USER MOD reduce.3.24.130724 H: found=0, std=0, add=1087, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1088 hydrogens (0 hets) HEADER METAL BINDING PROTEIN 04-FEB-08 2K0J TITLE SOLUTION STRUCTURE OF CAM COMPLEXED TO DRP1P COMPND MOL_ID: 1; COMPND 2 MOLECULE: CALMODULIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: CAM; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 GENE: CALM1, CALM, CAM, CAM1; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 9 EXPRESSION_SYSTEM_PLASMID: PET16B-CAM KEYWDS CALMODULIN, DRP1 PEPTIDE, ACETYLATION, CALCIUM, METHYLATION, KEYWDS 2 PHOSPHOPROTEIN, UBL CONJUGATION, STRUCTURAL GENOMICS, KEYWDS 3 STRUCTURAL PROTEOMICS IN EUROPE, SPINE, METAL BINDING KEYWDS 4 PROTEIN EXPDTA SOLUTION NMR AUTHOR I.BERTINI,C.LUCHINAT,G.PARIGI,J.YUAN,STRUCTURAL PROTEOMICS AUTHOR 2 IN EUROPE (SPINE) REVDAT 2 05-MAY-09 2K0J 1 JRNL REVDAT 1 10-MAR-09 2K0J 0 JRNL AUTH I.BERTINI,P.KURSULA,C.LUCHINAT,G.PARIGI, JRNL AUTH 2 J.VAHOKOSKI,M.WILMANNS,J.YUAN JRNL TITL ACCURATE SOLUTION STRUCTURES OF PROTEINS FROM JRNL TITL 2 X-RAY DATA AND A MINIMAL SET OF NMR DATA: JRNL TITL 3 CALMODULIN-PEPTIDE COMPLEXES AS EXAMPLES. JRNL REF J.AM.CHEM.SOC. V. 131 5134 2009 JRNL REFN ISSN 0002-7863 JRNL PMID 19317469 JRNL DOI 10.1021/JA8080764 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR_NIH REMARK 3 AUTHORS : SCHWIETERS, KUSZEWSKI, TJANDRA AND CLORE REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 2K0J COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 07-FEB-08. REMARK 100 THE RCSB ID CODE IS RCSB100522. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 298 REMARK 210 PH : 7.5 REMARK 210 IONIC STRENGTH : 0.15 REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 0.4 MM [U-100% 13C; U-100% REMARK 210 15N] CALMODULIN, 90% H2O/10% REMARK 210 D2O; 0.4 MM [U-100% 15N] REMARK 210 CALMODULIN, 90% H2O/10% D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-15N HSQC; 3D HNCO; 3D REMARK 210 HNCA; 3D CBCA(CO)NH; 3D HN(CO) REMARK 210 CA; IPAP; 15N RELAXATION REMARK 210 MEASUREMENT R1; 15N RELAXATION REMARK 210 MEASUREMENT R2 REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ; 700 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : TOPSPIN, CARA 2.0, X-PLOR_NIH REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 ALA A 1 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 GLN A 3 -74.02 -178.70 REMARK 500 LEU A 4 105.95 68.07 REMARK 500 ASP A 20 88.97 -69.53 REMARK 500 LYS A 77 57.73 -145.00 REMARK 500 ASP A 78 -57.69 178.42 REMARK 500 ASP A 80 89.97 70.00 REMARK 500 SER A 81 -54.42 -143.25 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 CA A 501 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 22 OD1 REMARK 620 2 ASP A 22 OD2 46.6 REMARK 620 3 ASP A 24 OD1 76.6 120.2 REMARK 620 4 THR A 26 O 131.7 157.6 72.3 REMARK 620 5 GLU A 31 OE2 132.5 93.5 145.8 73.9 REMARK 620 6 GLU A 31 OE1 86.6 66.9 136.4 91.2 49.2 REMARK 620 7 ASP A 20 OD1 69.9 101.0 68.6 64.7 101.5 67.9 REMARK 620 N 1 2 3 4 5 6 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 503 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 93 OD1 REMARK 620 2 ASP A 95 OD1 69.5 REMARK 620 3 ASN A 97 OD1 66.5 72.7 REMARK 620 4 GLU A 104 OE1 78.6 135.3 121.8 REMARK 620 5 TYR A 99 O 70.5 126.0 58.8 66.4 REMARK 620 6 GLU A 104 OE2 60.4 90.1 126.8 46.3 100.2 REMARK 620 N 1 2 3 4 5 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CA A 504 CA REMARK 620 N RES CSSEQI ATOM REMARK 620 1 ASP A 131 OD2 REMARK 620 2 ASP A 133 OD1 96.5 REMARK 620 3 GLN A 135 O 171.7 79.0 REMARK 620 4 ASN A 137 ND2 62.9 122.7 125.4 REMARK 620 5 GLU A 140 OE2 63.4 147.6 117.2 72.6 REMARK 620 6 ASP A 131 OD1 46.9 66.7 124.9 109.5 81.5 REMARK 620 7 GLU A 140 OE1 109.5 152.0 73.9 79.9 48.6 125.0 REMARK 620 8 ASP A 129 OD1 107.2 74.0 65.0 160.0 87.4 64.9 88.0 REMARK 620 N 1 2 3 4 5 6 7 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 501 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 503 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CA A 504 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE LA A 999 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 7418 RELATED DB: BMRB REMARK 900 RELATED ID: 7417 RELATED DB: BMRB REMARK 900 RELATED ID: 7416 RELATED DB: BMRB REMARK 900 RELATED ID: 15650 RELATED DB: BMRB DBREF 2K0J A 2 148 UNP P62158 CALM_HUMAN 3 149 SEQADV 2K0J ALA A 1 UNP P62158 EXPRESSION TAG SEQADV 2K0J ASP A 60 UNP P62158 ASN 61 ENGINEERED SEQRES 1 A 148 ALA ASP GLN LEU THR GLU GLU GLN ILE ALA GLU PHE LYS SEQRES 2 A 148 GLU ALA PHE SER LEU PHE ASP LYS ASP GLY ASP GLY THR SEQRES 3 A 148 ILE THR THR LYS GLU LEU GLY THR VAL MET ARG SER LEU SEQRES 4 A 148 GLY GLN ASN PRO THR GLU ALA GLU LEU GLN ASP MET ILE SEQRES 5 A 148 ASN GLU VAL ASP ALA ASP GLY ASP GLY THR ILE ASP PHE SEQRES 6 A 148 PRO GLU PHE LEU THR MET MET ALA ARG LYS MET LYS ASP SEQRES 7 A 148 THR ASP SER GLU GLU GLU ILE ARG GLU ALA PHE ARG VAL SEQRES 8 A 148 PHE ASP LYS ASP GLY ASN GLY TYR ILE SER ALA ALA GLU SEQRES 9 A 148 LEU ARG HIS VAL MET THR ASN LEU GLY GLU LYS LEU THR SEQRES 10 A 148 ASP GLU GLU VAL ASP GLU MET ILE ARG GLU ALA ASP ILE SEQRES 11 A 148 ASP GLY ASP GLY GLN VAL ASN TYR GLU GLU PHE VAL GLN SEQRES 12 A 148 MET MET THR ALA LYS HET CA A 501 1 HET CA A 503 1 HET CA A 504 1 HET LA A 999 1 HETNAM CA CALCIUM ION HETNAM LA LANTHANUM (III) ION FORMUL 2 CA 3(CA 2+) FORMUL 5 LA LA 3+ HELIX 1 1 THR A 5 ASP A 20 1 16 HELIX 2 2 THR A 28 LEU A 39 1 12 HELIX 3 3 THR A 44 VAL A 55 1 12 HELIX 4 4 ASP A 64 MET A 76 1 13 HELIX 5 5 GLU A 84 ASP A 93 1 10 HELIX 6 6 SER A 101 GLY A 113 1 13 HELIX 7 7 THR A 117 ASP A 129 1 13 HELIX 8 8 TYR A 138 ALA A 147 1 10 SHEET 1 A 2 TYR A 99 ILE A 100 0 SHEET 2 A 2 VAL A 136 ASN A 137 -1 O VAL A 136 N ILE A 100 LINK OD1 ASP A 22 CA CA A 501 1555 1555 2.36 LINK OD2 ASP A 22 CA CA A 501 1555 1555 2.99 LINK OD1 ASP A 24 CA CA A 501 1555 1555 2.30 LINK O THR A 26 CA CA A 501 1555 1555 2.61 LINK OE2 GLU A 31 CA CA A 501 1555 1555 2.30 LINK OD1 ASP A 93 CA CA A 503 1555 1555 2.75 LINK OD1 ASP A 95 CA CA A 503 1555 1555 2.48 LINK OD1 ASN A 97 CA CA A 503 1555 1555 2.55 LINK OE1 GLU A 104 CA CA A 503 1555 1555 2.39 LINK OD2 ASP A 131 CA CA A 504 1555 1555 2.93 LINK OD1 ASP A 133 CA CA A 504 1555 1555 2.54 LINK O GLN A 135 CA CA A 504 1555 1555 2.45 LINK ND2 ASN A 137 CA CA A 504 1555 1555 2.99 LINK OE2 GLU A 140 CA CA A 504 1555 1555 2.71 LINK OE1 GLU A 31 CA CA A 501 1555 1555 2.84 LINK OD1 ASP A 131 CA CA A 504 1555 1555 2.48 LINK OE1 GLU A 140 CA CA A 504 1555 1555 2.63 LINK OD1 ASP A 20 CA CA A 501 1555 1555 3.01 LINK O TYR A 99 CA CA A 503 1555 1555 3.01 LINK OE2 GLU A 104 CA CA A 503 1555 1555 3.01 LINK OD1 ASP A 129 CA CA A 504 1555 1555 3.01 LINK OD1 ASP A 56 LA LA A 999 1555 1555 3.02 LINK OD1 ASP A 58 LA LA A 999 1555 1555 2.68 LINK OD1 ASP A 60 LA LA A 999 1555 1555 1.96 LINK O THR A 62 LA LA A 999 1555 1555 2.67 LINK OE1 GLU A 67 LA LA A 999 1555 1555 2.65 LINK OE2 GLU A 67 LA LA A 999 1555 1555 2.07 SITE *** AC1 4 PHE A 19 ASP A 20 ASP A 22 ASP A 24 SITE *** AC2 5 PHE A 92 ASP A 93 ASP A 95 TYR A 99 SITE *** AC2 5 ILE A 100 SITE *** AC3 4 TYR A 99 ALA A 128 ASP A 129 ASP A 131 SITE *** AC4 3 THR A 26 ASP A 56 ASP A 58 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A 503 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A 503 CACA :(metal ligand) USER MOD Set 1.1: A 107 HIS : no HD1:sc= 0 K(o=-1.4,f=-0.23) USER MOD Set 1.2: A 111 ASN : amide:sc= -1.41! K(o=-1.4!,f=-0.23) USER MOD Set 2.1: A 8 GLN : amide:sc= -0.823 K(o=-0.94,f=-2.8) USER MOD Set 2.2: A 77 LYS NZ :NH3+ 169:sc= -0.115 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.12) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0381 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot -38:sc= 0.895 USER MOD Single : A 21 LYS NZ :NH3+ -165:sc= 0.0581 (180deg=0.0197) USER MOD Single : A 26 THR OG1 : rot -88:sc= 0.723 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 154:sc= 0.083 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.03 USER MOD Single : A 36 MET CE :methyl -126:sc= -0.0802 (180deg=-2.09!) USER MOD Single : A 38 SER OG : rot -12:sc= 0.136 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0241 USER MOD Single : A 49 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.14) USER MOD Single : A 51 MET CE :methyl -140:sc= 0 (180deg=-0.778) USER MOD Single : A 53 ASN : amide:sc= -0.741 X(o=-0.74,f=-0.93) USER MOD Single : A 62 THR OG1 : rot -156:sc= -0.64 USER MOD Single : A 70 THR OG1 : rot 72:sc= 0.052 USER MOD Single : A 71 MET CE :methyl -137:sc= -0.547 (180deg=-1.79) USER MOD Single : A 72 MET CE :methyl 155:sc= -0.33 (180deg=-1.2) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= -0.0434 (180deg=-0.392) USER MOD Single : A 76 MET CE :methyl -162:sc= -0.141 (180deg=-0.693) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.803 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 134:sc= -0.063 (180deg=-0.303) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.3 USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 79:sc= 0.838 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 82:sc= 0.205 USER MOD Single : A 124 MET CE :methyl -177:sc= -1.37 (180deg=-1.44) USER MOD Single : A 135 GLN : amide:sc= -0.752 X(o=-0.75,f=-0.47) USER MOD Single : A 137 ASN : amide:sc= -2.16 K(o=-2.2,f=-6.1!) USER MOD Single : A 138 TYR OH : rot 180:sc= -0.755 USER MOD Single : A 143 GLN : amide:sc= -1.24 K(o=-1.2,f=-0.041) USER MOD Single : A 144 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 145 MET CE :methyl -136:sc= -1.45 (180deg=-3.62!) USER MOD Single : A 146 THR OG1 : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 2 64.907 -7.017 16.819 1.00 53.72 N ATOM 2 CA ASP A 2 66.353 -6.688 16.731 1.00 53.40 C ATOM 3 C ASP A 2 66.889 -6.983 15.334 1.00 52.70 C ATOM 4 O ASP A 2 67.579 -7.982 15.122 1.00 53.10 O ATOM 5 CB ASP A 2 67.143 -7.482 17.775 1.00 53.68 C ATOM 6 CG ASP A 2 68.557 -6.962 17.953 1.00 54.57 C ATOM 7 OD1 ASP A 2 68.719 -5.879 18.553 1.00 56.38 O ATOM 8 OD2 ASP A 2 69.502 -7.638 17.494 1.00 55.62 O ATOM 0 HA ASP A 2 66.474 -5.623 16.931 1.00 53.40 H new ATOM 0 HB2 ASP A 2 66.621 -7.439 18.731 1.00 53.68 H new ATOM 0 HB3 ASP A 2 67.180 -8.530 17.478 1.00 53.68 H new ATOM 13 N GLN A 3 66.565 -6.101 14.388 1.00 51.43 N ATOM 14 CA GLN A 3 66.999 -6.251 13.000 1.00 50.38 C ATOM 15 C GLN A 3 66.505 -5.078 12.160 1.00 48.59 C ATOM 16 O GLN A 3 67.290 -4.204 11.789 1.00 49.55 O ATOM 17 CB GLN A 3 66.470 -7.561 12.405 1.00 50.74 C ATOM 18 CG GLN A 3 67.465 -8.277 11.501 1.00 52.11 C ATOM 19 CD GLN A 3 67.801 -7.490 10.247 1.00 53.00 C ATOM 20 OE1 GLN A 3 67.112 -7.594 9.233 1.00 55.12 O ATOM 21 NE2 GLN A 3 68.872 -6.706 10.308 1.00 53.15 N ATOM 0 H GLN A 3 65.999 -5.270 14.560 1.00 51.43 H new ATOM 0 HA GLN A 3 68.089 -6.270 12.988 1.00 50.38 H new ATOM 0 HB2 GLN A 3 66.187 -8.229 13.218 1.00 50.74 H new ATOM 0 HB3 GLN A 3 65.564 -7.350 11.836 1.00 50.74 H new ATOM 0 HG2 GLN A 3 68.381 -8.469 12.059 1.00 52.11 H new ATOM 0 HG3 GLN A 3 67.056 -9.246 11.216 1.00 52.11 H new ATOM 0 HE21 GLN A 3 69.415 -6.650 11.170 1.00 53.15 H new ATOM 0 HE22 GLN A 3 69.151 -6.160 9.493 1.00 53.15 H new ATOM 30 N LEU A 4 65.200 -5.082 11.867 1.00 45.79 N ATOM 31 CA LEU A 4 64.557 -4.034 11.071 1.00 43.24 C ATOM 32 C LEU A 4 65.030 -4.071 9.617 0.50 40.45 C ATOM 33 O LEU A 4 66.148 -3.665 9.302 1.00 39.26 O ATOM 34 CB LEU A 4 64.819 -2.653 11.681 1.00 43.95 C ATOM 35 CG LEU A 4 64.053 -1.497 11.037 1.00 44.38 C ATOM 36 CD1 LEU A 4 62.556 -1.671 11.239 1.00 45.07 C ATOM 37 CD2 LEU A 4 64.519 -0.168 11.610 1.00 44.36 C ATOM 0 H LEU A 4 64.560 -5.814 12.176 1.00 45.79 H new ATOM 0 HA LEU A 4 63.484 -4.223 11.082 1.00 43.24 H new ATOM 0 HB2 LEU A 4 64.566 -2.689 12.741 1.00 43.95 H new ATOM 0 HB3 LEU A 4 65.886 -2.441 11.615 1.00 43.95 H new ATOM 0 HG LEU A 4 64.257 -1.501 9.966 1.00 44.38 H new ATOM 0 HD11 LEU A 4 62.027 -0.839 10.774 1.00 45.07 H new ATOM 0 HD12 LEU A 4 62.234 -2.607 10.782 1.00 45.07 H new ATOM 0 HD13 LEU A 4 62.333 -1.692 12.306 1.00 45.07 H new ATOM 0 HD21 LEU A 4 63.964 0.645 11.141 1.00 44.36 H new ATOM 0 HD22 LEU A 4 64.344 -0.154 12.686 1.00 44.36 H new ATOM 0 HD23 LEU A 4 65.584 -0.041 11.414 1.00 44.36 H new ATOM 49 N THR A 5 64.161 -4.552 8.732 1.00 37.31 N ATOM 50 CA THR A 5 64.488 -4.643 7.314 1.00 34.31 C ATOM 51 C THR A 5 64.034 -3.397 6.563 1.00 32.57 C ATOM 52 O THR A 5 63.257 -2.598 7.083 1.00 29.88 O ATOM 53 CB THR A 5 63.843 -5.881 6.664 1.00 33.89 C ATOM 54 OG1 THR A 5 62.416 -5.774 6.711 1.00 33.87 O ATOM 55 CG2 THR A 5 64.282 -7.154 7.369 1.00 34.09 C ATOM 0 H THR A 5 63.227 -4.884 8.972 1.00 37.31 H new ATOM 0 HA THR A 5 65.572 -4.731 7.248 1.00 34.31 H new ATOM 0 HB THR A 5 64.170 -5.928 5.625 1.00 33.89 H new ATOM 0 HG1 THR A 5 62.015 -6.565 6.294 1.00 33.87 H new ATOM 0 HG21 THR A 5 63.813 -8.014 6.892 1.00 34.09 H new ATOM 0 HG22 THR A 5 65.366 -7.250 7.306 1.00 34.09 H new ATOM 0 HG23 THR A 5 63.982 -7.112 8.416 1.00 34.09 H new ATOM 63 N GLU A 6 64.530 -3.239 5.339 1.00 30.98 N ATOM 64 CA GLU A 6 64.180 -2.092 4.507 1.00 30.84 C ATOM 65 C GLU A 6 62.717 -2.151 4.074 1.00 30.27 C ATOM 66 O GLU A 6 62.060 -1.119 3.941 1.00 31.32 O ATOM 67 CB GLU A 6 65.084 -2.038 3.275 1.00 31.24 C ATOM 68 CG GLU A 6 66.562 -1.942 3.611 1.00 30.45 C ATOM 69 CD GLU A 6 67.440 -1.914 2.376 1.00 30.23 C ATOM 70 OE1 GLU A 6 67.846 -3.000 1.912 1.00 27.84 O ATOM 71 OE2 GLU A 6 67.720 -0.806 1.871 1.00 33.93 O ATOM 0 H GLU A 6 65.178 -3.893 4.900 1.00 30.98 H new ATOM 0 HA GLU A 6 64.325 -1.190 5.101 1.00 30.84 H new ATOM 0 HB2 GLU A 6 64.914 -2.929 2.670 1.00 31.24 H new ATOM 0 HB3 GLU A 6 64.802 -1.180 2.665 1.00 31.24 H new ATOM 0 HG2 GLU A 6 66.739 -1.041 4.199 1.00 30.45 H new ATOM 0 HG3 GLU A 6 66.845 -2.790 4.234 1.00 30.45 H new ATOM 78 N GLU A 7 62.218 -3.365 3.853 0.50 30.05 N ATOM 79 CA GLU A 7 60.831 -3.564 3.443 0.50 29.91 C ATOM 80 C GLU A 7 59.878 -3.246 4.591 0.50 30.07 C ATOM 81 O GLU A 7 58.773 -2.753 4.373 0.50 30.24 O ATOM 82 CB GLU A 7 60.623 -5.005 2.969 0.50 30.07 C ATOM 83 CG GLU A 7 59.202 -5.306 2.518 0.50 30.04 C ATOM 84 CD GLU A 7 58.771 -4.463 1.333 0.50 29.79 C ATOM 85 OE1 GLU A 7 59.224 -4.750 0.205 0.50 29.03 O ATOM 86 OE2 GLU A 7 57.977 -3.520 1.533 0.50 30.05 O ATOM 0 H GLU A 7 62.755 -4.227 3.951 0.50 30.05 H new ATOM 0 HA GLU A 7 60.615 -2.885 2.618 0.50 29.91 H new ATOM 0 HB2 GLU A 7 61.306 -5.208 2.144 0.50 30.07 H new ATOM 0 HB3 GLU A 7 60.889 -5.685 3.778 0.50 30.07 H new ATOM 0 HG2 GLU A 7 59.125 -6.361 2.255 0.50 30.04 H new ATOM 0 HG3 GLU A 7 58.518 -5.134 3.349 0.50 30.04 H new ATOM 93 N GLN A 8 60.321 -3.528 5.813 1.00 30.29 N ATOM 94 CA GLN A 8 59.516 -3.265 7.000 1.00 30.87 C ATOM 95 C GLN A 8 59.245 -1.769 7.144 1.00 30.97 C ATOM 96 O GLN A 8 58.099 -1.352 7.311 1.00 32.04 O ATOM 97 CB GLN A 8 60.222 -3.798 8.247 1.00 31.09 C ATOM 98 CG GLN A 8 59.403 -3.659 9.518 1.00 34.41 C ATOM 99 CD GLN A 8 59.970 -4.468 10.666 1.00 35.02 C ATOM 100 OE1 GLN A 8 61.175 -4.711 10.735 1.00 37.78 O ATOM 101 NE2 GLN A 8 59.102 -4.890 11.577 1.00 37.97 N ATOM 0 H GLN A 8 61.234 -3.939 6.006 1.00 30.29 H new ATOM 0 HA GLN A 8 58.561 -3.779 6.891 1.00 30.87 H new ATOM 0 HB2 GLN A 8 60.465 -4.850 8.095 1.00 31.09 H new ATOM 0 HB3 GLN A 8 61.166 -3.268 8.374 1.00 31.09 H new ATOM 0 HG2 GLN A 8 59.360 -2.608 9.805 1.00 34.41 H new ATOM 0 HG3 GLN A 8 58.379 -3.979 9.323 1.00 34.41 H new ATOM 0 HE21 GLN A 8 58.112 -4.665 11.480 1.00 37.97 H new ATOM 0 HE22 GLN A 8 59.425 -5.439 12.374 1.00 37.97 H new ATOM 110 N ILE A 9 60.312 -0.973 7.088 1.00 30.34 N ATOM 111 CA ILE A 9 60.203 0.482 7.186 1.00 31.03 C ATOM 112 C ILE A 9 59.357 1.059 6.052 1.00 31.62 C ATOM 113 O ILE A 9 58.634 2.035 6.242 1.00 32.85 O ATOM 114 CB ILE A 9 61.592 1.148 7.149 1.00 30.97 C ATOM 115 CG1 ILE A 9 62.559 0.418 8.080 1.00 31.50 C ATOM 116 CG2 ILE A 9 61.491 2.616 7.536 1.00 30.21 C ATOM 117 CD1 ILE A 9 63.980 0.930 7.992 1.00 31.06 C ATOM 0 H ILE A 9 61.267 -1.314 6.975 1.00 30.34 H new ATOM 0 HA ILE A 9 59.720 0.694 8.140 1.00 31.03 H new ATOM 0 HB ILE A 9 61.976 1.085 6.131 1.00 30.97 H new ATOM 0 HG12 ILE A 9 62.208 0.518 9.107 1.00 31.50 H new ATOM 0 HG13 ILE A 9 62.548 -0.645 7.841 1.00 31.50 H new ATOM 0 HG21 ILE A 9 62.482 3.070 7.504 1.00 30.21 H new ATOM 0 HG22 ILE A 9 60.833 3.132 6.837 1.00 30.21 H new ATOM 0 HG23 ILE A 9 61.086 2.699 8.545 1.00 30.21 H new ATOM 0 HD11 ILE A 9 64.613 0.368 8.679 1.00 31.06 H new ATOM 0 HD12 ILE A 9 64.349 0.805 6.974 1.00 31.06 H new ATOM 0 HD13 ILE A 9 64.003 1.986 8.260 1.00 31.06 H new ATOM 129 N ALA A 10 59.457 0.447 4.874 1.00 32.76 N ATOM 130 CA ALA A 10 58.708 0.899 3.704 1.00 32.92 C ATOM 131 C ALA A 10 57.204 0.748 3.916 1.00 33.67 C ATOM 132 O ALA A 10 56.427 1.631 3.556 1.00 33.24 O ATOM 133 CB ALA A 10 59.146 0.131 2.467 1.00 32.87 C ATOM 0 H ALA A 10 60.051 -0.365 4.704 1.00 32.76 H new ATOM 0 HA ALA A 10 58.922 1.958 3.558 1.00 32.92 H new ATOM 0 HB1 ALA A 10 58.579 0.479 1.603 1.00 32.87 H new ATOM 0 HB2 ALA A 10 60.209 0.296 2.294 1.00 32.87 H new ATOM 0 HB3 ALA A 10 58.964 -0.933 2.616 1.00 32.87 H new ATOM 139 N GLU A 11 56.805 -0.384 4.492 1.00 34.26 N ATOM 140 CA GLU A 11 55.397 -0.658 4.767 1.00 35.54 C ATOM 141 C GLU A 11 54.818 0.340 5.765 1.00 35.31 C ATOM 142 O GLU A 11 53.703 0.830 5.587 1.00 36.03 O ATOM 143 CB GLU A 11 55.235 -2.077 5.313 1.00 35.96 C ATOM 144 CG GLU A 11 55.599 -3.162 4.315 1.00 36.71 C ATOM 145 CD GLU A 11 55.605 -4.543 4.938 1.00 37.00 C ATOM 146 OE1 GLU A 11 54.509 -5.083 5.196 1.00 40.98 O ATOM 147 OE2 GLU A 11 56.707 -5.083 5.172 1.00 38.77 O ATOM 0 H GLU A 11 57.440 -1.129 4.778 1.00 34.26 H new ATOM 0 HA GLU A 11 54.851 -0.560 3.829 1.00 35.54 H new ATOM 0 HB2 GLU A 11 55.858 -2.188 6.200 1.00 35.96 H new ATOM 0 HB3 GLU A 11 54.202 -2.219 5.629 1.00 35.96 H new ATOM 0 HG2 GLU A 11 54.890 -3.143 3.487 1.00 36.71 H new ATOM 0 HG3 GLU A 11 56.583 -2.951 3.896 1.00 36.71 H new ATOM 154 N PHE A 12 55.578 0.631 6.816 1.00 36.18 N ATOM 155 CA PHE A 12 55.140 1.568 7.846 1.00 36.00 C ATOM 156 C PHE A 12 55.049 2.992 7.304 1.00 35.80 C ATOM 157 O PHE A 12 54.088 3.705 7.579 1.00 35.83 O ATOM 158 CB PHE A 12 56.098 1.532 9.037 1.00 36.65 C ATOM 159 CG PHE A 12 56.122 0.216 9.764 1.00 37.16 C ATOM 160 CD1 PHE A 12 55.060 -0.668 9.669 1.00 39.11 C ATOM 161 CD2 PHE A 12 57.210 -0.133 10.549 1.00 37.57 C ATOM 162 CE1 PHE A 12 55.081 -1.875 10.341 1.00 40.47 C ATOM 163 CE2 PHE A 12 57.237 -1.338 11.224 1.00 38.54 C ATOM 164 CZ PHE A 12 56.171 -2.211 11.119 1.00 38.38 C ATOM 0 H PHE A 12 56.502 0.231 6.977 1.00 36.18 H new ATOM 0 HA PHE A 12 54.145 1.261 8.169 1.00 36.00 H new ATOM 0 HB2 PHE A 12 57.105 1.760 8.687 1.00 36.65 H new ATOM 0 HB3 PHE A 12 55.818 2.318 9.739 1.00 36.65 H new ATOM 0 HD1 PHE A 12 54.205 -0.411 9.062 1.00 39.11 H new ATOM 0 HD2 PHE A 12 58.046 0.545 10.634 1.00 37.57 H new ATOM 0 HE1 PHE A 12 54.246 -2.555 10.258 1.00 40.47 H new ATOM 0 HE2 PHE A 12 58.090 -1.597 11.833 1.00 38.54 H new ATOM 0 HZ PHE A 12 56.190 -3.154 11.645 1.00 38.38 H new ATOM 174 N LYS A 13 56.070 3.401 6.553 1.00 36.20 N ATOM 175 CA LYS A 13 56.122 4.739 5.961 1.00 36.37 C ATOM 176 C LYS A 13 54.933 4.998 5.035 1.00 36.20 C ATOM 177 O LYS A 13 54.399 6.106 4.995 1.00 34.98 O ATOM 178 CB LYS A 13 57.430 4.917 5.188 1.00 37.29 C ATOM 179 CG LYS A 13 57.614 6.310 4.609 1.00 38.53 C ATOM 180 CD LYS A 13 58.911 6.419 3.826 1.00 38.80 C ATOM 181 CE LYS A 13 59.089 7.807 3.234 1.00 40.24 C ATOM 182 NZ LYS A 13 60.354 7.922 2.458 1.00 40.98 N ATOM 0 H LYS A 13 56.880 2.820 6.338 1.00 36.20 H new ATOM 0 HA LYS A 13 56.074 5.463 6.775 1.00 36.37 H new ATOM 0 HB2 LYS A 13 58.266 4.696 5.851 1.00 37.29 H new ATOM 0 HB3 LYS A 13 57.464 4.189 4.377 1.00 37.29 H new ATOM 0 HG2 LYS A 13 56.773 6.549 3.958 1.00 38.53 H new ATOM 0 HG3 LYS A 13 57.611 7.044 5.415 1.00 38.53 H new ATOM 0 HD2 LYS A 13 59.752 6.191 4.480 1.00 38.80 H new ATOM 0 HD3 LYS A 13 58.918 5.678 3.027 1.00 38.80 H new ATOM 0 HE2 LYS A 13 58.243 8.036 2.586 1.00 40.24 H new ATOM 0 HE3 LYS A 13 59.086 8.546 4.035 1.00 40.24 H new ATOM 0 HZ1 LYS A 13 60.438 8.884 2.071 1.00 40.98 H new ATOM 0 HZ2 LYS A 13 61.163 7.728 3.082 1.00 40.98 H new ATOM 0 HZ3 LYS A 13 60.346 7.234 1.678 1.00 40.98 H new ATOM 196 N GLU A 14 54.530 3.972 4.293 1.00 35.67 N ATOM 197 CA GLU A 14 53.402 4.092 3.373 1.00 36.62 C ATOM 198 C GLU A 14 52.107 4.326 4.148 1.00 36.28 C ATOM 199 O GLU A 14 51.298 5.178 3.789 1.00 37.57 O ATOM 200 CB GLU A 14 53.279 2.840 2.502 1.00 37.08 C ATOM 201 CG GLU A 14 52.396 3.039 1.281 1.00 39.54 C ATOM 202 CD GLU A 14 52.377 1.829 0.368 1.00 40.98 C ATOM 203 OE1 GLU A 14 53.468 1.345 0.001 1.00 42.45 O ATOM 204 OE2 GLU A 14 51.270 1.369 0.015 1.00 45.14 O ATOM 0 H GLU A 14 54.966 3.050 4.310 1.00 35.67 H new ATOM 0 HA GLU A 14 53.581 4.948 2.722 1.00 36.62 H new ATOM 0 HB2 GLU A 14 54.273 2.534 2.176 1.00 37.08 H new ATOM 0 HB3 GLU A 14 52.876 2.026 3.104 1.00 37.08 H new ATOM 0 HG2 GLU A 14 51.379 3.260 1.605 1.00 39.54 H new ATOM 0 HG3 GLU A 14 52.747 3.906 0.721 1.00 39.54 H new ATOM 211 N ALA A 15 51.920 3.546 5.206 1.00 36.89 N ATOM 212 CA ALA A 15 50.741 3.670 6.058 1.00 36.78 C ATOM 213 C ALA A 15 50.713 5.017 6.784 1.00 36.66 C ATOM 214 O ALA A 15 49.660 5.638 6.913 1.00 35.96 O ATOM 215 CB ALA A 15 50.697 2.529 7.061 1.00 37.39 C ATOM 0 H ALA A 15 52.572 2.817 5.496 1.00 36.89 H new ATOM 0 HA ALA A 15 49.859 3.618 5.419 1.00 36.78 H new ATOM 0 HB1 ALA A 15 49.813 2.632 7.691 1.00 37.39 H new ATOM 0 HB2 ALA A 15 50.655 1.578 6.529 1.00 37.39 H new ATOM 0 HB3 ALA A 15 51.591 2.557 7.683 1.00 37.39 H new ATOM 221 N PHE A 16 51.879 5.455 7.254 1.00 36.99 N ATOM 222 CA PHE A 16 52.008 6.721 7.979 1.00 35.69 C ATOM 223 C PHE A 16 51.689 7.922 7.091 1.00 36.04 C ATOM 224 O PHE A 16 51.105 8.903 7.551 1.00 35.05 O ATOM 225 CB PHE A 16 53.423 6.860 8.547 1.00 36.22 C ATOM 226 CG PHE A 16 53.612 8.078 9.406 1.00 34.97 C ATOM 227 CD1 PHE A 16 53.058 8.139 10.674 1.00 36.41 C ATOM 228 CD2 PHE A 16 54.341 9.163 8.945 1.00 37.68 C ATOM 229 CE1 PHE A 16 53.227 9.258 11.467 1.00 36.07 C ATOM 230 CE2 PHE A 16 54.514 10.284 9.733 1.00 35.11 C ATOM 231 CZ PHE A 16 53.957 10.331 10.996 1.00 37.12 C ATOM 0 H PHE A 16 52.757 4.947 7.145 1.00 36.99 H new ATOM 0 HA PHE A 16 51.284 6.706 8.793 1.00 35.69 H new ATOM 0 HB2 PHE A 16 53.658 5.972 9.134 1.00 36.22 H new ATOM 0 HB3 PHE A 16 54.134 6.894 7.722 1.00 36.22 H new ATOM 0 HD1 PHE A 16 52.487 7.302 11.047 1.00 36.41 H new ATOM 0 HD2 PHE A 16 54.779 9.131 7.958 1.00 37.68 H new ATOM 0 HE1 PHE A 16 52.789 9.293 12.453 1.00 36.07 H new ATOM 0 HE2 PHE A 16 55.084 11.123 9.362 1.00 35.11 H new ATOM 0 HZ PHE A 16 54.092 11.206 11.614 1.00 37.12 H new ATOM 241 N SER A 17 52.074 7.841 5.821 0.50 35.75 N ATOM 242 CA SER A 17 51.830 8.934 4.884 0.50 36.21 C ATOM 243 C SER A 17 50.342 9.038 4.557 0.50 36.51 C ATOM 244 O SER A 17 49.817 10.134 4.357 0.50 36.79 O ATOM 245 CB SER A 17 52.646 8.749 3.602 0.50 36.21 C ATOM 246 OG SER A 17 52.188 7.640 2.852 0.50 36.90 O ATOM 0 H SER A 17 52.553 7.036 5.418 0.50 35.75 H new ATOM 0 HA SER A 17 52.148 9.862 5.359 0.50 36.21 H new ATOM 0 HB2 SER A 17 52.582 9.652 2.995 0.50 36.21 H new ATOM 0 HB3 SER A 17 53.697 8.609 3.855 0.50 36.21 H new ATOM 0 HG SER A 17 51.943 6.912 3.461 0.50 36.90 H new ATOM 252 N LEU A 18 49.671 7.889 4.500 1.00 36.83 N ATOM 253 CA LEU A 18 48.240 7.850 4.216 1.00 36.81 C ATOM 254 C LEU A 18 47.437 8.408 5.389 1.00 36.31 C ATOM 255 O LEU A 18 46.396 9.032 5.195 1.00 36.21 O ATOM 256 CB LEU A 18 47.796 6.419 3.906 1.00 37.53 C ATOM 257 CG LEU A 18 48.398 5.817 2.635 1.00 38.71 C ATOM 258 CD1 LEU A 18 47.766 4.469 2.329 1.00 39.54 C ATOM 259 CD2 LEU A 18 48.223 6.768 1.461 1.00 40.11 C ATOM 0 H LEU A 18 50.096 6.974 4.647 1.00 36.83 H new ATOM 0 HA LEU A 18 48.051 8.474 3.343 1.00 36.81 H new ATOM 0 HB2 LEU A 18 48.058 5.782 4.751 1.00 37.53 H new ATOM 0 HB3 LEU A 18 46.710 6.402 3.819 1.00 37.53 H new ATOM 0 HG LEU A 18 49.465 5.665 2.799 1.00 38.71 H new ATOM 0 HD11 LEU A 18 48.208 4.058 1.421 1.00 39.54 H new ATOM 0 HD12 LEU A 18 47.943 3.787 3.160 1.00 39.54 H new ATOM 0 HD13 LEU A 18 46.693 4.595 2.185 1.00 39.54 H new ATOM 0 HD21 LEU A 18 48.657 6.324 0.565 1.00 40.11 H new ATOM 0 HD22 LEU A 18 47.161 6.952 1.297 1.00 40.11 H new ATOM 0 HD23 LEU A 18 48.725 7.711 1.678 1.00 40.11 H new ATOM 271 N PHE A 19 47.927 8.173 6.604 1.00 35.46 N ATOM 272 CA PHE A 19 47.262 8.666 7.806 1.00 35.48 C ATOM 273 C PHE A 19 47.415 10.178 7.924 1.00 35.56 C ATOM 274 O PHE A 19 46.423 10.903 7.997 1.00 36.45 O ATOM 275 CB PHE A 19 47.835 7.988 9.052 1.00 35.38 C ATOM 276 CG PHE A 19 47.064 6.775 9.487 1.00 36.30 C ATOM 277 CD1 PHE A 19 47.252 5.555 8.860 1.00 37.24 C ATOM 278 CD2 PHE A 19 46.150 6.857 10.525 1.00 36.42 C ATOM 279 CE1 PHE A 19 46.544 4.439 9.259 1.00 36.29 C ATOM 280 CE2 PHE A 19 45.439 5.743 10.929 1.00 37.29 C ATOM 281 CZ PHE A 19 45.636 4.532 10.295 1.00 34.14 C ATOM 0 H PHE A 19 48.781 7.645 6.781 1.00 35.46 H new ATOM 0 HA PHE A 19 46.202 8.426 7.728 1.00 35.48 H new ATOM 0 HB2 PHE A 19 48.868 7.700 8.856 1.00 35.38 H new ATOM 0 HB3 PHE A 19 47.855 8.708 9.870 1.00 35.38 H new ATOM 0 HD1 PHE A 19 47.961 5.475 8.049 1.00 37.24 H new ATOM 0 HD2 PHE A 19 45.991 7.802 11.024 1.00 36.42 H new ATOM 0 HE1 PHE A 19 46.700 3.494 8.761 1.00 36.29 H new ATOM 0 HE2 PHE A 19 44.730 5.819 11.740 1.00 37.29 H new ATOM 0 HZ PHE A 19 45.081 3.660 10.609 1.00 34.14 H new ATOM 291 N ASP A 20 48.663 10.642 7.966 1.00 36.38 N ATOM 292 CA ASP A 20 48.956 12.070 8.058 1.00 37.00 C ATOM 293 C ASP A 20 48.595 12.797 6.766 1.00 37.97 C ATOM 294 O ASP A 20 49.420 12.918 5.860 1.00 38.10 O ATOM 295 CB ASP A 20 50.437 12.288 8.370 1.00 37.14 C ATOM 296 CG ASP A 20 50.654 12.934 9.723 1.00 37.98 C ATOM 297 OD1 ASP A 20 50.400 14.151 9.846 1.00 38.11 O ATOM 298 OD2 ASP A 20 51.077 12.225 10.658 1.00 37.80 O ATOM 0 H ASP A 20 49.490 10.046 7.938 1.00 36.38 H new ATOM 0 HA ASP A 20 48.349 12.480 8.865 1.00 37.00 H new ATOM 0 HB2 ASP A 20 50.956 11.330 8.340 1.00 37.14 H new ATOM 0 HB3 ASP A 20 50.880 12.915 7.596 1.00 37.14 H new ATOM 303 N LYS A 21 47.347 13.256 6.683 1.00 39.50 N ATOM 304 CA LYS A 21 46.858 13.979 5.513 1.00 40.69 C ATOM 305 C LYS A 21 47.644 15.267 5.272 1.00 40.82 C ATOM 306 O LYS A 21 47.897 15.638 4.126 1.00 41.79 O ATOM 307 CB LYS A 21 45.375 14.310 5.685 1.00 41.50 C ATOM 308 CG LYS A 21 44.515 13.106 6.035 1.00 42.47 C ATOM 309 CD LYS A 21 44.493 12.085 4.909 1.00 43.21 C ATOM 310 CE LYS A 21 43.581 10.914 5.238 1.00 43.27 C ATOM 311 NZ LYS A 21 43.538 9.914 4.136 1.00 42.88 N ATOM 0 H LYS A 21 46.652 13.138 7.420 1.00 39.50 H new ATOM 0 HA LYS A 21 46.996 13.333 4.646 1.00 40.69 H new ATOM 0 HB2 LYS A 21 45.268 15.061 6.468 1.00 41.50 H new ATOM 0 HB3 LYS A 21 45.002 14.755 4.763 1.00 41.50 H new ATOM 0 HG2 LYS A 21 44.896 12.638 6.943 1.00 42.47 H new ATOM 0 HG3 LYS A 21 43.498 13.435 6.248 1.00 42.47 H new ATOM 0 HD2 LYS A 21 44.156 12.563 3.989 1.00 43.21 H new ATOM 0 HD3 LYS A 21 45.504 11.720 4.727 1.00 43.21 H new ATOM 0 HE2 LYS A 21 43.926 10.431 6.152 1.00 43.27 H new ATOM 0 HE3 LYS A 21 42.574 11.282 5.433 1.00 43.27 H new ATOM 0 HZ1 LYS A 21 42.730 9.274 4.279 1.00 42.88 H new ATOM 0 HZ2 LYS A 21 43.434 10.405 3.225 1.00 42.88 H new ATOM 0 HZ3 LYS A 21 44.420 9.363 4.133 1.00 42.88 H new ATOM 325 N ASP A 22 48.030 15.946 6.349 1.00 41.03 N ATOM 326 CA ASP A 22 48.781 17.190 6.226 1.00 41.09 C ATOM 327 C ASP A 22 50.287 16.934 6.224 1.00 40.96 C ATOM 328 O ASP A 22 51.073 17.836 5.933 1.00 40.65 O ATOM 329 CB ASP A 22 48.410 18.144 7.362 1.00 41.83 C ATOM 330 CG ASP A 22 48.226 17.425 8.684 1.00 41.88 C ATOM 331 OD1 ASP A 22 49.239 16.998 9.274 1.00 43.90 O ATOM 332 OD2 ASP A 22 47.067 17.289 9.129 1.00 43.24 O ATOM 0 H ASP A 22 47.837 15.658 7.308 1.00 41.03 H new ATOM 0 HA ASP A 22 48.518 17.648 5.273 1.00 41.09 H new ATOM 0 HB2 ASP A 22 49.189 18.899 7.468 1.00 41.83 H new ATOM 0 HB3 ASP A 22 47.490 18.669 7.106 1.00 41.83 H new ATOM 337 N GLY A 23 50.676 15.698 6.537 1.00 40.18 N ATOM 338 CA GLY A 23 52.083 15.329 6.547 1.00 39.97 C ATOM 339 C GLY A 23 52.930 16.173 7.483 1.00 39.91 C ATOM 340 O GLY A 23 54.026 16.596 7.114 1.00 40.37 O ATOM 0 H GLY A 23 50.037 14.942 6.785 1.00 40.18 H new ATOM 0 HA2 GLY A 23 52.173 14.282 6.836 1.00 39.97 H new ATOM 0 HA3 GLY A 23 52.479 15.416 5.535 1.00 39.97 H new ATOM 344 N ASP A 24 52.436 16.424 8.692 1.00 40.44 N ATOM 345 CA ASP A 24 53.183 17.229 9.652 1.00 40.48 C ATOM 346 C ASP A 24 54.001 16.337 10.583 1.00 40.54 C ATOM 347 O ASP A 24 54.870 16.814 11.313 1.00 42.20 O ATOM 348 CB ASP A 24 52.241 18.132 10.454 1.00 40.22 C ATOM 349 CG ASP A 24 51.734 17.480 11.723 1.00 41.08 C ATOM 350 OD1 ASP A 24 50.867 16.589 11.627 1.00 40.17 O ATOM 351 OD2 ASP A 24 52.203 17.866 12.814 1.00 40.88 O ATOM 0 H ASP A 24 51.534 16.087 9.027 1.00 40.44 H new ATOM 0 HA ASP A 24 53.872 17.866 9.098 1.00 40.48 H new ATOM 0 HB2 ASP A 24 52.761 19.055 10.709 1.00 40.22 H new ATOM 0 HB3 ASP A 24 51.391 18.407 9.829 1.00 40.22 H new ATOM 356 N GLY A 25 53.720 15.036 10.547 1.00 40.25 N ATOM 357 CA GLY A 25 54.459 14.094 11.370 1.00 39.76 C ATOM 358 C GLY A 25 53.716 13.659 12.619 1.00 39.58 C ATOM 359 O GLY A 25 54.192 12.795 13.354 1.00 39.24 O ATOM 0 H GLY A 25 52.995 14.619 9.963 1.00 40.25 H new ATOM 0 HA2 GLY A 25 54.696 13.213 10.774 1.00 39.76 H new ATOM 0 HA3 GLY A 25 55.407 14.546 11.661 1.00 39.76 H new ATOM 363 N THR A 26 52.550 14.247 12.867 1.00 39.15 N ATOM 364 CA THR A 26 51.761 13.887 14.040 1.00 38.31 C ATOM 365 C THR A 26 50.335 13.524 13.645 1.00 37.70 C ATOM 366 O THR A 26 49.727 14.179 12.801 1.00 37.16 O ATOM 367 CB THR A 26 51.718 15.022 15.084 1.00 38.93 C ATOM 368 OG1 THR A 26 50.874 16.084 14.629 1.00 40.27 O ATOM 369 CG2 THR A 26 53.113 15.563 15.364 1.00 40.09 C ATOM 0 H THR A 26 52.134 14.968 12.278 1.00 39.15 H new ATOM 0 HA THR A 26 52.252 13.023 14.489 1.00 38.31 H new ATOM 0 HB THR A 26 51.314 14.609 16.008 1.00 38.93 H new ATOM 0 HG1 THR A 26 51.400 16.713 14.093 1.00 40.27 H new ATOM 0 HG21 THR A 26 53.052 16.362 16.103 1.00 40.09 H new ATOM 0 HG22 THR A 26 53.744 14.761 15.747 1.00 40.09 H new ATOM 0 HG23 THR A 26 53.543 15.954 14.442 1.00 40.09 H new ATOM 377 N ILE A 27 49.810 12.472 14.257 1.00 36.85 N ATOM 378 CA ILE A 27 48.457 12.023 13.969 1.00 36.92 C ATOM 379 C ILE A 27 47.513 12.387 15.105 1.00 36.68 C ATOM 380 O ILE A 27 47.642 11.884 16.221 1.00 36.54 O ATOM 381 CB ILE A 27 48.406 10.500 13.739 1.00 37.37 C ATOM 382 CG1 ILE A 27 49.422 10.088 12.673 1.00 36.12 C ATOM 383 CG2 ILE A 27 47.004 10.071 13.331 1.00 39.08 C ATOM 384 CD1 ILE A 27 49.450 8.600 12.410 1.00 36.26 C ATOM 0 H ILE A 27 50.301 11.914 14.956 1.00 36.85 H new ATOM 0 HA ILE A 27 48.140 12.528 13.057 1.00 36.92 H new ATOM 0 HB ILE A 27 48.662 10.000 14.673 1.00 37.37 H new ATOM 0 HG12 ILE A 27 49.193 10.609 11.743 1.00 36.12 H new ATOM 0 HG13 ILE A 27 50.415 10.413 12.984 1.00 36.12 H new ATOM 0 HG21 ILE A 27 46.985 8.993 13.172 1.00 39.08 H new ATOM 0 HG22 ILE A 27 46.299 10.334 14.120 1.00 39.08 H new ATOM 0 HG23 ILE A 27 46.722 10.578 12.408 1.00 39.08 H new ATOM 0 HD11 ILE A 27 50.193 8.380 11.643 1.00 36.26 H new ATOM 0 HD12 ILE A 27 49.709 8.073 13.328 1.00 36.26 H new ATOM 0 HD13 ILE A 27 48.468 8.272 12.068 1.00 36.26 H new ATOM 396 N THR A 28 46.564 13.266 14.812 1.00 36.65 N ATOM 397 CA THR A 28 45.593 13.699 15.805 1.00 36.65 C ATOM 398 C THR A 28 44.370 12.796 15.786 1.00 37.22 C ATOM 399 O THR A 28 44.302 11.850 15.003 1.00 36.70 O ATOM 400 CB THR A 28 45.145 15.150 15.554 1.00 36.66 C ATOM 401 OG1 THR A 28 44.432 15.234 14.314 1.00 35.80 O ATOM 402 CG2 THR A 28 46.342 16.087 15.517 1.00 35.99 C ATOM 0 H THR A 28 46.447 13.693 13.893 1.00 36.65 H new ATOM 0 HA THR A 28 46.079 13.641 16.779 1.00 36.65 H new ATOM 0 HB THR A 28 44.491 15.452 16.372 1.00 36.66 H new ATOM 0 HG1 THR A 28 44.149 16.160 14.162 1.00 35.80 H new ATOM 0 HG21 THR A 28 46.001 17.107 15.338 1.00 35.99 H new ATOM 0 HG22 THR A 28 46.869 16.042 16.470 1.00 35.99 H new ATOM 0 HG23 THR A 28 47.016 15.785 14.716 1.00 35.99 H new ATOM 410 N THR A 29 43.409 13.086 16.656 1.00 37.72 N ATOM 411 CA THR A 29 42.182 12.303 16.725 1.00 38.29 C ATOM 412 C THR A 29 41.332 12.517 15.478 1.00 38.48 C ATOM 413 O THR A 29 40.536 11.659 15.102 1.00 39.63 O ATOM 414 CB THR A 29 41.355 12.659 17.973 1.00 38.42 C ATOM 415 OG1 THR A 29 41.082 14.065 17.998 1.00 38.00 O ATOM 416 CG2 THR A 29 42.093 12.256 19.240 1.00 38.11 C ATOM 0 H THR A 29 43.456 13.857 17.322 1.00 37.72 H new ATOM 0 HA THR A 29 42.474 11.255 16.788 1.00 38.29 H new ATOM 0 HB THR A 29 40.414 12.110 17.928 1.00 38.42 H new ATOM 0 HG1 THR A 29 40.258 14.229 18.503 1.00 38.00 H new ATOM 0 HG21 THR A 29 41.491 12.517 20.110 1.00 38.11 H new ATOM 0 HG22 THR A 29 42.271 11.181 19.231 1.00 38.11 H new ATOM 0 HG23 THR A 29 43.047 12.781 19.288 1.00 38.11 H new ATOM 424 N LYS A 30 41.504 13.675 14.846 1.00 38.59 N ATOM 425 CA LYS A 30 40.766 14.010 13.635 1.00 38.69 C ATOM 426 C LYS A 30 41.252 13.173 12.453 1.00 38.20 C ATOM 427 O LYS A 30 40.451 12.680 11.662 1.00 37.82 O ATOM 428 CB LYS A 30 40.919 15.499 13.320 1.00 38.60 C ATOM 429 CG LYS A 30 40.157 15.943 12.082 1.00 40.03 C ATOM 430 CD LYS A 30 40.352 17.426 11.813 1.00 40.27 C ATOM 431 CE LYS A 30 39.895 18.269 12.992 1.00 42.22 C ATOM 432 NZ LYS A 30 40.090 19.724 12.743 1.00 43.20 N ATOM 0 H LYS A 30 42.152 14.399 15.156 1.00 38.59 H new ATOM 0 HA LYS A 30 39.713 13.787 13.804 1.00 38.69 H new ATOM 0 HB2 LYS A 30 40.574 16.080 14.176 1.00 38.60 H new ATOM 0 HB3 LYS A 30 41.977 15.726 13.186 1.00 38.60 H new ATOM 0 HG2 LYS A 30 40.494 15.368 11.220 1.00 40.03 H new ATOM 0 HG3 LYS A 30 39.096 15.732 12.211 1.00 40.03 H new ATOM 0 HD2 LYS A 30 41.404 17.625 11.608 1.00 40.27 H new ATOM 0 HD3 LYS A 30 39.794 17.712 10.921 1.00 40.27 H new ATOM 0 HE2 LYS A 30 38.842 18.073 13.192 1.00 42.22 H new ATOM 0 HE3 LYS A 30 40.449 17.976 13.884 1.00 42.22 H new ATOM 0 HZ1 LYS A 30 39.766 20.264 13.571 1.00 43.20 H new ATOM 0 HZ2 LYS A 30 41.099 19.916 12.577 1.00 43.20 H new ATOM 0 HZ3 LYS A 30 39.542 20.010 11.907 1.00 43.20 H new ATOM 446 N GLU A 31 42.569 13.010 12.350 1.00 36.69 N ATOM 447 CA GLU A 31 43.166 12.236 11.264 1.00 37.01 C ATOM 448 C GLU A 31 42.957 10.742 11.483 1.00 36.40 C ATOM 449 O GLU A 31 42.601 10.012 10.557 1.00 36.35 O ATOM 450 CB GLU A 31 44.660 12.540 11.158 1.00 36.46 C ATOM 451 CG GLU A 31 44.963 13.997 10.855 1.00 37.31 C ATOM 452 CD GLU A 31 46.444 14.309 10.925 1.00 36.89 C ATOM 453 OE1 GLU A 31 47.130 14.167 9.892 1.00 37.46 O ATOM 454 OE2 GLU A 31 46.916 14.693 12.014 1.00 36.90 O ATOM 0 H GLU A 31 43.244 13.404 13.006 1.00 36.69 H new ATOM 0 HA GLU A 31 42.675 12.522 10.334 1.00 37.01 H new ATOM 0 HB2 GLU A 31 45.146 12.263 12.094 1.00 36.46 H new ATOM 0 HB3 GLU A 31 45.095 11.917 10.376 1.00 36.46 H new ATOM 0 HG2 GLU A 31 44.590 14.243 9.861 1.00 37.31 H new ATOM 0 HG3 GLU A 31 44.428 14.631 11.562 1.00 37.31 H new ATOM 461 N LEU A 32 43.196 10.301 12.714 1.00 36.49 N ATOM 462 CA LEU A 32 43.030 8.899 13.086 1.00 35.83 C ATOM 463 C LEU A 32 41.579 8.459 12.914 1.00 35.31 C ATOM 464 O LEU A 32 41.304 7.352 12.451 1.00 34.73 O ATOM 465 CB LEU A 32 43.468 8.695 14.538 1.00 36.27 C ATOM 466 CG LEU A 32 43.538 7.242 15.006 1.00 37.14 C ATOM 467 CD1 LEU A 32 44.657 6.504 14.290 1.00 37.66 C ATOM 468 CD2 LEU A 32 43.737 7.180 16.513 1.00 37.08 C ATOM 0 H LEU A 32 43.508 10.900 13.478 1.00 36.49 H new ATOM 0 HA LEU A 32 43.652 8.291 12.430 1.00 35.83 H new ATOM 0 HB2 LEU A 32 44.450 9.149 14.670 1.00 36.27 H new ATOM 0 HB3 LEU A 32 42.778 9.235 15.187 1.00 36.27 H new ATOM 0 HG LEU A 32 42.594 6.754 14.761 1.00 37.14 H new ATOM 0 HD11 LEU A 32 44.691 5.471 14.636 1.00 37.66 H new ATOM 0 HD12 LEU A 32 44.475 6.521 13.216 1.00 37.66 H new ATOM 0 HD13 LEU A 32 45.609 6.990 14.504 1.00 37.66 H new ATOM 0 HD21 LEU A 32 43.785 6.139 16.831 1.00 37.08 H new ATOM 0 HD22 LEU A 32 44.667 7.684 16.778 1.00 37.08 H new ATOM 0 HD23 LEU A 32 42.902 7.673 17.011 1.00 37.08 H new ATOM 480 N GLY A 33 40.658 9.341 13.291 1.00 35.01 N ATOM 481 CA GLY A 33 39.241 9.046 13.183 1.00 33.83 C ATOM 482 C GLY A 33 38.738 9.028 11.752 1.00 33.64 C ATOM 483 O GLY A 33 37.787 8.318 11.441 1.00 32.50 O ATOM 0 H GLY A 33 40.871 10.263 13.673 1.00 35.01 H new ATOM 0 HA2 GLY A 33 39.043 8.078 13.642 1.00 33.83 H new ATOM 0 HA3 GLY A 33 38.678 9.788 13.749 1.00 33.83 H new ATOM 487 N THR A 34 39.368 9.818 10.885 1.00 33.02 N ATOM 488 CA THR A 34 38.974 9.892 9.478 1.00 33.25 C ATOM 489 C THR A 34 39.197 8.563 8.758 1.00 33.52 C ATOM 490 O THR A 34 38.358 8.127 7.966 1.00 33.90 O ATOM 491 CB THR A 34 39.748 11.005 8.739 1.00 33.34 C ATOM 492 OG1 THR A 34 39.265 12.290 9.146 1.00 32.87 O ATOM 493 CG2 THR A 34 39.607 10.867 7.230 1.00 33.58 C ATOM 0 H THR A 34 40.155 10.418 11.132 1.00 33.02 H new ATOM 0 HA THR A 34 37.909 10.124 9.464 1.00 33.25 H new ATOM 0 HB THR A 34 40.802 10.908 8.998 1.00 33.34 H new ATOM 0 HG1 THR A 34 39.631 12.513 10.027 1.00 32.87 H new ATOM 0 HG21 THR A 34 40.163 11.665 6.738 1.00 33.58 H new ATOM 0 HG22 THR A 34 40.002 9.901 6.914 1.00 33.58 H new ATOM 0 HG23 THR A 34 38.554 10.935 6.955 1.00 33.58 H new ATOM 501 N VAL A 35 40.321 7.916 9.050 1.00 33.74 N ATOM 502 CA VAL A 35 40.657 6.642 8.424 1.00 34.47 C ATOM 503 C VAL A 35 39.730 5.526 8.900 1.00 35.22 C ATOM 504 O VAL A 35 39.265 4.711 8.105 1.00 34.66 O ATOM 505 CB VAL A 35 42.117 6.247 8.713 1.00 34.36 C ATOM 506 CG1 VAL A 35 42.480 4.958 7.991 1.00 34.96 C ATOM 507 CG2 VAL A 35 43.060 7.372 8.314 1.00 34.94 C ATOM 0 H VAL A 35 41.015 8.253 9.717 1.00 33.74 H new ATOM 0 HA VAL A 35 40.529 6.774 7.350 1.00 34.47 H new ATOM 0 HB VAL A 35 42.221 6.075 9.784 1.00 34.36 H new ATOM 0 HG11 VAL A 35 43.516 4.698 8.209 1.00 34.96 H new ATOM 0 HG12 VAL A 35 41.825 4.155 8.329 1.00 34.96 H new ATOM 0 HG13 VAL A 35 42.360 5.096 6.917 1.00 34.96 H new ATOM 0 HG21 VAL A 35 44.088 7.077 8.525 1.00 34.94 H new ATOM 0 HG22 VAL A 35 42.952 7.577 7.249 1.00 34.94 H new ATOM 0 HG23 VAL A 35 42.816 8.270 8.882 1.00 34.94 H new ATOM 517 N MET A 36 39.465 5.496 10.201 1.00 36.87 N ATOM 518 CA MET A 36 38.596 4.478 10.784 1.00 38.51 C ATOM 519 C MET A 36 37.136 4.688 10.389 1.00 37.81 C ATOM 520 O MET A 36 36.374 3.729 10.281 1.00 37.87 O ATOM 521 CB MET A 36 38.728 4.482 12.304 1.00 39.20 C ATOM 522 CG MET A 36 40.154 4.279 12.779 1.00 40.14 C ATOM 523 SD MET A 36 40.276 4.071 14.562 1.00 43.42 S ATOM 524 CE MET A 36 42.023 3.723 14.728 1.00 42.77 C ATOM 0 H MET A 36 39.839 6.165 10.874 1.00 36.87 H new ATOM 0 HA MET A 36 38.913 3.511 10.393 1.00 38.51 H new ATOM 0 HB2 MET A 36 38.354 5.429 12.693 1.00 39.20 H new ATOM 0 HB3 MET A 36 38.098 3.696 12.719 1.00 39.20 H new ATOM 0 HG2 MET A 36 40.574 3.402 12.287 1.00 40.14 H new ATOM 0 HG3 MET A 36 40.758 5.135 12.476 1.00 40.14 H new ATOM 0 HE1 MET A 36 42.158 2.790 15.276 1.00 42.77 H new ATOM 0 HE2 MET A 36 42.471 3.631 13.739 1.00 42.77 H new ATOM 0 HE3 MET A 36 42.506 4.535 15.271 1.00 42.77 H new ATOM 534 N ARG A 37 36.755 5.942 10.168 1.00 37.31 N ATOM 535 CA ARG A 37 35.383 6.275 9.795 1.00 37.45 C ATOM 536 C ARG A 37 35.066 5.796 8.384 1.00 37.46 C ATOM 537 O ARG A 37 33.939 5.394 8.092 1.00 36.96 O ATOM 538 CB ARG A 37 35.160 7.784 9.882 1.00 37.31 C ATOM 539 CG ARG A 37 33.729 8.171 10.214 1.00 38.30 C ATOM 540 CD ARG A 37 33.443 8.002 11.696 1.00 38.16 C ATOM 541 NE ARG A 37 34.337 8.814 12.515 1.00 37.89 N ATOM 542 CZ ARG A 37 34.063 9.181 13.762 1.00 37.24 C ATOM 543 NH1 ARG A 37 32.930 8.797 14.334 1.00 37.26 N ATOM 544 NH2 ARG A 37 34.924 9.930 14.437 1.00 37.29 N ATOM 0 H ARG A 37 37.378 6.746 10.241 1.00 37.31 H new ATOM 0 HA ARG A 37 34.717 5.768 10.493 1.00 37.45 H new ATOM 0 HB2 ARG A 37 35.824 8.197 10.641 1.00 37.31 H new ATOM 0 HB3 ARG A 37 35.439 8.239 8.932 1.00 37.31 H new ATOM 0 HG2 ARG A 37 33.553 9.207 9.923 1.00 38.30 H new ATOM 0 HG3 ARG A 37 33.040 7.556 9.636 1.00 38.30 H new ATOM 0 HD2 ARG A 37 32.409 8.280 11.901 1.00 38.16 H new ATOM 0 HD3 ARG A 37 33.551 6.953 11.970 1.00 38.16 H new ATOM 0 HE ARG A 37 35.222 9.117 12.107 1.00 37.89 H new ATOM 0 HH11 ARG A 37 32.268 8.219 13.816 1.00 37.26 H new ATOM 0 HH12 ARG A 37 32.721 9.079 15.292 1.00 37.26 H new ATOM 0 HH21 ARG A 37 35.797 10.224 13.999 1.00 37.29 H new ATOM 0 HH22 ARG A 37 34.714 10.212 15.394 1.00 37.29 H new ATOM 558 N SER A 38 36.068 5.841 7.513 1.00 38.01 N ATOM 559 CA SER A 38 35.897 5.420 6.129 1.00 38.53 C ATOM 560 C SER A 38 35.950 3.899 6.003 1.00 39.24 C ATOM 561 O SER A 38 35.542 3.339 4.986 1.00 39.58 O ATOM 562 CB SER A 38 36.965 6.063 5.244 1.00 38.06 C ATOM 563 OG SER A 38 38.266 5.677 5.648 1.00 38.60 O ATOM 0 H SER A 38 37.008 6.165 7.742 1.00 38.01 H new ATOM 0 HA SER A 38 34.914 5.751 5.795 1.00 38.53 H new ATOM 0 HB2 SER A 38 36.803 5.773 4.206 1.00 38.06 H new ATOM 0 HB3 SER A 38 36.874 7.148 5.290 1.00 38.06 H new ATOM 0 HG SER A 38 38.221 5.243 6.525 1.00 38.60 H new ATOM 569 N LEU A 39 36.458 3.235 7.040 1.00 39.72 N ATOM 570 CA LEU A 39 36.556 1.778 7.040 1.00 40.24 C ATOM 571 C LEU A 39 35.285 1.135 7.591 1.00 40.69 C ATOM 572 O LEU A 39 35.236 -0.077 7.804 1.00 41.43 O ATOM 573 CB LEU A 39 37.763 1.324 7.862 1.00 39.98 C ATOM 574 CG LEU A 39 39.122 1.679 7.260 1.00 39.54 C ATOM 575 CD1 LEU A 39 40.247 1.085 8.093 1.00 39.02 C ATOM 576 CD2 LEU A 39 39.206 1.196 5.821 1.00 39.80 C ATOM 0 H LEU A 39 36.807 3.682 7.888 1.00 39.72 H new ATOM 0 HA LEU A 39 36.683 1.456 6.006 1.00 40.24 H new ATOM 0 HB2 LEU A 39 37.695 1.767 8.855 1.00 39.98 H new ATOM 0 HB3 LEU A 39 37.710 0.243 7.991 1.00 39.98 H new ATOM 0 HG LEU A 39 39.231 2.764 7.266 1.00 39.54 H new ATOM 0 HD11 LEU A 39 41.207 1.348 7.649 1.00 39.02 H new ATOM 0 HD12 LEU A 39 40.196 1.480 9.108 1.00 39.02 H new ATOM 0 HD13 LEU A 39 40.146 0.000 8.121 1.00 39.02 H new ATOM 0 HD21 LEU A 39 40.180 1.456 5.406 1.00 39.80 H new ATOM 0 HD22 LEU A 39 39.077 0.114 5.792 1.00 39.80 H new ATOM 0 HD23 LEU A 39 38.422 1.671 5.231 1.00 39.80 H new ATOM 588 N GLY A 40 34.261 1.950 7.817 1.00 40.80 N ATOM 589 CA GLY A 40 33.002 1.437 8.323 1.00 40.94 C ATOM 590 C GLY A 40 32.956 1.342 9.836 1.00 41.15 C ATOM 591 O GLY A 40 32.234 0.511 10.385 1.00 41.29 O ATOM 0 H GLY A 40 34.280 2.957 7.659 1.00 40.80 H new ATOM 0 HA2 GLY A 40 32.192 2.082 7.982 1.00 40.94 H new ATOM 0 HA3 GLY A 40 32.824 0.449 7.899 1.00 40.94 H new ATOM 595 N GLN A 41 33.723 2.188 10.516 1.00 40.74 N ATOM 596 CA GLN A 41 33.750 2.190 11.974 1.00 40.64 C ATOM 597 C GLN A 41 33.381 3.572 12.498 1.00 39.95 C ATOM 598 O GLN A 41 33.475 4.560 11.771 1.00 40.30 O ATOM 599 CB GLN A 41 35.137 1.789 12.483 1.00 41.05 C ATOM 600 CG GLN A 41 35.665 0.505 11.865 1.00 42.28 C ATOM 601 CD GLN A 41 37.108 0.230 12.233 1.00 43.48 C ATOM 602 OE1 GLN A 41 38.030 0.669 11.545 1.00 44.50 O ATOM 603 NE2 GLN A 41 37.312 -0.502 13.321 1.00 43.51 N ATOM 0 H GLN A 41 34.333 2.880 10.081 1.00 40.74 H new ATOM 0 HA GLN A 41 33.023 1.464 12.338 1.00 40.64 H new ATOM 0 HB2 GLN A 41 35.838 2.597 12.276 1.00 41.05 H new ATOM 0 HB3 GLN A 41 35.097 1.671 13.566 1.00 41.05 H new ATOM 0 HG2 GLN A 41 35.046 -0.331 12.190 1.00 42.28 H new ATOM 0 HG3 GLN A 41 35.576 0.565 10.780 1.00 42.28 H new ATOM 0 HE21 GLN A 41 36.518 -0.845 13.861 1.00 43.51 H new ATOM 0 HE22 GLN A 41 38.263 -0.722 13.617 1.00 43.51 H new ATOM 612 N ASN A 42 32.960 3.646 13.757 1.00 38.89 N ATOM 613 CA ASN A 42 32.573 4.924 14.350 1.00 38.62 C ATOM 614 C ASN A 42 33.204 5.132 15.725 1.00 37.79 C ATOM 615 O ASN A 42 32.526 5.023 16.747 1.00 37.47 O ATOM 616 CB ASN A 42 31.050 5.022 14.462 1.00 38.83 C ATOM 617 CG ASN A 42 30.371 5.110 13.109 1.00 39.74 C ATOM 618 OD1 ASN A 42 29.986 4.096 12.527 1.00 42.02 O ATOM 619 ND2 ASN A 42 30.224 6.328 12.600 1.00 39.08 N ATOM 0 H ASN A 42 32.878 2.844 14.382 1.00 38.89 H new ATOM 0 HA ASN A 42 32.942 5.709 13.690 1.00 38.62 H new ATOM 0 HB2 ASN A 42 30.672 4.152 14.998 1.00 38.83 H new ATOM 0 HB3 ASN A 42 30.788 5.899 15.054 1.00 38.83 H new ATOM 0 HD21 ASN A 42 29.777 6.451 11.692 1.00 39.08 H new ATOM 0 HD22 ASN A 42 30.558 7.141 13.118 1.00 39.08 H new ATOM 626 N PRO A 43 34.514 5.428 15.770 1.00 37.05 N ATOM 627 CA PRO A 43 35.222 5.667 17.025 1.00 36.85 C ATOM 628 C PRO A 43 35.043 7.104 17.511 1.00 36.25 C ATOM 629 O PRO A 43 35.206 8.052 16.744 1.00 37.35 O ATOM 630 CB PRO A 43 36.676 5.398 16.648 1.00 36.82 C ATOM 631 CG PRO A 43 36.772 5.769 15.205 1.00 36.35 C ATOM 632 CD PRO A 43 35.407 5.546 14.602 1.00 37.52 C ATOM 0 HA PRO A 43 34.858 5.044 17.842 1.00 36.85 H new ATOM 0 HB2 PRO A 43 37.358 5.993 17.255 1.00 36.82 H new ATOM 0 HB3 PRO A 43 36.938 4.352 16.806 1.00 36.82 H new ATOM 0 HG2 PRO A 43 37.078 6.809 15.094 1.00 36.35 H new ATOM 0 HG3 PRO A 43 37.522 5.160 14.699 1.00 36.35 H new ATOM 0 HD2 PRO A 43 35.115 6.376 13.959 1.00 37.52 H new ATOM 0 HD3 PRO A 43 35.384 4.645 13.990 1.00 37.52 H new ATOM 640 N THR A 44 34.704 7.266 18.785 1.00 35.57 N ATOM 641 CA THR A 44 34.491 8.593 19.352 1.00 34.63 C ATOM 642 C THR A 44 35.804 9.251 19.759 1.00 34.39 C ATOM 643 O THR A 44 36.866 8.638 19.679 1.00 33.80 O ATOM 644 CB THR A 44 33.564 8.535 20.579 1.00 34.98 C ATOM 645 OG1 THR A 44 34.198 7.809 21.639 1.00 32.73 O ATOM 646 CG2 THR A 44 32.241 7.873 20.226 1.00 33.98 C ATOM 0 H THR A 44 34.571 6.498 19.443 1.00 35.57 H new ATOM 0 HA THR A 44 34.022 9.190 18.570 1.00 34.63 H new ATOM 0 HB THR A 44 33.366 9.556 20.906 1.00 34.98 H new ATOM 0 HG1 THR A 44 33.602 7.778 22.416 1.00 32.73 H new ATOM 0 HG21 THR A 44 31.602 7.843 21.109 1.00 33.98 H new ATOM 0 HG22 THR A 44 31.747 8.444 19.440 1.00 33.98 H new ATOM 0 HG23 THR A 44 32.424 6.857 19.876 1.00 33.98 H new ATOM 654 N GLU A 45 35.712 10.513 20.174 1.00 34.04 N ATOM 655 CA GLU A 45 36.874 11.286 20.613 1.00 34.16 C ATOM 656 C GLU A 45 37.644 10.571 21.725 1.00 33.66 C ATOM 657 O GLU A 45 38.871 10.496 21.689 1.00 33.02 O ATOM 658 CB GLU A 45 36.420 12.667 21.095 1.00 34.60 C ATOM 659 CG GLU A 45 37.519 13.490 21.749 1.00 35.67 C ATOM 660 CD GLU A 45 38.648 13.826 20.796 1.00 36.68 C ATOM 661 OE1 GLU A 45 38.364 14.352 19.699 1.00 38.35 O ATOM 662 OE2 GLU A 45 39.817 13.568 21.149 1.00 37.97 O ATOM 0 H GLU A 45 34.833 11.028 20.216 1.00 34.04 H new ATOM 0 HA GLU A 45 37.548 11.394 19.763 1.00 34.16 H new ATOM 0 HB2 GLU A 45 36.021 13.223 20.246 1.00 34.60 H new ATOM 0 HB3 GLU A 45 35.603 12.541 21.806 1.00 34.60 H new ATOM 0 HG2 GLU A 45 37.092 14.414 22.139 1.00 35.67 H new ATOM 0 HG3 GLU A 45 37.920 12.940 22.601 1.00 35.67 H new ATOM 669 N ALA A 46 36.914 10.048 22.709 1.00 33.09 N ATOM 670 CA ALA A 46 37.527 9.339 23.831 1.00 32.64 C ATOM 671 C ALA A 46 38.188 8.037 23.382 1.00 32.49 C ATOM 672 O ALA A 46 39.229 7.648 23.910 1.00 30.99 O ATOM 673 CB ALA A 46 36.487 9.058 24.904 1.00 32.72 C ATOM 0 H ALA A 46 35.896 10.102 22.752 1.00 33.09 H new ATOM 0 HA ALA A 46 38.306 9.980 24.244 1.00 32.64 H new ATOM 0 HB1 ALA A 46 36.955 8.530 25.735 1.00 32.72 H new ATOM 0 HB2 ALA A 46 36.070 9.999 25.262 1.00 32.72 H new ATOM 0 HB3 ALA A 46 35.690 8.443 24.486 1.00 32.72 H new ATOM 679 N GLU A 47 37.578 7.376 22.405 1.00 32.90 N ATOM 680 CA GLU A 47 38.104 6.118 21.884 1.00 33.12 C ATOM 681 C GLU A 47 39.404 6.347 21.122 1.00 33.61 C ATOM 682 O GLU A 47 40.378 5.619 21.305 1.00 34.19 O ATOM 683 CB GLU A 47 37.083 5.441 20.969 1.00 33.13 C ATOM 684 CG GLU A 47 35.898 4.847 21.711 1.00 32.61 C ATOM 685 CD GLU A 47 34.956 4.095 20.792 1.00 34.29 C ATOM 686 OE1 GLU A 47 35.267 2.938 20.440 1.00 35.62 O ATOM 687 OE2 GLU A 47 33.908 4.664 20.421 1.00 34.32 O ATOM 0 H GLU A 47 36.717 7.690 21.957 1.00 32.90 H new ATOM 0 HA GLU A 47 38.305 5.466 22.734 1.00 33.12 H new ATOM 0 HB2 GLU A 47 36.719 6.169 20.244 1.00 33.13 H new ATOM 0 HB3 GLU A 47 37.580 4.652 20.405 1.00 33.13 H new ATOM 0 HG2 GLU A 47 36.260 4.172 22.486 1.00 32.61 H new ATOM 0 HG3 GLU A 47 35.351 5.645 22.213 1.00 32.61 H new ATOM 694 N LEU A 48 39.406 7.372 20.275 1.00 34.08 N ATOM 695 CA LEU A 48 40.570 7.717 19.467 1.00 34.41 C ATOM 696 C LEU A 48 41.736 8.186 20.330 1.00 34.48 C ATOM 697 O LEU A 48 42.895 7.929 20.008 1.00 34.64 O ATOM 698 CB LEU A 48 40.200 8.806 18.462 1.00 35.09 C ATOM 699 CG LEU A 48 39.180 8.382 17.407 1.00 34.89 C ATOM 700 CD1 LEU A 48 38.587 9.599 16.718 1.00 35.26 C ATOM 701 CD2 LEU A 48 39.828 7.453 16.394 1.00 33.12 C ATOM 0 H LEU A 48 38.603 7.985 20.130 1.00 34.08 H new ATOM 0 HA LEU A 48 40.886 6.818 18.937 1.00 34.41 H new ATOM 0 HB2 LEU A 48 39.804 9.664 19.006 1.00 35.09 H new ATOM 0 HB3 LEU A 48 41.107 9.139 17.957 1.00 35.09 H new ATOM 0 HG LEU A 48 38.371 7.844 17.901 1.00 34.89 H new ATOM 0 HD11 LEU A 48 37.863 9.277 15.970 1.00 35.26 H new ATOM 0 HD12 LEU A 48 38.091 10.229 17.456 1.00 35.26 H new ATOM 0 HD13 LEU A 48 39.382 10.166 16.233 1.00 35.26 H new ATOM 0 HD21 LEU A 48 39.091 7.158 15.647 1.00 33.12 H new ATOM 0 HD22 LEU A 48 40.654 7.968 15.904 1.00 33.12 H new ATOM 0 HD23 LEU A 48 40.204 6.566 16.903 1.00 33.12 H new ATOM 713 N GLN A 49 41.421 8.879 21.420 1.00 35.64 N ATOM 714 CA GLN A 49 42.444 9.387 22.325 1.00 36.18 C ATOM 715 C GLN A 49 43.190 8.244 23.008 1.00 35.88 C ATOM 716 O GLN A 49 44.411 8.290 23.144 1.00 35.69 O ATOM 717 CB GLN A 49 41.816 10.303 23.376 1.00 37.33 C ATOM 718 CG GLN A 49 42.835 11.078 24.197 1.00 37.93 C ATOM 719 CD GLN A 49 43.692 11.999 23.349 1.00 37.91 C ATOM 720 OE1 GLN A 49 43.330 13.149 23.101 1.00 37.79 O ATOM 721 NE2 GLN A 49 44.841 11.499 22.904 1.00 38.06 N ATOM 0 H GLN A 49 40.465 9.101 21.697 1.00 35.64 H new ATOM 0 HA GLN A 49 43.160 9.959 21.735 1.00 36.18 H new ATOM 0 HB2 GLN A 49 41.150 11.009 22.879 1.00 37.33 H new ATOM 0 HB3 GLN A 49 41.201 9.703 24.048 1.00 37.33 H new ATOM 0 HG2 GLN A 49 42.315 11.666 24.953 1.00 37.93 H new ATOM 0 HG3 GLN A 49 43.478 10.376 24.727 1.00 37.93 H new ATOM 0 HE21 GLN A 49 45.103 10.540 23.133 1.00 38.06 H new ATOM 0 HE22 GLN A 49 45.461 12.074 22.334 1.00 38.06 H new ATOM 730 N ASP A 50 42.446 7.226 23.440 1.00 34.92 N ATOM 731 CA ASP A 50 43.036 6.063 24.103 1.00 34.97 C ATOM 732 C ASP A 50 44.056 5.363 23.208 1.00 34.96 C ATOM 733 O ASP A 50 45.080 4.883 23.688 1.00 34.39 O ATOM 734 CB ASP A 50 41.947 5.071 24.513 1.00 34.52 C ATOM 735 CG ASP A 50 41.063 5.605 25.621 1.00 34.49 C ATOM 736 OD1 ASP A 50 41.588 6.303 26.514 1.00 33.39 O ATOM 737 OD2 ASP A 50 39.846 5.327 25.595 1.00 31.35 O ATOM 0 H ASP A 50 41.432 7.183 23.342 1.00 34.92 H new ATOM 0 HA ASP A 50 43.552 6.423 24.993 1.00 34.97 H new ATOM 0 HB2 ASP A 50 41.332 4.832 23.645 1.00 34.52 H new ATOM 0 HB3 ASP A 50 42.412 4.141 24.840 1.00 34.52 H new ATOM 742 N MET A 51 43.769 5.312 21.910 1.00 36.53 N ATOM 743 CA MET A 51 44.662 4.673 20.946 1.00 36.62 C ATOM 744 C MET A 51 45.986 5.425 20.845 1.00 37.93 C ATOM 745 O MET A 51 47.051 4.818 20.733 1.00 38.87 O ATOM 746 CB MET A 51 43.997 4.619 19.571 1.00 36.81 C ATOM 747 CG MET A 51 42.577 4.082 19.602 1.00 36.16 C ATOM 748 SD MET A 51 41.676 4.433 18.082 1.00 36.98 S ATOM 749 CE MET A 51 40.037 3.853 18.508 1.00 37.17 C ATOM 0 H MET A 51 42.923 5.707 21.500 1.00 36.53 H new ATOM 0 HA MET A 51 44.864 3.660 21.293 1.00 36.62 H new ATOM 0 HB2 MET A 51 43.988 5.621 19.142 1.00 36.81 H new ATOM 0 HB3 MET A 51 44.598 3.994 18.910 1.00 36.81 H new ATOM 0 HG2 MET A 51 42.603 3.005 19.765 1.00 36.16 H new ATOM 0 HG3 MET A 51 42.044 4.520 20.446 1.00 36.16 H new ATOM 0 HE1 MET A 51 39.598 3.342 17.651 1.00 37.17 H new ATOM 0 HE2 MET A 51 40.103 3.162 19.349 1.00 37.17 H new ATOM 0 HE3 MET A 51 39.411 4.702 18.784 1.00 37.17 H new ATOM 759 N ILE A 52 45.903 6.751 20.883 1.00 38.10 N ATOM 760 CA ILE A 52 47.081 7.604 20.794 1.00 38.32 C ATOM 761 C ILE A 52 47.937 7.517 22.057 1.00 37.53 C ATOM 762 O ILE A 52 49.163 7.455 21.980 1.00 38.23 O ATOM 763 CB ILE A 52 46.680 9.074 20.563 1.00 38.57 C ATOM 764 CG1 ILE A 52 45.847 9.204 19.289 1.00 38.30 C ATOM 765 CG2 ILE A 52 47.913 9.957 20.485 1.00 39.79 C ATOM 766 CD1 ILE A 52 45.506 10.635 18.936 1.00 37.91 C ATOM 0 H ILE A 52 45.024 7.261 20.976 1.00 38.10 H new ATOM 0 HA ILE A 52 47.665 7.246 19.946 1.00 38.32 H new ATOM 0 HB ILE A 52 46.075 9.404 21.408 1.00 38.57 H new ATOM 0 HG12 ILE A 52 46.393 8.753 18.460 1.00 38.30 H new ATOM 0 HG13 ILE A 52 44.924 8.637 19.408 1.00 38.30 H new ATOM 0 HG21 ILE A 52 47.610 10.991 20.322 1.00 39.79 H new ATOM 0 HG22 ILE A 52 48.471 9.886 21.418 1.00 39.79 H new ATOM 0 HG23 ILE A 52 48.544 9.629 19.659 1.00 39.79 H new ATOM 0 HD11 ILE A 52 44.914 10.653 18.021 1.00 37.91 H new ATOM 0 HD12 ILE A 52 44.933 11.083 19.748 1.00 37.91 H new ATOM 0 HD13 ILE A 52 46.425 11.201 18.784 1.00 37.91 H new ATOM 778 N ASN A 53 47.280 7.508 23.214 1.00 36.55 N ATOM 779 CA ASN A 53 47.970 7.440 24.502 1.00 36.05 C ATOM 780 C ASN A 53 48.730 6.126 24.677 1.00 37.24 C ATOM 781 O ASN A 53 49.747 6.081 25.369 1.00 37.82 O ATOM 782 CB ASN A 53 46.972 7.615 25.647 1.00 35.70 C ATOM 783 CG ASN A 53 46.326 8.986 25.645 1.00 32.48 C ATOM 784 OD1 ASN A 53 46.921 9.966 25.196 1.00 30.11 O ATOM 785 ND2 ASN A 53 45.100 9.063 26.151 1.00 32.14 N ATOM 0 H ASN A 53 46.263 7.547 23.287 1.00 36.55 H new ATOM 0 HA ASN A 53 48.698 8.251 24.522 1.00 36.05 H new ATOM 0 HB2 ASN A 53 46.198 6.851 25.571 1.00 35.70 H new ATOM 0 HB3 ASN A 53 47.482 7.458 26.597 1.00 35.70 H new ATOM 0 HD21 ASN A 53 44.615 9.960 26.178 1.00 32.14 H new ATOM 0 HD22 ASN A 53 44.644 8.225 26.512 1.00 32.14 H new ATOM 792 N GLU A 54 48.226 5.061 24.057 1.00 37.70 N ATOM 793 CA GLU A 54 48.858 3.746 24.146 1.00 38.21 C ATOM 794 C GLU A 54 50.260 3.750 23.542 1.00 37.68 C ATOM 795 O GLU A 54 51.152 3.052 24.024 1.00 37.29 O ATOM 796 CB GLU A 54 47.998 2.694 23.442 1.00 38.54 C ATOM 797 CG GLU A 54 46.760 2.293 24.226 1.00 41.18 C ATOM 798 CD GLU A 54 45.878 1.324 23.464 1.00 42.35 C ATOM 799 OE1 GLU A 54 46.105 0.101 23.576 1.00 45.46 O ATOM 800 OE2 GLU A 54 44.958 1.787 22.758 1.00 44.36 O ATOM 0 H GLU A 54 47.381 5.083 23.487 1.00 37.70 H new ATOM 0 HA GLU A 54 48.946 3.498 25.204 1.00 38.21 H new ATOM 0 HB2 GLU A 54 47.692 3.079 22.469 1.00 38.54 H new ATOM 0 HB3 GLU A 54 48.604 1.807 23.257 1.00 38.54 H new ATOM 0 HG2 GLU A 54 47.063 1.839 25.169 1.00 41.18 H new ATOM 0 HG3 GLU A 54 46.185 3.186 24.472 1.00 41.18 H new ATOM 807 N VAL A 55 50.454 4.540 22.491 1.00 37.14 N ATOM 808 CA VAL A 55 51.749 4.613 21.824 1.00 36.52 C ATOM 809 C VAL A 55 52.443 5.949 22.069 1.00 37.34 C ATOM 810 O VAL A 55 53.469 6.237 21.457 1.00 36.52 O ATOM 811 CB VAL A 55 51.606 4.397 20.306 1.00 36.60 C ATOM 812 CG1 VAL A 55 51.001 3.034 20.017 1.00 33.58 C ATOM 813 CG2 VAL A 55 50.768 5.504 19.685 1.00 34.86 C ATOM 0 H VAL A 55 49.734 5.137 22.084 1.00 37.14 H new ATOM 0 HA VAL A 55 52.359 3.817 22.251 1.00 36.52 H new ATOM 0 HB VAL A 55 52.599 4.431 19.857 1.00 36.60 H new ATOM 0 HG11 VAL A 55 50.907 2.899 18.940 1.00 33.58 H new ATOM 0 HG12 VAL A 55 51.645 2.256 20.426 1.00 33.58 H new ATOM 0 HG13 VAL A 55 50.015 2.968 20.478 1.00 33.58 H new ATOM 0 HG21 VAL A 55 50.678 5.334 18.612 1.00 34.86 H new ATOM 0 HG22 VAL A 55 49.776 5.506 20.136 1.00 34.86 H new ATOM 0 HG23 VAL A 55 51.249 6.466 19.861 1.00 34.86 H new ATOM 823 N ASP A 56 51.889 6.756 22.970 1.00 37.32 N ATOM 824 CA ASP A 56 52.465 8.062 23.287 1.00 38.42 C ATOM 825 C ASP A 56 53.729 7.918 24.127 1.00 39.56 C ATOM 826 O ASP A 56 53.666 7.841 25.354 1.00 40.95 O ATOM 827 CB ASP A 56 51.450 8.934 24.027 1.00 38.09 C ATOM 828 CG ASP A 56 50.976 10.104 23.188 1.00 37.42 C ATOM 829 OD1 ASP A 56 51.816 10.712 22.491 1.00 32.06 O ATOM 830 OD2 ASP A 56 49.768 10.414 23.231 1.00 33.10 O ATOM 0 H ASP A 56 51.043 6.530 23.493 1.00 37.32 H new ATOM 0 HA ASP A 56 52.728 8.543 22.345 1.00 38.42 H new ATOM 0 HB2 ASP A 56 50.593 8.325 24.315 1.00 38.09 H new ATOM 0 HB3 ASP A 56 51.898 9.308 24.947 1.00 38.09 H new ATOM 835 N ALA A 57 54.875 7.871 23.452 1.00 40.42 N ATOM 836 CA ALA A 57 56.160 7.733 24.126 1.00 41.34 C ATOM 837 C ALA A 57 56.528 9.004 24.883 1.00 42.66 C ATOM 838 O ALA A 57 56.948 8.948 26.039 1.00 43.37 O ATOM 839 CB ALA A 57 57.245 7.386 23.118 1.00 41.58 C ATOM 0 H ALA A 57 54.938 7.927 22.435 1.00 40.42 H new ATOM 0 HA ALA A 57 56.076 6.924 24.852 1.00 41.34 H new ATOM 0 HB1 ALA A 57 58.201 7.285 23.632 1.00 41.58 H new ATOM 0 HB2 ALA A 57 56.997 6.446 22.626 1.00 41.58 H new ATOM 0 HB3 ALA A 57 57.316 8.178 22.373 1.00 41.58 H new ATOM 845 N ASP A 58 56.368 10.150 24.228 1.00 43.61 N ATOM 846 CA ASP A 58 56.689 11.429 24.850 1.00 43.88 C ATOM 847 C ASP A 58 55.446 12.084 25.449 1.00 43.75 C ATOM 848 O ASP A 58 55.548 13.077 26.169 1.00 44.76 O ATOM 849 CB ASP A 58 57.341 12.365 23.830 1.00 44.21 C ATOM 850 CG ASP A 58 56.820 12.143 22.425 1.00 44.41 C ATOM 851 OD1 ASP A 58 55.676 12.552 22.145 1.00 43.39 O ATOM 852 OD2 ASP A 58 57.558 11.559 21.603 1.00 43.05 O ATOM 0 H ASP A 58 56.020 10.219 23.272 1.00 43.61 H new ATOM 0 HA ASP A 58 57.392 11.240 25.661 1.00 43.88 H new ATOM 0 HB2 ASP A 58 57.159 13.399 24.122 1.00 44.21 H new ATOM 0 HB3 ASP A 58 58.421 12.215 23.842 1.00 44.21 H new ATOM 857 N GLY A 59 54.276 11.520 25.153 1.00 43.52 N ATOM 858 CA GLY A 59 53.035 12.054 25.689 1.00 42.66 C ATOM 859 C GLY A 59 52.675 13.423 25.136 1.00 42.02 C ATOM 860 O GLY A 59 52.117 14.254 25.853 1.00 42.48 O ATOM 0 H GLY A 59 54.166 10.703 24.552 1.00 43.52 H new ATOM 0 HA2 GLY A 59 52.225 11.358 25.470 1.00 42.66 H new ATOM 0 HA3 GLY A 59 53.115 12.119 26.774 1.00 42.66 H new ATOM 864 N ASP A 60 52.992 13.667 23.866 1.00 41.34 N ATOM 865 CA ASP A 60 52.696 14.957 23.244 1.00 40.92 C ATOM 866 C ASP A 60 51.227 15.061 22.823 1.00 40.19 C ATOM 867 O ASP A 60 50.776 16.117 22.379 1.00 40.93 O ATOM 868 CB ASP A 60 53.620 15.210 22.046 1.00 40.78 C ATOM 869 CG ASP A 60 53.371 14.271 20.879 1.00 41.91 C ATOM 870 OD1 ASP A 60 52.922 13.131 21.110 1.00 40.59 O ATOM 871 OD2 ASP A 60 53.642 14.678 19.730 1.00 42.55 O ATOM 0 H ASP A 60 53.450 12.995 23.251 1.00 41.34 H new ATOM 0 HA ASP A 60 52.879 15.728 23.993 1.00 40.92 H new ATOM 0 HB2 ASP A 60 53.491 16.238 21.708 1.00 40.78 H new ATOM 0 HB3 ASP A 60 54.656 15.109 22.369 1.00 40.78 H new ATOM 876 N GLY A 61 50.486 13.964 22.962 1.00 39.46 N ATOM 877 CA GLY A 61 49.074 13.970 22.615 1.00 38.57 C ATOM 878 C GLY A 61 48.787 13.502 21.199 1.00 37.16 C ATOM 879 O GLY A 61 47.630 13.284 20.842 1.00 36.39 O ATOM 0 H GLY A 61 50.838 13.071 23.309 1.00 39.46 H new ATOM 0 HA2 GLY A 61 48.535 13.331 23.315 1.00 38.57 H new ATOM 0 HA3 GLY A 61 48.683 14.980 22.740 1.00 38.57 H new ATOM 883 N THR A 62 49.829 13.349 20.388 1.00 37.02 N ATOM 884 CA THR A 62 49.655 12.903 19.009 1.00 36.43 C ATOM 885 C THR A 62 50.544 11.706 18.699 1.00 36.64 C ATOM 886 O THR A 62 51.380 11.315 19.510 1.00 36.69 O ATOM 887 CB THR A 62 49.962 14.029 18.004 1.00 36.72 C ATOM 888 OG1 THR A 62 51.263 14.567 18.254 1.00 36.97 O ATOM 889 CG2 THR A 62 48.925 15.137 18.092 1.00 37.42 C ATOM 0 H THR A 62 50.796 13.526 20.659 1.00 37.02 H new ATOM 0 HA THR A 62 48.609 12.613 18.906 1.00 36.43 H new ATOM 0 HB THR A 62 49.930 13.605 17.000 1.00 36.72 H new ATOM 0 HG1 THR A 62 51.311 15.482 17.906 1.00 36.97 H new ATOM 0 HG21 THR A 62 49.166 15.919 17.372 1.00 37.42 H new ATOM 0 HG22 THR A 62 47.938 14.730 17.870 1.00 37.42 H new ATOM 0 HG23 THR A 62 48.926 15.557 19.098 1.00 37.42 H new ATOM 897 N ILE A 63 50.355 11.124 17.519 1.00 36.87 N ATOM 898 CA ILE A 63 51.138 9.967 17.105 1.00 37.34 C ATOM 899 C ILE A 63 52.258 10.373 16.155 1.00 37.01 C ATOM 900 O ILE A 63 52.006 10.777 15.021 1.00 37.29 O ATOM 901 CB ILE A 63 50.257 8.914 16.407 1.00 37.22 C ATOM 902 CG1 ILE A 63 49.005 8.630 17.235 1.00 38.58 C ATOM 903 CG2 ILE A 63 51.043 7.632 16.176 1.00 38.31 C ATOM 904 CD1 ILE A 63 48.025 7.706 16.548 1.00 38.42 C ATOM 0 H ILE A 63 49.667 11.435 16.834 1.00 36.87 H new ATOM 0 HA ILE A 63 51.566 9.536 18.010 1.00 37.34 H new ATOM 0 HB ILE A 63 49.948 9.310 15.439 1.00 37.22 H new ATOM 0 HG12 ILE A 63 49.301 8.190 18.187 1.00 38.58 H new ATOM 0 HG13 ILE A 63 48.507 9.573 17.461 1.00 38.58 H new ATOM 0 HG21 ILE A 63 50.406 6.899 15.682 1.00 38.31 H new ATOM 0 HG22 ILE A 63 51.908 7.844 15.547 1.00 38.31 H new ATOM 0 HG23 ILE A 63 51.379 7.234 17.133 1.00 38.31 H new ATOM 0 HD11 ILE A 63 47.160 7.548 17.193 1.00 38.42 H new ATOM 0 HD12 ILE A 63 47.700 8.153 15.609 1.00 38.42 H new ATOM 0 HD13 ILE A 63 48.507 6.749 16.347 1.00 38.42 H new ATOM 916 N ASP A 64 53.495 10.254 16.617 1.00 36.72 N ATOM 917 CA ASP A 64 54.647 10.606 15.798 1.00 36.99 C ATOM 918 C ASP A 64 55.037 9.442 14.895 1.00 36.34 C ATOM 919 O ASP A 64 54.349 8.423 14.856 1.00 36.47 O ATOM 920 CB ASP A 64 55.828 11.005 16.684 1.00 38.11 C ATOM 921 CG ASP A 64 55.522 12.220 17.537 1.00 37.77 C ATOM 922 OD1 ASP A 64 55.561 13.347 17.000 1.00 42.25 O ATOM 923 OD2 ASP A 64 55.242 12.046 18.741 1.00 41.54 O ATOM 0 H ASP A 64 53.726 9.917 17.552 1.00 36.72 H new ATOM 0 HA ASP A 64 54.376 11.456 15.171 1.00 36.99 H new ATOM 0 HB2 ASP A 64 56.094 10.168 17.330 1.00 38.11 H new ATOM 0 HB3 ASP A 64 56.696 11.213 16.058 1.00 38.11 H new ATOM 928 N PHE A 65 56.136 9.601 14.163 1.00 35.64 N ATOM 929 CA PHE A 65 56.609 8.554 13.262 1.00 34.91 C ATOM 930 C PHE A 65 57.011 7.285 14.025 1.00 34.59 C ATOM 931 O PHE A 65 56.512 6.205 13.713 1.00 34.64 O ATOM 932 CB PHE A 65 57.772 9.055 12.399 1.00 35.79 C ATOM 933 CG PHE A 65 58.224 8.056 11.371 1.00 34.05 C ATOM 934 CD1 PHE A 65 57.388 7.690 10.328 1.00 36.05 C ATOM 935 CD2 PHE A 65 59.482 7.481 11.450 1.00 35.57 C ATOM 936 CE1 PHE A 65 57.798 6.770 9.383 1.00 37.01 C ATOM 937 CE2 PHE A 65 59.898 6.559 10.507 1.00 36.14 C ATOM 938 CZ PHE A 65 59.055 6.203 9.472 1.00 36.25 C ATOM 0 H PHE A 65 56.714 10.441 14.176 1.00 35.64 H new ATOM 0 HA PHE A 65 55.778 8.295 12.605 1.00 34.91 H new ATOM 0 HB2 PHE A 65 57.472 9.974 11.895 1.00 35.79 H new ATOM 0 HB3 PHE A 65 58.613 9.306 13.045 1.00 35.79 H new ATOM 0 HD1 PHE A 65 56.404 8.129 10.253 1.00 36.05 H new ATOM 0 HD2 PHE A 65 60.145 7.756 12.257 1.00 35.57 H new ATOM 0 HE1 PHE A 65 57.137 6.494 8.575 1.00 37.01 H new ATOM 0 HE2 PHE A 65 60.881 6.118 10.580 1.00 36.14 H new ATOM 0 HZ PHE A 65 59.378 5.483 8.734 1.00 36.25 H new ATOM 948 N PRO A 66 57.915 7.380 15.034 1.00 34.27 N ATOM 949 CA PRO A 66 58.342 6.209 15.815 1.00 33.71 C ATOM 950 C PRO A 66 57.197 5.589 16.611 1.00 32.82 C ATOM 951 O PRO A 66 57.164 4.377 16.824 1.00 30.36 O ATOM 952 CB PRO A 66 59.409 6.768 16.763 1.00 34.38 C ATOM 953 CG PRO A 66 59.134 8.229 16.835 1.00 33.92 C ATOM 954 CD PRO A 66 58.597 8.610 15.486 1.00 34.65 C ATOM 0 HA PRO A 66 58.707 5.410 15.170 1.00 33.71 H new ATOM 0 HB2 PRO A 66 59.343 6.305 17.748 1.00 34.38 H new ATOM 0 HB3 PRO A 66 60.413 6.574 16.386 1.00 34.38 H new ATOM 0 HG2 PRO A 66 58.413 8.453 17.621 1.00 33.92 H new ATOM 0 HG3 PRO A 66 60.041 8.787 17.067 1.00 33.92 H new ATOM 0 HD2 PRO A 66 57.908 9.452 15.550 1.00 34.65 H new ATOM 0 HD3 PRO A 66 59.395 8.902 14.803 1.00 34.65 H new ATOM 962 N GLU A 67 56.264 6.430 17.054 1.00 32.82 N ATOM 963 CA GLU A 67 55.111 5.968 17.820 1.00 33.59 C ATOM 964 C GLU A 67 54.173 5.140 16.949 1.00 34.33 C ATOM 965 O GLU A 67 53.512 4.220 17.430 1.00 35.02 O ATOM 966 CB GLU A 67 54.355 7.158 18.408 1.00 33.68 C ATOM 967 CG GLU A 67 55.207 8.043 19.302 1.00 33.67 C ATOM 968 CD GLU A 67 54.381 9.055 20.068 1.00 34.15 C ATOM 969 OE1 GLU A 67 53.145 9.062 19.897 1.00 36.30 O ATOM 970 OE2 GLU A 67 54.969 9.839 20.842 1.00 33.60 O ATOM 0 H GLU A 67 56.286 7.437 16.894 1.00 32.82 H new ATOM 0 HA GLU A 67 55.476 5.338 18.631 1.00 33.59 H new ATOM 0 HB2 GLU A 67 53.953 7.760 17.593 1.00 33.68 H new ATOM 0 HB3 GLU A 67 53.505 6.789 18.981 1.00 33.68 H new ATOM 0 HG2 GLU A 67 55.758 7.420 20.006 1.00 33.67 H new ATOM 0 HG3 GLU A 67 55.945 8.566 18.694 1.00 33.67 H new ATOM 977 N PHE A 68 54.121 5.477 15.663 1.00 35.17 N ATOM 978 CA PHE A 68 53.269 4.769 14.717 1.00 34.38 C ATOM 979 C PHE A 68 53.854 3.404 14.377 1.00 34.21 C ATOM 980 O PHE A 68 53.117 2.446 14.144 1.00 33.00 O ATOM 981 CB PHE A 68 53.085 5.594 13.443 1.00 35.01 C ATOM 982 CG PHE A 68 51.951 5.117 12.583 1.00 35.75 C ATOM 983 CD1 PHE A 68 50.653 5.119 13.065 1.00 35.01 C ATOM 984 CD2 PHE A 68 52.183 4.667 11.294 1.00 35.10 C ATOM 985 CE1 PHE A 68 49.606 4.682 12.278 1.00 35.92 C ATOM 986 CE2 PHE A 68 51.140 4.229 10.502 1.00 36.39 C ATOM 987 CZ PHE A 68 49.850 4.236 10.994 1.00 34.72 C ATOM 0 H PHE A 68 54.661 6.239 15.253 1.00 35.17 H new ATOM 0 HA PHE A 68 52.295 4.620 15.184 1.00 34.38 H new ATOM 0 HB2 PHE A 68 52.912 6.635 13.715 1.00 35.01 H new ATOM 0 HB3 PHE A 68 54.008 5.565 12.864 1.00 35.01 H new ATOM 0 HD1 PHE A 68 50.457 5.467 14.069 1.00 35.01 H new ATOM 0 HD2 PHE A 68 53.190 4.659 10.904 1.00 35.10 H new ATOM 0 HE1 PHE A 68 48.598 4.689 12.666 1.00 35.92 H new ATOM 0 HE2 PHE A 68 51.333 3.881 9.498 1.00 36.39 H new ATOM 0 HZ PHE A 68 49.033 3.893 10.376 1.00 34.72 H new ATOM 997 N LEU A 69 55.184 3.328 14.335 1.00 33.78 N ATOM 998 CA LEU A 69 55.874 2.076 14.034 1.00 32.92 C ATOM 999 C LEU A 69 55.547 1.025 15.089 1.00 32.06 C ATOM 1000 O LEU A 69 55.342 -0.146 14.773 1.00 31.81 O ATOM 1001 CB LEU A 69 57.389 2.295 13.983 1.00 33.54 C ATOM 1002 CG LEU A 69 57.851 3.503 13.166 1.00 34.47 C ATOM 1003 CD1 LEU A 69 59.367 3.607 13.180 1.00 34.45 C ATOM 1004 CD2 LEU A 69 57.335 3.416 11.739 1.00 34.57 C ATOM 0 H LEU A 69 55.804 4.119 14.506 1.00 33.78 H new ATOM 0 HA LEU A 69 55.533 1.726 13.060 1.00 32.92 H new ATOM 0 HB2 LEU A 69 57.757 2.405 15.003 1.00 33.54 H new ATOM 0 HB3 LEU A 69 57.855 1.400 13.571 1.00 33.54 H new ATOM 0 HG LEU A 69 57.439 4.403 13.623 1.00 34.47 H new ATOM 0 HD11 LEU A 69 59.678 4.472 12.594 1.00 34.45 H new ATOM 0 HD12 LEU A 69 59.714 3.721 14.207 1.00 34.45 H new ATOM 0 HD13 LEU A 69 59.798 2.703 12.749 1.00 34.45 H new ATOM 0 HD21 LEU A 69 57.675 4.285 11.176 1.00 34.57 H new ATOM 0 HD22 LEU A 69 57.714 2.508 11.270 1.00 34.57 H new ATOM 0 HD23 LEU A 69 56.245 3.393 11.747 1.00 34.57 H new ATOM 1016 N THR A 70 55.506 1.463 16.345 1.00 32.45 N ATOM 1017 CA THR A 70 55.195 0.584 17.465 1.00 33.21 C ATOM 1018 C THR A 70 53.738 0.132 17.416 1.00 33.31 C ATOM 1019 O THR A 70 53.427 -1.023 17.703 1.00 30.33 O ATOM 1020 CB THR A 70 55.459 1.286 18.811 1.00 33.88 C ATOM 1021 OG1 THR A 70 56.777 1.847 18.819 1.00 38.86 O ATOM 1022 CG2 THR A 70 55.313 0.313 19.971 1.00 35.02 C ATOM 0 H THR A 70 55.686 2.431 16.612 1.00 32.45 H new ATOM 0 HA THR A 70 55.846 -0.287 17.382 1.00 33.21 H new ATOM 0 HB THR A 70 54.722 2.080 18.930 1.00 33.88 H new ATOM 0 HG1 THR A 70 56.803 2.630 18.230 1.00 38.86 H new ATOM 0 HG21 THR A 70 55.505 0.834 20.909 1.00 35.02 H new ATOM 0 HG22 THR A 70 54.301 -0.092 19.981 1.00 35.02 H new ATOM 0 HG23 THR A 70 56.029 -0.501 19.855 1.00 35.02 H new ATOM 1030 N MET A 71 52.854 1.059 17.051 1.00 34.17 N ATOM 1031 CA MET A 71 51.423 0.780 16.955 1.00 36.39 C ATOM 1032 C MET A 71 51.134 -0.331 15.949 1.00 36.62 C ATOM 1033 O MET A 71 50.352 -1.242 16.225 1.00 36.34 O ATOM 1034 CB MET A 71 50.672 2.052 16.555 1.00 36.63 C ATOM 1035 CG MET A 71 49.217 1.814 16.187 1.00 39.21 C ATOM 1036 SD MET A 71 48.355 3.337 15.757 1.00 41.50 S ATOM 1037 CE MET A 71 48.212 4.107 17.367 1.00 44.10 C ATOM 0 H MET A 71 53.108 2.018 16.815 1.00 34.17 H new ATOM 0 HA MET A 71 51.080 0.443 17.933 1.00 36.39 H new ATOM 0 HB2 MET A 71 50.717 2.764 17.379 1.00 36.63 H new ATOM 0 HB3 MET A 71 51.181 2.512 15.708 1.00 36.63 H new ATOM 0 HG2 MET A 71 49.167 1.122 15.346 1.00 39.21 H new ATOM 0 HG3 MET A 71 48.708 1.336 17.024 1.00 39.21 H new ATOM 0 HE1 MET A 71 47.213 4.528 17.482 1.00 44.10 H new ATOM 0 HE2 MET A 71 48.383 3.361 18.143 1.00 44.10 H new ATOM 0 HE3 MET A 71 48.953 4.901 17.458 1.00 44.10 H new ATOM 1047 N MET A 72 51.773 -0.253 14.785 0.50 37.02 N ATOM 1048 CA MET A 72 51.582 -1.248 13.735 0.50 37.92 C ATOM 1049 C MET A 72 52.216 -2.583 14.110 0.50 37.80 C ATOM 1050 O MET A 72 51.770 -3.635 13.661 0.50 37.61 O ATOM 1051 CB MET A 72 52.163 -0.748 12.414 0.50 37.75 C ATOM 1052 CG MET A 72 51.485 0.505 11.889 0.50 38.28 C ATOM 1053 SD MET A 72 51.943 0.876 10.186 0.50 40.51 S ATOM 1054 CE MET A 72 51.317 -0.577 9.347 0.50 40.68 C ATOM 0 H MET A 72 52.429 0.491 14.545 0.50 37.02 H new ATOM 0 HA MET A 72 50.509 -1.403 13.619 0.50 37.92 H new ATOM 0 HB2 MET A 72 53.226 -0.548 12.547 0.50 37.75 H new ATOM 0 HB3 MET A 72 52.078 -1.537 11.667 0.50 37.75 H new ATOM 0 HG2 MET A 72 50.404 0.383 11.953 0.50 38.28 H new ATOM 0 HG3 MET A 72 51.748 1.350 12.525 0.50 38.28 H new ATOM 0 HE1 MET A 72 51.111 -0.335 8.304 0.50 40.68 H new ATOM 0 HE2 MET A 72 52.060 -1.373 9.395 0.50 40.68 H new ATOM 0 HE3 MET A 72 50.398 -0.909 9.831 0.50 40.68 H new ATOM 1064 N ALA A 73 53.265 -2.534 14.925 1.00 37.91 N ATOM 1065 CA ALA A 73 53.956 -3.744 15.362 1.00 39.00 C ATOM 1066 C ALA A 73 53.098 -4.559 16.329 1.00 39.77 C ATOM 1067 O ALA A 73 53.304 -5.758 16.494 1.00 39.40 O ATOM 1068 CB ALA A 73 55.286 -3.388 16.008 1.00 39.11 C ATOM 0 H ALA A 73 53.656 -1.669 15.297 1.00 37.91 H new ATOM 0 HA ALA A 73 54.142 -4.359 14.481 1.00 39.00 H new ATOM 0 HB1 ALA A 73 55.790 -4.300 16.329 1.00 39.11 H new ATOM 0 HB2 ALA A 73 55.912 -2.862 15.287 1.00 39.11 H new ATOM 0 HB3 ALA A 73 55.111 -2.747 16.872 1.00 39.11 H new ATOM 1074 N ARG A 74 52.146 -3.898 16.977 1.00 40.96 N ATOM 1075 CA ARG A 74 51.263 -4.564 17.929 1.00 42.55 C ATOM 1076 C ARG A 74 50.129 -5.307 17.225 1.00 44.51 C ATOM 1077 O ARG A 74 49.658 -6.334 17.707 1.00 44.74 O ATOM 1078 CB ARG A 74 50.676 -3.545 18.905 1.00 42.63 C ATOM 1079 CG ARG A 74 51.723 -2.811 19.723 1.00 42.53 C ATOM 1080 CD ARG A 74 51.100 -1.710 20.564 1.00 42.83 C ATOM 1081 NE ARG A 74 52.107 -0.929 21.275 1.00 42.01 N ATOM 1082 CZ ARG A 74 51.815 -0.017 22.194 1.00 43.34 C ATOM 1083 NH1 ARG A 74 50.551 0.224 22.514 1.00 43.13 N ATOM 1084 NH2 ARG A 74 52.786 0.656 22.796 1.00 45.42 N ATOM 0 H ARG A 74 51.965 -2.901 16.861 1.00 40.96 H new ATOM 0 HA ARG A 74 51.861 -5.295 18.474 1.00 42.55 H new ATOM 0 HB2 ARG A 74 50.088 -2.817 18.346 1.00 42.63 H new ATOM 0 HB3 ARG A 74 49.991 -4.056 19.582 1.00 42.63 H new ATOM 0 HG2 ARG A 74 52.241 -3.518 20.372 1.00 42.53 H new ATOM 0 HG3 ARG A 74 52.472 -2.382 19.057 1.00 42.53 H new ATOM 0 HD2 ARG A 74 50.516 -1.050 19.922 1.00 42.83 H new ATOM 0 HD3 ARG A 74 50.408 -2.150 21.283 1.00 42.83 H new ATOM 0 HE ARG A 74 53.089 -1.093 21.054 1.00 42.01 H new ATOM 0 HH11 ARG A 74 49.801 -0.292 22.054 1.00 43.13 H new ATOM 0 HH12 ARG A 74 50.329 0.925 23.221 1.00 43.13 H new ATOM 0 HH21 ARG A 74 53.760 0.473 22.553 1.00 45.42 H new ATOM 0 HH22 ARG A 74 52.559 1.356 23.502 1.00 45.42 H new ATOM 1098 N LYS A 75 49.680 -4.777 16.095 1.00 47.06 N ATOM 1099 CA LYS A 75 48.585 -5.394 15.353 1.00 48.94 C ATOM 1100 C LYS A 75 49.081 -6.359 14.278 1.00 50.94 C ATOM 1101 O LYS A 75 48.561 -7.466 14.143 1.00 51.43 O ATOM 1102 CB LYS A 75 47.701 -4.318 14.716 1.00 48.75 C ATOM 1103 CG LYS A 75 46.706 -3.692 15.683 1.00 49.05 C ATOM 1104 CD LYS A 75 47.383 -2.734 16.650 1.00 48.39 C ATOM 1105 CE LYS A 75 46.442 -2.309 17.765 1.00 48.37 C ATOM 1106 NZ LYS A 75 46.055 -3.457 18.631 1.00 47.66 N ATOM 0 H LYS A 75 50.053 -3.927 15.673 1.00 47.06 H new ATOM 0 HA LYS A 75 48.002 -5.972 16.070 1.00 48.94 H new ATOM 0 HB2 LYS A 75 48.337 -3.534 14.305 1.00 48.75 H new ATOM 0 HB3 LYS A 75 47.155 -4.756 13.880 1.00 48.75 H new ATOM 0 HG2 LYS A 75 45.939 -3.159 15.121 1.00 49.05 H new ATOM 0 HG3 LYS A 75 46.201 -4.478 16.244 1.00 49.05 H new ATOM 0 HD2 LYS A 75 48.264 -3.211 17.079 1.00 48.39 H new ATOM 0 HD3 LYS A 75 47.729 -1.853 16.109 1.00 48.39 H new ATOM 0 HE2 LYS A 75 46.922 -1.541 18.372 1.00 48.37 H new ATOM 0 HE3 LYS A 75 45.547 -1.861 17.334 1.00 48.37 H new ATOM 0 HZ1 LYS A 75 45.709 -3.101 19.545 1.00 47.66 H new ATOM 0 HZ2 LYS A 75 45.303 -4.005 18.166 1.00 47.66 H new ATOM 0 HZ3 LYS A 75 46.882 -4.068 18.788 1.00 47.66 H new ATOM 1120 N MET A 76 50.085 -5.938 13.515 1.00 53.37 N ATOM 1121 CA MET A 76 50.620 -6.761 12.432 1.00 55.34 C ATOM 1122 C MET A 76 51.692 -7.743 12.902 1.00 56.13 C ATOM 1123 O MET A 76 52.140 -8.584 12.122 1.00 56.27 O ATOM 1124 CB MET A 76 51.188 -5.869 11.328 1.00 56.12 C ATOM 1125 CG MET A 76 50.135 -5.030 10.626 1.00 57.63 C ATOM 1126 SD MET A 76 48.839 -6.035 9.877 1.00 61.42 S ATOM 1127 CE MET A 76 49.804 -7.066 8.776 1.00 61.41 C ATOM 0 H MET A 76 50.545 -5.034 13.625 1.00 53.37 H new ATOM 0 HA MET A 76 49.789 -7.353 12.048 1.00 55.34 H new ATOM 0 HB2 MET A 76 51.941 -5.208 11.757 1.00 56.12 H new ATOM 0 HB3 MET A 76 51.694 -6.493 10.592 1.00 56.12 H new ATOM 0 HG2 MET A 76 49.688 -4.340 11.342 1.00 57.63 H new ATOM 0 HG3 MET A 76 50.612 -4.424 9.855 1.00 57.63 H new ATOM 0 HE1 MET A 76 49.150 -7.507 8.024 1.00 61.41 H new ATOM 0 HE2 MET A 76 50.566 -6.461 8.285 1.00 61.41 H new ATOM 0 HE3 MET A 76 50.284 -7.859 9.348 1.00 61.41 H new ATOM 1137 N LYS A 77 52.098 -7.656 14.167 1.00 57.43 N ATOM 1138 CA LYS A 77 53.123 -8.560 14.692 1.00 58.19 C ATOM 1139 C LYS A 77 52.856 -8.910 16.151 1.00 58.91 C ATOM 1140 O LYS A 77 53.709 -8.697 17.015 1.00 59.03 O ATOM 1141 CB LYS A 77 54.515 -7.926 14.573 1.00 58.38 C ATOM 1142 CG LYS A 77 55.039 -7.837 13.149 1.00 58.67 C ATOM 1143 CD LYS A 77 56.389 -7.140 13.099 1.00 58.43 C ATOM 1144 CE LYS A 77 57.412 -7.849 13.971 1.00 58.37 C ATOM 1145 NZ LYS A 77 58.730 -7.158 13.956 1.00 57.58 N ATOM 0 H LYS A 77 51.740 -6.979 14.841 1.00 57.43 H new ATOM 0 HA LYS A 77 53.087 -9.473 14.098 1.00 58.19 H new ATOM 0 HB2 LYS A 77 54.483 -6.924 15.000 1.00 58.38 H new ATOM 0 HB3 LYS A 77 55.218 -8.505 15.172 1.00 58.38 H new ATOM 0 HG2 LYS A 77 55.129 -8.839 12.729 1.00 58.67 H new ATOM 0 HG3 LYS A 77 54.324 -7.295 12.530 1.00 58.67 H new ATOM 0 HD2 LYS A 77 56.746 -7.108 12.070 1.00 58.43 H new ATOM 0 HD3 LYS A 77 56.279 -6.107 13.430 1.00 58.43 H new ATOM 0 HE2 LYS A 77 57.042 -7.902 14.995 1.00 58.37 H new ATOM 0 HE3 LYS A 77 57.536 -8.875 13.624 1.00 58.37 H new ATOM 0 HZ1 LYS A 77 59.340 -7.557 14.698 1.00 57.58 H new ATOM 0 HZ2 LYS A 77 59.181 -7.291 13.028 1.00 57.58 H new ATOM 0 HZ3 LYS A 77 58.591 -6.142 14.131 1.00 57.58 H new ATOM 1159 N ASP A 78 51.677 -9.473 16.403 1.00 59.82 N ATOM 1160 CA ASP A 78 51.269 -9.879 17.746 1.00 60.41 C ATOM 1161 C ASP A 78 49.859 -10.451 17.705 1.00 61.10 C ATOM 1162 O ASP A 78 49.625 -11.593 18.099 1.00 61.04 O ATOM 1163 CB ASP A 78 51.320 -8.697 18.719 1.00 60.52 C ATOM 1164 CG ASP A 78 50.983 -9.099 20.141 1.00 60.22 C ATOM 1165 OD1 ASP A 78 51.826 -9.756 20.787 1.00 59.44 O ATOM 1166 OD2 ASP A 78 49.878 -8.753 20.610 1.00 58.94 O ATOM 0 H ASP A 78 50.978 -9.661 15.684 1.00 59.82 H new ATOM 0 HA ASP A 78 51.964 -10.642 18.098 1.00 60.41 H new ATOM 0 HB2 ASP A 78 52.316 -8.255 18.696 1.00 60.52 H new ATOM 0 HB3 ASP A 78 50.622 -7.928 18.388 1.00 60.52 H new ATOM 1171 N THR A 79 48.923 -9.641 17.222 1.00 61.55 N ATOM 1172 CA THR A 79 47.532 -10.055 17.112 1.00 61.81 C ATOM 1173 C THR A 79 47.207 -10.476 15.684 1.00 61.76 C ATOM 1174 O THR A 79 48.105 -10.594 14.848 1.00 61.74 O ATOM 1175 CB THR A 79 46.570 -8.929 17.533 1.00 62.06 C ATOM 1176 OG1 THR A 79 46.780 -7.773 16.715 1.00 61.92 O ATOM 1177 CG2 THR A 79 46.770 -8.563 18.995 1.00 62.02 C ATOM 0 H THR A 79 49.105 -8.691 16.900 1.00 61.55 H new ATOM 0 HA THR A 79 47.397 -10.902 17.785 1.00 61.81 H new ATOM 0 HB THR A 79 45.549 -9.287 17.401 1.00 62.06 H new ATOM 0 HG1 THR A 79 46.163 -7.062 16.989 1.00 61.92 H new ATOM 0 HG21 THR A 79 46.079 -7.765 19.268 1.00 62.02 H new ATOM 0 HG22 THR A 79 46.580 -9.437 19.618 1.00 62.02 H new ATOM 0 HG23 THR A 79 47.794 -8.224 19.148 1.00 62.02 H new ATOM 1185 N ASP A 80 45.919 -10.713 15.428 1.00 61.67 N ATOM 1186 CA ASP A 80 45.432 -11.121 14.109 1.00 61.47 C ATOM 1187 C ASP A 80 45.874 -12.543 13.776 1.00 60.95 C ATOM 1188 O ASP A 80 46.939 -12.758 13.197 1.00 61.24 O ATOM 1189 CB ASP A 80 45.897 -10.146 13.021 1.00 61.72 C ATOM 1190 CG ASP A 80 45.200 -10.382 11.696 1.00 62.15 C ATOM 1191 OD1 ASP A 80 44.047 -9.926 11.543 1.00 61.79 O ATOM 1192 OD2 ASP A 80 45.806 -11.022 10.812 1.00 63.19 O ATOM 0 H ASP A 80 45.184 -10.627 16.130 1.00 61.67 H new ATOM 0 HA ASP A 80 44.343 -11.101 14.141 1.00 61.47 H new ATOM 0 HB2 ASP A 80 45.710 -9.124 13.349 1.00 61.72 H new ATOM 0 HB3 ASP A 80 46.974 -10.245 12.884 1.00 61.72 H new ATOM 1197 N SER A 81 45.044 -13.510 14.151 1.00 60.03 N ATOM 1198 CA SER A 81 45.333 -14.917 13.898 1.00 59.33 C ATOM 1199 C SER A 81 44.051 -15.664 13.559 1.00 58.70 C ATOM 1200 O SER A 81 43.954 -16.322 12.523 1.00 58.65 O ATOM 1201 CB SER A 81 45.998 -15.556 15.121 1.00 59.37 C ATOM 1202 OG SER A 81 47.240 -14.939 15.412 1.00 59.25 O ATOM 0 H SER A 81 44.161 -13.344 14.634 1.00 60.03 H new ATOM 0 HA SER A 81 46.018 -14.981 13.052 1.00 59.33 H new ATOM 0 HB2 SER A 81 45.336 -15.471 15.983 1.00 59.37 H new ATOM 0 HB3 SER A 81 46.151 -16.620 14.940 1.00 59.37 H new ATOM 0 HG SER A 81 47.641 -15.366 16.198 1.00 59.25 H new ATOM 1208 N GLU A 82 43.069 -15.555 14.444 1.00 57.85 N ATOM 1209 CA GLU A 82 41.781 -16.203 14.248 1.00 57.10 C ATOM 1210 C GLU A 82 40.668 -15.307 14.777 1.00 56.29 C ATOM 1211 O GLU A 82 40.818 -14.688 15.831 1.00 56.33 O ATOM 1212 CB GLU A 82 41.754 -17.559 14.956 1.00 57.15 C ATOM 1213 CG GLU A 82 40.583 -18.438 14.550 1.00 57.16 C ATOM 1214 CD GLU A 82 40.552 -18.716 13.060 1.00 57.22 C ATOM 1215 OE1 GLU A 82 41.344 -19.563 12.598 1.00 57.10 O ATOM 1216 OE2 GLU A 82 39.734 -18.087 12.355 1.00 57.33 O ATOM 0 H GLU A 82 43.142 -15.020 15.309 1.00 57.85 H new ATOM 0 HA GLU A 82 41.626 -16.369 13.182 1.00 57.10 H new ATOM 0 HB2 GLU A 82 42.684 -18.087 14.745 1.00 57.15 H new ATOM 0 HB3 GLU A 82 41.718 -17.396 16.033 1.00 57.15 H new ATOM 0 HG2 GLU A 82 40.638 -19.383 15.091 1.00 57.16 H new ATOM 0 HG3 GLU A 82 39.651 -17.955 14.845 1.00 57.16 H new ATOM 1223 N GLU A 83 39.560 -15.240 14.030 1.00 55.18 N ATOM 1224 CA GLU A 83 38.410 -14.409 14.399 1.00 54.27 C ATOM 1225 C GLU A 83 38.761 -12.922 14.346 1.00 53.48 C ATOM 1226 O GLU A 83 38.006 -12.079 14.827 1.00 53.50 O ATOM 1227 CB GLU A 83 37.881 -14.778 15.790 1.00 54.27 C ATOM 1228 CG GLU A 83 36.738 -15.782 15.767 1.00 54.14 C ATOM 1229 CD GLU A 83 37.168 -17.155 15.291 1.00 53.98 C ATOM 1230 OE1 GLU A 83 37.637 -17.953 16.129 1.00 53.80 O ATOM 1231 OE2 GLU A 83 37.034 -17.434 14.080 1.00 53.79 O ATOM 0 H GLU A 83 39.436 -15.756 13.159 1.00 55.18 H new ATOM 0 HA GLU A 83 37.624 -14.603 13.669 1.00 54.27 H new ATOM 0 HB2 GLU A 83 38.699 -15.187 16.383 1.00 54.27 H new ATOM 0 HB3 GLU A 83 37.545 -13.871 16.293 1.00 54.27 H new ATOM 0 HG2 GLU A 83 36.315 -15.866 16.768 1.00 54.14 H new ATOM 0 HG3 GLU A 83 35.947 -15.409 15.117 1.00 54.14 H new ATOM 1238 N GLU A 84 39.913 -12.611 13.755 1.00 52.47 N ATOM 1239 CA GLU A 84 40.371 -11.233 13.635 1.00 51.53 C ATOM 1240 C GLU A 84 40.597 -10.879 12.171 1.00 50.70 C ATOM 1241 O GLU A 84 40.492 -9.717 11.778 1.00 50.65 O ATOM 1242 CB GLU A 84 41.660 -11.031 14.432 1.00 51.50 C ATOM 1243 CG GLU A 84 41.490 -11.253 15.926 1.00 51.44 C ATOM 1244 CD GLU A 84 42.805 -11.216 16.676 1.00 51.40 C ATOM 1245 OE1 GLU A 84 43.207 -10.119 17.118 1.00 51.44 O ATOM 1246 OE2 GLU A 84 43.435 -12.285 16.822 1.00 51.37 O ATOM 0 H GLU A 84 40.547 -13.300 13.351 1.00 52.47 H new ATOM 0 HA GLU A 84 39.603 -10.574 14.040 1.00 51.53 H new ATOM 0 HB2 GLU A 84 42.421 -11.714 14.056 1.00 51.50 H new ATOM 0 HB3 GLU A 84 42.028 -10.019 14.263 1.00 51.50 H new ATOM 0 HG2 GLU A 84 40.825 -10.489 16.329 1.00 51.44 H new ATOM 0 HG3 GLU A 84 41.008 -12.216 16.093 1.00 51.44 H new ATOM 1253 N ILE A 85 40.912 -11.893 11.371 1.00 49.66 N ATOM 1254 CA ILE A 85 41.131 -11.703 9.943 1.00 48.88 C ATOM 1255 C ILE A 85 39.789 -11.614 9.228 1.00 48.30 C ATOM 1256 O ILE A 85 39.666 -10.991 8.174 1.00 48.02 O ATOM 1257 CB ILE A 85 41.957 -12.857 9.341 1.00 48.69 C ATOM 1258 CG1 ILE A 85 43.115 -13.222 10.269 1.00 48.38 C ATOM 1259 CG2 ILE A 85 42.481 -12.477 7.964 1.00 48.23 C ATOM 1260 CD1 ILE A 85 44.029 -14.286 9.703 1.00 48.01 C ATOM 0 H ILE A 85 41.021 -12.856 11.689 1.00 49.66 H new ATOM 0 HA ILE A 85 41.690 -10.777 9.808 1.00 48.88 H new ATOM 0 HB ILE A 85 41.309 -13.727 9.235 1.00 48.69 H new ATOM 0 HG12 ILE A 85 43.699 -12.326 10.478 1.00 48.38 H new ATOM 0 HG13 ILE A 85 42.712 -13.569 11.221 1.00 48.38 H new ATOM 0 HG21 ILE A 85 43.062 -13.304 7.555 1.00 48.23 H new ATOM 0 HG22 ILE A 85 41.642 -12.260 7.303 1.00 48.23 H new ATOM 0 HG23 ILE A 85 43.115 -11.594 8.047 1.00 48.23 H new ATOM 0 HD11 ILE A 85 44.828 -14.495 10.414 1.00 48.01 H new ATOM 0 HD12 ILE A 85 43.458 -15.196 9.520 1.00 48.01 H new ATOM 0 HD13 ILE A 85 44.461 -13.934 8.766 1.00 48.01 H new ATOM 1272 N ARG A 86 38.786 -12.255 9.826 1.00 47.70 N ATOM 1273 CA ARG A 86 37.432 -12.252 9.286 1.00 47.31 C ATOM 1274 C ARG A 86 36.825 -10.855 9.385 1.00 46.55 C ATOM 1275 O ARG A 86 36.021 -10.454 8.543 1.00 46.62 O ATOM 1276 CB ARG A 86 36.558 -13.260 10.036 1.00 47.53 C ATOM 1277 CG ARG A 86 35.172 -13.427 9.436 1.00 48.26 C ATOM 1278 CD ARG A 86 35.244 -13.888 7.990 1.00 49.09 C ATOM 1279 NE ARG A 86 33.934 -13.879 7.347 1.00 49.58 N ATOM 1280 CZ ARG A 86 33.712 -14.354 6.126 1.00 49.77 C ATOM 1281 NH1 ARG A 86 34.707 -14.881 5.427 1.00 50.11 N ATOM 1282 NH2 ARG A 86 32.494 -14.304 5.604 1.00 49.93 N ATOM 0 H ARG A 86 38.890 -12.786 10.691 1.00 47.70 H new ATOM 0 HA ARG A 86 37.477 -12.541 8.236 1.00 47.31 H new ATOM 0 HB2 ARG A 86 37.060 -14.228 10.045 1.00 47.53 H new ATOM 0 HB3 ARG A 86 36.460 -12.942 11.074 1.00 47.53 H new ATOM 0 HG2 ARG A 86 34.605 -14.151 10.022 1.00 48.26 H new ATOM 0 HG3 ARG A 86 34.634 -12.481 9.491 1.00 48.26 H new ATOM 0 HD2 ARG A 86 35.924 -13.240 7.437 1.00 49.09 H new ATOM 0 HD3 ARG A 86 35.660 -14.895 7.951 1.00 49.09 H new ATOM 0 HE ARG A 86 33.146 -13.487 7.863 1.00 49.58 H new ATOM 0 HH11 ARG A 86 35.645 -14.922 5.826 1.00 50.11 H new ATOM 0 HH12 ARG A 86 34.535 -15.245 4.490 1.00 50.11 H new ATOM 0 HH21 ARG A 86 31.726 -13.900 6.140 1.00 49.93 H new ATOM 0 HH22 ARG A 86 32.326 -14.669 4.667 1.00 49.93 H new ATOM 1296 N GLU A 87 37.221 -10.120 10.422 1.00 45.58 N ATOM 1297 CA GLU A 87 36.736 -8.761 10.630 1.00 44.77 C ATOM 1298 C GLU A 87 37.309 -7.830 9.569 1.00 44.24 C ATOM 1299 O GLU A 87 36.628 -6.927 9.086 1.00 44.24 O ATOM 1300 CB GLU A 87 37.128 -8.264 12.022 1.00 44.68 C ATOM 1301 CG GLU A 87 36.688 -9.187 13.145 1.00 44.58 C ATOM 1302 CD GLU A 87 37.111 -8.682 14.510 1.00 44.50 C ATOM 1303 OE1 GLU A 87 38.281 -8.900 14.887 1.00 43.96 O ATOM 1304 OE2 GLU A 87 36.271 -8.069 15.202 1.00 44.01 O ATOM 0 H GLU A 87 37.878 -10.445 11.132 1.00 45.58 H new ATOM 0 HA GLU A 87 35.649 -8.765 10.550 1.00 44.77 H new ATOM 0 HB2 GLU A 87 38.211 -8.145 12.064 1.00 44.68 H new ATOM 0 HB3 GLU A 87 36.692 -7.278 12.182 1.00 44.68 H new ATOM 0 HG2 GLU A 87 35.603 -9.293 13.120 1.00 44.58 H new ATOM 0 HG3 GLU A 87 37.109 -10.179 12.982 1.00 44.58 H new ATOM 1311 N ALA A 88 38.571 -8.064 9.217 1.00 43.21 N ATOM 1312 CA ALA A 88 39.252 -7.265 8.205 1.00 42.69 C ATOM 1313 C ALA A 88 38.714 -7.582 6.815 1.00 42.03 C ATOM 1314 O ALA A 88 38.666 -6.714 5.946 1.00 42.26 O ATOM 1315 CB ALA A 88 40.751 -7.509 8.264 1.00 42.67 C ATOM 0 H ALA A 88 39.144 -8.805 9.621 1.00 43.21 H new ATOM 0 HA ALA A 88 39.061 -6.212 8.411 1.00 42.69 H new ATOM 0 HB1 ALA A 88 41.248 -6.907 7.503 1.00 42.67 H new ATOM 0 HB2 ALA A 88 41.126 -7.232 9.249 1.00 42.67 H new ATOM 0 HB3 ALA A 88 40.955 -8.564 8.082 1.00 42.67 H new ATOM 1321 N PHE A 89 38.316 -8.837 6.618 1.00 41.52 N ATOM 1322 CA PHE A 89 37.766 -9.287 5.344 1.00 40.80 C ATOM 1323 C PHE A 89 36.425 -8.610 5.076 1.00 40.34 C ATOM 1324 O PHE A 89 36.091 -8.296 3.934 1.00 39.89 O ATOM 1325 CB PHE A 89 37.595 -10.810 5.364 1.00 40.86 C ATOM 1326 CG PHE A 89 36.964 -11.378 4.123 1.00 40.98 C ATOM 1327 CD1 PHE A 89 37.726 -11.621 2.992 1.00 40.93 C ATOM 1328 CD2 PHE A 89 35.611 -11.677 4.090 1.00 40.92 C ATOM 1329 CE1 PHE A 89 37.150 -12.150 1.853 1.00 40.56 C ATOM 1330 CE2 PHE A 89 35.030 -12.204 2.953 1.00 41.20 C ATOM 1331 CZ PHE A 89 35.801 -12.441 1.833 1.00 41.21 C ATOM 0 H PHE A 89 38.365 -9.564 7.331 1.00 41.52 H new ATOM 0 HA PHE A 89 38.456 -9.015 4.545 1.00 40.80 H new ATOM 0 HB2 PHE A 89 38.572 -11.272 5.505 1.00 40.86 H new ATOM 0 HB3 PHE A 89 36.986 -11.084 6.225 1.00 40.86 H new ATOM 0 HD1 PHE A 89 38.782 -11.394 3.001 1.00 40.93 H new ATOM 0 HD2 PHE A 89 35.003 -11.496 4.964 1.00 40.92 H new ATOM 0 HE1 PHE A 89 37.755 -12.336 0.978 1.00 40.56 H new ATOM 0 HE2 PHE A 89 33.974 -12.430 2.940 1.00 41.20 H new ATOM 0 HZ PHE A 89 35.350 -12.853 0.943 1.00 41.21 H new ATOM 1341 N ARG A 90 35.667 -8.391 6.147 1.00 39.76 N ATOM 1342 CA ARG A 90 34.360 -7.748 6.063 1.00 39.54 C ATOM 1343 C ARG A 90 34.488 -6.275 5.676 1.00 39.13 C ATOM 1344 O ARG A 90 33.544 -5.673 5.163 1.00 38.77 O ATOM 1345 CB ARG A 90 33.643 -7.877 7.406 1.00 39.47 C ATOM 1346 CG ARG A 90 32.142 -7.655 7.332 1.00 40.06 C ATOM 1347 CD ARG A 90 31.484 -7.919 8.676 1.00 40.20 C ATOM 1348 NE ARG A 90 31.792 -9.255 9.180 1.00 40.80 N ATOM 1349 CZ ARG A 90 32.415 -9.483 10.333 1.00 40.64 C ATOM 1350 NH1 ARG A 90 32.793 -8.468 11.097 1.00 40.70 N ATOM 1351 NH2 ARG A 90 32.661 -10.727 10.720 1.00 40.60 N ATOM 0 H ARG A 90 35.941 -8.653 7.094 1.00 39.76 H new ATOM 0 HA ARG A 90 33.780 -8.247 5.286 1.00 39.54 H new ATOM 0 HB2 ARG A 90 33.833 -8.870 7.813 1.00 39.47 H new ATOM 0 HB3 ARG A 90 34.072 -7.159 8.105 1.00 39.47 H new ATOM 0 HG2 ARG A 90 31.938 -6.631 7.018 1.00 40.06 H new ATOM 0 HG3 ARG A 90 31.711 -8.312 6.577 1.00 40.06 H new ATOM 0 HD2 ARG A 90 31.819 -7.173 9.397 1.00 40.20 H new ATOM 0 HD3 ARG A 90 30.404 -7.807 8.580 1.00 40.20 H new ATOM 0 HE ARG A 90 31.514 -10.058 8.616 1.00 40.80 H new ATOM 0 HH11 ARG A 90 32.606 -7.510 10.801 1.00 40.70 H new ATOM 0 HH12 ARG A 90 33.271 -8.645 11.981 1.00 40.70 H new ATOM 0 HH21 ARG A 90 32.373 -11.510 10.133 1.00 40.60 H new ATOM 0 HH22 ARG A 90 33.139 -10.901 11.604 1.00 40.60 H new ATOM 1365 N VAL A 91 35.663 -5.700 5.926 1.00 38.65 N ATOM 1366 CA VAL A 91 35.914 -4.301 5.602 1.00 38.49 C ATOM 1367 C VAL A 91 36.007 -4.105 4.091 1.00 38.58 C ATOM 1368 O VAL A 91 35.486 -3.130 3.548 1.00 39.41 O ATOM 1369 CB VAL A 91 37.205 -3.788 6.269 1.00 38.39 C ATOM 1370 CG1 VAL A 91 37.500 -2.357 5.848 1.00 38.23 C ATOM 1371 CG2 VAL A 91 37.094 -3.890 7.782 1.00 38.10 C ATOM 0 H VAL A 91 36.454 -6.183 6.352 1.00 38.65 H new ATOM 0 HA VAL A 91 35.074 -3.725 5.989 1.00 38.49 H new ATOM 0 HB VAL A 91 38.034 -4.414 5.939 1.00 38.39 H new ATOM 0 HG11 VAL A 91 38.416 -2.017 6.332 1.00 38.23 H new ATOM 0 HG12 VAL A 91 37.624 -2.314 4.766 1.00 38.23 H new ATOM 0 HG13 VAL A 91 36.672 -1.713 6.144 1.00 38.23 H new ATOM 0 HG21 VAL A 91 38.013 -3.524 8.240 1.00 38.10 H new ATOM 0 HG22 VAL A 91 36.253 -3.289 8.126 1.00 38.10 H new ATOM 0 HG23 VAL A 91 36.936 -4.931 8.066 1.00 38.10 H new ATOM 1381 N PHE A 92 36.661 -5.046 3.413 1.00 38.07 N ATOM 1382 CA PHE A 92 36.802 -4.982 1.964 1.00 37.91 C ATOM 1383 C PHE A 92 35.506 -5.430 1.304 1.00 38.23 C ATOM 1384 O PHE A 92 34.935 -4.724 0.474 1.00 38.44 O ATOM 1385 CB PHE A 92 37.955 -5.872 1.492 1.00 37.68 C ATOM 1386 CG PHE A 92 39.302 -5.466 2.023 1.00 37.24 C ATOM 1387 CD1 PHE A 92 40.038 -4.475 1.396 1.00 37.93 C ATOM 1388 CD2 PHE A 92 39.834 -6.083 3.143 1.00 36.91 C ATOM 1389 CE1 PHE A 92 41.279 -4.105 1.878 1.00 37.56 C ATOM 1390 CE2 PHE A 92 41.074 -5.717 3.630 1.00 36.60 C ATOM 1391 CZ PHE A 92 41.798 -4.726 2.996 1.00 37.06 C ATOM 0 H PHE A 92 37.100 -5.859 3.845 1.00 38.07 H new ATOM 0 HA PHE A 92 37.021 -3.952 1.681 1.00 37.91 H new ATOM 0 HB2 PHE A 92 37.753 -6.900 1.793 1.00 37.68 H new ATOM 0 HB3 PHE A 92 37.987 -5.859 0.403 1.00 37.68 H new ATOM 0 HD1 PHE A 92 39.638 -3.986 0.520 1.00 37.93 H new ATOM 0 HD2 PHE A 92 39.273 -6.859 3.642 1.00 36.91 H new ATOM 0 HE1 PHE A 92 41.843 -3.330 1.380 1.00 37.56 H new ATOM 0 HE2 PHE A 92 41.477 -6.205 4.505 1.00 36.60 H new ATOM 0 HZ PHE A 92 42.768 -4.438 3.374 1.00 37.06 H new ATOM 1401 N ASP A 93 35.054 -6.619 1.689 1.00 38.14 N ATOM 1402 CA ASP A 93 33.820 -7.190 1.169 1.00 38.30 C ATOM 1403 C ASP A 93 32.633 -6.721 2.009 1.00 37.99 C ATOM 1404 O ASP A 93 32.212 -7.404 2.943 1.00 38.00 O ATOM 1405 CB ASP A 93 33.914 -8.716 1.178 1.00 38.25 C ATOM 1406 CG ASP A 93 32.775 -9.381 0.437 1.00 38.72 C ATOM 1407 OD1 ASP A 93 32.116 -8.703 -0.377 1.00 39.57 O ATOM 1408 OD2 ASP A 93 32.544 -10.583 0.671 1.00 38.28 O ATOM 0 H ASP A 93 35.532 -7.211 2.368 1.00 38.14 H new ATOM 0 HA ASP A 93 33.671 -6.854 0.143 1.00 38.30 H new ATOM 0 HB2 ASP A 93 34.859 -9.019 0.728 1.00 38.25 H new ATOM 0 HB3 ASP A 93 33.924 -9.068 2.209 1.00 38.25 H new ATOM 1413 N LYS A 94 32.118 -5.539 1.679 1.00 37.98 N ATOM 1414 CA LYS A 94 30.997 -4.939 2.401 1.00 37.60 C ATOM 1415 C LYS A 94 29.716 -5.771 2.327 1.00 37.58 C ATOM 1416 O LYS A 94 29.055 -5.981 3.345 1.00 37.48 O ATOM 1417 CB LYS A 94 30.728 -3.535 1.859 1.00 37.42 C ATOM 1418 CG LYS A 94 29.622 -2.798 2.596 1.00 37.58 C ATOM 1419 CD LYS A 94 29.388 -1.415 2.011 1.00 37.89 C ATOM 1420 CE LYS A 94 28.288 -0.676 2.754 1.00 38.14 C ATOM 1421 NZ LYS A 94 28.607 -0.511 4.199 1.00 37.97 N ATOM 0 H LYS A 94 32.464 -4.971 0.906 1.00 37.98 H new ATOM 0 HA LYS A 94 31.286 -4.897 3.451 1.00 37.60 H new ATOM 0 HB2 LYS A 94 31.646 -2.950 1.919 1.00 37.42 H new ATOM 0 HB3 LYS A 94 30.464 -3.607 0.804 1.00 37.42 H new ATOM 0 HG2 LYS A 94 28.700 -3.377 2.544 1.00 37.58 H new ATOM 0 HG3 LYS A 94 29.883 -2.709 3.651 1.00 37.58 H new ATOM 0 HD2 LYS A 94 30.311 -0.838 2.058 1.00 37.89 H new ATOM 0 HD3 LYS A 94 29.121 -1.504 0.958 1.00 37.89 H new ATOM 0 HE2 LYS A 94 28.139 0.304 2.301 1.00 38.14 H new ATOM 0 HE3 LYS A 94 27.350 -1.221 2.649 1.00 38.14 H new ATOM 0 HZ1 LYS A 94 28.409 0.468 4.489 1.00 37.97 H new ATOM 0 HZ2 LYS A 94 28.023 -1.163 4.760 1.00 37.97 H new ATOM 0 HZ3 LYS A 94 29.613 -0.722 4.359 1.00 37.97 H new ATOM 1435 N ASP A 95 29.362 -6.246 1.133 1.00 37.52 N ATOM 1436 CA ASP A 95 28.134 -7.024 0.968 1.00 37.25 C ATOM 1437 C ASP A 95 28.253 -8.430 1.557 1.00 36.96 C ATOM 1438 O ASP A 95 27.252 -9.136 1.685 1.00 37.48 O ATOM 1439 CB ASP A 95 27.752 -7.104 -0.512 1.00 37.28 C ATOM 1440 CG ASP A 95 28.945 -7.370 -1.407 1.00 37.47 C ATOM 1441 OD1 ASP A 95 29.356 -8.543 -1.515 1.00 37.48 O ATOM 1442 OD2 ASP A 95 29.468 -6.405 -2.002 1.00 36.71 O ATOM 0 H ASP A 95 29.899 -6.109 0.277 1.00 37.52 H new ATOM 0 HA ASP A 95 27.349 -6.507 1.519 1.00 37.25 H new ATOM 0 HB2 ASP A 95 27.015 -7.894 -0.651 1.00 37.28 H new ATOM 0 HB3 ASP A 95 27.278 -6.169 -0.812 1.00 37.28 H new ATOM 1447 N GLY A 96 29.471 -8.824 1.925 1.00 36.57 N ATOM 1448 CA GLY A 96 29.689 -10.130 2.528 1.00 36.07 C ATOM 1449 C GLY A 96 29.229 -11.295 1.667 1.00 35.72 C ATOM 1450 O GLY A 96 28.509 -12.171 2.147 1.00 35.46 O ATOM 0 H GLY A 96 30.314 -8.260 1.816 1.00 36.57 H new ATOM 0 HA2 GLY A 96 30.751 -10.247 2.741 1.00 36.07 H new ATOM 0 HA3 GLY A 96 29.166 -10.169 3.483 1.00 36.07 H new ATOM 1454 N ASN A 97 29.634 -11.319 0.401 1.00 35.32 N ATOM 1455 CA ASN A 97 29.241 -12.408 -0.489 1.00 35.07 C ATOM 1456 C ASN A 97 30.312 -13.495 -0.522 1.00 34.82 C ATOM 1457 O ASN A 97 30.140 -14.530 -1.166 1.00 35.00 O ATOM 1458 CB ASN A 97 28.964 -11.893 -1.907 1.00 34.76 C ATOM 1459 CG ASN A 97 30.219 -11.450 -2.636 1.00 34.73 C ATOM 1460 OD1 ASN A 97 31.130 -10.882 -2.040 1.00 32.82 O ATOM 1461 ND2 ASN A 97 30.270 -11.711 -3.936 1.00 33.67 N ATOM 0 H ASN A 97 30.226 -10.608 -0.028 1.00 35.32 H new ATOM 0 HA ASN A 97 28.320 -12.839 -0.097 1.00 35.07 H new ATOM 0 HB2 ASN A 97 28.475 -12.678 -2.483 1.00 34.76 H new ATOM 0 HB3 ASN A 97 28.268 -11.056 -1.853 1.00 34.76 H new ATOM 0 HD21 ASN A 97 31.089 -11.437 -4.479 1.00 33.67 H new ATOM 0 HD22 ASN A 97 29.490 -12.185 -4.392 1.00 33.67 H new ATOM 1468 N GLY A 98 31.418 -13.252 0.178 1.00 34.83 N ATOM 1469 CA GLY A 98 32.495 -14.223 0.230 1.00 34.52 C ATOM 1470 C GLY A 98 33.561 -13.992 -0.824 1.00 34.10 C ATOM 1471 O GLY A 98 34.529 -14.744 -0.899 1.00 33.79 O ATOM 0 H GLY A 98 31.586 -12.398 0.710 1.00 34.83 H new ATOM 0 HA2 GLY A 98 32.957 -14.191 1.217 1.00 34.52 H new ATOM 0 HA3 GLY A 98 32.080 -15.223 0.104 1.00 34.52 H new ATOM 1475 N TYR A 99 33.390 -12.955 -1.639 1.00 33.79 N ATOM 1476 CA TYR A 99 34.353 -12.651 -2.695 1.00 33.72 C ATOM 1477 C TYR A 99 34.641 -11.154 -2.782 1.00 34.27 C ATOM 1478 O TYR A 99 33.726 -10.334 -2.787 1.00 35.05 O ATOM 1479 CB TYR A 99 33.835 -13.152 -4.044 1.00 33.54 C ATOM 1480 CG TYR A 99 34.004 -14.639 -4.255 1.00 32.94 C ATOM 1481 CD1 TYR A 99 35.221 -15.166 -4.665 1.00 32.93 C ATOM 1482 CD2 TYR A 99 32.945 -15.515 -4.050 1.00 32.14 C ATOM 1483 CE1 TYR A 99 35.380 -16.523 -4.864 1.00 31.79 C ATOM 1484 CE2 TYR A 99 33.097 -16.874 -4.245 1.00 31.84 C ATOM 1485 CZ TYR A 99 34.317 -17.373 -4.653 1.00 31.96 C ATOM 1486 OH TYR A 99 34.472 -18.726 -4.850 1.00 32.44 O ATOM 0 H TYR A 99 32.598 -12.314 -1.590 1.00 33.79 H new ATOM 0 HA TYR A 99 35.283 -13.162 -2.446 1.00 33.72 H new ATOM 0 HB2 TYR A 99 32.778 -12.901 -4.131 1.00 33.54 H new ATOM 0 HB3 TYR A 99 34.355 -12.621 -4.841 1.00 33.54 H new ATOM 0 HD1 TYR A 99 36.058 -14.503 -4.831 1.00 32.93 H new ATOM 0 HD2 TYR A 99 31.988 -15.127 -3.733 1.00 32.14 H new ATOM 0 HE1 TYR A 99 36.334 -16.916 -5.184 1.00 31.79 H new ATOM 0 HE2 TYR A 99 32.265 -17.543 -4.079 1.00 31.84 H new ATOM 0 HH TYR A 99 33.627 -19.184 -4.657 1.00 32.44 H new ATOM 1496 N ILE A 100 35.921 -10.807 -2.856 1.00 34.21 N ATOM 1497 CA ILE A 100 36.332 -9.412 -2.954 1.00 34.15 C ATOM 1498 C ILE A 100 36.664 -9.049 -4.396 1.00 34.18 C ATOM 1499 O ILE A 100 37.671 -9.502 -4.940 1.00 34.13 O ATOM 1500 CB ILE A 100 37.563 -9.115 -2.076 1.00 34.00 C ATOM 1501 CG1 ILE A 100 37.291 -9.495 -0.622 1.00 34.37 C ATOM 1502 CG2 ILE A 100 37.945 -7.645 -2.176 1.00 34.58 C ATOM 1503 CD1 ILE A 100 38.472 -9.250 0.291 1.00 33.76 C ATOM 0 H ILE A 100 36.693 -11.474 -2.850 1.00 34.21 H new ATOM 0 HA ILE A 100 35.494 -8.812 -2.601 1.00 34.15 H new ATOM 0 HB ILE A 100 38.396 -9.717 -2.439 1.00 34.00 H new ATOM 0 HG12 ILE A 100 36.435 -8.926 -0.259 1.00 34.37 H new ATOM 0 HG13 ILE A 100 37.016 -10.549 -0.574 1.00 34.37 H new ATOM 0 HG21 ILE A 100 38.816 -7.452 -1.550 1.00 34.58 H new ATOM 0 HG22 ILE A 100 38.181 -7.400 -3.212 1.00 34.58 H new ATOM 0 HG23 ILE A 100 37.112 -7.029 -1.838 1.00 34.58 H new ATOM 0 HD11 ILE A 100 38.212 -9.541 1.309 1.00 33.76 H new ATOM 0 HD12 ILE A 100 39.323 -9.840 -0.049 1.00 33.76 H new ATOM 0 HD13 ILE A 100 38.733 -8.192 0.272 1.00 33.76 H new ATOM 1515 N SER A 101 35.811 -8.243 -5.019 1.00 33.98 N ATOM 1516 CA SER A 101 36.033 -7.823 -6.396 1.00 34.02 C ATOM 1517 C SER A 101 36.998 -6.644 -6.461 1.00 34.15 C ATOM 1518 O SER A 101 37.367 -6.072 -5.434 1.00 34.29 O ATOM 1519 CB SER A 101 34.707 -7.445 -7.057 1.00 33.91 C ATOM 1520 OG SER A 101 34.109 -6.340 -6.404 1.00 34.27 O ATOM 0 H SER A 101 34.963 -7.869 -4.593 1.00 33.98 H new ATOM 0 HA SER A 101 36.476 -8.661 -6.934 1.00 34.02 H new ATOM 0 HB2 SER A 101 34.876 -7.203 -8.106 1.00 33.91 H new ATOM 0 HB3 SER A 101 34.028 -8.297 -7.031 1.00 33.91 H new ATOM 0 HG SER A 101 33.264 -6.117 -6.846 1.00 34.27 H new ATOM 1526 N ALA A 102 37.410 -6.297 -7.678 1.00 34.29 N ATOM 1527 CA ALA A 102 38.331 -5.186 -7.899 1.00 34.56 C ATOM 1528 C ALA A 102 37.732 -3.855 -7.450 1.00 34.66 C ATOM 1529 O ALA A 102 38.451 -2.959 -7.014 1.00 34.96 O ATOM 1530 CB ALA A 102 38.727 -5.115 -9.366 1.00 34.63 C ATOM 0 H ALA A 102 37.118 -6.773 -8.531 1.00 34.29 H new ATOM 0 HA ALA A 102 39.219 -5.369 -7.295 1.00 34.56 H new ATOM 0 HB1 ALA A 102 39.414 -4.282 -9.518 1.00 34.63 H new ATOM 0 HB2 ALA A 102 39.215 -6.045 -9.657 1.00 34.63 H new ATOM 0 HB3 ALA A 102 37.836 -4.966 -9.977 1.00 34.63 H new ATOM 1536 N ALA A 103 36.413 -3.730 -7.562 1.00 34.58 N ATOM 1537 CA ALA A 103 35.726 -2.505 -7.170 1.00 34.04 C ATOM 1538 C ALA A 103 35.735 -2.315 -5.655 1.00 33.92 C ATOM 1539 O ALA A 103 35.870 -1.194 -5.166 1.00 32.98 O ATOM 1540 CB ALA A 103 34.298 -2.516 -7.690 1.00 34.23 C ATOM 0 H ALA A 103 35.799 -4.462 -7.921 1.00 34.58 H new ATOM 0 HA ALA A 103 36.263 -1.666 -7.612 1.00 34.04 H new ATOM 0 HB1 ALA A 103 33.795 -1.596 -7.391 1.00 34.23 H new ATOM 0 HB2 ALA A 103 34.307 -2.588 -8.778 1.00 34.23 H new ATOM 0 HB3 ALA A 103 33.766 -3.372 -7.275 1.00 34.23 H new ATOM 1546 N GLU A 104 35.588 -3.413 -4.917 1.00 33.55 N ATOM 1547 CA GLU A 104 35.578 -3.360 -3.457 1.00 33.92 C ATOM 1548 C GLU A 104 36.964 -3.055 -2.896 1.00 34.39 C ATOM 1549 O GLU A 104 37.100 -2.264 -1.964 1.00 34.24 O ATOM 1550 CB GLU A 104 35.067 -4.680 -2.884 1.00 34.03 C ATOM 1551 CG GLU A 104 33.647 -5.013 -3.303 1.00 34.22 C ATOM 1552 CD GLU A 104 33.109 -6.242 -2.602 1.00 34.00 C ATOM 1553 OE1 GLU A 104 33.416 -7.364 -3.054 1.00 35.32 O ATOM 1554 OE2 GLU A 104 32.382 -6.082 -1.600 1.00 36.13 O ATOM 0 H GLU A 104 35.474 -4.349 -5.305 1.00 33.55 H new ATOM 0 HA GLU A 104 34.909 -2.552 -3.161 1.00 33.92 H new ATOM 0 HB2 GLU A 104 35.729 -5.485 -3.202 1.00 34.03 H new ATOM 0 HB3 GLU A 104 35.116 -4.638 -1.796 1.00 34.03 H new ATOM 0 HG2 GLU A 104 32.999 -4.163 -3.088 1.00 34.22 H new ATOM 0 HG3 GLU A 104 33.617 -5.171 -4.381 1.00 34.22 H new ATOM 1561 N LEU A 105 37.985 -3.695 -3.460 1.00 34.53 N ATOM 1562 CA LEU A 105 39.361 -3.488 -3.017 1.00 34.88 C ATOM 1563 C LEU A 105 39.801 -2.044 -3.256 1.00 35.14 C ATOM 1564 O LEU A 105 40.420 -1.424 -2.392 1.00 35.27 O ATOM 1565 CB LEU A 105 40.300 -4.452 -3.747 1.00 34.98 C ATOM 1566 CG LEU A 105 41.750 -4.446 -3.257 1.00 34.49 C ATOM 1567 CD1 LEU A 105 41.825 -4.885 -1.804 1.00 34.13 C ATOM 1568 CD2 LEU A 105 42.610 -5.345 -4.131 1.00 34.56 C ATOM 0 H LEU A 105 37.885 -4.362 -4.225 1.00 34.53 H new ATOM 0 HA LEU A 105 39.408 -3.686 -1.946 1.00 34.88 H new ATOM 0 HB2 LEU A 105 39.904 -5.463 -3.649 1.00 34.98 H new ATOM 0 HB3 LEU A 105 40.291 -4.208 -4.809 1.00 34.98 H new ATOM 0 HG LEU A 105 42.133 -3.428 -3.327 1.00 34.49 H new ATOM 0 HD11 LEU A 105 42.864 -4.874 -1.474 1.00 34.13 H new ATOM 0 HD12 LEU A 105 41.241 -4.202 -1.187 1.00 34.13 H new ATOM 0 HD13 LEU A 105 41.424 -5.894 -1.708 1.00 34.13 H new ATOM 0 HD21 LEU A 105 43.638 -5.329 -3.769 1.00 34.56 H new ATOM 0 HD22 LEU A 105 42.227 -6.365 -4.092 1.00 34.56 H new ATOM 0 HD23 LEU A 105 42.582 -4.986 -5.160 1.00 34.56 H new ATOM 1580 N ARG A 106 39.482 -1.525 -4.440 0.50 34.90 N ATOM 1581 CA ARG A 106 39.829 -0.152 -4.803 0.50 35.02 C ATOM 1582 C ARG A 106 39.118 0.864 -3.911 0.50 35.48 C ATOM 1583 O ARG A 106 39.670 1.916 -3.599 0.50 35.37 O ATOM 1584 CB ARG A 106 39.470 0.116 -6.265 0.50 35.08 C ATOM 1585 CG ARG A 106 39.903 1.488 -6.752 0.50 34.74 C ATOM 1586 CD ARG A 106 39.432 1.752 -8.171 0.50 34.55 C ATOM 1587 NE ARG A 106 39.943 3.019 -8.685 0.50 34.04 N ATOM 1588 CZ ARG A 106 39.172 4.064 -8.964 0.50 33.87 C ATOM 1589 NH1 ARG A 106 37.862 3.993 -8.775 0.50 33.14 N ATOM 1590 NH2 ARG A 106 39.712 5.182 -9.430 0.50 34.24 N ATOM 0 H ARG A 106 38.982 -2.037 -5.167 0.50 34.90 H new ATOM 0 HA ARG A 106 40.904 -0.039 -4.661 0.50 35.02 H new ATOM 0 HB2 ARG A 106 39.934 -0.646 -6.891 0.50 35.08 H new ATOM 0 HB3 ARG A 106 38.392 0.018 -6.390 0.50 35.08 H new ATOM 0 HG2 ARG A 106 39.503 2.254 -6.087 0.50 34.74 H new ATOM 0 HG3 ARG A 106 40.989 1.564 -6.709 0.50 34.74 H new ATOM 0 HD2 ARG A 106 39.758 0.939 -8.819 0.50 34.55 H new ATOM 0 HD3 ARG A 106 38.342 1.762 -8.196 0.50 34.55 H new ATOM 0 HE ARG A 106 40.948 3.107 -8.838 0.50 34.04 H new ATOM 0 HH11 ARG A 106 37.444 3.135 -8.415 0.50 33.14 H new ATOM 0 HH12 ARG A 106 37.271 4.796 -8.990 0.50 33.14 H new ATOM 0 HH21 ARG A 106 40.720 5.240 -9.574 0.50 34.24 H new ATOM 0 HH22 ARG A 106 39.119 5.984 -9.644 0.50 34.24 H new ATOM 1604 N HIS A 107 37.897 0.535 -3.502 1.00 35.91 N ATOM 1605 CA HIS A 107 37.105 1.423 -2.655 1.00 37.00 C ATOM 1606 C HIS A 107 37.752 1.605 -1.285 1.00 37.37 C ATOM 1607 O HIS A 107 37.849 2.722 -0.780 1.00 37.59 O ATOM 1608 CB HIS A 107 35.688 0.870 -2.493 1.00 37.35 C ATOM 1609 CG HIS A 107 34.840 1.654 -1.539 1.00 37.86 C ATOM 1610 ND1 HIS A 107 34.441 1.166 -0.313 1.00 38.02 N ATOM 1611 CD2 HIS A 107 34.313 2.897 -1.638 1.00 38.51 C ATOM 1612 CE1 HIS A 107 33.705 2.075 0.302 1.00 39.38 C ATOM 1613 NE2 HIS A 107 33.613 3.134 -0.481 1.00 38.35 N ATOM 0 H HIS A 107 37.433 -0.341 -3.743 1.00 35.91 H new ATOM 0 HA HIS A 107 37.059 2.398 -3.141 1.00 37.00 H new ATOM 0 HB2 HIS A 107 35.201 0.853 -3.468 1.00 37.35 H new ATOM 0 HB3 HIS A 107 35.748 -0.162 -2.148 1.00 37.35 H new ATOM 0 HD2 HIS A 107 34.423 3.575 -2.471 1.00 38.51 H new ATOM 0 HE1 HIS A 107 33.256 1.970 1.278 1.00 39.38 H new ATOM 0 HE2 HIS A 107 33.104 3.990 -0.262 1.00 38.35 H new ATOM 1622 N VAL A 108 38.198 0.500 -0.696 1.00 37.94 N ATOM 1623 CA VAL A 108 38.837 0.534 0.614 1.00 38.59 C ATOM 1624 C VAL A 108 40.182 1.256 0.563 1.00 38.65 C ATOM 1625 O VAL A 108 40.510 2.029 1.463 1.00 38.71 O ATOM 1626 CB VAL A 108 39.041 -0.886 1.172 1.00 38.98 C ATOM 1627 CG1 VAL A 108 39.691 -0.837 2.546 1.00 39.37 C ATOM 1628 CG2 VAL A 108 37.715 -1.624 1.230 1.00 38.74 C ATOM 0 H VAL A 108 38.128 -0.431 -1.106 1.00 37.94 H new ATOM 0 HA VAL A 108 38.169 1.084 1.276 1.00 38.59 H new ATOM 0 HB VAL A 108 39.709 -1.428 0.503 1.00 38.98 H new ATOM 0 HG11 VAL A 108 39.826 -1.851 2.921 1.00 39.37 H new ATOM 0 HG12 VAL A 108 40.661 -0.346 2.472 1.00 39.37 H new ATOM 0 HG13 VAL A 108 39.053 -0.279 3.231 1.00 39.37 H new ATOM 0 HG21 VAL A 108 37.874 -2.627 1.626 1.00 38.74 H new ATOM 0 HG22 VAL A 108 37.025 -1.083 1.878 1.00 38.74 H new ATOM 0 HG23 VAL A 108 37.293 -1.693 0.227 1.00 38.74 H new ATOM 1638 N MET A 109 40.951 1.006 -0.495 1.00 38.86 N ATOM 1639 CA MET A 109 42.258 1.639 -0.660 1.00 39.53 C ATOM 1640 C MET A 109 42.117 3.150 -0.823 1.00 39.53 C ATOM 1641 O MET A 109 42.935 3.915 -0.313 1.00 38.97 O ATOM 1642 CB MET A 109 42.985 1.048 -1.868 1.00 40.10 C ATOM 1643 CG MET A 109 44.235 0.265 -1.501 1.00 41.20 C ATOM 1644 SD MET A 109 45.449 1.270 -0.625 1.00 43.90 S ATOM 1645 CE MET A 109 46.810 0.114 -0.484 1.00 42.96 C ATOM 0 H MET A 109 40.692 0.371 -1.250 1.00 38.86 H new ATOM 0 HA MET A 109 42.844 1.444 0.238 1.00 39.53 H new ATOM 0 HB2 MET A 109 42.302 0.393 -2.409 1.00 40.10 H new ATOM 0 HB3 MET A 109 43.258 1.855 -2.548 1.00 40.10 H new ATOM 0 HG2 MET A 109 43.957 -0.586 -0.880 1.00 41.20 H new ATOM 0 HG3 MET A 109 44.687 -0.137 -2.408 1.00 41.20 H new ATOM 0 HE1 MET A 109 47.640 0.591 0.037 1.00 42.96 H new ATOM 0 HE2 MET A 109 46.486 -0.763 0.076 1.00 42.96 H new ATOM 0 HE3 MET A 109 47.134 -0.190 -1.479 1.00 42.96 H new ATOM 1655 N THR A 110 41.085 3.567 -1.552 1.00 39.68 N ATOM 1656 CA THR A 110 40.816 4.986 -1.771 1.00 39.96 C ATOM 1657 C THR A 110 40.502 5.686 -0.450 1.00 40.19 C ATOM 1658 O THR A 110 40.890 6.835 -0.234 1.00 40.59 O ATOM 1659 CB THR A 110 39.645 5.189 -2.754 1.00 40.03 C ATOM 1660 OG1 THR A 110 40.010 4.709 -4.053 1.00 39.71 O ATOM 1661 CG2 THR A 110 39.253 6.656 -2.850 1.00 40.15 C ATOM 0 H THR A 110 40.419 2.940 -2.003 1.00 39.68 H new ATOM 0 HA THR A 110 41.714 5.425 -2.205 1.00 39.96 H new ATOM 0 HB THR A 110 38.790 4.627 -2.378 1.00 40.03 H new ATOM 0 HG1 THR A 110 39.932 3.732 -4.075 1.00 39.71 H new ATOM 0 HG21 THR A 110 38.425 6.766 -3.550 1.00 40.15 H new ATOM 0 HG22 THR A 110 38.947 7.016 -1.868 1.00 40.15 H new ATOM 0 HG23 THR A 110 40.105 7.238 -3.201 1.00 40.15 H new ATOM 1669 N ASN A 111 39.808 4.975 0.438 1.00 39.97 N ATOM 1670 CA ASN A 111 39.451 5.513 1.748 1.00 39.79 C ATOM 1671 C ASN A 111 40.691 5.667 2.626 1.00 40.02 C ATOM 1672 O ASN A 111 40.737 6.524 3.509 1.00 40.00 O ATOM 1673 CB ASN A 111 38.440 4.595 2.437 1.00 39.46 C ATOM 1674 CG ASN A 111 37.105 4.557 1.721 1.00 38.99 C ATOM 1675 OD1 ASN A 111 36.397 3.551 1.760 1.00 38.43 O ATOM 1676 ND2 ASN A 111 36.752 5.655 1.063 1.00 37.42 N ATOM 0 H ASN A 111 39.482 4.023 0.272 1.00 39.97 H new ATOM 0 HA ASN A 111 39.003 6.496 1.603 1.00 39.79 H new ATOM 0 HB2 ASN A 111 38.848 3.586 2.490 1.00 39.46 H new ATOM 0 HB3 ASN A 111 38.289 4.932 3.462 1.00 39.46 H new ATOM 0 HD21 ASN A 111 35.863 5.687 0.564 1.00 37.42 H new ATOM 0 HD22 ASN A 111 37.370 6.467 1.057 1.00 37.42 H new ATOM 1683 N LEU A 112 41.689 4.824 2.375 1.00 40.23 N ATOM 1684 CA LEU A 112 42.940 4.865 3.126 1.00 40.40 C ATOM 1685 C LEU A 112 43.767 6.081 2.721 1.00 40.80 C ATOM 1686 O LEU A 112 44.510 6.637 3.529 1.00 40.79 O ATOM 1687 CB LEU A 112 43.748 3.587 2.893 1.00 40.29 C ATOM 1688 CG LEU A 112 43.025 2.287 3.248 1.00 39.92 C ATOM 1689 CD1 LEU A 112 43.938 1.091 3.032 1.00 39.10 C ATOM 1690 CD2 LEU A 112 42.528 2.330 4.683 1.00 40.08 C ATOM 0 H LEU A 112 41.655 4.102 1.655 1.00 40.23 H new ATOM 0 HA LEU A 112 42.697 4.940 4.186 1.00 40.40 H new ATOM 0 HB2 LEU A 112 44.040 3.547 1.844 1.00 40.29 H new ATOM 0 HB3 LEU A 112 44.666 3.645 3.477 1.00 40.29 H new ATOM 0 HG LEU A 112 42.163 2.181 2.589 1.00 39.92 H new ATOM 0 HD11 LEU A 112 43.406 0.176 3.290 1.00 39.10 H new ATOM 0 HD12 LEU A 112 44.244 1.051 1.986 1.00 39.10 H new ATOM 0 HD13 LEU A 112 44.820 1.188 3.664 1.00 39.10 H new ATOM 0 HD21 LEU A 112 42.016 1.397 4.919 1.00 40.08 H new ATOM 0 HD22 LEU A 112 43.374 2.460 5.357 1.00 40.08 H new ATOM 0 HD23 LEU A 112 41.837 3.164 4.804 1.00 40.08 H new ATOM 1702 N GLY A 113 43.627 6.490 1.464 1.00 41.20 N ATOM 1703 CA GLY A 113 44.362 7.637 0.969 1.00 41.90 C ATOM 1704 C GLY A 113 44.963 7.391 -0.401 1.00 42.56 C ATOM 1705 O GLY A 113 45.176 8.329 -1.169 1.00 42.71 O ATOM 0 H GLY A 113 43.016 6.046 0.779 1.00 41.20 H new ATOM 0 HA2 GLY A 113 43.696 8.499 0.921 1.00 41.90 H new ATOM 0 HA3 GLY A 113 45.157 7.887 1.672 1.00 41.90 H new ATOM 1709 N GLU A 114 45.237 6.128 -0.706 1.00 43.19 N ATOM 1710 CA GLU A 114 45.819 5.760 -1.991 1.00 43.81 C ATOM 1711 C GLU A 114 44.733 5.561 -3.045 1.00 44.07 C ATOM 1712 O GLU A 114 44.005 4.570 -3.020 1.00 44.32 O ATOM 1713 CB GLU A 114 46.651 4.486 -1.847 1.00 43.93 C ATOM 1714 CG GLU A 114 47.499 4.168 -3.067 1.00 44.27 C ATOM 1715 CD GLU A 114 48.394 2.964 -2.852 1.00 44.22 C ATOM 1716 OE1 GLU A 114 49.008 2.867 -1.769 1.00 44.94 O ATOM 1717 OE2 GLU A 114 48.484 2.119 -3.768 1.00 44.25 O ATOM 0 H GLU A 114 45.065 5.341 -0.080 1.00 43.19 H new ATOM 0 HA GLU A 114 46.467 6.574 -2.317 1.00 43.81 H new ATOM 0 HB2 GLU A 114 47.302 4.584 -0.979 1.00 43.93 H new ATOM 0 HB3 GLU A 114 45.983 3.647 -1.651 1.00 43.93 H new ATOM 0 HG2 GLU A 114 46.847 3.985 -3.921 1.00 44.27 H new ATOM 0 HG3 GLU A 114 48.113 5.034 -3.315 1.00 44.27 H new ATOM 1724 N LYS A 115 44.633 6.509 -3.971 1.00 44.40 N ATOM 1725 CA LYS A 115 43.634 6.440 -5.032 1.00 44.60 C ATOM 1726 C LYS A 115 44.217 5.804 -6.290 1.00 44.72 C ATOM 1727 O LYS A 115 44.453 6.482 -7.290 1.00 44.68 O ATOM 1728 CB LYS A 115 43.098 7.836 -5.348 1.00 44.66 C ATOM 1729 CG LYS A 115 42.458 8.522 -4.153 1.00 44.73 C ATOM 1730 CD LYS A 115 41.927 9.897 -4.517 1.00 44.65 C ATOM 1731 CE LYS A 115 41.282 10.579 -3.321 1.00 44.70 C ATOM 1732 NZ LYS A 115 40.753 11.926 -3.669 1.00 44.65 N ATOM 0 H LYS A 115 45.231 7.334 -4.008 1.00 44.40 H new ATOM 0 HA LYS A 115 42.812 5.816 -4.683 1.00 44.60 H new ATOM 0 HB2 LYS A 115 43.915 8.455 -5.718 1.00 44.66 H new ATOM 0 HB3 LYS A 115 42.365 7.762 -6.151 1.00 44.66 H new ATOM 0 HG2 LYS A 115 41.644 7.906 -3.772 1.00 44.73 H new ATOM 0 HG3 LYS A 115 43.190 8.615 -3.351 1.00 44.73 H new ATOM 0 HD2 LYS A 115 42.742 10.515 -4.894 1.00 44.65 H new ATOM 0 HD3 LYS A 115 41.198 9.805 -5.322 1.00 44.65 H new ATOM 0 HE2 LYS A 115 40.471 9.957 -2.942 1.00 44.70 H new ATOM 0 HE3 LYS A 115 42.013 10.672 -2.518 1.00 44.70 H new ATOM 0 HZ1 LYS A 115 40.321 12.358 -2.827 1.00 44.65 H new ATOM 0 HZ2 LYS A 115 41.531 12.528 -4.006 1.00 44.65 H new ATOM 0 HZ3 LYS A 115 40.036 11.835 -4.417 1.00 44.65 H new ATOM 1746 N LEU A 116 44.458 4.498 -6.220 1.00 45.00 N ATOM 1747 CA LEU A 116 45.017 3.748 -7.340 1.00 45.17 C ATOM 1748 C LEU A 116 44.024 3.621 -8.496 1.00 45.23 C ATOM 1749 O LEU A 116 42.820 3.810 -8.324 1.00 45.52 O ATOM 1750 CB LEU A 116 45.462 2.353 -6.882 1.00 45.25 C ATOM 1751 CG LEU A 116 44.965 1.919 -5.497 1.00 45.19 C ATOM 1752 CD1 LEU A 116 43.469 1.642 -5.514 1.00 45.32 C ATOM 1753 CD2 LEU A 116 45.726 0.689 -5.026 1.00 45.16 C ATOM 0 H LEU A 116 44.273 3.933 -5.391 1.00 45.00 H new ATOM 0 HA LEU A 116 45.882 4.305 -7.701 1.00 45.17 H new ATOM 0 HB2 LEU A 116 45.120 1.623 -7.616 1.00 45.25 H new ATOM 0 HB3 LEU A 116 46.552 2.320 -6.884 1.00 45.25 H new ATOM 0 HG LEU A 116 45.149 2.736 -4.799 1.00 45.19 H new ATOM 0 HD11 LEU A 116 43.144 1.336 -4.519 1.00 45.32 H new ATOM 0 HD12 LEU A 116 42.935 2.545 -5.808 1.00 45.32 H new ATOM 0 HD13 LEU A 116 43.255 0.845 -6.226 1.00 45.32 H new ATOM 0 HD21 LEU A 116 45.364 0.392 -4.042 1.00 45.16 H new ATOM 0 HD22 LEU A 116 45.571 -0.127 -5.732 1.00 45.16 H new ATOM 0 HD23 LEU A 116 46.790 0.920 -4.966 1.00 45.16 H new ATOM 1765 N THR A 117 44.552 3.298 -9.673 1.00 45.10 N ATOM 1766 CA THR A 117 43.735 3.134 -10.873 1.00 44.85 C ATOM 1767 C THR A 117 42.970 1.812 -10.833 1.00 44.67 C ATOM 1768 O THR A 117 43.373 0.878 -10.143 1.00 44.60 O ATOM 1769 CB THR A 117 44.608 3.180 -12.144 1.00 44.82 C ATOM 1770 OG1 THR A 117 45.621 4.182 -12.003 1.00 44.69 O ATOM 1771 CG2 THR A 117 43.769 3.484 -13.377 1.00 44.72 C ATOM 0 H THR A 117 45.549 3.144 -9.822 1.00 45.10 H new ATOM 0 HA THR A 117 43.023 3.959 -10.900 1.00 44.85 H new ATOM 0 HB THR A 117 45.069 2.201 -12.270 1.00 44.82 H new ATOM 0 HG1 THR A 117 46.373 3.817 -11.491 1.00 44.69 H new ATOM 0 HG21 THR A 117 44.412 3.510 -14.257 1.00 44.72 H new ATOM 0 HG22 THR A 117 43.013 2.709 -13.503 1.00 44.72 H new ATOM 0 HG23 THR A 117 43.281 4.451 -13.256 1.00 44.72 H new ATOM 1779 N ASP A 118 41.867 1.741 -11.580 1.00 44.55 N ATOM 1780 CA ASP A 118 41.037 0.537 -11.631 1.00 44.39 C ATOM 1781 C ASP A 118 41.810 -0.648 -12.204 1.00 44.14 C ATOM 1782 O ASP A 118 41.656 -1.780 -11.743 1.00 44.00 O ATOM 1783 CB ASP A 118 39.791 0.789 -12.482 1.00 44.46 C ATOM 1784 CG ASP A 118 38.924 1.906 -11.936 1.00 44.68 C ATOM 1785 OD1 ASP A 118 39.201 3.082 -12.254 1.00 44.92 O ATOM 1786 OD2 ASP A 118 37.966 1.604 -11.195 1.00 44.50 O ATOM 0 H ASP A 118 41.527 2.508 -12.161 1.00 44.55 H new ATOM 0 HA ASP A 118 40.742 0.296 -10.610 1.00 44.39 H new ATOM 0 HB2 ASP A 118 40.095 1.035 -13.499 1.00 44.46 H new ATOM 0 HB3 ASP A 118 39.203 -0.127 -12.538 1.00 44.46 H new ATOM 1791 N GLU A 119 42.630 -0.379 -13.216 1.00 43.87 N ATOM 1792 CA GLU A 119 43.430 -1.417 -13.859 1.00 43.66 C ATOM 1793 C GLU A 119 44.456 -2.008 -12.896 1.00 43.25 C ATOM 1794 O GLU A 119 44.697 -3.214 -12.902 1.00 43.33 O ATOM 1795 CB GLU A 119 44.137 -0.850 -15.092 1.00 43.81 C ATOM 1796 CG GLU A 119 44.927 -1.887 -15.874 1.00 44.07 C ATOM 1797 CD GLU A 119 44.059 -3.023 -16.382 1.00 44.26 C ATOM 1798 OE1 GLU A 119 43.313 -2.807 -17.360 1.00 44.17 O ATOM 1799 OE2 GLU A 119 44.125 -4.127 -15.801 1.00 44.50 O ATOM 0 H GLU A 119 42.758 0.553 -13.610 1.00 43.87 H new ATOM 0 HA GLU A 119 42.755 -2.216 -14.165 1.00 43.66 H new ATOM 0 HB2 GLU A 119 43.394 -0.399 -15.751 1.00 43.81 H new ATOM 0 HB3 GLU A 119 44.811 -0.053 -14.779 1.00 43.81 H new ATOM 0 HG2 GLU A 119 45.417 -1.403 -16.719 1.00 44.07 H new ATOM 0 HG3 GLU A 119 45.714 -2.293 -15.239 1.00 44.07 H new ATOM 1806 N GLU A 120 45.053 -1.154 -12.068 1.00 42.67 N ATOM 1807 CA GLU A 120 46.057 -1.596 -11.105 1.00 42.33 C ATOM 1808 C GLU A 120 45.451 -2.527 -10.059 1.00 41.98 C ATOM 1809 O GLU A 120 46.090 -3.486 -9.629 1.00 41.86 O ATOM 1810 CB GLU A 120 46.699 -0.393 -10.414 1.00 42.30 C ATOM 1811 CG GLU A 120 47.370 0.574 -11.374 1.00 42.37 C ATOM 1812 CD GLU A 120 48.161 1.650 -10.657 1.00 42.42 C ATOM 1813 OE1 GLU A 120 47.539 2.608 -10.152 1.00 42.69 O ATOM 1814 OE2 GLU A 120 49.403 1.533 -10.598 1.00 42.83 O ATOM 0 H GLU A 120 44.859 -0.153 -12.045 1.00 42.67 H new ATOM 0 HA GLU A 120 46.821 -2.147 -11.654 1.00 42.33 H new ATOM 0 HB2 GLU A 120 45.935 0.141 -9.849 1.00 42.30 H new ATOM 0 HB3 GLU A 120 47.437 -0.749 -9.695 1.00 42.30 H new ATOM 0 HG2 GLU A 120 48.035 0.020 -12.037 1.00 42.37 H new ATOM 0 HG3 GLU A 120 46.612 1.042 -12.002 1.00 42.37 H new ATOM 1821 N VAL A 121 44.220 -2.235 -9.650 1.00 41.54 N ATOM 1822 CA VAL A 121 43.528 -3.049 -8.657 1.00 41.13 C ATOM 1823 C VAL A 121 43.152 -4.417 -9.215 1.00 40.59 C ATOM 1824 O VAL A 121 43.179 -5.415 -8.496 1.00 40.75 O ATOM 1825 CB VAL A 121 42.258 -2.349 -8.149 1.00 41.12 C ATOM 1826 CG1 VAL A 121 41.640 -3.127 -7.000 1.00 41.38 C ATOM 1827 CG2 VAL A 121 42.573 -0.928 -7.727 1.00 41.35 C ATOM 0 H VAL A 121 43.681 -1.439 -9.992 1.00 41.54 H new ATOM 0 HA VAL A 121 44.222 -3.184 -7.827 1.00 41.13 H new ATOM 0 HB VAL A 121 41.533 -2.314 -8.962 1.00 41.12 H new ATOM 0 HG11 VAL A 121 40.742 -2.614 -6.655 1.00 41.38 H new ATOM 0 HG12 VAL A 121 41.378 -4.129 -7.339 1.00 41.38 H new ATOM 0 HG13 VAL A 121 42.356 -3.196 -6.181 1.00 41.38 H new ATOM 0 HG21 VAL A 121 41.664 -0.445 -7.369 1.00 41.35 H new ATOM 0 HG22 VAL A 121 43.315 -0.942 -6.929 1.00 41.35 H new ATOM 0 HG23 VAL A 121 42.967 -0.374 -8.579 1.00 41.35 H new ATOM 1837 N ASP A 122 42.806 -4.464 -10.500 1.00 39.98 N ATOM 1838 CA ASP A 122 42.432 -5.719 -11.143 1.00 39.39 C ATOM 1839 C ASP A 122 43.644 -6.637 -11.260 1.00 38.46 C ATOM 1840 O ASP A 122 43.511 -7.858 -11.277 1.00 37.96 O ATOM 1841 CB ASP A 122 41.839 -5.452 -12.526 1.00 39.44 C ATOM 1842 CG ASP A 122 40.660 -6.355 -12.831 1.00 40.05 C ATOM 1843 OD1 ASP A 122 40.868 -7.579 -12.971 1.00 40.56 O ATOM 1844 OD2 ASP A 122 39.527 -5.839 -12.926 1.00 40.53 O ATOM 0 H ASP A 122 42.777 -3.650 -11.114 1.00 39.98 H new ATOM 0 HA ASP A 122 41.678 -6.211 -10.528 1.00 39.39 H new ATOM 0 HB2 ASP A 122 41.522 -4.411 -12.588 1.00 39.44 H new ATOM 0 HB3 ASP A 122 42.610 -5.596 -13.283 1.00 39.44 H new ATOM 1849 N GLU A 123 44.825 -6.030 -11.332 1.00 37.74 N ATOM 1850 CA GLU A 123 46.071 -6.780 -11.424 1.00 37.26 C ATOM 1851 C GLU A 123 46.365 -7.455 -10.090 1.00 36.91 C ATOM 1852 O GLU A 123 46.939 -8.543 -10.039 1.00 36.73 O ATOM 1853 CB GLU A 123 47.226 -5.858 -11.817 1.00 37.13 C ATOM 1854 CG GLU A 123 47.110 -5.308 -13.229 1.00 37.26 C ATOM 1855 CD GLU A 123 48.206 -4.315 -13.561 1.00 37.36 C ATOM 1856 OE1 GLU A 123 49.303 -4.754 -13.964 1.00 37.11 O ATOM 1857 OE2 GLU A 123 47.966 -3.098 -13.418 1.00 37.19 O ATOM 0 H GLU A 123 44.944 -5.017 -11.328 1.00 37.74 H new ATOM 0 HA GLU A 123 45.966 -7.543 -12.195 1.00 37.26 H new ATOM 0 HB2 GLU A 123 47.271 -5.026 -11.114 1.00 37.13 H new ATOM 0 HB3 GLU A 123 48.164 -6.405 -11.725 1.00 37.13 H new ATOM 0 HG2 GLU A 123 47.145 -6.133 -13.940 1.00 37.26 H new ATOM 0 HG3 GLU A 123 46.140 -4.826 -13.348 1.00 37.26 H new ATOM 1864 N MET A 124 45.961 -6.788 -9.012 1.00 36.71 N ATOM 1865 CA MET A 124 46.147 -7.305 -7.663 1.00 36.28 C ATOM 1866 C MET A 124 45.199 -8.472 -7.408 1.00 36.42 C ATOM 1867 O MET A 124 45.572 -9.463 -6.781 1.00 36.15 O ATOM 1868 CB MET A 124 45.901 -6.201 -6.634 1.00 36.39 C ATOM 1869 CG MET A 124 46.847 -5.020 -6.770 1.00 35.71 C ATOM 1870 SD MET A 124 46.366 -3.624 -5.736 1.00 35.50 S ATOM 1871 CE MET A 124 46.333 -4.394 -4.120 1.00 36.06 C ATOM 0 H MET A 124 45.498 -5.880 -9.050 1.00 36.71 H new ATOM 0 HA MET A 124 47.174 -7.657 -7.566 1.00 36.28 H new ATOM 0 HB2 MET A 124 44.875 -5.847 -6.732 1.00 36.39 H new ATOM 0 HB3 MET A 124 45.999 -6.621 -5.633 1.00 36.39 H new ATOM 0 HG2 MET A 124 47.856 -5.335 -6.503 1.00 35.71 H new ATOM 0 HG3 MET A 124 46.878 -4.702 -7.812 1.00 35.71 H new ATOM 0 HE1 MET A 124 45.999 -3.669 -3.378 1.00 36.06 H new ATOM 0 HE2 MET A 124 45.647 -5.241 -4.134 1.00 36.06 H new ATOM 0 HE3 MET A 124 47.333 -4.742 -3.862 1.00 36.06 H new ATOM 1881 N ILE A 125 43.966 -8.333 -7.890 1.00 36.55 N ATOM 1882 CA ILE A 125 42.949 -9.368 -7.732 1.00 36.87 C ATOM 1883 C ILE A 125 43.386 -10.682 -8.376 1.00 37.31 C ATOM 1884 O ILE A 125 43.273 -11.741 -7.765 1.00 37.65 O ATOM 1885 CB ILE A 125 41.603 -8.928 -8.341 1.00 36.67 C ATOM 1886 CG1 ILE A 125 41.053 -7.718 -7.587 1.00 36.68 C ATOM 1887 CG2 ILE A 125 40.603 -10.072 -8.309 1.00 36.73 C ATOM 1888 CD1 ILE A 125 40.741 -8.003 -6.134 1.00 36.15 C ATOM 0 H ILE A 125 43.646 -7.507 -8.397 1.00 36.55 H new ATOM 0 HA ILE A 125 42.822 -9.523 -6.661 1.00 36.87 H new ATOM 0 HB ILE A 125 41.768 -8.646 -9.381 1.00 36.67 H new ATOM 0 HG12 ILE A 125 41.777 -6.905 -7.642 1.00 36.68 H new ATOM 0 HG13 ILE A 125 40.147 -7.371 -8.084 1.00 36.68 H new ATOM 0 HG21 ILE A 125 39.659 -9.742 -8.743 1.00 36.73 H new ATOM 0 HG22 ILE A 125 40.993 -10.912 -8.884 1.00 36.73 H new ATOM 0 HG23 ILE A 125 40.439 -10.383 -7.277 1.00 36.73 H new ATOM 0 HD11 ILE A 125 40.355 -7.100 -5.661 1.00 36.15 H new ATOM 0 HD12 ILE A 125 39.994 -8.794 -6.071 1.00 36.15 H new ATOM 0 HD13 ILE A 125 41.650 -8.321 -5.622 1.00 36.15 H new ATOM 1900 N ARG A 126 43.888 -10.602 -9.610 1.00 37.66 N ATOM 1901 CA ARG A 126 44.351 -11.785 -10.340 1.00 37.86 C ATOM 1902 C ARG A 126 45.546 -12.438 -9.647 1.00 37.80 C ATOM 1903 O ARG A 126 45.775 -13.639 -9.786 1.00 38.23 O ATOM 1904 CB ARG A 126 44.745 -11.405 -11.768 1.00 37.98 C ATOM 1905 CG ARG A 126 43.642 -10.713 -12.550 1.00 38.09 C ATOM 1906 CD ARG A 126 44.171 -10.145 -13.857 1.00 38.18 C ATOM 1907 NE ARG A 126 43.200 -9.278 -14.516 1.00 38.30 N ATOM 1908 CZ ARG A 126 43.515 -8.111 -15.070 1.00 37.96 C ATOM 1909 NH1 ARG A 126 44.764 -7.669 -15.023 1.00 37.82 N ATOM 1910 NH2 ARG A 126 42.581 -7.383 -15.666 1.00 38.20 N ATOM 0 H ARG A 126 43.985 -9.728 -10.126 1.00 37.66 H new ATOM 0 HA ARG A 126 43.528 -12.500 -10.360 1.00 37.86 H new ATOM 0 HB2 ARG A 126 45.616 -10.751 -11.732 1.00 37.98 H new ATOM 0 HB3 ARG A 126 45.045 -12.306 -12.303 1.00 37.98 H new ATOM 0 HG2 ARG A 126 42.839 -11.421 -12.756 1.00 38.09 H new ATOM 0 HG3 ARG A 126 43.214 -9.911 -11.949 1.00 38.09 H new ATOM 0 HD2 ARG A 126 45.084 -9.583 -13.663 1.00 38.18 H new ATOM 0 HD3 ARG A 126 44.437 -10.964 -14.526 1.00 38.18 H new ATOM 0 HE ARG A 126 42.228 -9.583 -14.554 1.00 38.30 H new ATOM 0 HH11 ARG A 126 45.484 -8.224 -14.562 1.00 37.82 H new ATOM 0 HH12 ARG A 126 45.004 -6.774 -15.448 1.00 37.82 H new ATOM 0 HH21 ARG A 126 41.618 -7.718 -15.700 1.00 38.20 H new ATOM 0 HH22 ARG A 126 42.825 -6.488 -16.090 1.00 38.20 H new ATOM 1924 N GLU A 127 46.303 -11.633 -8.908 1.00 37.80 N ATOM 1925 CA GLU A 127 47.482 -12.114 -8.197 1.00 37.52 C ATOM 1926 C GLU A 127 47.096 -13.056 -7.056 1.00 37.26 C ATOM 1927 O GLU A 127 47.762 -14.064 -6.819 1.00 36.79 O ATOM 1928 CB GLU A 127 48.278 -10.927 -7.655 1.00 37.48 C ATOM 1929 CG GLU A 127 49.570 -11.315 -6.960 1.00 37.72 C ATOM 1930 CD GLU A 127 50.368 -10.106 -6.517 1.00 37.70 C ATOM 1931 OE1 GLU A 127 50.070 -9.565 -5.432 1.00 37.08 O ATOM 1932 OE2 GLU A 127 51.287 -9.698 -7.257 1.00 37.54 O ATOM 0 H GLU A 127 46.119 -10.637 -8.786 1.00 37.80 H new ATOM 0 HA GLU A 127 48.100 -12.675 -8.898 1.00 37.52 H new ATOM 0 HB2 GLU A 127 48.509 -10.252 -8.479 1.00 37.48 H new ATOM 0 HB3 GLU A 127 47.653 -10.373 -6.955 1.00 37.48 H new ATOM 0 HG2 GLU A 127 49.342 -11.935 -6.093 1.00 37.72 H new ATOM 0 HG3 GLU A 127 50.176 -11.920 -7.634 1.00 37.72 H new ATOM 1939 N ALA A 128 46.013 -12.727 -6.359 1.00 36.75 N ATOM 1940 CA ALA A 128 45.542 -13.546 -5.247 1.00 36.85 C ATOM 1941 C ALA A 128 44.472 -14.532 -5.709 1.00 37.40 C ATOM 1942 O ALA A 128 44.032 -15.389 -4.945 1.00 37.52 O ATOM 1943 CB ALA A 128 45.005 -12.663 -4.131 1.00 36.82 C ATOM 0 H ALA A 128 45.445 -11.900 -6.544 1.00 36.75 H new ATOM 0 HA ALA A 128 46.387 -14.119 -4.865 1.00 36.85 H new ATOM 0 HB1 ALA A 128 44.657 -13.288 -3.308 1.00 36.82 H new ATOM 0 HB2 ALA A 128 45.797 -12.003 -3.776 1.00 36.82 H new ATOM 0 HB3 ALA A 128 44.176 -12.064 -4.508 1.00 36.82 H new ATOM 1949 N ASP A 129 44.060 -14.396 -6.965 1.00 37.81 N ATOM 1950 CA ASP A 129 43.044 -15.265 -7.551 1.00 37.96 C ATOM 1951 C ASP A 129 43.638 -16.626 -7.906 1.00 37.97 C ATOM 1952 O ASP A 129 44.443 -16.742 -8.830 1.00 37.80 O ATOM 1953 CB ASP A 129 42.455 -14.600 -8.795 1.00 37.97 C ATOM 1954 CG ASP A 129 41.272 -15.352 -9.361 1.00 37.97 C ATOM 1955 OD1 ASP A 129 40.516 -15.958 -8.573 1.00 36.74 O ATOM 1956 OD2 ASP A 129 41.096 -15.324 -10.595 1.00 37.69 O ATOM 0 H ASP A 129 44.418 -13.685 -7.603 1.00 37.81 H new ATOM 0 HA ASP A 129 42.251 -15.422 -6.820 1.00 37.96 H new ATOM 0 HB2 ASP A 129 42.148 -13.584 -8.547 1.00 37.97 H new ATOM 0 HB3 ASP A 129 43.228 -14.521 -9.559 1.00 37.97 H new ATOM 1961 N ILE A 130 43.237 -17.651 -7.160 1.00 37.81 N ATOM 1962 CA ILE A 130 43.748 -19.000 -7.372 1.00 37.77 C ATOM 1963 C ILE A 130 42.789 -19.874 -8.185 1.00 37.62 C ATOM 1964 O ILE A 130 43.229 -20.709 -8.977 1.00 37.41 O ATOM 1965 CB ILE A 130 44.033 -19.693 -6.023 1.00 37.65 C ATOM 1966 CG1 ILE A 130 44.881 -18.785 -5.131 1.00 37.92 C ATOM 1967 CG2 ILE A 130 44.732 -21.027 -6.240 1.00 37.85 C ATOM 1968 CD1 ILE A 130 45.180 -19.381 -3.772 1.00 38.18 C ATOM 0 H ILE A 130 42.559 -17.572 -6.402 1.00 37.81 H new ATOM 0 HA ILE A 130 44.671 -18.890 -7.941 1.00 37.77 H new ATOM 0 HB ILE A 130 43.082 -19.883 -5.526 1.00 37.65 H new ATOM 0 HG12 ILE A 130 45.821 -18.567 -5.638 1.00 37.92 H new ATOM 0 HG13 ILE A 130 44.363 -17.835 -4.996 1.00 37.92 H new ATOM 0 HG21 ILE A 130 44.923 -21.498 -5.276 1.00 37.85 H new ATOM 0 HG22 ILE A 130 44.097 -21.677 -6.842 1.00 37.85 H new ATOM 0 HG23 ILE A 130 45.677 -20.863 -6.758 1.00 37.85 H new ATOM 0 HD11 ILE A 130 45.785 -18.683 -3.194 1.00 38.18 H new ATOM 0 HD12 ILE A 130 44.245 -19.574 -3.246 1.00 38.18 H new ATOM 0 HD13 ILE A 130 45.726 -20.316 -3.897 1.00 38.18 H new ATOM 1980 N ASP A 131 41.482 -19.679 -8.011 1.00 37.76 N ATOM 1981 CA ASP A 131 40.507 -20.493 -8.738 1.00 37.61 C ATOM 1982 C ASP A 131 40.195 -19.920 -10.120 1.00 37.28 C ATOM 1983 O ASP A 131 39.555 -20.579 -10.938 1.00 37.58 O ATOM 1984 CB ASP A 131 39.217 -20.645 -7.928 1.00 37.72 C ATOM 1985 CG ASP A 131 38.816 -19.372 -7.210 1.00 37.26 C ATOM 1986 OD1 ASP A 131 38.832 -18.300 -7.846 1.00 40.60 O ATOM 1987 OD2 ASP A 131 38.487 -19.449 -6.009 1.00 36.88 O ATOM 0 H ASP A 131 41.079 -18.980 -7.387 1.00 37.76 H new ATOM 0 HA ASP A 131 40.957 -21.476 -8.882 1.00 37.61 H new ATOM 0 HB2 ASP A 131 38.410 -20.950 -8.594 1.00 37.72 H new ATOM 0 HB3 ASP A 131 39.345 -21.443 -7.197 1.00 37.72 H new ATOM 1992 N GLY A 132 40.646 -18.697 -10.380 1.00 36.83 N ATOM 1993 CA GLY A 132 40.436 -18.098 -11.686 1.00 36.73 C ATOM 1994 C GLY A 132 39.051 -17.501 -11.887 1.00 36.69 C ATOM 1995 O GLY A 132 38.668 -17.214 -13.021 1.00 36.52 O ATOM 0 H GLY A 132 41.151 -18.112 -9.714 1.00 36.83 H new ATOM 0 HA2 GLY A 132 41.181 -17.317 -11.838 1.00 36.73 H new ATOM 0 HA3 GLY A 132 40.607 -18.855 -12.451 1.00 36.73 H new ATOM 1999 N ASP A 133 38.289 -17.309 -10.809 1.00 36.59 N ATOM 2000 CA ASP A 133 36.944 -16.744 -10.928 1.00 36.87 C ATOM 2001 C ASP A 133 36.981 -15.218 -11.057 1.00 37.01 C ATOM 2002 O ASP A 133 35.950 -14.581 -11.278 1.00 37.59 O ATOM 2003 CB ASP A 133 36.083 -17.156 -9.727 1.00 37.02 C ATOM 2004 CG ASP A 133 36.151 -16.167 -8.578 1.00 36.70 C ATOM 2005 OD1 ASP A 133 37.217 -16.069 -7.937 1.00 39.56 O ATOM 2006 OD2 ASP A 133 35.133 -15.492 -8.318 1.00 38.93 O ATOM 0 H ASP A 133 38.575 -17.533 -9.856 1.00 36.59 H new ATOM 0 HA ASP A 133 36.498 -17.143 -11.839 1.00 36.87 H new ATOM 0 HB2 ASP A 133 35.047 -17.259 -10.049 1.00 37.02 H new ATOM 0 HB3 ASP A 133 36.406 -18.136 -9.375 1.00 37.02 H new ATOM 2011 N GLY A 134 38.173 -14.640 -10.932 1.00 37.32 N ATOM 2012 CA GLY A 134 38.320 -13.199 -11.050 1.00 37.40 C ATOM 2013 C GLY A 134 38.034 -12.453 -9.759 1.00 37.85 C ATOM 2014 O GLY A 134 37.842 -11.237 -9.774 1.00 37.94 O ATOM 0 H GLY A 134 39.041 -15.145 -10.751 1.00 37.32 H new ATOM 0 HA2 GLY A 134 39.335 -12.971 -11.375 1.00 37.40 H new ATOM 0 HA3 GLY A 134 37.647 -12.836 -11.827 1.00 37.40 H new ATOM 2018 N GLN A 135 38.009 -13.174 -8.642 1.00 38.58 N ATOM 2019 CA GLN A 135 37.748 -12.562 -7.340 1.00 39.06 C ATOM 2020 C GLN A 135 38.623 -13.196 -6.263 1.00 38.78 C ATOM 2021 O GLN A 135 39.328 -14.171 -6.521 1.00 39.01 O ATOM 2022 CB GLN A 135 36.270 -12.690 -6.959 1.00 38.89 C ATOM 2023 CG GLN A 135 35.340 -11.870 -7.839 1.00 39.96 C ATOM 2024 CD GLN A 135 33.907 -11.877 -7.346 1.00 40.01 C ATOM 2025 OE1 GLN A 135 33.120 -12.753 -7.703 1.00 41.39 O ATOM 2026 NE2 GLN A 135 33.561 -10.893 -6.524 1.00 42.14 N ATOM 0 H GLN A 135 38.166 -14.181 -8.611 1.00 38.58 H new ATOM 0 HA GLN A 135 37.994 -11.503 -7.414 1.00 39.06 H new ATOM 0 HB2 GLN A 135 35.979 -13.739 -7.016 1.00 38.89 H new ATOM 0 HB3 GLN A 135 36.143 -12.379 -5.922 1.00 38.89 H new ATOM 0 HG2 GLN A 135 35.700 -10.842 -7.881 1.00 39.96 H new ATOM 0 HG3 GLN A 135 35.371 -12.261 -8.856 1.00 39.96 H new ATOM 0 HE21 GLN A 135 34.247 -10.188 -6.255 1.00 42.14 H new ATOM 0 HE22 GLN A 135 32.609 -10.842 -6.162 1.00 42.14 H new ATOM 2035 N VAL A 136 38.575 -12.640 -5.056 1.00 38.70 N ATOM 2036 CA VAL A 136 39.379 -13.151 -3.950 1.00 38.75 C ATOM 2037 C VAL A 136 38.521 -13.504 -2.737 1.00 38.94 C ATOM 2038 O VAL A 136 38.021 -12.621 -2.042 1.00 39.31 O ATOM 2039 CB VAL A 136 40.449 -12.127 -3.519 1.00 38.46 C ATOM 2040 CG1 VAL A 136 41.299 -12.680 -2.386 1.00 38.40 C ATOM 2041 CG2 VAL A 136 41.322 -11.730 -4.700 1.00 37.93 C ATOM 0 H VAL A 136 37.990 -11.839 -4.819 1.00 38.70 H new ATOM 0 HA VAL A 136 39.864 -14.056 -4.316 1.00 38.75 H new ATOM 0 HB VAL A 136 39.938 -11.235 -3.158 1.00 38.46 H new ATOM 0 HG11 VAL A 136 42.047 -11.941 -2.098 1.00 38.40 H new ATOM 0 HG12 VAL A 136 40.663 -12.905 -1.530 1.00 38.40 H new ATOM 0 HG13 VAL A 136 41.798 -13.591 -2.717 1.00 38.40 H new ATOM 0 HG21 VAL A 136 42.070 -11.007 -4.373 1.00 37.93 H new ATOM 0 HG22 VAL A 136 41.821 -12.614 -5.097 1.00 37.93 H new ATOM 0 HG23 VAL A 136 40.702 -11.284 -5.477 1.00 37.93 H new ATOM 2051 N ASN A 137 38.354 -14.801 -2.485 1.00 39.53 N ATOM 2052 CA ASN A 137 37.572 -15.261 -1.340 1.00 39.87 C ATOM 2053 C ASN A 137 38.404 -15.184 -0.064 1.00 40.18 C ATOM 2054 O ASN A 137 39.568 -14.792 -0.106 1.00 40.37 O ATOM 2055 CB ASN A 137 37.069 -16.690 -1.563 1.00 39.93 C ATOM 2056 CG ASN A 137 38.128 -17.601 -2.148 1.00 39.85 C ATOM 2057 OD1 ASN A 137 38.924 -18.193 -1.422 1.00 40.07 O ATOM 2058 ND2 ASN A 137 38.136 -17.727 -3.469 1.00 39.39 N ATOM 0 H ASN A 137 38.748 -15.549 -3.056 1.00 39.53 H new ATOM 0 HA ASN A 137 36.706 -14.607 -1.233 1.00 39.87 H new ATOM 0 HB2 ASN A 137 36.726 -17.102 -0.614 1.00 39.93 H new ATOM 0 HB3 ASN A 137 36.207 -16.667 -2.230 1.00 39.93 H new ATOM 0 HD21 ASN A 137 38.821 -18.334 -3.919 1.00 39.39 H new ATOM 0 HD22 ASN A 137 37.457 -17.217 -4.034 1.00 39.39 H new ATOM 2065 N TYR A 138 37.807 -15.549 1.072 1.00 40.21 N ATOM 2066 CA TYR A 138 38.503 -15.510 2.358 1.00 40.01 C ATOM 2067 C TYR A 138 39.703 -16.457 2.395 1.00 40.05 C ATOM 2068 O TYR A 138 40.709 -16.162 3.038 1.00 40.11 O ATOM 2069 CB TYR A 138 37.530 -15.859 3.486 1.00 39.77 C ATOM 2070 CG TYR A 138 38.113 -15.696 4.872 1.00 39.54 C ATOM 2071 CD1 TYR A 138 38.536 -14.454 5.327 1.00 39.35 C ATOM 2072 CD2 TYR A 138 38.236 -16.785 5.726 1.00 39.44 C ATOM 2073 CE1 TYR A 138 39.066 -14.301 6.594 1.00 39.30 C ATOM 2074 CE2 TYR A 138 38.764 -16.640 6.994 1.00 39.39 C ATOM 2075 CZ TYR A 138 39.178 -15.397 7.423 1.00 39.38 C ATOM 2076 OH TYR A 138 39.704 -15.250 8.686 1.00 39.50 O ATOM 0 H TYR A 138 36.842 -15.875 1.127 1.00 40.21 H new ATOM 0 HA TYR A 138 38.882 -14.497 2.494 1.00 40.01 H new ATOM 0 HB2 TYR A 138 36.646 -15.228 3.398 1.00 39.77 H new ATOM 0 HB3 TYR A 138 37.199 -16.890 3.361 1.00 39.77 H new ATOM 0 HD1 TYR A 138 38.449 -13.594 4.680 1.00 39.35 H new ATOM 0 HD2 TYR A 138 37.914 -17.760 5.393 1.00 39.44 H new ATOM 0 HE1 TYR A 138 39.391 -13.328 6.933 1.00 39.30 H new ATOM 0 HE2 TYR A 138 38.852 -17.496 7.646 1.00 39.39 H new ATOM 0 HH TYR A 138 39.712 -16.118 9.140 1.00 39.50 H new ATOM 2086 N GLU A 139 39.591 -17.592 1.710 1.00 40.22 N ATOM 2087 CA GLU A 139 40.676 -18.570 1.674 1.00 40.37 C ATOM 2088 C GLU A 139 41.900 -17.995 0.963 1.00 40.24 C ATOM 2089 O GLU A 139 43.036 -18.217 1.383 1.00 40.05 O ATOM 2090 CB GLU A 139 40.214 -19.849 0.973 1.00 40.43 C ATOM 2091 CG GLU A 139 41.290 -20.917 0.878 1.00 40.58 C ATOM 2092 CD GLU A 139 40.837 -22.131 0.093 1.00 40.64 C ATOM 2093 OE1 GLU A 139 40.997 -22.131 -1.146 1.00 41.63 O ATOM 2094 OE2 GLU A 139 40.319 -23.082 0.716 1.00 40.93 O ATOM 0 H GLU A 139 38.764 -17.857 1.175 1.00 40.22 H new ATOM 0 HA GLU A 139 40.954 -18.809 2.700 1.00 40.37 H new ATOM 0 HB2 GLU A 139 39.356 -20.257 1.508 1.00 40.43 H new ATOM 0 HB3 GLU A 139 39.873 -19.599 -0.032 1.00 40.43 H new ATOM 0 HG2 GLU A 139 42.177 -20.494 0.406 1.00 40.58 H new ATOM 0 HG3 GLU A 139 41.580 -21.226 1.882 1.00 40.58 H new ATOM 2101 N GLU A 140 41.655 -17.250 -0.110 1.00 40.39 N ATOM 2102 CA GLU A 140 42.730 -16.633 -0.878 1.00 40.32 C ATOM 2103 C GLU A 140 43.233 -15.372 -0.182 1.00 40.26 C ATOM 2104 O GLU A 140 44.372 -14.951 -0.385 1.00 40.18 O ATOM 2105 CB GLU A 140 42.247 -16.293 -2.286 1.00 40.20 C ATOM 2106 CG GLU A 140 41.771 -17.501 -3.071 1.00 39.87 C ATOM 2107 CD GLU A 140 41.223 -17.129 -4.432 1.00 39.93 C ATOM 2108 OE1 GLU A 140 41.024 -15.922 -4.682 1.00 39.74 O ATOM 2109 OE2 GLU A 140 40.991 -18.044 -5.247 1.00 38.65 O ATOM 0 H GLU A 140 40.719 -17.059 -0.468 1.00 40.39 H new ATOM 0 HA GLU A 140 43.553 -17.345 -0.947 1.00 40.32 H new ATOM 0 HB2 GLU A 140 41.434 -15.570 -2.218 1.00 40.20 H new ATOM 0 HB3 GLU A 140 43.057 -15.811 -2.833 1.00 40.20 H new ATOM 0 HG2 GLU A 140 42.599 -18.199 -3.195 1.00 39.87 H new ATOM 0 HG3 GLU A 140 40.999 -18.019 -2.502 1.00 39.87 H new ATOM 2116 N PHE A 141 42.365 -14.770 0.627 1.00 40.35 N ATOM 2117 CA PHE A 141 42.700 -13.558 1.365 1.00 40.35 C ATOM 2118 C PHE A 141 43.784 -13.837 2.401 1.00 40.21 C ATOM 2119 O PHE A 141 44.778 -13.120 2.475 1.00 40.56 O ATOM 2120 CB PHE A 141 41.445 -13.008 2.049 1.00 40.10 C ATOM 2121 CG PHE A 141 41.651 -11.691 2.740 1.00 40.38 C ATOM 2122 CD1 PHE A 141 41.875 -10.537 2.007 1.00 40.43 C ATOM 2123 CD2 PHE A 141 41.612 -11.606 4.123 1.00 40.00 C ATOM 2124 CE1 PHE A 141 42.059 -9.323 2.640 1.00 40.80 C ATOM 2125 CE2 PHE A 141 41.794 -10.395 4.761 1.00 40.11 C ATOM 2126 CZ PHE A 141 42.018 -9.252 4.019 1.00 40.23 C ATOM 0 H PHE A 141 41.416 -15.107 0.788 1.00 40.35 H new ATOM 0 HA PHE A 141 43.083 -12.817 0.664 1.00 40.35 H new ATOM 0 HB2 PHE A 141 40.658 -12.896 1.304 1.00 40.10 H new ATOM 0 HB3 PHE A 141 41.092 -13.737 2.778 1.00 40.10 H new ATOM 0 HD1 PHE A 141 41.906 -10.587 0.929 1.00 40.43 H new ATOM 0 HD2 PHE A 141 41.437 -12.497 4.708 1.00 40.00 H new ATOM 0 HE1 PHE A 141 42.235 -8.431 2.058 1.00 40.80 H new ATOM 0 HE2 PHE A 141 41.761 -10.342 5.839 1.00 40.11 H new ATOM 0 HZ PHE A 141 42.161 -8.304 4.516 1.00 40.23 H new ATOM 2136 N VAL A 142 43.583 -14.886 3.194 1.00 40.31 N ATOM 2137 CA VAL A 142 44.547 -15.271 4.221 1.00 40.14 C ATOM 2138 C VAL A 142 45.830 -15.809 3.589 1.00 40.24 C ATOM 2139 O VAL A 142 46.917 -15.665 4.147 1.00 40.43 O ATOM 2140 CB VAL A 142 43.957 -16.334 5.168 1.00 40.18 C ATOM 2141 CG1 VAL A 142 44.912 -16.630 6.315 1.00 40.21 C ATOM 2142 CG2 VAL A 142 42.606 -15.881 5.699 1.00 40.33 C ATOM 0 H VAL A 142 42.759 -15.486 3.145 1.00 40.31 H new ATOM 0 HA VAL A 142 44.781 -14.377 4.798 1.00 40.14 H new ATOM 0 HB VAL A 142 43.815 -17.254 4.601 1.00 40.18 H new ATOM 0 HG11 VAL A 142 44.473 -17.383 6.969 1.00 40.21 H new ATOM 0 HG12 VAL A 142 45.856 -17.002 5.916 1.00 40.21 H new ATOM 0 HG13 VAL A 142 45.093 -15.717 6.883 1.00 40.21 H new ATOM 0 HG21 VAL A 142 42.203 -16.643 6.366 1.00 40.33 H new ATOM 0 HG22 VAL A 142 42.725 -14.946 6.246 1.00 40.33 H new ATOM 0 HG23 VAL A 142 41.920 -15.729 4.866 1.00 40.33 H new ATOM 2152 N GLN A 143 45.690 -16.420 2.416 1.00 40.22 N ATOM 2153 CA GLN A 143 46.833 -16.978 1.699 1.00 40.29 C ATOM 2154 C GLN A 143 47.785 -15.869 1.254 1.00 39.94 C ATOM 2155 O GLN A 143 49.005 -16.019 1.320 1.00 39.55 O ATOM 2156 CB GLN A 143 46.356 -17.777 0.484 1.00 40.47 C ATOM 2157 CG GLN A 143 47.479 -18.469 -0.272 1.00 41.31 C ATOM 2158 CD GLN A 143 48.152 -19.555 0.546 1.00 41.86 C ATOM 2159 OE1 GLN A 143 49.346 -19.812 0.394 1.00 40.60 O ATOM 2160 NE2 GLN A 143 47.385 -20.204 1.416 1.00 41.97 N ATOM 0 H GLN A 143 44.795 -16.541 1.941 1.00 40.22 H new ATOM 0 HA GLN A 143 47.369 -17.644 2.375 1.00 40.29 H new ATOM 0 HB2 GLN A 143 45.636 -18.526 0.813 1.00 40.47 H new ATOM 0 HB3 GLN A 143 45.831 -17.107 -0.197 1.00 40.47 H new ATOM 0 HG2 GLN A 143 47.080 -18.904 -1.188 1.00 41.31 H new ATOM 0 HG3 GLN A 143 48.223 -17.729 -0.568 1.00 41.31 H new ATOM 0 HE21 GLN A 143 46.399 -19.958 1.510 1.00 41.97 H new ATOM 0 HE22 GLN A 143 47.782 -20.948 1.990 1.00 41.97 H new ATOM 2169 N MET A 144 47.218 -14.758 0.800 1.00 39.74 N ATOM 2170 CA MET A 144 48.011 -13.617 0.359 1.00 39.70 C ATOM 2171 C MET A 144 48.491 -12.794 1.554 1.00 39.10 C ATOM 2172 O MET A 144 49.490 -12.078 1.469 1.00 39.02 O ATOM 2173 CB MET A 144 47.191 -12.740 -0.591 1.00 39.91 C ATOM 2174 CG MET A 144 47.982 -11.591 -1.193 1.00 40.31 C ATOM 2175 SD MET A 144 49.465 -12.148 -2.053 1.00 42.34 S ATOM 2176 CE MET A 144 50.326 -10.595 -2.281 1.00 41.98 C ATOM 0 H MET A 144 46.210 -14.623 0.727 1.00 39.74 H new ATOM 0 HA MET A 144 48.886 -13.993 -0.171 1.00 39.70 H new ATOM 0 HB2 MET A 144 46.797 -13.360 -1.396 1.00 39.91 H new ATOM 0 HB3 MET A 144 46.334 -12.337 -0.051 1.00 39.91 H new ATOM 0 HG2 MET A 144 47.347 -11.043 -1.889 1.00 40.31 H new ATOM 0 HG3 MET A 144 48.264 -10.895 -0.403 1.00 40.31 H new ATOM 0 HE1 MET A 144 51.267 -10.774 -2.801 1.00 41.98 H new ATOM 0 HE2 MET A 144 49.707 -9.919 -2.872 1.00 41.98 H new ATOM 0 HE3 MET A 144 50.529 -10.145 -1.309 1.00 41.98 H new ATOM 2186 N MET A 145 47.780 -12.912 2.672 1.00 38.89 N ATOM 2187 CA MET A 145 48.124 -12.174 3.884 1.00 38.87 C ATOM 2188 C MET A 145 49.311 -12.800 4.610 1.00 38.33 C ATOM 2189 O MET A 145 49.936 -12.160 5.455 1.00 38.00 O ATOM 2190 CB MET A 145 46.917 -12.103 4.820 1.00 39.29 C ATOM 2191 CG MET A 145 46.190 -10.766 4.788 1.00 39.76 C ATOM 2192 SD MET A 145 45.732 -10.243 3.122 1.00 43.08 S ATOM 2193 CE MET A 145 47.140 -9.230 2.674 1.00 40.95 C ATOM 0 H MET A 145 46.961 -13.513 2.764 1.00 38.89 H new ATOM 0 HA MET A 145 48.410 -11.166 3.585 1.00 38.87 H new ATOM 0 HB2 MET A 145 46.216 -12.893 4.553 1.00 39.29 H new ATOM 0 HB3 MET A 145 47.248 -12.301 5.839 1.00 39.29 H new ATOM 0 HG2 MET A 145 45.291 -10.834 5.400 1.00 39.76 H new ATOM 0 HG3 MET A 145 46.825 -10.004 5.239 1.00 39.76 H new ATOM 0 HE1 MET A 145 46.792 -8.315 2.195 1.00 40.95 H new ATOM 0 HE2 MET A 145 47.706 -8.977 3.570 1.00 40.95 H new ATOM 0 HE3 MET A 145 47.780 -9.781 1.984 1.00 40.95 H new ATOM 2203 N THR A 146 49.622 -14.050 4.283 1.00 37.90 N ATOM 2204 CA THR A 146 50.746 -14.737 4.905 1.00 37.88 C ATOM 2205 C THR A 146 51.996 -14.582 4.050 1.00 38.08 C ATOM 2206 O THR A 146 53.117 -14.759 4.526 1.00 38.01 O ATOM 2207 CB THR A 146 50.459 -16.235 5.119 1.00 37.81 C ATOM 2208 OG1 THR A 146 50.043 -16.839 3.889 1.00 36.96 O ATOM 2209 CG2 THR A 146 49.385 -16.435 6.178 1.00 37.86 C ATOM 0 H THR A 146 49.114 -14.605 3.594 1.00 37.90 H new ATOM 0 HA THR A 146 50.903 -14.278 5.881 1.00 37.88 H new ATOM 0 HB THR A 146 51.378 -16.711 5.461 1.00 37.81 H new ATOM 0 HG1 THR A 146 49.865 -17.791 4.036 1.00 36.96 H new ATOM 0 HG21 THR A 146 49.200 -17.501 6.311 1.00 37.86 H new ATOM 0 HG22 THR A 146 49.720 -16.004 7.122 1.00 37.86 H new ATOM 0 HG23 THR A 146 48.465 -15.944 5.861 1.00 37.86 H new ATOM 2217 N ALA A 147 51.788 -14.248 2.781 1.00 38.54 N ATOM 2218 CA ALA A 147 52.886 -14.050 1.847 1.00 39.01 C ATOM 2219 C ALA A 147 53.196 -12.566 1.692 1.00 39.29 C ATOM 2220 O ALA A 147 52.445 -11.717 2.173 1.00 39.26 O ATOM 2221 CB ALA A 147 52.550 -14.666 0.498 1.00 38.98 C ATOM 0 H ALA A 147 50.863 -14.108 2.376 1.00 38.54 H new ATOM 0 HA ALA A 147 53.771 -14.546 2.245 1.00 39.01 H new ATOM 0 HB1 ALA A 147 53.381 -14.510 -0.190 1.00 38.98 H new ATOM 0 HB2 ALA A 147 52.375 -15.735 0.620 1.00 38.98 H new ATOM 0 HB3 ALA A 147 51.653 -14.195 0.096 1.00 38.98 H new ATOM 2227 N LYS A 148 54.311 -12.263 1.033 1.00 39.62 N ATOM 2228 CA LYS A 148 54.722 -10.879 0.809 1.00 39.79 C ATOM 2229 C LYS A 148 53.723 -10.145 -0.082 1.00 40.26 C ATOM 2230 O LYS A 148 52.855 -9.431 0.463 1.00 40.48 O ATOM 2231 CB LYS A 148 56.112 -10.837 0.173 1.00 39.81 C ATOM 2232 CG LYS A 148 57.186 -11.499 1.019 1.00 39.92 C ATOM 2233 CD LYS A 148 58.544 -11.440 0.339 1.00 39.64 C ATOM 2234 CE LYS A 148 59.618 -12.111 1.180 1.00 39.73 C ATOM 2235 NZ LYS A 148 60.952 -12.059 0.522 1.00 39.55 N ATOM 2236 OXT LYS A 148 53.818 -10.290 -1.317 1.00 40.62 O ATOM 0 H LYS A 148 54.948 -12.958 0.644 1.00 39.62 H new ATOM 0 HA LYS A 148 54.753 -10.377 1.776 1.00 39.79 H new ATOM 0 HB2 LYS A 148 56.073 -11.328 -0.799 1.00 39.81 H new ATOM 0 HB3 LYS A 148 56.390 -9.798 -0.005 1.00 39.81 H new ATOM 0 HG2 LYS A 148 57.242 -11.006 1.989 1.00 39.92 H new ATOM 0 HG3 LYS A 148 56.915 -12.538 1.205 1.00 39.92 H new ATOM 0 HD2 LYS A 148 58.486 -11.927 -0.635 1.00 39.64 H new ATOM 0 HD3 LYS A 148 58.817 -10.400 0.160 1.00 39.64 H new ATOM 0 HE2 LYS A 148 59.674 -11.623 2.153 1.00 39.73 H new ATOM 0 HE3 LYS A 148 59.342 -13.150 1.359 1.00 39.73 H new ATOM 0 HZ1 LYS A 148 61.656 -12.527 1.127 1.00 39.55 H new ATOM 0 HZ2 LYS A 148 60.906 -12.546 -0.396 1.00 39.55 H new ATOM 0 HZ3 LYS A 148 61.228 -11.067 0.374 1.00 39.55 H new TER 2250 LYS A 148 HETATM 2251 CA CA A 501 48.639 16.071 11.362 1.00 0.00 CA HETATM 2252 CA CA A 503 31.335 -8.528 -3.008 1.00 0.00 CA HETATM 2253 CA CA A 504 38.905 -16.546 -6.101 1.00 0.00 CA HETATM 2254 LA LA A 999 53.870 11.551 20.443 1.00 0.00 LA CONECT 297 2251 CONECT 331 2251 CONECT 332 2251 CONECT 350 2251 CONECT 366 2251 CONECT 453 2251 CONECT 454 2251 CONECT 829 2254 CONECT 851 2254 CONECT 870 2254 CONECT 886 2254 CONECT 969 2254 CONECT 970 2254 CONECT 1407 2252 CONECT 1441 2252 CONECT 1460 2252 CONECT 1478 2252 CONECT 1553 2252 CONECT 1554 2252 CONECT 1955 2253 CONECT 1986 2253 CONECT 1987 2253 CONECT 2005 2253 CONECT 2021 2253 CONECT 2058 2253 CONECT 2108 2253 CONECT 2109 2253 CONECT 2251 297 331 332 350 CONECT 2251 366 453 454 CONECT 2252 1407 1441 1460 1478 CONECT 2252 1553 1554 CONECT 2253 1955 1986 1987 2005 CONECT 2253 2021 2058 2108 2109 CONECT 2254 829 851 870 886 CONECT 2254 969 970 END