922 1.00 0.45 C ATOM 1751 CG2 VAL A 112 51.889 67.948 36.636 1.00 0.49 C ATOM 0 H VAL A 112 52.358 71.374 35.947 1.00 0.30 H new ATOM 0 HA VAL A 112 50.007 70.023 37.114 1.00 0.32 H new ATOM 0 HB VAL A 112 52.795 69.273 38.068 1.00 0.39 H new ATOM 0 HG11 VAL A 112 51.514 67.519 39.291 1.00 0.45 H new ATOM 0 HG12 VAL A 112 50.939 69.147 39.722 1.00 0.45 H new ATOM 0 HG13 VAL A 112 50.001 68.142 38.591 1.00 0.45 H new ATOM 0 HG21 VAL A 112 52.404 67.065 37.014 1.00 0.49 H new ATOM 0 HG22 VAL A 112 50.887 67.671 36.307 1.00 0.49 H new ATOM 0 HG23 VAL A 112 52.446 68.361 35.795 1.00 0.49 H new ATOM 1761 N LEU A 113 50.192 72.053 38.617 1.00 0.25 N ATOM 1762 CA LEU A 113 50.313 73.161 39.611 1.00 0.25 C ATOM 1763 C LEU A 113 50.141 72.580 41.012 1.00 0.26 C ATOM 1764 O LEU A 113 49.101 72.054 41.361 1.00 0.34 O ATOM 1765 CB LEU A 113 49.249 74.241 39.318 1.00 0.26 C ATOM 1766 CG LEU A 113 49.197 75.286 40.445 1.00 0.28 C ATOM 1767 CD1 LEU A 113 50.506 76.083 40.480 1.00 0.75 C ATOM 1768 CD2 LEU A 113 48.024 76.239 40.197 1.00 0.77 C ATOM 0 H LEU A 113 49.247 71.879 38.274 1.00 0.25 H new ATOM 0 HA LEU A 113 51.294 73.631 39.542 1.00 0.25 H new ATOM 0 HB2 LEU A 113 49.476 74.733 38.372 1.00 0.26 H new ATOM 0 HB3 LEU A 113 48.271 73.772 39.207 1.00 0.26 H new ATOM 0 HG LEU A 113 49.063 74.779 41.401 1.00 0.28 H new ATOM 0 HD11 LEU A 113 50.461 76.821 41.281 1.00 0.75 H new ATOM 0 HD12 LEU A 113 51.340 75.405 40.658 1.00 0.75 H new ATOM 0 HD13 LEU A 113 50.648 76.591 39.526 1.00 0.75 H new ATOM 0 HD21 LEU A 113 47.984 76.981 40.994 1.00 0.77 H new ATOM 0 HD22 LEU A 113 48.160 76.742 39.239 1.00 0.77 H new ATOM 0 HD23 LEU A 113 47.093 75.673 40.181 1.00 0.77 H new ATOM 1780 N VAL A 114 51.170 72.674 41.806 1.00 0.27 N ATOM 1781 CA VAL A 114 51.111 72.136 43.186 1.00 0.31 C ATOM 1782 C VAL A 114 51.101 73.301 44.184 1.00 0.36 C ATOM 1783 O VAL A 114 51.683 74.344 43.945 1.00 0.68 O ATOM 1784 CB VAL A 114 52.337 71.251 43.428 1.00 0.43 C ATOM 1785 CG1 VAL A 114 52.261 70.650 44.825 1.00 0.50 C ATOM 1786 CG2 VAL A 114 52.368 70.118 42.396 1.00 0.52 C ATOM 0 H VAL A 114 52.058 73.106 41.551 1.00 0.27 H new ATOM 0 HA VAL A 114 50.205 71.545 43.319 1.00 0.31 H new ATOM 0 HB VAL A 114 53.239 71.855 43.334 1.00 0.43 H new ATOM 0 HG11 VAL A 114 53.133 70.020 44.998 1.00 0.50 H new ATOM 0 HG12 VAL A 114 52.239 71.450 45.565 1.00 0.50 H new ATOM 0 HG13 VAL A 114 51.356 70.049 44.914 1.00 0.50 H new ATOM 0 HG21 VAL A 114 53.242 69.490 42.571 1.00 0.52 H new ATOM 0 HG22 VAL A 114 51.464 69.516 42.489 1.00 0.52 H new ATOM 0 HG23 VAL A 114 52.420 70.541 41.393 1.00 0.52 H new ATOM 1796 N GLY A 115 50.448 73.120 45.302 1.00 0.45 N ATOM 1797 CA GLY A 115 50.393 74.196 46.331 1.00 0.50 C ATOM 1798 C GLY A 115 51.212 73.762 47.545 1.00 0.43 C ATOM 1799 O GLY A 115 50.731 73.039 48.395 1.00 0.50 O ATOM 0 H GLY A 115 49.947 72.266 45.547 1.00 0.45 H new ATOM 0 HA2 GLY A 115 50.787 75.127 45.924 1.00 0.50 H new ATOM 0 HA3 GLY A 115 49.360 74.387 46.622 1.00 0.50 H new ATOM 1803 N ASN A 116 52.448 74.187 47.628 1.00 0.39 N ATOM 1804 CA ASN A 116 53.304 73.782 48.782 1.00 0.36 C ATOM 1805 C ASN A 116 52.912 74.572 50.029 1.00 0.38 C ATOM 1806 O ASN A 116 52.190 75.548 49.959 1.00 0.44 O ATOM 1807 CB ASN A 116 54.774 74.054 48.454 1.00 0.43 C ATOM 1808 CG ASN A 116 55.664 73.200 49.360 1.00 0.51 C ATOM 1809 OD1 ASN A 116 55.469 71.913 49.419 1.00 1.35 O flip ATOM 1810 ND2 ASN A 116 56.546 73.709 50.023 1.00 1.03 N flip ATOM 0 H ASN A 116 52.900 74.797 46.946 1.00 0.39 H new ATOM 0 HA ASN A 116 53.160 72.718 48.970 1.00 0.36 H new ATOM 0 HB2 ASN A 116 54.973 73.823 47.408 1.00 0.43 H new ATOM 0 HB3 ASN A 116 55.000 75.111 48.596 1.00 0.43 H new ATOM 0 HD21 ASN A 116 56.701 74.716 49.979 1.00 1.03 H new ATOM 0 HD22 ASN A 116 57.132 73.129 50.624 1.00 1.03 H new ATOM 1817 N LYS A 117 53.392 74.150 51.172 1.00 0.38 N ATOM 1818 CA LYS A 117 53.074 74.858 52.451 1.00 0.44 C ATOM 1819 C LYS A 117 51.585 74.695 52.776 1.00 0.43 C ATOM 1820 O LYS A 117 50.908 75.640 53.136 1.00 0.56 O ATOM 1821 CB LYS A 117 53.436 76.353 52.334 1.00 0.56 C ATOM 1822 CG LYS A 117 54.698 76.646 53.150 1.00 0.98 C ATOM 1823 CD LYS A 117 54.795 78.149 53.420 1.00 0.90 C ATOM 1824 CE LYS A 117 55.569 78.825 52.286 1.00 0.78 C ATOM 1825 NZ LYS A 117 56.388 79.940 52.841 1.00 1.29 N ATOM 0 H LYS A 117 53.998 73.336 51.275 1.00 0.38 H new ATOM 0 HA LYS A 117 53.662 74.421 53.258 1.00 0.44 H new ATOM 0 HB2 LYS A 117 53.598 76.617 51.289 1.00 0.56 H new ATOM 0 HB3 LYS A 117 52.609 76.966 52.693 1.00 0.56 H new ATOM 0 HG2 LYS A 117 54.670 76.098 54.092 1.00 0.98 H new ATOM 0 HG3 LYS A 117 55.581 76.305 52.609 1.00 0.98 H new ATOM 0 HD2 LYS A 117 53.797 78.580 53.500 1.00 0.90 H new ATOM 0 HD3 LYS A 117 55.296 78.326 54.372 1.00 0.90 H new ATOM 0 HE2 LYS A 117 56.212 78.100 51.787 1.00 0.78 H new ATOM 0 HE3 LYS A 117 54.877 79.206 51.535 1.00 0.78 H new ATOM 0 HZ1 LYS A 117 56.915 80.400 52.071 1.00 1.29 H new ATOM 0 HZ2 LYS A 117 55.764 80.635 53.298 1.00 1.29 H new ATOM 0 HZ3 LYS A 117 57.058 79.563 53.542 1.00 1.29 H new ATOM 1839 N CYS A 118 51.076 73.493 52.665 1.00 0.39 N ATOM 1840 CA CYS A 118 49.636 73.253 52.983 1.00 0.47 C ATOM 1841 C CYS A 118 49.518 72.538 54.337 1.00 0.53 C ATOM 1842 O CYS A 118 48.537 71.872 54.610 1.00 0.77 O ATOM 1843 CB CYS A 118 48.997 72.394 51.884 1.00 0.50 C ATOM 1844 SG CYS A 118 49.917 70.845 51.691 1.00 0.51 S ATOM 0 H CYS A 118 51.596 72.668 52.368 1.00 0.39 H new ATOM 0 HA CYS A 118 49.116 74.209 53.035 1.00 0.47 H new ATOM 0 HB2 CYS A 118 47.958 72.180 52.136 1.00 0.50 H new ATOM 0 HB3 CYS A 118 48.990 72.942 50.942 1.00 0.50 H new ATOM 0 HG CYS A 118 51.192 71.098 51.668 1.00 0.51 H new ATOM 1850 N ASP A 119 50.512 72.672 55.184 1.00 0.52 N ATOM 1851 CA ASP A 119 50.465 72.004 56.520 1.00 0.57 C ATOM 1852 C ASP A 119 50.315 73.062 57.619 1.00 0.72 C ATOM 1853 O ASP A 119 50.896 72.950 58.682 1.00 1.18 O ATOM 1854 CB ASP A 119 51.760 71.213 56.741 1.00 0.49 C ATOM 1855 CG ASP A 119 52.968 72.145 56.599 1.00 0.49 C ATOM 1856 OD1 ASP A 119 53.320 72.461 55.475 1.00 0.89 O ATOM 1857 OD2 ASP A 119 53.521 72.526 57.618 1.00 0.95 O ATOM 0 H ASP A 119 51.355 73.217 55.005 1.00 0.52 H new ATOM 0 HA ASP A 119 49.614 71.324 56.556 1.00 0.57 H new ATOM 0 HB2 ASP A 119 51.755 70.758 57.732 1.00 0.49 H new ATOM 0 HB3 ASP A 119 51.829 70.401 56.017 1.00 0.49 H new ATOM 1862 N LEU A 120 49.542 74.087 57.366 1.00 0.85 N ATOM 1863 CA LEU A 120 49.351 75.159 58.389 1.00 1.01 C ATOM 1864 C LEU A 120 47.909 75.675 58.334 1.00 1.33 C ATOM 1865 O LEU A 120 47.122 75.256 57.507 1.00 1.60 O ATOM 1866 CB LEU A 120 50.333 76.312 58.130 1.00 1.19 C ATOM 1867 CG LEU A 120 50.304 76.726 56.650 1.00 1.47 C ATOM 1868 CD1 LEU A 120 49.436 77.971 56.482 1.00 2.12 C ATOM 1869 CD2 LEU A 120 51.727 77.040 56.178 1.00 1.96 C ATOM 0 H LEU A 120 49.034 74.228 56.493 1.00 0.85 H new ATOM 0 HA LEU A 120 49.545 74.747 59.379 1.00 1.01 H new ATOM 0 HB2 LEU A 120 50.074 77.165 58.757 1.00 1.19 H new ATOM 0 HB3 LEU A 120 51.342 76.007 58.408 1.00 1.19 H new ATOM 0 HG LEU A 120 49.891 75.909 56.058 1.00 1.47 H new ATOM 0 HD11 LEU A 120 49.417 78.262 55.432 1.00 2.12 H new ATOM 0 HD12 LEU A 120 48.421 77.755 56.817 1.00 2.12 H new ATOM 0 HD13 LEU A 120 49.849 78.785 57.077 1.00 2.12 H new ATOM 0 HD21 LEU A 120 51.706 77.333 55.128 1.00 1.96 H new ATOM 0 HD22 LEU A 120 52.137 77.855 56.775 1.00 1.96 H new ATOM 0 HD23 LEU A 120 52.353 76.155 56.295 1.00 1.96 H new ATOM 1881 N ALA A 121 47.555 76.570 59.224 1.00 1.47 N ATOM 1882 CA ALA A 121 46.160 77.107 59.247 1.00 1.90 C ATOM 1883 C ALA A 121 46.066 78.383 58.402 1.00 1.41 C ATOM 1884 O ALA A 121 45.067 78.630 57.754 1.00 1.71 O ATOM 1885 CB ALA A 121 45.768 77.424 60.692 1.00 2.57 C ATOM 0 H ALA A 121 48.175 76.953 59.938 1.00 1.47 H new ATOM 0 HA ALA A 121 45.484 76.360 58.832 1.00 1.90 H new ATOM 0 HB1 ALA A 121 44.751 77.816 60.715 1.00 2.57 H new ATOM 0 HB2 ALA A 121 45.820 76.515 61.291 1.00 2.57 H new ATOM 0 HB3 ALA A 121 46.453 78.167 61.100 1.00 2.57 H new ATOM 1891 N ALA A 122 47.094 79.196 58.408 1.00 0.98 N ATOM 1892 CA ALA A 122 47.064 80.461 57.608 1.00 1.01 C ATOM 1893 C ALA A 122 46.869 80.130 56.124 1.00 0.88 C ATOM 1894 O ALA A 122 47.819 79.890 55.402 1.00 1.20 O ATOM 1895 CB ALA A 122 48.385 81.213 57.796 1.00 1.35 C ATOM 0 H ALA A 122 47.954 79.038 58.933 1.00 0.98 H new ATOM 0 HA ALA A 122 46.237 81.085 57.948 1.00 1.01 H new ATOM 0 HB1 ALA A 122 48.365 82.135 57.214 1.00 1.35 H new ATOM 0 HB2 ALA A 122 48.520 81.453 58.851 1.00 1.35 H new ATOM 0 HB3 ALA A 122 49.211 80.588 57.457 1.00 1.35 H new ATOM 1901 N ARG A 123 45.641 80.112 55.667 1.00 0.75 N ATOM 1902 CA ARG A 123 45.377 79.789 54.233 1.00 0.69 C ATOM 1903 C ARG A 123 45.062 81.074 53.462 1.00 0.66 C ATOM 1904 O ARG A 123 43.913 81.435 53.285 1.00 0.84 O ATOM 1905 CB ARG A 123 44.185 78.821 54.133 1.00 0.91 C ATOM 1906 CG ARG A 123 44.598 77.552 53.374 1.00 1.06 C ATOM 1907 CD ARG A 123 43.481 77.130 52.410 1.00 1.11 C ATOM 1908 NE ARG A 123 43.257 75.646 52.505 1.00 1.78 N ATOM 1909 CZ ARG A 123 43.022 75.041 53.651 1.00 2.18 C ATOM 1910 NH1 ARG A 123 42.780 75.718 54.749 1.00 2.35 N ATOM 1911 NH2 ARG A 123 42.967 73.737 53.682 1.00 3.06 N ATOM 0 H ARG A 123 44.811 80.307 56.226 1.00 0.75 H new ATOM 0 HA ARG A 123 46.261 79.320 53.802 1.00 0.69 H new ATOM 0 HB2 ARG A 123 43.835 78.559 55.131 1.00 0.91 H new ATOM 0 HB3 ARG A 123 43.354 79.306 53.621 1.00 0.91 H new ATOM 0 HG2 ARG A 123 45.519 77.733 52.820 1.00 1.06 H new ATOM 0 HG3 ARG A 123 44.804 76.747 54.080 1.00 1.06 H new ATOM 0 HD2 ARG A 123 42.561 77.662 52.651 1.00 1.11 H new ATOM 0 HD3 ARG A 123 43.748 77.402 51.389 1.00 1.11 H new ATOM 0 HE ARG A 123 43.288 75.088 51.652 1.00 1.78 H new ATOM 0 HH11 ARG A 123 42.771 76.738 54.728 1.00 2.35 H new ATOM 0 HH12 ARG A 123 42.601 75.224 55.623 1.00 2.35 H new ATOM 0 HH21 ARG A 123 43.105 73.200 52.826 1.00 3.06 H new ATOM 0 HH22 ARG A 123 42.786 73.255 54.562 1.00 3.06 H new ATOM 1925 N THR A 124 46.074 81.757 52.993 1.00 0.53 N ATOM 1926 CA THR A 124 45.837 83.009 52.218 1.00 0.58 C ATOM 1927 C THR A 124 45.233 82.646 50.858 1.00 0.57 C ATOM 1928 O THR A 124 44.479 83.406 50.282 1.00 0.73 O ATOM 1929 CB THR A 124 47.162 83.748 52.010 1.00 0.61 C ATOM 1930 OG1 THR A 124 48.214 82.805 51.861 1.00 0.67 O ATOM 1931 CG2 THR A 124 47.445 84.644 53.217 1.00 0.74 C ATOM 0 H THR A 124 47.054 81.501 53.114 1.00 0.53 H new ATOM 0 HA THR A 124 45.152 83.655 52.766 1.00 0.58 H new ATOM 0 HB THR A 124 47.096 84.362 51.112 1.00 0.61 H new ATOM 0 HG1 THR A 124 47.963 82.139 51.187 1.00 0.67 H new ATOM 0 HG21 THR A 124 48.388 85.169 53.067 1.00 0.74 H new ATOM 0 HG22 THR A 124 46.639 85.370 53.328 1.00 0.74 H new ATOM 0 HG23 THR A 124 47.509 84.032 54.117 1.00 0.74 H new ATOM 1939 N VAL A 125 45.557 81.482 50.348 1.00 0.48 N ATOM 1940 CA VAL A 125 45.003 81.051 49.031 1.00 0.52 C ATOM 1941 C VAL A 125 43.957 79.954 49.259 1.00 0.65 C ATOM 1942 O VAL A 125 44.293 78.822 49.553 1.00 0.89 O ATOM 1943 CB VAL A 125 46.140 80.504 48.153 1.00 0.51 C ATOM 1944 CG1 VAL A 125 45.585 80.028 46.808 1.00 0.60 C ATOM 1945 CG2 VAL A 125 47.168 81.606 47.902 1.00 0.52 C ATOM 0 H VAL A 125 46.184 80.811 50.791 1.00 0.48 H new ATOM 0 HA VAL A 125 44.538 81.901 48.532 1.00 0.52 H new ATOM 0 HB VAL A 125 46.609 79.666 48.669 1.00 0.51 H new ATOM 0 HG11 VAL A 125 46.399 79.643 46.194 1.00 0.60 H new ATOM 0 HG12 VAL A 125 44.852 79.239 46.976 1.00 0.60 H new ATOM 0 HG13 VAL A 125 45.108 80.863 46.295 1.00 0.60 H new ATOM 0 HG21 VAL A 125 47.974 81.217 47.279 1.00 0.52 H new ATOM 0 HG22 VAL A 125 46.688 82.442 47.394 1.00 0.52 H new ATOM 0 HG23 VAL A 125 47.577 81.946 48.854 1.00 0.52 H new ATOM 1955 N GLU A 126 42.696 80.279 49.114 1.00 0.72 N ATOM 1956 CA GLU A 126 41.632 79.248 49.308 1.00 0.88 C ATOM 1957 C GLU A 126 41.699 78.247 48.153 1.00 0.87 C ATOM 1958 O GLU A 126 42.174 78.561 47.078 1.00 1.36 O ATOM 1959 CB GLU A 126 40.246 79.907 49.347 1.00 1.06 C ATOM 1960 CG GLU A 126 40.094 80.886 48.180 1.00 1.20 C ATOM 1961 CD GLU A 126 38.609 81.180 47.945 1.00 1.71 C ATOM 1962 OE1 GLU A 126 37.798 80.308 48.214 1.00 2.11 O ATOM 1963 OE2 GLU A 126 38.307 82.275 47.499 1.00 2.41 O ATOM 0 H GLU A 126 42.359 81.210 48.871 1.00 0.72 H new ATOM 0 HA GLU A 126 41.794 78.735 50.256 1.00 0.88 H new ATOM 0 HB2 GLU A 126 39.470 79.143 49.294 1.00 1.06 H new ATOM 0 HB3 GLU A 126 40.112 80.433 50.292 1.00 1.06 H new ATOM 0 HG2 GLU A 126 40.628 81.811 48.396 1.00 1.20 H new ATOM 0 HG3 GLU A 126 40.539 80.465 47.278 1.00 1.20 H new ATOM 1970 N SER A 127 41.241 77.043 48.374 1.00 0.87 N ATOM 1971 CA SER A 127 41.288 76.006 47.301 1.00 0.84 C ATOM 1972 C SER A 127 40.458 76.445 46.091 1.00 0.83 C ATOM 1973 O SER A 127 40.663 75.966 44.993 1.00 1.35 O ATOM 1974 CB SER A 127 40.728 74.689 47.842 1.00 1.00 C ATOM 1975 OG SER A 127 41.376 74.369 49.066 1.00 1.64 O ATOM 0 H SER A 127 40.834 76.732 49.256 1.00 0.87 H new ATOM 0 HA SER A 127 42.324 75.873 46.990 1.00 0.84 H new ATOM 0 HB2 SER A 127 39.653 74.775 47.998 1.00 1.00 H new ATOM 0 HB3 SER A 127 40.882 73.890 47.116 1.00 1.00 H new ATOM 0 HG SER A 127 41.018 73.526 49.415 1.00 1.64 H new ATOM 1981 N ARG A 128 39.515 77.335 46.281 1.00 0.75 N ATOM 1982 CA ARG A 128 38.671 77.782 45.148 1.00 0.75 C ATOM 1983 C ARG A 128 39.488 78.640 44.188 1.00 0.67 C ATOM 1984 O ARG A 128 39.241 78.660 42.998 1.00 0.67 O ATOM 1985 CB ARG A 128 37.489 78.587 45.688 1.00 0.91 C ATOM 1986 CG ARG A 128 36.532 78.926 44.547 1.00 1.27 C ATOM 1987 CD ARG A 128 35.347 77.955 44.554 1.00 1.72 C ATOM 1988 NE ARG A 128 34.096 78.689 44.185 1.00 2.25 N ATOM 1989 CZ ARG A 128 32.904 78.166 44.398 1.00 2.94 C ATOM 1990 NH1 ARG A 128 32.760 76.979 44.941 1.00 3.38 N ATOM 1991 NH2 ARG A 128 31.841 78.845 44.062 1.00 3.61 N ATOM 0 H ARG A 128 39.299 77.768 47.179 1.00 0.75 H new ATOM 0 HA ARG A 128 38.303 76.910 44.607 1.00 0.75 H new ATOM 0 HB2 ARG A 128 36.967 78.015 46.455 1.00 0.91 H new ATOM 0 HB3 ARG A 128 37.846 79.502 46.160 1.00 0.91 H new ATOM 0 HG2 ARG A 128 36.175 79.950 44.653 1.00 1.27 H new ATOM 0 HG3 ARG A 128 37.055 78.868 43.593 1.00 1.27 H new ATOM 0 HD2 ARG A 128 35.525 77.142 43.850 1.00 1.72 H new ATOM 0 HD3 ARG A 128 35.239 77.504 45.540 1.00 1.72 H new ATOM 0 HE ARG A 128 34.167 79.613 43.760 1.00 2.25 H new ATOM 0 HH11 ARG A 128 33.582 76.438 45.209 1.00 3.38 H new ATOM 0 HH12 ARG A 128 31.826 76.598 45.095 1.00 3.38 H new ATOM 0 HH21 ARG A 128 31.938 79.769 43.640 1.00 3.61 H new ATOM 0 HH22 ARG A 128 30.913 78.452 44.221 1.00 3.61 H new ATOM 2005 N GLN A 129 40.454 79.344 44.699 1.00 0.74 N ATOM 2006 CA GLN A 129 41.298 80.203 43.830 1.00 0.77 C ATOM 2007 C GLN A 129 42.217 79.319 42.992 1.00 0.62 C ATOM 2008 O GLN A 129 42.316 79.479 41.791 1.00 0.57 O ATOM 2009 CB GLN A 129 42.134 81.152 44.692 1.00 0.96 C ATOM 2010 CG GLN A 129 41.252 82.302 45.180 1.00 0.99 C ATOM 2011 CD GLN A 129 42.132 83.454 45.669 1.00 1.51 C ATOM 2012 OE1 GLN A 129 42.874 83.306 46.620 1.00 2.18 O ATOM 2013 NE2 GLN A 129 42.079 84.604 45.056 1.00 2.09 N ATOM 0 H GLN A 129 40.697 79.361 45.689 1.00 0.74 H new ATOM 0 HA GLN A 129 40.661 80.794 43.172 1.00 0.77 H new ATOM 0 HB2 GLN A 129 42.554 80.615 45.542 1.00 0.96 H new ATOM 0 HB3 GLN A 129 42.973 81.542 44.115 1.00 0.96 H new ATOM 0 HG2 GLN A 129 40.604 82.644 44.373 1.00 0.99 H new ATOM 0 HG3 GLN A 129 40.604 81.959 45.986 1.00 0.99 H new ATOM 0 HE21 GLN A 129 41.456 84.728 44.258 1.00 2.09 H new ATOM 0 HE22 GLN A 129 42.660 85.379 45.375 1.00 2.09 H new ATOM 2022 N ALA A 130 42.882 78.381 43.617 1.00 0.60 N ATOM 2023 CA ALA A 130 43.788 77.473 42.858 1.00 0.51 C ATOM 2024 C ALA A 130 42.956 76.566 41.946 1.00 0.45 C ATOM 2025 O ALA A 130 43.456 76.035 40.973 1.00 0.43 O ATOM 2026 CB ALA A 130 44.596 76.618 43.835 1.00 0.59 C ATOM 0 H ALA A 130 42.835 78.206 44.621 1.00 0.60 H new ATOM 0 HA ALA A 130 44.471 78.068 42.251 1.00 0.51 H new ATOM 0 HB1 ALA A 130 45.258 75.955 43.277 1.00 0.59 H new ATOM 0 HB2 ALA A 130 45.190 77.266 44.480 1.00 0.59 H new ATOM 0 HB3 ALA A 130 43.917 76.023 44.446 1.00 0.59 H new ATOM 2032 N GLN A 131 41.692 76.386 42.249 1.00 0.49 N ATOM 2033 CA GLN A 131 40.835 75.527 41.400 1.00 0.54 C ATOM 2034 C GLN A 131 40.363 76.332 40.188 1.00 0.54 C ATOM 2035 O GLN A 131 40.127 75.788 39.126 1.00 0.58 O ATOM 2036 CB GLN A 131 39.622 75.056 42.205 1.00 0.68 C ATOM 2037 CG GLN A 131 39.951 73.737 42.906 1.00 0.78 C ATOM 2038 CD GLN A 131 38.673 72.912 43.068 1.00 1.26 C ATOM 2039 OE1 GLN A 131 37.755 73.032 42.281 1.00 1.83 O ATOM 2040 NE2 GLN A 131 38.573 72.074 44.064 1.00 1.82 N ATOM 0 H GLN A 131 41.223 76.803 43.053 1.00 0.49 H new ATOM 0 HA GLN A 131 41.403 74.659 41.066 1.00 0.54 H new ATOM 0 HB2 GLN A 131 39.346 75.811 42.941 1.00 0.68 H new ATOM 0 HB3 GLN A 131 38.764 74.925 41.546 1.00 0.68 H new ATOM 0 HG2 GLN A 131 40.686 73.178 42.326 1.00 0.78 H new ATOM 0 HG3 GLN A 131 40.396 73.933 43.881 1.00 0.78 H new ATOM 0 HE21 GLN A 131 39.343 71.973 44.725 1.00 1.82 H new ATOM 0 HE22 GLN A 131 37.724 71.520 44.181 1.00 1.82 H new ATOM 2049 N ASP A 132 40.216 77.626 40.345 1.00 0.58 N ATOM 2050 CA ASP A 132 39.750 78.474 39.220 1.00 0.66 C ATOM 2051 C ASP A 132 40.923 78.851 38.309 1.00 0.60 C ATOM 2052 O ASP A 132 40.730 79.178 37.153 1.00 0.70 O ATOM 2053 CB ASP A 132 39.108 79.745 39.777 1.00 0.79 C ATOM 2054 CG ASP A 132 37.627 79.487 40.060 1.00 0.93 C ATOM 2055 OD1 ASP A 132 37.333 78.504 40.720 1.00 1.27 O ATOM 2056 OD2 ASP A 132 36.812 80.276 39.611 1.00 1.43 O ATOM 0 H ASP A 132 40.402 78.128 41.213 1.00 0.58 H new ATOM 0 HA ASP A 132 39.020 77.914 38.636 1.00 0.66 H new ATOM 0 HB2 ASP A 132 39.616 80.051 40.692 1.00 0.79 H new ATOM 0 HB3 ASP A 132 39.216 80.562 39.064 1.00 0.79 H new ATOM 2061 N LEU A 133 42.132 78.818 38.816 1.00 0.50 N ATOM 2062 CA LEU A 133 43.307 79.186 37.971 1.00 0.50 C ATOM 2063 C LEU A 133 43.859 77.939 37.277 1.00 0.47 C ATOM 2064 O LEU A 133 44.132 77.949 36.092 1.00 0.68 O ATOM 2065 CB LEU A 133 44.398 79.797 38.852 1.00 0.53 C ATOM 2066 CG LEU A 133 45.509 80.369 37.968 1.00 0.61 C ATOM 2067 CD1 LEU A 133 45.274 81.865 37.753 1.00 1.40 C ATOM 2068 CD2 LEU A 133 46.862 80.159 38.650 1.00 1.28 C ATOM 0 H LEU A 133 42.354 78.553 39.776 1.00 0.50 H new ATOM 0 HA LEU A 133 42.993 79.910 37.219 1.00 0.50 H new ATOM 0 HB2 LEU A 133 43.976 80.583 39.478 1.00 0.53 H new ATOM 0 HB3 LEU A 133 44.806 79.040 39.522 1.00 0.53 H new ATOM 0 HG LEU A 133 45.503 79.859 37.005 1.00 0.61 H new ATOM 0 HD11 LEU A 133 46.066 82.271 37.123 1.00 1.40 H new ATOM 0 HD12 LEU A 133 44.310 82.016 37.266 1.00 1.40 H new ATOM 0 HD13 LEU A 133 45.278 82.376 38.716 1.00 1.40 H new ATOM 0 HD21 LEU A 133 47.654 80.566 38.021 1.00 1.28 H new ATOM 0 HD22 LEU A 133 46.867 80.668 39.614 1.00 1.28 H new ATOM 0 HD23 LEU A 133 47.031 79.093 38.802 1.00 1.28 H new ATOM 2080 N ALA A 134 44.031 76.872 38.012 1.00 0.37 N ATOM 2081 CA ALA A 134 44.575 75.621 37.408 1.00 0.36 C ATOM 2082 C ALA A 134 43.519 74.976 36.505 1.00 0.40 C ATOM 2083 O ALA A 134 43.797 74.629 35.373 1.00 0.42 O ATOM 2084 CB ALA A 134 44.967 74.644 38.520 1.00 0.36 C ATOM 0 H ALA A 134 43.817 76.813 39.008 1.00 0.37 H new ATOM 0 HA ALA A 134 45.454 75.864 36.811 1.00 0.36 H new ATOM 0 HB1 ALA A 134 45.364 73.730 38.078 1.00 0.36 H new ATOM 0 HB2 ALA A 134 45.727 75.101 39.154 1.00 0.36 H new ATOM 0 HB3 ALA A 134 44.089 74.405 39.120 1.00 0.36 H new ATOM 2090 N ARG A 135 42.312 74.806 36.993 1.00 0.49 N ATOM 2091 CA ARG A 135 41.242 74.174 36.162 1.00 0.56 C ATOM 2092 C ARG A 135 41.054 74.949 34.857 1.00 0.58 C ATOM 2093 O ARG A 135 40.673 74.395 33.843 1.00 0.62 O ATOM 2094 CB ARG A 135 39.925 74.158 36.941 1.00 0.68 C ATOM 2095 CG ARG A 135 38.895 73.314 36.188 1.00 1.15 C ATOM 2096 CD ARG A 135 37.600 73.243 36.999 1.00 1.30 C ATOM 2097 NE ARG A 135 36.642 72.309 36.330 1.00 1.83 N ATOM 2098 CZ ARG A 135 35.365 72.283 36.658 1.00 2.39 C ATOM 2099 NH1 ARG A 135 34.876 73.075 37.585 1.00 2.73 N ATOM 2100 NH2 ARG A 135 34.568 71.449 36.048 1.00 3.13 N ATOM 0 H ARG A 135 42.024 75.079 37.933 1.00 0.49 H new ATOM 0 HA ARG A 135 41.540 73.152 35.927 1.00 0.56 H new ATOM 0 HB2 ARG A 135 40.086 73.750 37.939 1.00 0.68 H new ATOM 0 HB3 ARG A 135 39.554 75.175 37.069 1.00 0.68 H new ATOM 0 HG2 ARG A 135 38.699 73.749 35.208 1.00 1.15 H new ATOM 0 HG3 ARG A 135 39.286 72.311 36.019 1.00 1.15 H new ATOM 0 HD2 ARG A 135 37.811 72.900 38.012 1.00 1.30 H new ATOM 0 HD3 ARG A 135 37.157 74.235 37.084 1.00 1.30 H new ATOM 0 HE ARG A 135 36.984 71.679 35.605 1.00 1.83 H new ATOM 0 HH11 ARG A 135 35.488 73.731 38.070 1.00 2.73 H new ATOM 0 HH12 ARG A 135 33.884 73.034 37.819 1.00 2.73 H new ATOM 0 HH21 ARG A 135 34.935 70.828 35.327 1.00 3.13 H new ATOM 0 HH22 ARG A 135 33.578 71.419 36.292 1.00 3.13 H new ATOM 2114 N SER A 136 41.324 76.223 34.882 1.00 0.65 N ATOM 2115 CA SER A 136 41.174 77.054 33.657 1.00 0.73 C ATOM 2116 C SER A 136 42.148 76.559 32.587 1.00 0.65 C ATOM 2117 O SER A 136 41.766 76.281 31.466 1.00 0.73 O ATOM 2118 CB SER A 136 41.481 78.514 33.989 1.00 0.88 C ATOM 2119 OG SER A 136 40.712 79.360 33.145 1.00 1.34 O ATOM 0 H SER A 136 41.645 76.729 35.707 1.00 0.65 H new ATOM 0 HA SER A 136 40.152 76.975 33.286 1.00 0.73 H new ATOM 0 HB2 SER A 136 41.250 78.717 35.035 1.00 0.88 H new ATOM 0 HB3 SER A 136 42.544 78.714 33.853 1.00 0.88 H new ATOM 0 HG SER A 136 40.906 80.297 33.357 1.00 1.34 H new ATOM 2125 N TYR A 137 43.405 76.445 32.932 1.00 0.59 N ATOM 2126 CA TYR A 137 44.419 75.963 31.950 1.00 0.63 C ATOM 2127 C TYR A 137 44.194 74.476 31.645 1.00 0.57 C ATOM 2128 O TYR A 137 44.712 73.956 30.675 1.00 0.68 O ATOM 2129 CB TYR A 137 45.821 76.150 32.537 1.00 0.70 C ATOM 2130 CG TYR A 137 46.023 77.598 32.916 1.00 0.74 C ATOM 2131 CD1 TYR A 137 45.821 78.607 31.966 1.00 1.23 C ATOM 2132 CD2 TYR A 137 46.415 77.932 34.218 1.00 1.15 C ATOM 2133 CE1 TYR A 137 46.010 79.948 32.317 1.00 1.24 C ATOM 2134 CE2 TYR A 137 46.604 79.274 34.570 1.00 1.33 C ATOM 2135 CZ TYR A 137 46.402 80.282 33.619 1.00 1.01 C ATOM 2136 OH TYR A 137 46.588 81.605 33.965 1.00 1.20 O ATOM 0 H TYR A 137 43.773 76.667 33.857 1.00 0.59 H new ATOM 0 HA TYR A 137 44.322 76.536 31.028 1.00 0.63 H new ATOM 0 HB2 TYR A 137 45.947 75.513 33.413 1.00 0.70 H new ATOM 0 HB3 TYR A 137 46.574 75.845 31.810 1.00 0.70 H new ATOM 0 HD1 TYR A 137 45.519 78.350 30.962 1.00 1.23 H new ATOM 0 HD2 TYR A 137 46.572 77.154 34.951 1.00 1.15 H new ATOM 0 HE1 TYR A 137 45.854 80.725 31.584 1.00 1.24 H new ATOM 0 HE2 TYR A 137 46.905 79.532 35.575 1.00 1.33 H new ATOM 0 HH TYR A 137 47.547 81.794 34.032 1.00 1.20 H new ATOM 2146 N GLY A 138 43.438 73.785 32.468 1.00 0.51 N ATOM 2147 CA GLY A 138 43.199 72.333 32.225 1.00 0.55 C ATOM 2148 C GLY A 138 44.365 71.542 32.811 1.00 0.50 C ATOM 2149 O GLY A 138 44.844 70.591 32.222 1.00 0.63 O ATOM 0 H GLY A 138 42.979 74.167 33.295 1.00 0.51 H new ATOM 0 HA2 GLY A 138 42.261 72.022 32.686 1.00 0.55 H new ATOM 0 HA3 GLY A 138 43.109 72.138 31.156 1.00 0.55 H new ATOM 2153 N ILE A 139 44.830 71.942 33.965 1.00 0.40 N ATOM 2154 CA ILE A 139 45.975 71.238 34.606 1.00 0.38 C ATOM 2155 C ILE A 139 45.557 70.742 36.007 1.00 0.35 C ATOM 2156 O ILE A 139 44.763 71.388 36.661 1.00 0.34 O ATOM 2157 CB ILE A 139 47.147 72.212 34.721 1.00 0.37 C ATOM 2158 CG1 ILE A 139 46.700 73.455 35.501 1.00 0.35 C ATOM 2159 CG2 ILE A 139 47.592 72.624 33.316 1.00 0.44 C ATOM 2160 CD1 ILE A 139 47.882 74.410 35.679 1.00 0.38 C ATOM 0 H ILE A 139 44.461 72.733 34.494 1.00 0.40 H new ATOM 0 HA ILE A 139 46.272 70.379 34.005 1.00 0.38 H new ATOM 0 HB ILE A 139 47.975 71.735 35.244 1.00 0.37 H new ATOM 0 HG12 ILE A 139 45.892 73.958 34.970 1.00 0.35 H new ATOM 0 HG13 ILE A 139 46.308 73.162 36.475 1.00 0.35 H new ATOM 0 HG21 ILE A 139 48.428 73.319 33.388 1.00 0.44 H new ATOM 0 HG22 ILE A 139 47.902 71.740 32.759 1.00 0.44 H new ATOM 0 HG23 ILE A 139 46.763 73.107 32.799 1.00 0.44 H new ATOM 0 HD11 ILE A 139 47.558 75.291 36.234 1.00 0.38 H new ATOM 0 HD12 ILE A 139 48.677 73.907 36.229 1.00 0.38 H new ATOM 0 HD13 ILE A 139 48.255 74.714 34.701 1.00 0.38 H new ATOM 2172 N PRO A 140 46.084 69.604 36.434 1.00 0.36 N ATOM 2173 CA PRO A 140 45.735 69.039 37.754 1.00 0.37 C ATOM 2174 C PRO A 140 46.261 69.922 38.895 1.00 0.33 C ATOM 2175 O PRO A 140 47.333 70.495 38.814 1.00 0.34 O ATOM 2176 CB PRO A 140 46.420 67.664 37.789 1.00 0.44 C ATOM 2177 CG PRO A 140 47.274 67.528 36.504 1.00 0.46 C ATOM 2178 CD PRO A 140 47.050 68.789 35.658 1.00 0.42 C ATOM 0 HA PRO A 140 44.655 68.973 37.888 1.00 0.37 H new ATOM 0 HB2 PRO A 140 47.047 67.572 38.676 1.00 0.44 H new ATOM 0 HB3 PRO A 140 45.677 66.868 37.840 1.00 0.44 H new ATOM 0 HG2 PRO A 140 48.329 67.419 36.756 1.00 0.46 H new ATOM 0 HG3 PRO A 140 46.986 66.637 35.946 1.00 0.46 H new ATOM 0 HD2 PRO A 140 47.984 69.329 35.499 1.00 0.42 H new ATOM 0 HD3 PRO A 140 46.654 68.539 34.674 1.00 0.42 H new ATOM 2186 N TYR A 141 45.515 70.003 39.969 1.00 0.32 N ATOM 2187 CA TYR A 141 45.952 70.809 41.147 1.00 0.30 C ATOM 2188 C TYR A 141 46.156 69.850 42.322 1.00 0.32 C ATOM 2189 O TYR A 141 45.335 68.986 42.572 1.00 0.51 O ATOM 2190 CB TYR A 141 44.876 71.845 41.498 1.00 0.32 C ATOM 2191 CG TYR A 141 45.332 72.696 42.668 1.00 0.35 C ATOM 2192 CD1 TYR A 141 46.583 73.329 42.635 1.00 0.79 C ATOM 2193 CD2 TYR A 141 44.501 72.851 43.786 1.00 0.87 C ATOM 2194 CE1 TYR A 141 47.000 74.115 43.719 1.00 0.84 C ATOM 2195 CE2 TYR A 141 44.920 73.637 44.868 1.00 0.92 C ATOM 2196 CZ TYR A 141 46.168 74.268 44.834 1.00 0.51 C ATOM 2197 OH TYR A 141 46.578 75.038 45.903 1.00 0.62 O ATOM 0 H TYR A 141 44.613 69.540 40.079 1.00 0.32 H new ATOM 0 HA TYR A 141 46.879 71.338 40.924 1.00 0.30 H new ATOM 0 HB2 TYR A 141 44.675 72.479 40.634 1.00 0.32 H new ATOM 0 HB3 TYR A 141 43.942 71.341 41.747 1.00 0.32 H new ATOM 0 HD1 TYR A 141 47.225 73.211 41.775 1.00 0.79 H new ATOM 0 HD2 TYR A 141 43.537 72.364 43.814 1.00 0.87 H new ATOM 0 HE1 TYR A 141 47.963 74.602 43.693 1.00 0.84 H new ATOM 0 HE2 TYR A 141 44.279 73.756 45.729 1.00 0.92 H new ATOM 0 HH TYR A 141 47.510 75.310 45.772 1.00 0.62 H new ATOM 2207 N ILE A 142 47.248 69.977 43.030 1.00 0.27 N ATOM 2208 CA ILE A 142 47.513 69.049 44.175 1.00 0.29 C ATOM 2209 C ILE A 142 48.025 69.863 45.369 1.00 0.32 C ATOM 2210 O ILE A 142 48.169 71.066 45.287 1.00 0.39 O ATOM 2211 CB ILE A 142 48.581 67.997 43.781 1.00 0.31 C ATOM 2212 CG1 ILE A 142 48.482 67.641 42.285 1.00 0.32 C ATOM 2213 CG2 ILE A 142 48.384 66.718 44.611 1.00 0.34 C ATOM 2214 CD1 ILE A 142 49.689 66.791 41.886 1.00 0.36 C ATOM 0 H ILE A 142 47.968 70.681 42.867 1.00 0.27 H new ATOM 0 HA ILE A 142 46.589 68.534 44.437 1.00 0.29 H new ATOM 0 HB ILE A 142 49.564 68.425 43.978 1.00 0.31 H new ATOM 0 HG12 ILE A 142 47.559 67.096 42.090 1.00 0.32 H new ATOM 0 HG13 ILE A 142 48.449 68.550 41.685 1.00 0.32 H new ATOM 0 HG21 ILE A 142 49.137 65.982 44.330 1.00 0.34 H new ATOM 0 HG22 ILE A 142 48.484 66.953 45.671 1.00 0.34 H new ATOM 0 HG23 ILE A 142 47.391 66.311 44.422 1.00 0.34 H new ATOM 0 HD11 ILE A 142 49.622 66.538 40.828 1.00 0.36 H new ATOM 0 HD12 ILE A 142 50.605 67.353 42.067 1.00 0.36 H new ATOM 0 HD13 ILE A 142 49.701 65.876 42.478 1.00 0.36 H new ATOM 2226 N GLU A 143 48.307 69.214 46.472 1.00 0.34 N ATOM 2227 CA GLU A 143 48.824 69.937 47.671 1.00 0.39 C ATOM 2228 C GLU A 143 50.167 69.319 48.064 1.00 0.48 C ATOM 2229 O GLU A 143 50.464 68.198 47.696 1.00 0.99 O ATOM 2230 CB GLU A 143 47.832 69.794 48.827 1.00 0.56 C ATOM 2231 CG GLU A 143 46.849 70.967 48.806 1.00 1.01 C ATOM 2232 CD GLU A 143 45.769 70.748 49.866 1.00 1.31 C ATOM 2233 OE1 GLU A 143 45.392 69.606 50.073 1.00 1.87 O ATOM 2234 OE2 GLU A 143 45.336 71.726 50.453 1.00 1.88 O ATOM 0 H GLU A 143 48.200 68.207 46.592 1.00 0.34 H new ATOM 0 HA GLU A 143 48.950 70.996 47.445 1.00 0.39 H new ATOM 0 HB2 GLU A 143 47.291 68.851 48.741 1.00 0.56 H new ATOM 0 HB3 GLU A 143 48.366 69.770 49.777 1.00 0.56 H new ATOM 0 HG2 GLU A 143 47.377 71.901 48.998 1.00 1.01 H new ATOM 0 HG3 GLU A 143 46.393 71.055 47.820 1.00 1.01 H new ATOM 2241 N THR A 144 50.983 70.034 48.799 1.00 0.37 N ATOM 2242 CA THR A 144 52.309 69.475 49.198 1.00 0.42 C ATOM 2243 C THR A 144 52.836 70.186 50.448 1.00 0.35 C ATOM 2244 O THR A 144 52.605 71.365 50.658 1.00 0.36 O ATOM 2245 CB THR A 144 53.309 69.666 48.056 1.00 0.66 C ATOM 2246 OG1 THR A 144 53.101 70.937 47.456 1.00 1.09 O ATOM 2247 CG2 THR A 144 53.119 68.568 47.010 1.00 0.66 C ATOM 0 H THR A 144 50.788 70.976 49.138 1.00 0.37 H new ATOM 0 HA THR A 144 52.188 68.414 49.416 1.00 0.42 H new ATOM 0 HB THR A 144 54.323 69.610 48.451 1.00 0.66 H new ATOM 0 HG1 THR A 144 53.906 71.202 46.963 1.00 1.09 H new ATOM 0 HG21 THR A 144 53.834 68.710 46.200 1.00 0.66 H new ATOM 0 HG22 THR A 144 53.282 67.594 47.471 1.00 0.66 H new ATOM 0 HG23 THR A 144 52.105 68.616 46.612 1.00 0.66 H new ATOM 2255 N SER A 145 53.558 69.471 51.270 1.00 0.36 N ATOM 2256 CA SER A 145 54.128 70.074 52.507 1.00 0.37 C ATOM 2257 C SER A 145 55.405 69.315 52.876 1.00 0.43 C ATOM 2258 O SER A 145 55.356 68.207 53.373 1.00 0.86 O ATOM 2259 CB SER A 145 53.100 69.976 53.646 1.00 0.43 C ATOM 2260 OG SER A 145 53.764 69.958 54.908 1.00 0.92 O ATOM 0 H SER A 145 53.778 68.484 51.134 1.00 0.36 H new ATOM 0 HA SER A 145 54.365 71.125 52.342 1.00 0.37 H new ATOM 0 HB2 SER A 145 52.414 70.821 53.600 1.00 0.43 H new ATOM 0 HB3 SER A 145 52.501 69.073 53.529 1.00 0.43 H new ATOM 0 HG SER A 145 54.407 70.697 54.950 1.00 0.92 H new ATOM 2266 N ALA A 146 56.546 69.906 52.628 1.00 0.43 N ATOM 2267 CA ALA A 146 57.835 69.228 52.954 1.00 0.47 C ATOM 2268 C ALA A 146 57.979 69.052 54.473 1.00 0.49 C ATOM 2269 O ALA A 146 58.826 68.309 54.934 1.00 0.75 O ATOM 2270 CB ALA A 146 58.997 70.074 52.430 1.00 0.59 C ATOM 0 H ALA A 146 56.640 70.833 52.212 1.00 0.43 H new ATOM 0 HA ALA A 146 57.846 68.245 52.483 1.00 0.47 H new ATOM 0 HB1 ALA A 146 59.941 69.582 52.666 1.00 0.59 H new ATOM 0 HB2 ALA A 146 58.907 70.187 51.350 1.00 0.59 H new ATOM 0 HB3 ALA A 146 58.973 71.057 52.900 1.00 0.59 H new ATOM 2276 N LYS A 147 57.170 69.727 55.256 1.00 0.44 N ATOM 2277 CA LYS A 147 57.273 69.596 56.740 1.00 0.54 C ATOM 2278 C LYS A 147 56.791 68.216 57.207 1.00 0.50 C ATOM 2279 O LYS A 147 56.912 67.885 58.372 1.00 0.61 O ATOM 2280 CB LYS A 147 56.423 70.679 57.406 1.00 0.70 C ATOM 2281 CG LYS A 147 56.899 70.886 58.845 1.00 0.88 C ATOM 2282 CD LYS A 147 55.747 71.428 59.695 1.00 1.03 C ATOM 2283 CE LYS A 147 55.827 70.838 61.104 1.00 1.24 C ATOM 2284 NZ LYS A 147 56.746 71.665 61.937 1.00 1.79 N ATOM 0 H LYS A 147 56.443 70.363 54.928 1.00 0.44 H new ATOM 0 HA LYS A 147 58.319 69.711 57.023 1.00 0.54 H new ATOM 0 HB2 LYS A 147 56.501 71.612 56.848 1.00 0.70 H new ATOM 0 HB3 LYS A 147 55.372 70.389 57.397 1.00 0.70 H new ATOM 0 HG2 LYS A 147 57.257 69.944 59.259 1.00 0.88 H new ATOM 0 HG3 LYS A 147 57.737 71.582 58.865 1.00 0.88 H new ATOM 0 HD2 LYS A 147 55.797 72.516 59.742 1.00 1.03 H new ATOM 0 HD3 LYS A 147 54.792 71.172 59.236 1.00 1.03 H new ATOM 0 HE2 LYS A 147 54.835 70.811 61.555 1.00 1.24 H new ATOM 0 HE3 LYS A 147 56.185 69.810 61.059 1.00 1.24 H new ATOM 0 HZ1 LYS A 147 56.801 71.265 62.895 1.00 1.79 H new ATOM 0 HZ2 LYS A 147 57.694 71.669 61.509 1.00 1.79 H new ATOM 0 HZ3 LYS A 147 56.385 72.639 61.989 1.00 1.79 H new ATOM 2298 N THR A 148 56.234 67.416 56.329 1.00 0.47 N ATOM 2299 CA THR A 148 55.737 66.072 56.761 1.00 0.53 C ATOM 2300 C THR A 148 55.450 65.184 55.537 1.00 0.50 C ATOM 2301 O THR A 148 54.656 64.265 55.600 1.00 0.70 O ATOM 2302 CB THR A 148 54.459 66.264 57.598 1.00 0.59 C ATOM 2303 OG1 THR A 148 53.779 65.024 57.740 1.00 0.81 O ATOM 2304 CG2 THR A 148 53.537 67.284 56.920 1.00 0.62 C ATOM 0 H THR A 148 56.103 67.633 55.341 1.00 0.47 H new ATOM 0 HA THR A 148 56.499 65.576 57.362 1.00 0.53 H new ATOM 0 HB THR A 148 54.737 66.634 58.585 1.00 0.59 H new ATOM 0 HG1 THR A 148 53.532 64.683 56.855 1.00 0.81 H new ATOM 0 HG21 THR A 148 52.635 67.414 57.519 1.00 0.62 H new ATOM 0 HG22 THR A 148 54.054 68.239 56.831 1.00 0.62 H new ATOM 0 HG23 THR A 148 53.265 66.925 55.927 1.00 0.62 H new ATOM 2312 N ARG A 149 56.103 65.438 54.424 1.00 0.43 N ATOM 2313 CA ARG A 149 55.883 64.598 53.198 1.00 0.42 C ATOM 2314 C ARG A 149 54.384 64.487 52.885 1.00 0.39 C ATOM 2315 O ARG A 149 53.922 63.481 52.380 1.00 0.49 O ATOM 2316 CB ARG A 149 56.452 63.197 53.441 1.00 0.54 C ATOM 2317 CG ARG A 149 57.980 63.271 53.564 1.00 0.79 C ATOM 2318 CD ARG A 149 58.449 62.419 54.746 1.00 1.42 C ATOM 2319 NE ARG A 149 58.842 61.059 54.260 1.00 1.84 N ATOM 2320 CZ ARG A 149 59.011 60.053 55.096 1.00 2.35 C ATOM 2321 NH1 ARG A 149 58.843 60.198 56.390 1.00 2.69 N ATOM 2322 NH2 ARG A 149 59.355 58.884 54.626 1.00 3.11 N ATOM 0 H ARG A 149 56.780 66.192 54.312 1.00 0.43 H new ATOM 0 HA ARG A 149 56.386 65.067 52.352 1.00 0.42 H new ATOM 0 HB2 ARG A 149 56.025 62.774 54.350 1.00 0.54 H new ATOM 0 HB3 ARG A 149 56.176 62.535 52.620 1.00 0.54 H new ATOM 0 HG2 ARG A 149 58.445 62.919 52.643 1.00 0.79 H new ATOM 0 HG3 ARG A 149 58.293 64.306 53.704 1.00 0.79 H new ATOM 0 HD2 ARG A 149 59.294 62.898 55.240 1.00 1.42 H new ATOM 0 HD3 ARG A 149 57.653 62.336 55.486 1.00 1.42 H new ATOM 0 HE ARG A 149 58.982 60.907 53.261 1.00 1.84 H new ATOM 0 HH11 ARG A 149 58.575 61.106 56.771 1.00 2.69 H new ATOM 0 HH12 ARG A 149 58.980 59.403 57.014 1.00 2.69 H new ATOM 0 HH21 ARG A 149 59.490 58.757 53.623 1.00 3.11 H new ATOM 0 HH22 ARG A 149 59.489 58.098 55.262 1.00 3.11 H new ATOM 2336 N GLN A 150 53.627 65.509 53.193 1.00 0.32 N ATOM 2337 CA GLN A 150 52.158 65.466 52.929 1.00 0.37 C ATOM 2338 C GLN A 150 51.861 66.008 51.530 1.00 0.37 C ATOM 2339 O GLN A 150 51.951 67.197 51.285 1.00 0.42 O ATOM 2340 CB GLN A 150 51.431 66.324 53.966 1.00 0.43 C ATOM 2341 CG GLN A 150 49.958 65.917 54.025 1.00 0.50 C ATOM 2342 CD GLN A 150 49.760 64.867 55.121 1.00 1.40 C ATOM 2343 OE1 GLN A 150 50.681 64.157 55.472 1.00 2.20 O ATOM 2344 NE2 GLN A 150 48.588 64.739 55.680 1.00 2.12 N ATOM 0 H GLN A 150 53.964 66.373 53.617 1.00 0.32 H new ATOM 0 HA GLN A 150 51.814 64.434 52.995 1.00 0.37 H new ATOM 0 HB2 GLN A 150 51.893 66.199 54.945 1.00 0.43 H new ATOM 0 HB3 GLN A 150 51.517 67.379 53.705 1.00 0.43 H new ATOM 0 HG2 GLN A 150 49.337 66.790 54.227 1.00 0.50 H new ATOM 0 HG3 GLN A 150 49.642 65.516 53.062 1.00 0.50 H new ATOM 0 HE21 GLN A 150 47.815 65.335 55.385 1.00 2.12 H new ATOM 0 HE22 GLN A 150 48.445 64.043 56.412 1.00 2.12 H new ATOM 2353 N GLY A 151 51.494 65.146 50.614 1.00 0.38 N ATOM 2354 CA GLY A 151 51.175 65.607 49.230 1.00 0.41 C ATOM 2355 C GLY A 151 52.371 65.365 48.304 1.00 0.36 C ATOM 2356 O GLY A 151 52.216 65.235 47.106 1.00 0.39 O ATOM 0 H GLY A 151 51.402 64.142 50.767 1.00 0.38 H new ATOM 0 HA2 GLY A 151 50.301 65.075 48.854 1.00 0.41 H new ATOM 0 HA3 GLY A 151 50.923 66.667 49.241 1.00 0.41 H new ATOM 2360 N VAL A 152 53.565 65.313 48.847 1.00 0.33 N ATOM 2361 CA VAL A 152 54.781 65.090 48.005 1.00 0.32 C ATOM 2362 C VAL A 152 54.601 63.852 47.114 1.00 0.31 C ATOM 2363 O VAL A 152 55.106 63.793 46.009 1.00 0.32 O ATOM 2364 CB VAL A 152 55.986 64.889 48.916 1.00 0.32 C ATOM 2365 CG1 VAL A 152 57.260 64.719 48.081 1.00 0.37 C ATOM 2366 CG2 VAL A 152 56.145 66.101 49.835 1.00 0.36 C ATOM 0 H VAL A 152 53.749 65.416 49.845 1.00 0.33 H new ATOM 0 HA VAL A 152 54.935 65.959 47.365 1.00 0.32 H new ATOM 0 HB VAL A 152 55.827 63.991 49.514 1.00 0.32 H new ATOM 0 HG11 VAL A 152 58.113 64.576 48.744 1.00 0.37 H new ATOM 0 HG12 VAL A 152 57.156 63.850 47.431 1.00 0.37 H new ATOM 0 HG13 VAL A 152 57.418 65.610 47.473 1.00 0.37 H new ATOM 0 HG21 VAL A 152 57.007 65.954 50.485 1.00 0.36 H new ATOM 0 HG22 VAL A 152 56.293 66.997 49.233 1.00 0.36 H new ATOM 0 HG23 VAL A 152 55.248 66.217 50.443 1.00 0.36 H new ATOM 2376 N GLU A 153 53.899 62.863 47.599 1.00 0.32 N ATOM 2377 CA GLU A 153 53.693 61.617 46.801 1.00 0.35 C ATOM 2378 C GLU A 153 52.655 61.854 45.699 1.00 0.28 C ATOM 2379 O GLU A 153 52.744 61.288 44.628 1.00 0.35 O ATOM 2380 CB GLU A 153 53.199 60.497 47.722 1.00 0.49 C ATOM 2381 CG GLU A 153 54.124 60.382 48.936 1.00 0.55 C ATOM 2382 CD GLU A 153 54.101 58.946 49.463 1.00 1.08 C ATOM 2383 OE1 GLU A 153 54.179 58.038 48.653 1.00 1.57 O ATOM 2384 OE2 GLU A 153 54.007 58.779 50.668 1.00 1.69 O ATOM 0 H GLU A 153 53.457 62.864 48.518 1.00 0.32 H new ATOM 0 HA GLU A 153 54.641 61.334 46.343 1.00 0.35 H new ATOM 0 HB2 GLU A 153 52.180 60.704 48.048 1.00 0.49 H new ATOM 0 HB3 GLU A 153 53.175 59.552 47.180 1.00 0.49 H new ATOM 0 HG2 GLU A 153 55.140 60.663 48.660 1.00 0.55 H new ATOM 0 HG3 GLU A 153 53.804 61.072 49.717 1.00 0.55 H new ATOM 2391 N ASP A 154 51.663 62.667 45.961 1.00 0.33 N ATOM 2392 CA ASP A 154 50.607 62.924 44.944 1.00 0.33 C ATOM 2393 C ASP A 154 51.155 63.787 43.803 1.00 0.26 C ATOM 2394 O ASP A 154 50.668 63.733 42.690 1.00 0.29 O ATOM 2395 CB ASP A 154 49.430 63.644 45.605 1.00 0.47 C ATOM 2396 CG ASP A 154 48.445 62.612 46.155 1.00 1.04 C ATOM 2397 OD1 ASP A 154 48.897 61.578 46.619 1.00 1.90 O ATOM 2398 OD2 ASP A 154 47.254 62.872 46.103 1.00 1.51 O ATOM 0 H ASP A 154 51.542 63.165 46.843 1.00 0.33 H new ATOM 0 HA ASP A 154 50.277 61.970 44.533 1.00 0.33 H new ATOM 0 HB2 ASP A 154 49.788 64.286 46.410 1.00 0.47 H new ATOM 0 HB3 ASP A 154 48.931 64.289 44.881 1.00 0.47 H new ATOM 2403 N ALA A 155 52.154 64.588 44.072 1.00 0.28 N ATOM 2404 CA ALA A 155 52.725 65.465 43.005 1.00 0.33 C ATOM 2405 C ALA A 155 53.682 64.662 42.124 1.00 0.28 C ATOM 2406 O ALA A 155 53.519 64.588 40.921 1.00 0.30 O ATOM 2407 CB ALA A 155 53.484 66.624 43.653 1.00 0.45 C ATOM 0 H ALA A 155 52.600 64.673 44.986 1.00 0.28 H new ATOM 0 HA ALA A 155 51.913 65.853 42.390 1.00 0.33 H new ATOM 0 HB1 ALA A 155 53.901 67.265 42.876 1.00 0.45 H new ATOM 0 HB2 ALA A 155 52.801 67.204 44.274 1.00 0.45 H new ATOM 0 HB3 ALA A 155 54.291 66.230 44.271 1.00 0.45 H new ATOM 2413 N PHE A 156 54.683 64.072 42.717 1.00 0.28 N ATOM 2414 CA PHE A 156 55.677 63.277 41.931 1.00 0.29 C ATOM 2415 C PHE A 156 54.979 62.148 41.160 1.00 0.27 C ATOM 2416 O PHE A 156 55.291 61.890 40.012 1.00 0.36 O ATOM 2417 CB PHE A 156 56.702 62.669 42.892 1.00 0.34 C ATOM 2418 CG PHE A 156 57.823 63.653 43.137 1.00 0.35 C ATOM 2419 CD1 PHE A 156 57.534 64.961 43.551 1.00 1.04 C ATOM 2420 CD2 PHE A 156 59.153 63.256 42.953 1.00 1.21 C ATOM 2421 CE1 PHE A 156 58.575 65.869 43.779 1.00 0.98 C ATOM 2422 CE2 PHE A 156 60.193 64.164 43.181 1.00 1.34 C ATOM 2423 CZ PHE A 156 59.905 65.470 43.594 1.00 0.57 C ATOM 0 H PHE A 156 54.859 64.105 43.721 1.00 0.28 H new ATOM 0 HA PHE A 156 56.170 63.937 41.217 1.00 0.29 H new ATOM 0 HB2 PHE A 156 56.221 62.410 43.835 1.00 0.34 H new ATOM 0 HB3 PHE A 156 57.102 61.745 42.474 1.00 0.34 H new ATOM 0 HD1 PHE A 156 56.508 65.268 43.694 1.00 1.04 H new ATOM 0 HD2 PHE A 156 59.376 62.248 42.635 1.00 1.21 H new ATOM 0 HE1 PHE A 156 58.353 66.877 44.097 1.00 0.98 H new ATOM 0 HE2 PHE A 156 61.219 63.857 43.038 1.00 1.34 H new ATOM 0 HZ PHE A 156 60.708 66.170 43.770 1.00 0.57 H new ATOM 2433 N TYR A 157 54.051 61.467 41.784 1.00 0.33 N ATOM 2434 CA TYR A 157 53.346 60.342 41.094 1.00 0.34 C ATOM 2435 C TYR A 157 52.499 60.877 39.936 1.00 0.33 C ATOM 2436 O TYR A 157 52.658 60.466 38.802 1.00 0.33 O ATOM 2437 CB TYR A 157 52.441 59.616 42.090 1.00 0.40 C ATOM 2438 CG TYR A 157 53.259 58.630 42.891 1.00 0.45 C ATOM 2439 CD1 TYR A 157 54.370 59.070 43.620 1.00 0.75 C ATOM 2440 CD2 TYR A 157 52.906 57.275 42.902 1.00 1.04 C ATOM 2441 CE1 TYR A 157 55.128 58.155 44.361 1.00 0.76 C ATOM 2442 CE2 TYR A 157 53.664 56.360 43.643 1.00 1.15 C ATOM 2443 CZ TYR A 157 54.775 56.800 44.373 1.00 0.67 C ATOM 2444 OH TYR A 157 55.522 55.899 45.103 1.00 0.80 O ATOM 0 H TYR A 157 53.750 61.641 42.743 1.00 0.33 H new ATOM 0 HA TYR A 157 54.090 59.650 40.700 1.00 0.34 H new ATOM 0 HB2 TYR A 157 51.965 60.336 42.756 1.00 0.40 H new ATOM 0 HB3 TYR A 157 51.643 59.096 41.560 1.00 0.40 H new ATOM 0 HD1 TYR A 157 54.643 60.115 43.611 1.00 0.75 H new ATOM 0 HD2 TYR A 157 52.049 56.936 42.339 1.00 1.04 H new ATOM 0 HE1 TYR A 157 55.985 58.495 44.923 1.00 0.76 H new ATOM 0 HE2 TYR A 157 53.392 55.315 43.651 1.00 1.15 H new ATOM 0 HH TYR A 157 55.141 55.002 45.004 1.00 0.80 H new ATOM 2454 N THR A 158 51.594 61.783 40.215 1.00 0.34 N ATOM 2455 CA THR A 158 50.722 62.344 39.134 1.00 0.37 C ATOM 2456 C THR A 158 51.581 62.944 38.012 1.00 0.33 C ATOM 2457 O THR A 158 51.135 63.078 36.887 1.00 0.37 O ATOM 2458 CB THR A 158 49.821 63.433 39.725 1.00 0.42 C ATOM 2459 OG1 THR A 158 49.167 62.925 40.880 1.00 0.45 O ATOM 2460 CG2 THR A 158 48.775 63.859 38.692 1.00 0.47 C ATOM 0 H THR A 158 51.421 62.160 41.147 1.00 0.34 H new ATOM 0 HA THR A 158 50.112 61.542 38.719 1.00 0.37 H new ATOM 0 HB THR A 158 50.428 64.297 39.996 1.00 0.42 H new ATOM 0 HG1 THR A 158 49.452 63.434 41.668 1.00 0.45 H new ATOM 0 HG21 THR A 158 48.137 64.634 39.118 1.00 0.47 H new ATOM 0 HG22 THR A 158 49.276 64.248 37.806 1.00 0.47 H new ATOM 0 HG23 THR A 158 48.165 62.999 38.415 1.00 0.47 H new ATOM 2468 N LEU A 159 52.805 63.306 38.308 1.00 0.31 N ATOM 2469 CA LEU A 159 53.688 63.897 37.260 1.00 0.32 C ATOM 2470 C LEU A 159 54.079 62.812 36.250 1.00 0.30 C ATOM 2471 O LEU A 159 53.913 62.979 35.056 1.00 0.35 O ATOM 2472 CB LEU A 159 54.949 64.473 37.922 1.00 0.34 C ATOM 2473 CG LEU A 159 55.167 65.916 37.457 1.00 0.56 C ATOM 2474 CD1 LEU A 159 55.782 66.734 38.594 1.00 1.53 C ATOM 2475 CD2 LEU A 159 56.113 65.925 36.254 1.00 1.34 C ATOM 0 H LEU A 159 53.229 63.217 39.231 1.00 0.31 H new ATOM 0 HA LEU A 159 53.158 64.695 36.741 1.00 0.32 H new ATOM 0 HB2 LEU A 159 54.847 64.442 39.007 1.00 0.34 H new ATOM 0 HB3 LEU A 159 55.816 63.864 37.666 1.00 0.34 H new ATOM 0 HG LEU A 159 54.210 66.354 37.173 1.00 0.56 H new ATOM 0 HD11 LEU A 159 55.936 67.760 38.261 1.00 1.53 H new ATOM 0 HD12 LEU A 159 55.109 66.728 39.452 1.00 1.53 H new ATOM 0 HD13 LEU A 159 56.739 66.297 38.880 1.00 1.53 H new ATOM 0 HD21 LEU A 159 56.269 66.951 35.922 1.00 1.34 H new ATOM 0 HD22 LEU A 159 57.069 65.487 36.540 1.00 1.34 H new ATOM 0 HD23 LEU A 159 55.675 65.344 35.443 1.00 1.34 H new ATOM 2487 N VAL A 160 54.596 61.705 36.722 1.00 0.28 N ATOM 2488 CA VAL A 160 55.000 60.607 35.794 1.00 0.30 C ATOM 2489 C VAL A 160 53.765 60.046 35.080 1.00 0.32 C ATOM 2490 O VAL A 160 53.867 59.491 34.002 1.00 0.38 O ATOM 2491 CB VAL A 160 55.677 59.486 36.586 1.00 0.31 C ATOM 2492 CG1 VAL A 160 56.238 58.444 35.616 1.00 0.36 C ATOM 2493 CG2 VAL A 160 56.820 60.067 37.422 1.00 0.33 C ATOM 0 H VAL A 160 54.755 61.515 37.711 1.00 0.28 H new ATOM 0 HA VAL A 160 55.696 61.005 35.055 1.00 0.30 H new ATOM 0 HB VAL A 160 54.946 59.017 37.245 1.00 0.31 H new ATOM 0 HG11 VAL A 160 56.720 57.645 36.179 1.00 0.36 H new ATOM 0 HG12 VAL A 160 55.426 58.028 35.019 1.00 0.36 H new ATOM 0 HG13 VAL A 160 56.968 58.915 34.958 1.00 0.36 H new ATOM 0 HG21 VAL A 160 57.301 59.268 37.986 1.00 0.33 H new ATOM 0 HG22 VAL A 160 57.550 60.537 36.763 1.00 0.33 H new ATOM 0 HG23 VAL A 160 56.424 60.811 38.113 1.00 0.33 H new ATOM 2503 N ARG A 161 52.604 60.180 35.672 1.00 0.33 N ATOM 2504 CA ARG A 161 51.365 59.650 35.030 1.00 0.39 C ATOM 2505 C ARG A 161 50.949 60.564 33.874 1.00 0.41 C ATOM 2506 O ARG A 161 50.344 60.124 32.914 1.00 0.51 O ATOM 2507 CB ARG A 161 50.239 59.592 36.067 1.00 0.44 C ATOM 2508 CG ARG A 161 50.156 58.183 36.657 1.00 0.86 C ATOM 2509 CD ARG A 161 49.135 58.166 37.796 1.00 0.95 C ATOM 2510 NE ARG A 161 48.529 56.803 37.902 1.00 1.64 N ATOM 2511 CZ ARG A 161 47.429 56.591 38.599 1.00 2.06 C ATOM 2512 NH1 ARG A 161 46.815 57.567 39.228 1.00 2.12 N ATOM 2513 NH2 ARG A 161 46.940 55.383 38.665 1.00 2.94 N ATOM 0 H ARG A 161 52.462 60.635 36.574 1.00 0.33 H new ATOM 0 HA ARG A 161 51.558 58.649 34.644 1.00 0.39 H new ATOM 0 HB2 ARG A 161 50.422 60.318 36.859 1.00 0.44 H new ATOM 0 HB3 ARG A 161 49.290 59.859 35.603 1.00 0.44 H new ATOM 0 HG2 ARG A 161 49.867 57.470 35.885 1.00 0.86 H new ATOM 0 HG3 ARG A 161 51.134 57.874 37.026 1.00 0.86 H new ATOM 0 HD2 ARG A 161 49.618 58.435 38.735 1.00 0.95 H new ATOM 0 HD3 ARG A 161 48.358 58.908 37.613 1.00 0.95 H new ATOM 0 HE ARG A 161 48.976 56.020 37.425 1.00 1.64 H new ATOM 0 HH11 ARG A 161 47.187 58.516 39.184 1.00 2.12 H new ATOM 0 HH12 ARG A 161 45.966 57.376 39.760 1.00 2.12 H new ATOM 0 HH21 ARG A 161 47.408 54.616 38.181 1.00 2.94 H new ATOM 0 HH22 ARG A 161 46.090 55.205 39.200 1.00 2.94 H new ATOM 2527 N GLU A 162 51.263 61.832 33.962 1.00 0.39 N ATOM 2528 CA GLU A 162 50.883 62.780 32.873 1.00 0.45 C ATOM 2529 C GLU A 162 51.852 62.633 31.697 1.00 0.43 C ATOM 2530 O GLU A 162 51.470 62.766 30.549 1.00 0.49 O ATOM 2531 CB GLU A 162 50.937 64.214 33.403 1.00 0.51 C ATOM 2532 CG GLU A 162 49.677 64.502 34.223 1.00 0.94 C ATOM 2533 CD GLU A 162 48.609 65.119 33.318 1.00 1.53 C ATOM 2534 OE1 GLU A 162 48.462 64.649 32.202 1.00 2.14 O ATOM 2535 OE2 GLU A 162 47.956 66.051 33.757 1.00 2.27 O ATOM 0 H GLU A 162 51.767 62.251 34.743 1.00 0.39 H new ATOM 0 HA GLU A 162 49.871 62.554 32.536 1.00 0.45 H new ATOM 0 HB2 GLU A 162 51.825 64.352 34.020 1.00 0.51 H new ATOM 0 HB3 GLU A 162 51.013 64.917 32.574 1.00 0.51 H new ATOM 0 HG2 GLU A 162 49.302 63.581 34.670 1.00 0.94 H new ATOM 0 HG3 GLU A 162 49.911 65.181 35.043 1.00 0.94 H new ATOM 2542 N ILE A 163 53.102 62.361 31.975 1.00 0.39 N ATOM 2543 CA ILE A 163 54.102 62.205 30.876 1.00 0.40 C ATOM 2544 C ILE A 163 53.877 60.864 30.168 1.00 0.43 C ATOM 2545 O ILE A 163 54.030 60.757 28.966 1.00 0.49 O ATOM 2546 CB ILE A 163 55.517 62.256 31.466 1.00 0.37 C ATOM 2547 CG1 ILE A 163 55.706 63.589 32.201 1.00 0.38 C ATOM 2548 CG2 ILE A 163 56.552 62.143 30.341 1.00 0.43 C ATOM 2549 CD1 ILE A 163 57.071 63.613 32.894 1.00 0.41 C ATOM 0 H ILE A 163 53.473 62.240 32.917 1.00 0.39 H new ATOM 0 HA ILE A 163 53.985 63.013 30.154 1.00 0.40 H new ATOM 0 HB ILE A 163 55.652 61.427 32.161 1.00 0.37 H new ATOM 0 HG12 ILE A 163 55.632 64.417 31.496 1.00 0.38 H new ATOM 0 HG13 ILE A 163 54.913 63.725 32.936 1.00 0.38 H new ATOM 0 HG21 ILE A 163 57.556 62.180 30.765 1.00 0.43 H new ATOM 0 HG22 ILE A 163 56.415 61.199 29.814 1.00 0.43 H new ATOM 0 HG23 ILE A 163 56.422 62.970 29.643 1.00 0.43 H new ATOM 0 HD11 ILE A 163 57.198 64.562 33.414 1.00 0.41 H new ATOM 0 HD12 ILE A 163 57.129 62.795 33.612 1.00 0.41 H new ATOM 0 HD13 ILE A 163 57.859 63.498 32.150 1.00 0.41 H new ATOM 2561 N ARG A 164 53.513 59.846 30.905 1.00 0.42 N ATOM 2562 CA ARG A 164 53.274 58.511 30.282 1.00 0.49 C ATOM 2563 C ARG A 164 52.092 58.608 29.314 1.00 0.55 C ATOM 2564 O ARG A 164 52.216 58.320 28.139 1.00 0.70 O ATOM 2565 CB ARG A 164 52.958 57.485 31.375 1.00 0.54 C ATOM 2566 CG ARG A 164 54.230 56.716 31.743 1.00 0.90 C ATOM 2567 CD ARG A 164 53.855 55.416 32.460 1.00 1.07 C ATOM 2568 NE ARG A 164 53.883 54.281 31.485 1.00 1.73 N ATOM 2569 CZ ARG A 164 53.322 53.121 31.765 1.00 2.29 C ATOM 2570 NH1 ARG A 164 52.703 52.913 32.905 1.00 2.57 N ATOM 2571 NH2 ARG A 164 53.381 52.157 30.887 1.00 3.13 N ATOM 0 H ARG A 164 53.371 59.883 31.914 1.00 0.42 H new ATOM 0 HA ARG A 164 54.165 58.197 29.739 1.00 0.49 H new ATOM 0 HB2 ARG A 164 52.558 57.988 32.255 1.00 0.54 H new ATOM 0 HB3 ARG A 164 52.191 56.793 31.027 1.00 0.54 H new ATOM 0 HG2 ARG A 164 54.806 56.494 30.844 1.00 0.90 H new ATOM 0 HG3 ARG A 164 54.864 57.328 32.385 1.00 0.90 H new ATOM 0 HD2 ARG A 164 54.551 55.225 33.277 1.00 1.07 H new ATOM 0 HD3 ARG A 164 52.863 55.505 32.902 1.00 1.07 H new ATOM 0 HE ARG A 164 54.346 54.407 30.585 1.00 1.73 H new ATOM 0 HH11 ARG A 164 52.648 53.659 33.599 1.00 2.57 H new ATOM 0 HH12 ARG A 164 52.277 52.006 33.096 1.00 2.57 H new ATOM 0 HH21 ARG A 164 53.857 52.306 29.997 1.00 3.13 H new ATOM 0 HH22 ARG A 164 52.951 51.255 31.091 1.00 3.13 H new ATOM 2585 N GLN A 165 50.942 59.005 29.806 1.00 0.65 N ATOM 2586 CA GLN A 165 49.733 59.124 28.953 1.00 0.79 C ATOM 2587 C GLN A 165 50.042 59.922 27.678 1.00 0.86 C ATOM 2588 O GLN A 165 49.635 59.554 26.592 1.00 1.13 O ATOM 2589 CB GLN A 165 48.666 59.856 29.762 1.00 0.93 C ATOM 2590 CG GLN A 165 47.286 59.330 29.384 1.00 1.35 C ATOM 2591 CD GLN A 165 46.485 60.419 28.664 1.00 1.26 C ATOM 2592 OE1 GLN A 165 46.687 61.594 28.900 1.00 1.66 O ATOM 2593 NE2 GLN A 165 45.578 60.076 27.791 1.00 1.88 N ATOM 0 H GLN A 165 50.795 59.255 30.784 1.00 0.65 H new ATOM 0 HA GLN A 165 49.391 58.132 28.657 1.00 0.79 H new ATOM 0 HB2 GLN A 165 48.841 59.712 30.828 1.00 0.93 H new ATOM 0 HB3 GLN A 165 48.722 60.928 29.571 1.00 0.93 H new ATOM 0 HG2 GLN A 165 47.385 58.456 28.741 1.00 1.35 H new ATOM 0 HG3 GLN A 165 46.754 59.008 30.279 1.00 1.35 H new ATOM 0 HE21 GLN A 165 45.408 59.090 27.593 1.00 1.88 H new ATOM 0 HE22 GLN A 165 45.039 60.794 27.307 1.00 1.88 H new ATOM 2602 N HIS A 166 50.755 61.013 27.809 1.00 0.97 N ATOM 2603 CA HIS A 166 51.095 61.845 26.621 1.00 1.19 C ATOM 2604 C HIS A 166 51.889 61.012 25.610 1.00 1.72 C ATOM 2605 O HIS A 166 52.598 60.117 26.038 1.00 2.20 O ATOM 2606 CB HIS A 166 51.935 63.045 27.064 1.00 1.21 C ATOM 2607 CG HIS A 166 51.758 64.170 26.083 1.00 1.75 C ATOM 2608 ND1 HIS A 166 52.836 64.821 25.503 1.00 2.39 N ATOM 2609 CD2 HIS A 166 50.636 64.772 25.569 1.00 2.37 C ATOM 2610 CE1 HIS A 166 52.344 65.767 24.682 1.00 2.86 C ATOM 2611 NE2 HIS A 166 51.008 65.780 24.685 1.00 2.89 N ATOM 2612 OXT HIS A 166 51.774 61.285 24.427 1.00 2.34 O ATOM 0 H HIS A 166 51.117 61.363 28.696 1.00 0.97 H new ATOM 0 HA HIS A 166 50.175 62.194 26.153 1.00 1.19 H new ATOM 0 HB2 HIS A 166 51.632 63.366 28.061 1.00 1.21 H new ATOM 0 HB3 HIS A 166 52.986 62.764 27.125 1.00 1.21 H new ATOM 0 HD2 HIS A 166 49.619 64.504 25.814 1.00 2.37 H new ATOM 0 HE1 HIS A 166 52.955 66.435 24.092 1.00 2.86 H new ATOM 0 HE2 HIS A 166 50.393 66.396 24.154 1.00 2.89 H new TER 2620 HIS A 166 HETATM 2621 MG MG A 201 66.762 76.462 47.206 1.00 1.18 MG HETATM 2622 PB GDP A 200 63.265 76.926 48.619 1.00 0.54 P HETATM 2623 O1B GDP A 200 64.549 76.271 48.282 1.00 0.74 O HETATM 2624 O2B GDP A 200 62.098 76.019 48.615 1.00 0.77 O HETATM 2625 O3B GDP A 200 63.038 78.216 47.929 1.00 0.79 O HETATM 2626 O3A GDP A 200 63.433 77.336 50.168 1.00 0.83 O HETATM 2627 PA GDP A 200 63.432 76.199 51.307 1.00 0.64 P HETATM 2628 O1A GDP A 200 64.797 76.109 51.873 1.00 0.86 O HETATM 2629 O2A GDP A 200 62.783 74.990 50.753 1.00 0.62 O HETATM 2630 O5' GDP A 200 62.462 76.826 52.429 1.00 0.78 O HETATM 2631 C5' GDP A 200 62.324 78.243 52.557 1.00 1.12 C HETATM 2632 C4' GDP A 200 61.554 78.626 53.819 1.00 0.79 C HETATM 2633 O4' GDP A 200 60.157 78.298 53.683 1.00 0.72 O HETATM 2634 C3' GDP A 200 62.101 77.889 55.032 1.00 0.90 C HETATM 2635 O3' GDP A 200 62.667 78.807 55.974 1.00 1.08 O HETATM 2636 C2' GDP A 200 60.937 77.148 55.641 1.00 0.89 C HETATM 2637 O2' GDP A 200 60.717 77.565 56.992 1.00 1.23 O HETATM 2638 C1' GDP A 200 59.727 77.459 54.774 1.00 0.67 C HETATM 2639 N9 GDP A 200 59.116 76.216 54.267 1.00 0.58 N HETATM 2640 C8 GDP A 200 59.382 75.508 53.153 1.00 0.66 C HETATM 2641 N7 GDP A 200 58.723 74.438 52.898 1.00 0.67 N HETATM 2642 C5 GDP A 200 57.867 74.399 54.009 1.00 0.53 C HETATM 2643 C6 GDP A 200 56.863 73.454 54.351 1.00 0.54 C HETATM 2644 O6 GDP A 200 56.523 72.446 53.735 1.00 0.65 O HETATM 2645 N1 GDP A 200 56.237 73.784 55.546 1.00 0.57 N HETATM 2646 C2 GDP A 200 56.533 74.887 56.324 1.00 0.65 C HETATM 2647 N2 GDP A 200 55.816 75.029 57.439 1.00 0.85 N HETATM 2648 N3 GDP A 200 57.476 75.784 56.013 1.00 0.61 N HETATM 2649 C4 GDP A 200 58.102 75.486 54.852 1.00 0.52 C HETATM 0 HO3' GDP A 200 63.040 78.310 56.732 1.00 1.08 H new HETATM 0 HO2' GDP A 200 61.178 78.415 57.151 1.00 1.23 H new HETATM 0 HN22 GDP A 200 55.986 75.823 58.057 1.00 0.85 H new HETATM 0 HN21 GDP A 200 55.098 74.344 57.674 1.00 0.85 H new HETATM 0 H5'' GDP A 200 63.312 78.704 52.580 1.00 1.12 H new HETATM 0 HN1 GDP A 200 55.499 73.162 55.876 1.00 0.57 H new HETATM 0 H8 GDP A 200 60.159 75.845 52.467 1.00 0.66 H new HETATM 0 H5' GDP A 200 61.808 78.638 51.682 1.00 1.12 H new HETATM 0 H4' GDP A 200 61.672 79.701 53.957 1.00 0.79 H new HETATM 0 H3' GDP A 200 62.898 77.202 54.746 1.00 0.90 H new HETATM 0 H2' GDP A 200 61.130 76.076 55.673 1.00 0.89 H new HETATM 0 H1' GDP A 200 58.971 77.977 55.364 1.00 0.67 H new HETATM 2662 O HOH A 202 65.096 77.075 45.226 1.00 2.81 O HETATM 2665 O HOH A 203 68.641 74.915 46.243 1.00 2.78 O HETATM 2668 O HOH A 204 66.590 79.051 46.535 1.00 2.58 O HETATM 2671 O HOH A 205 67.200 77.705 49.476 1.00 2.65 O CONECT 240 2621 CONECT 2621 240 2623 2662 2665 CONECT 2621 2668 2671 CONECT 2622 2623 2624 2625 2626 CONECT 2623 2621 2622 CONECT 2624 2622 CONECT 2625 2622 CONECT 2626 2622 2627 CONECT 2627 2626 2628 2629 2630 CONECT 2628 2627 CONECT 2629 2627 CONECT 2630 2627 2631 CONECT 2631 2630 2632 2650 2651 CONECT 2632 2631 2633 2634 2652 CONECT 2633 2632 2638 CONECT 2634 2632 2635 2636 2653 CONECT 2635 2634 2654 CONECT 2636 2634 2637 2638 2655 CONECT 2637 2636 2656 CONECT 2638 2633 2636 2639 2657 CONECT 2639 2638 2640 2649 CONECT 2640 2639 2641 2658 CONECT 2641 2640 2642 CONECT 2642 2641 2643 2649 CONECT 2643 2642 2644 2645 CONECT 2644 2643 CONECT 2645 2643 2646 2659 CONECT 2646 2645 2647 2648 CONECT 2647 2646 2660 2661 CONECT 2648 2646 2649 CONECT 2649 2639 2642 2648 CONECT 2650 2631 CONECT 2651 2631 CONECT 2652 2632 CONECT 2653 2634 CONECT 2654 2635 CONECT 2655 2636 CONECT 2656 2637 CONECT 2657 2638 CONECT 2658 2640 CONECT 2659 2645 CONECT 2660 2647 CONECT 2661 2647 CONECT 2662 2621 CONECT 2665 2621 CONECT 2668 2621 CONECT 2671 2621 END