USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 706 hydrogens (0 hets) HEADER ZN-BINDING PROTEIN 11-JUN-98 1WJE TITLE SOLUTION STRUCTURE OF H12C MUTANT OF THE N-TERMINAL ZN TITLE 2 BINDING DOMAIN OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM, TITLE 3 NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIV-1 INTEGRASE; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES; COMPND 5 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 CELL_LINE: BL21; SOURCE 5 GENE: POTENTIAL; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3); SOURCE 9 EXPRESSION_SYSTEM_VECTOR_TYPE: T7; SOURCE 0 EXPRESSION_SYSTEM_VECTOR: T7 RNA POLYMERASE; SOURCE 1 EXPRESSION_SYSTEM_PLASMID: PET-15B; SOURCE 2 EXPRESSION_SYSTEM_GENE: T7 KEYWDS ZN-BINDING PROTEIN, AIDS, POLYPROTEIN, HYDROLASE, ASPARTYL KEYWDS 2 PROTEASE EXPDTA SOLUTION NMR AUTHOR M.CAI,A.M.GRONENBORN,G.M.CLORE REVDAT 2 24-FEB-09 1WJE 1 VERSN REVDAT 1 16-DEC-98 1WJE 0 JRNL AUTH M.CAI,Y.HUANG,M.CAFFREY,R.ZHENG,R.CRAIGIE, JRNL AUTH 2 G.M.CLORE,A.M.GRONENBORN JRNL TITL SOLUTION STRUCTURE OF THE HIS12 --> CYS MUTANT OF JRNL TITL 2 THE N-TERMINAL ZINC BINDING DOMAIN OF HIV-1 JRNL TITL 3 INTEGRASE COMPLEXED TO CADMIUM. JRNL REF PROTEIN SCI. V. 7 2669 1998 JRNL REFN ISSN 0961-8368 JRNL PMID 9865962 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS, GROSSE- REMARK 3 KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,READ, REMARK 3 RICE,SIMONSON,WARREN REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129-136, USING THE PROGRAM XPLOR 3.1 (BRUNGER) REMARK 3 MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. REMARK 3 (1984) J. MAGN RESON. SERIES B 104, 99-103), CARBON REMARK 3 CHEMICAL SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. REMARK 3 SERIES B 106, 92-96) RESTRAINTS AND A CONFORMATIONAL REMARK 3 DATABASE POTENTIAL (KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, REMARK 3 1067-1080 AND (1997) J. MAGN. RESON. 125, 171-177). REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE N-TERMINAL DOMAIN OF THE H12C REMARK 3 MUTANT OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM WAS SOLVED REMARK 3 BY MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED REMARK 3 NMR IS BASED ON 757 EXPERIMENTAL RESTRAINTS (PER REMARK 3 MONOMER): (A) INTRASUBUNIT: 203 SEQUENTIAL (|I-J|=1), REMARK 3 161 MEDIUM RANGE (1 < |I-J| >=5) AND 82 LONG RANGE REMARK 3 (|I-J| >5) INTERRESIDUE, AND 5 INTRARESIDUE APPROXIMATE REMARK 3 INTERPROTON DISTANCE RESTRAINTS; 16 DISTANCE RESTRAINTS REMARK 3 FOR 8 HYDROGEN BONDS; 117 TORSION ANGLE (45 PHI, 35 PSI, REMARK 3 26 CHI1, 10 CHI2 AND 1 CHI3) RESTRAINTS; 47 THREE-BOND REMARK 3 HN-HA COUPLING CONSTANT RESTRAINTS; 99 (50 CALPHA AND REMARK 3 49 CBETA) 13C SHIFT RESTRAINTS. (B) 20 INTERSUBUNIT REMARK 3 INTERPROTON DISTANCE RESTRAINTS. (C) 7 AMBIGUOUS REMARK 3 INTERPROTON DISTANCE RESTRAINTS THAT CAN ARISE FROM INTRA REMARK 3 AND/OR INTERSUBUNIT INTERACTIONS. REMARK 3 REMARK 3 THE STRUCTURES WERE CALCULATED USING THE SIMULATED REMARK 3 ANNEALING PROTOCOL OF NILGES ET AL. (1988) FEBS LETT. REMARK 3 229, 129-136, USING THE PROGRAM XPLOR 3.1 (BRUNGER) REMARK 3 MODIFIED TO INCORPORATE COUPLING CONSTANT (GARRETT ET AL. REMARK 3 (1984) J. MAGN RESON. SERIES B 104, 99-103), CARBON REMARK 3 CHEMICAL SHIFT (KUSZEWSKI ET AL. (1995) J. MAGN. RESON. REMARK 3 SERIES B 106, 92-96) RESTRAINTS AND A CONFORMATIONAL REMARK 3 DATABASE POTENTIAL (KUSZEWSKI ET AL. (1996) PROTEIN SCI 5, REMARK 3 1067-1080 AND (1997) J. MAGN. RESON. 125, 171-177). REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE N-TERMINAL DOMAIN OF THE H12C REMARK 3 MUTANT OF HIV-1 INTEGRASE COMPLEXED TO CADMIUM WAS SOLVED REMARK 3 BY MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED REMARK 3 NMR IS BASED ON 757 EXPERIMENTAL RESTRAINTS (PER REMARK 3 MONOMER): (A) INTRASUBUNIT: 203 SEQUENTIAL (|I-J|=1), REMARK 3 161 MEDIUM RANGE (1 < |I-J| >=5) AND 82 LONG RANGE REMARK 3 (|I-J| >5) INTERRESIDUE, AND 5 INTRARESIDUE APPROXIMATE REMARK 3 INTERPROTON DISTANCE RESTRAINTS; 16 DISTANCE RESTRAINTS REMARK 3 FOR 8 HYDROGEN BONDS; 117 TORSION ANGLE (45 PHI, 35 PSI, REMARK 3 26 CHI1, 10 CHI2 AND 1 CHI3) RESTRAINTS; 47 THREE-BOND REMARK 3 HN-HA COUPLING CONSTANT RESTRAINTS; 99 (50 CALPHA AND REMARK 3 49 CBETA) 13C SHIFT RESTRAINTS. (B) 20 INTERSUBUNIT REMARK 3 INTERPROTON DISTANCE RESTRAINTS. (C) 7 AMBIGUOUS REMARK 3 INTERPROTON DISTANCE RESTRAINTS THAT CAN ARISE FROM INTRA REMARK 3 AND/OR INTERSUBUNIT INTERACTIONS. REMARK 4 REMARK 4 1WJE COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308 REMARK 210 PH : 4.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : DMX600, DMX500 REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS MODIFIED MODIFIED REMARK 210 METHOD USED : SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : REGULARIZED MEAN STRUCTURE REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 HIS A 16 -134.69 57.74 REMARK 500 HIS B 16 -134.73 57.81 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 CD A 56 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 12 SG REMARK 620 2 CYS A 40 SG 107.6 REMARK 620 3 CYS A 43 SG 110.5 107.4 REMARK 620 N 1 2 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 CD B 56 CD REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS B 12 SG REMARK 620 2 CYS B 40 SG 107.6 REMARK 620 3 CYS B 43 SG 110.5 107.4 REMARK 620 N 1 2 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD A 56 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE CD B 56 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1WJF RELATED DB: PDB REMARK 900 ENSEMBLE OF 40 SIMULATED ANNEALING STRUCTURES DBREF 1WJE A 1 46 UNP P04587 POL_HV1B5 728 773 DBREF 1WJE B 1 46 UNP P04587 POL_HV1B5 728 773 SEQADV 1WJE CYS A 12 UNP P04587 HIS 739 MUTATION SEQADV 1WJE CYS B 12 UNP P04587 HIS 739 MUTATION SEQRES 1 A 46 PHE LEU ASP GLY ILE ASP LYS ALA GLN GLU GLU CYS GLU SEQRES 2 A 46 LYS TYR HIS SER ASN TRP ARG ALA MET ALA SER ASP PHE SEQRES 3 A 46 ASN LEU PRO PRO VAL VAL ALA LYS GLU ILE VAL ALA SER SEQRES 4 A 46 CYS ASP LYS CYS GLN LEU LYS SEQRES 1 B 46 PHE LEU ASP GLY ILE ASP LYS ALA GLN GLU GLU CYS GLU SEQRES 2 B 46 LYS TYR HIS SER ASN TRP ARG ALA MET ALA SER ASP PHE SEQRES 3 B 46 ASN LEU PRO PRO VAL VAL ALA LYS GLU ILE VAL ALA SER SEQRES 4 B 46 CYS ASP LYS CYS GLN LEU LYS HET CD A 56 1 HET CD B 56 1 HETNAM CD CADMIUM ION FORMUL 3 CD 2(CD 2+) HELIX 1 1 ASP A 3 TYR A 15 5 13 HELIX 2 2 TRP A 19 PHE A 26 1 8 HELIX 3 3 PRO A 30 SER A 39 1 10 HELIX 4 4 ASP A 41 GLN A 44 1 4 HELIX 5 5 ASP B 3 TYR B 15 5 13 HELIX 6 6 TRP B 19 PHE B 26 1 8 HELIX 7 7 PRO B 30 SER B 39 1 10 HELIX 8 8 ASP B 41 GLN B 44 1 4 LINK CD CD A 56 SG CYS A 12 1555 1555 2.61 LINK CD CD A 56 SG CYS A 40 1555 1555 2.59 LINK CD CD A 56 SG CYS A 43 1555 1555 2.61 LINK CD CD B 56 SG CYS B 12 1555 1555 2.61 LINK CD CD B 56 SG CYS B 40 1555 1555 2.58 LINK CD CD B 56 SG CYS B 43 1555 1555 2.61 SITE *** AC1 3 CYS A 12 CYS A 40 CYS A 43 SITE *** AC2 3 CYS B 12 CYS B 40 CYS B 43 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 GLN : amide:sc= -1.51! C(o=-3.6!,f=-3.9!) USER MOD Set 1.2: B 44 GLN : amide:sc= -2.06! C(o=-3.6!,f=-3.5!) USER MOD Single : A 1 PHE N :NH3+ 146:sc= 0.968 (180deg=0.457) USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.407 (180deg=-1.81!) USER MOD Single : A 9 GLN : amide:sc=-0.00932 K(o=-0.0093,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot -32:sc= 1.32 USER MOD Single : A 16 HIS : no HD1:sc= -7.52! C(o=-7.5!,f=-14!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0504 K(o=-0.05,f=-1.8!) USER MOD Single : A 22 MET CE :methyl 150:sc= -0.104 (180deg=-1.08) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.831 K(o=-0.83,f=-0.0051) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 116:sc= 0.1 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 163:sc= -0.0548 (180deg=-0.664) USER MOD Single : B 1 PHE N :NH3+ 153:sc= 1 (180deg=0.425) USER MOD Single : B 7 LYS NZ :NH3+ -153:sc= -0.285 (180deg=-1.87!) USER MOD Single : B 9 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 TYR OH : rot 1:sc= 1.27 USER MOD Single : B 16 HIS : no HD1:sc= -7.64! C(o=-7.6!,f=-13!) USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 18 ASN : amide:sc= -0.0374 K(o=-0.037,f=-1.9!) USER MOD Single : B 22 MET CE :methyl 158:sc= -0.151 (180deg=-1.17) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 27 ASN : amide:sc= -0.854 K(o=-0.85,f=-0.0037) USER MOD Single : B 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 SER OG : rot 116:sc= 0.0974 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 LYS NZ :NH3+ 163:sc= -0.0606 (180deg=-0.645) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 94.897 -4.698 23.865 1.00 0.63 N ATOM 2 CA PHE A 1 94.980 -3.929 25.137 1.00 0.32 C ATOM 3 C PHE A 1 95.125 -2.442 24.815 1.00 0.31 C ATOM 4 O PHE A 1 96.209 -1.943 24.586 1.00 0.36 O ATOM 5 CB PHE A 1 96.174 -4.424 25.951 1.00 0.53 C ATOM 6 CG PHE A 1 96.273 -5.933 25.826 1.00 0.46 C ATOM 7 CD1 PHE A 1 95.265 -6.759 26.371 1.00 0.61 C ATOM 8 CD2 PHE A 1 97.363 -6.517 25.146 1.00 0.77 C ATOM 9 CE1 PHE A 1 95.354 -8.159 26.241 1.00 0.61 C ATOM 10 CE2 PHE A 1 97.449 -7.918 25.021 1.00 0.77 C ATOM 11 CZ PHE A 1 96.445 -8.737 25.569 1.00 0.46 C ATOM 0 H1 PHE A 1 95.357 -5.623 23.988 1.00 0.63 H new ATOM 0 H2 PHE A 1 93.899 -4.839 23.609 1.00 0.63 H new ATOM 0 H3 PHE A 1 95.377 -4.170 23.108 1.00 0.63 H new ATOM 0 HA PHE A 1 94.074 -4.075 25.725 1.00 0.32 H new ATOM 0 HB2 PHE A 1 97.092 -3.957 25.594 1.00 0.53 H new ATOM 0 HB3 PHE A 1 96.059 -4.141 26.997 1.00 0.53 H new ATOM 0 HD1 PHE A 1 94.426 -6.317 26.888 1.00 0.61 H new ATOM 0 HD2 PHE A 1 98.132 -5.889 24.721 1.00 0.77 H new ATOM 0 HE1 PHE A 1 94.583 -8.789 26.658 1.00 0.61 H new ATOM 0 HE2 PHE A 1 98.286 -8.363 24.504 1.00 0.77 H new ATOM 0 HZ PHE A 1 96.513 -9.811 25.473 1.00 0.46 H new ATOM 23 N LEU A 2 94.022 -1.741 24.774 1.00 0.30 N ATOM 24 CA LEU A 2 94.048 -0.281 24.438 1.00 0.36 C ATOM 25 C LEU A 2 93.851 0.576 25.686 1.00 0.39 C ATOM 26 O LEU A 2 93.116 0.239 26.584 1.00 0.34 O ATOM 27 CB LEU A 2 92.925 0.032 23.438 1.00 0.37 C ATOM 28 CG LEU A 2 93.051 -0.848 22.185 1.00 0.38 C ATOM 29 CD1 LEU A 2 91.828 -0.623 21.291 1.00 0.46 C ATOM 30 CD2 LEU A 2 94.316 -0.479 21.398 1.00 0.47 C ATOM 0 H LEU A 2 93.093 -2.119 24.961 1.00 0.30 H new ATOM 0 HA LEU A 2 95.021 -0.049 24.005 1.00 0.36 H new ATOM 0 HB2 LEU A 2 91.956 -0.134 23.909 1.00 0.37 H new ATOM 0 HB3 LEU A 2 92.966 1.084 23.155 1.00 0.37 H new ATOM 0 HG LEU A 2 93.112 -1.892 22.491 1.00 0.38 H new ATOM 0 HD11 LEU A 2 91.910 -1.244 20.399 1.00 0.46 H new ATOM 0 HD12 LEU A 2 90.924 -0.890 21.838 1.00 0.46 H new ATOM 0 HD13 LEU A 2 91.779 0.426 20.999 1.00 0.46 H new ATOM 0 HD21 LEU A 2 94.391 -1.111 20.513 1.00 0.47 H new ATOM 0 HD22 LEU A 2 94.263 0.566 21.094 1.00 0.47 H new ATOM 0 HD23 LEU A 2 95.193 -0.630 22.027 1.00 0.47 H new ATOM 42 N ASP A 3 94.491 1.705 25.729 1.00 0.51 N ATOM 43 CA ASP A 3 94.324 2.607 26.899 1.00 0.57 C ATOM 44 C ASP A 3 92.846 2.985 26.995 1.00 0.52 C ATOM 45 O ASP A 3 92.281 3.054 28.068 1.00 0.50 O ATOM 46 CB ASP A 3 95.177 3.867 26.712 1.00 0.72 C ATOM 47 CG ASP A 3 96.640 3.552 27.040 1.00 1.35 C ATOM 48 OD1 ASP A 3 96.868 2.765 27.944 1.00 1.91 O ATOM 49 OD2 ASP A 3 97.506 4.110 26.387 1.00 2.13 O ATOM 0 H ASP A 3 95.124 2.044 25.005 1.00 0.51 H new ATOM 0 HA ASP A 3 94.646 2.108 27.813 1.00 0.57 H new ATOM 0 HB2 ASP A 3 95.093 4.226 25.686 1.00 0.72 H new ATOM 0 HB3 ASP A 3 94.812 4.664 27.360 1.00 0.72 H new ATOM 54 N GLY A 4 92.212 3.213 25.874 1.00 0.54 N ATOM 55 CA GLY A 4 90.761 3.567 25.889 1.00 0.55 C ATOM 56 C GLY A 4 90.017 2.608 26.826 1.00 0.42 C ATOM 57 O GLY A 4 88.906 2.862 27.240 1.00 0.41 O ATOM 0 H GLY A 4 92.637 3.169 24.948 1.00 0.54 H new ATOM 0 HA2 GLY A 4 90.629 4.596 26.223 1.00 0.55 H new ATOM 0 HA3 GLY A 4 90.349 3.503 24.882 1.00 0.55 H new ATOM 61 N ILE A 5 90.633 1.516 27.180 1.00 0.34 N ATOM 62 CA ILE A 5 89.978 0.553 28.109 1.00 0.26 C ATOM 63 C ILE A 5 89.689 1.279 29.431 1.00 0.27 C ATOM 64 O ILE A 5 88.645 1.103 30.027 1.00 0.26 O ATOM 65 CB ILE A 5 90.907 -0.666 28.298 1.00 0.24 C ATOM 66 CG1 ILE A 5 90.931 -1.459 26.982 1.00 0.22 C ATOM 67 CG2 ILE A 5 90.428 -1.586 29.453 1.00 0.25 C ATOM 68 CD1 ILE A 5 92.055 -2.499 27.020 1.00 0.24 C ATOM 0 H ILE A 5 91.565 1.247 26.865 1.00 0.34 H new ATOM 0 HA ILE A 5 89.032 0.187 27.710 1.00 0.26 H new ATOM 0 HB ILE A 5 91.904 -0.310 28.560 1.00 0.24 H new ATOM 0 HG12 ILE A 5 89.972 -1.953 26.828 1.00 0.22 H new ATOM 0 HG13 ILE A 5 91.079 -0.781 26.141 1.00 0.22 H new ATOM 0 HG21 ILE A 5 91.110 -2.431 29.552 1.00 0.25 H new ATOM 0 HG22 ILE A 5 90.413 -1.021 30.385 1.00 0.25 H new ATOM 0 HG23 ILE A 5 89.425 -1.953 29.234 1.00 0.25 H new ATOM 0 HD11 ILE A 5 92.066 -3.057 26.084 1.00 0.24 H new ATOM 0 HD12 ILE A 5 93.012 -1.995 27.153 1.00 0.24 H new ATOM 0 HD13 ILE A 5 91.888 -3.186 27.850 1.00 0.24 H new ATOM 80 N ASP A 6 90.593 2.103 29.884 1.00 0.33 N ATOM 81 CA ASP A 6 90.356 2.850 31.157 1.00 0.37 C ATOM 82 C ASP A 6 89.087 3.693 30.980 1.00 0.36 C ATOM 83 O ASP A 6 88.272 3.824 31.872 1.00 0.37 O ATOM 84 CB ASP A 6 91.573 3.777 31.424 1.00 0.46 C ATOM 85 CG ASP A 6 92.354 3.314 32.660 1.00 1.31 C ATOM 86 OD1 ASP A 6 92.444 2.116 32.868 1.00 1.98 O ATOM 87 OD2 ASP A 6 92.850 4.171 33.374 1.00 2.09 O ATOM 0 H ASP A 6 91.486 2.293 29.430 1.00 0.33 H new ATOM 0 HA ASP A 6 90.235 2.166 31.997 1.00 0.37 H new ATOM 0 HB2 ASP A 6 92.230 3.781 30.554 1.00 0.46 H new ATOM 0 HB3 ASP A 6 91.230 4.801 31.569 1.00 0.46 H new ATOM 92 N LYS A 7 88.937 4.259 29.822 1.00 0.36 N ATOM 93 CA LYS A 7 87.754 5.107 29.515 1.00 0.36 C ATOM 94 C LYS A 7 86.480 4.256 29.595 1.00 0.32 C ATOM 95 O LYS A 7 85.454 4.689 30.082 1.00 0.33 O ATOM 96 CB LYS A 7 87.946 5.612 28.083 1.00 0.39 C ATOM 97 CG LYS A 7 87.060 6.819 27.780 1.00 0.97 C ATOM 98 CD LYS A 7 87.092 7.098 26.251 1.00 1.06 C ATOM 99 CE LYS A 7 87.147 8.608 25.958 1.00 1.83 C ATOM 100 NZ LYS A 7 86.411 9.362 27.009 1.00 2.39 N ATOM 0 H LYS A 7 89.601 4.168 29.053 1.00 0.36 H new ATOM 0 HA LYS A 7 87.660 5.934 30.219 1.00 0.36 H new ATOM 0 HB2 LYS A 7 88.991 5.882 27.930 1.00 0.39 H new ATOM 0 HB3 LYS A 7 87.718 4.809 27.382 1.00 0.39 H new ATOM 0 HG2 LYS A 7 86.038 6.627 28.107 1.00 0.97 H new ATOM 0 HG3 LYS A 7 87.412 7.692 28.330 1.00 0.97 H new ATOM 0 HD2 LYS A 7 87.959 6.608 25.808 1.00 1.06 H new ATOM 0 HD3 LYS A 7 86.208 6.667 25.782 1.00 1.06 H new ATOM 0 HE2 LYS A 7 88.184 8.941 25.920 1.00 1.83 H new ATOM 0 HE3 LYS A 7 86.711 8.812 24.980 1.00 1.83 H new ATOM 0 HZ1 LYS A 7 86.101 10.278 26.626 1.00 2.39 H new ATOM 0 HZ2 LYS A 7 85.581 8.814 27.312 1.00 2.39 H new ATOM 0 HZ3 LYS A 7 87.037 9.522 27.824 1.00 2.39 H new ATOM 114 N ALA A 8 86.548 3.046 29.111 1.00 0.28 N ATOM 115 CA ALA A 8 85.360 2.146 29.138 1.00 0.26 C ATOM 116 C ALA A 8 84.924 1.885 30.584 1.00 0.28 C ATOM 117 O ALA A 8 83.750 1.758 30.871 1.00 0.30 O ATOM 118 CB ALA A 8 85.719 0.824 28.456 1.00 0.26 C ATOM 0 H ALA A 8 87.385 2.638 28.694 1.00 0.28 H new ATOM 0 HA ALA A 8 84.535 2.622 28.608 1.00 0.26 H new ATOM 0 HB1 ALA A 8 84.855 0.160 28.472 1.00 0.26 H new ATOM 0 HB2 ALA A 8 86.011 1.015 27.423 1.00 0.26 H new ATOM 0 HB3 ALA A 8 86.547 0.354 28.986 1.00 0.26 H new ATOM 124 N GLN A 9 85.852 1.792 31.497 1.00 0.30 N ATOM 125 CA GLN A 9 85.468 1.529 32.914 1.00 0.35 C ATOM 126 C GLN A 9 84.563 2.659 33.401 1.00 0.39 C ATOM 127 O GLN A 9 83.601 2.444 34.111 1.00 0.42 O ATOM 128 CB GLN A 9 86.724 1.503 33.791 1.00 0.39 C ATOM 129 CG GLN A 9 87.556 0.257 33.485 1.00 0.39 C ATOM 130 CD GLN A 9 88.874 0.330 34.259 1.00 0.54 C ATOM 131 OE1 GLN A 9 89.202 1.354 34.826 1.00 1.08 O ATOM 132 NE2 GLN A 9 89.649 -0.718 34.307 1.00 0.93 N ATOM 0 H GLN A 9 86.853 1.886 31.325 1.00 0.30 H new ATOM 0 HA GLN A 9 84.952 0.571 32.977 1.00 0.35 H new ATOM 0 HB2 GLN A 9 87.319 2.399 33.614 1.00 0.39 H new ATOM 0 HB3 GLN A 9 86.442 1.511 34.844 1.00 0.39 H new ATOM 0 HG2 GLN A 9 87.005 -0.641 33.765 1.00 0.39 H new ATOM 0 HG3 GLN A 9 87.752 0.190 32.415 1.00 0.39 H new ATOM 0 HE21 GLN A 9 89.374 -1.578 33.831 1.00 0.93 H new ATOM 0 HE22 GLN A 9 90.530 -0.678 34.820 1.00 0.93 H new ATOM 141 N GLU A 10 84.877 3.865 33.023 1.00 0.40 N ATOM 142 CA GLU A 10 84.060 5.033 33.454 1.00 0.45 C ATOM 143 C GLU A 10 82.623 4.892 32.930 1.00 0.44 C ATOM 144 O GLU A 10 81.671 5.220 33.610 1.00 0.48 O ATOM 145 CB GLU A 10 84.715 6.323 32.897 1.00 0.49 C ATOM 146 CG GLU A 10 85.066 7.290 34.036 1.00 1.33 C ATOM 147 CD GLU A 10 85.673 8.564 33.448 1.00 1.72 C ATOM 148 OE1 GLU A 10 86.551 8.446 32.610 1.00 2.08 O ATOM 149 OE2 GLU A 10 85.247 9.637 33.844 1.00 2.40 O ATOM 0 H GLU A 10 85.673 4.094 32.428 1.00 0.40 H new ATOM 0 HA GLU A 10 84.021 5.081 34.542 1.00 0.45 H new ATOM 0 HB2 GLU A 10 85.616 6.067 32.340 1.00 0.49 H new ATOM 0 HB3 GLU A 10 84.035 6.809 32.198 1.00 0.49 H new ATOM 0 HG2 GLU A 10 84.173 7.531 34.612 1.00 1.33 H new ATOM 0 HG3 GLU A 10 85.771 6.821 34.723 1.00 1.33 H new ATOM 156 N GLU A 11 82.463 4.429 31.719 1.00 0.41 N ATOM 157 CA GLU A 11 81.091 4.294 31.139 1.00 0.43 C ATOM 158 C GLU A 11 80.573 2.866 31.328 1.00 0.39 C ATOM 159 O GLU A 11 79.518 2.513 30.839 1.00 0.40 O ATOM 160 CB GLU A 11 81.138 4.641 29.650 1.00 0.47 C ATOM 161 CG GLU A 11 81.567 6.103 29.494 1.00 0.62 C ATOM 162 CD GLU A 11 81.535 6.500 28.017 1.00 1.29 C ATOM 163 OE1 GLU A 11 80.866 5.821 27.256 1.00 1.97 O ATOM 164 OE2 GLU A 11 82.172 7.483 27.675 1.00 2.01 O ATOM 0 H GLU A 11 83.223 4.138 31.104 1.00 0.41 H new ATOM 0 HA GLU A 11 80.414 4.977 31.652 1.00 0.43 H new ATOM 0 HB2 GLU A 11 81.838 3.986 29.132 1.00 0.47 H new ATOM 0 HB3 GLU A 11 80.160 4.485 29.196 1.00 0.47 H new ATOM 0 HG2 GLU A 11 80.903 6.749 30.068 1.00 0.62 H new ATOM 0 HG3 GLU A 11 82.571 6.241 29.895 1.00 0.62 H new ATOM 171 N CYS A 12 81.290 2.043 32.047 1.00 0.38 N ATOM 172 CA CYS A 12 80.808 0.650 32.274 1.00 0.37 C ATOM 173 C CYS A 12 79.365 0.713 32.779 1.00 0.39 C ATOM 174 O CYS A 12 78.512 -0.047 32.363 1.00 0.38 O ATOM 175 CB CYS A 12 81.688 -0.035 33.322 1.00 0.39 C ATOM 176 SG CYS A 12 81.099 -1.725 33.594 1.00 0.40 S ATOM 0 H CYS A 12 82.182 2.273 32.484 1.00 0.38 H new ATOM 0 HA CYS A 12 80.856 0.082 31.345 1.00 0.37 H new ATOM 0 HB2 CYS A 12 82.725 -0.050 32.988 1.00 0.39 H new ATOM 0 HB3 CYS A 12 81.662 0.525 34.257 1.00 0.39 H new ATOM 181 N GLU A 13 79.088 1.634 33.663 1.00 0.45 N ATOM 182 CA GLU A 13 77.703 1.782 34.194 1.00 0.51 C ATOM 183 C GLU A 13 76.757 2.087 33.032 1.00 0.48 C ATOM 184 O GLU A 13 75.619 1.681 33.027 1.00 0.51 O ATOM 185 CB GLU A 13 77.664 2.952 35.208 1.00 0.59 C ATOM 186 CG GLU A 13 77.649 2.427 36.647 1.00 1.23 C ATOM 187 CD GLU A 13 77.498 3.609 37.606 1.00 1.56 C ATOM 188 OE1 GLU A 13 77.712 4.729 37.171 1.00 2.11 O ATOM 189 OE2 GLU A 13 77.160 3.376 38.755 1.00 2.09 O ATOM 0 H GLU A 13 79.767 2.294 34.042 1.00 0.45 H new ATOM 0 HA GLU A 13 77.396 0.861 34.690 1.00 0.51 H new ATOM 0 HB2 GLU A 13 78.531 3.596 35.060 1.00 0.59 H new ATOM 0 HB3 GLU A 13 76.779 3.563 35.030 1.00 0.59 H new ATOM 0 HG2 GLU A 13 76.827 1.724 36.783 1.00 1.23 H new ATOM 0 HG3 GLU A 13 78.570 1.885 36.860 1.00 1.23 H new ATOM 196 N LYS A 14 77.217 2.837 32.074 1.00 0.47 N ATOM 197 CA LYS A 14 76.349 3.214 30.926 1.00 0.48 C ATOM 198 C LYS A 14 75.970 1.970 30.116 1.00 0.44 C ATOM 199 O LYS A 14 74.854 1.839 29.655 1.00 0.47 O ATOM 200 CB LYS A 14 77.108 4.209 30.044 1.00 0.50 C ATOM 201 CG LYS A 14 76.130 4.942 29.115 1.00 0.93 C ATOM 202 CD LYS A 14 76.854 6.113 28.420 1.00 1.29 C ATOM 203 CE LYS A 14 75.842 7.130 27.856 1.00 1.76 C ATOM 204 NZ LYS A 14 75.456 6.736 26.474 1.00 2.37 N ATOM 0 H LYS A 14 78.166 3.209 32.036 1.00 0.47 H new ATOM 0 HA LYS A 14 75.431 3.673 31.294 1.00 0.48 H new ATOM 0 HB2 LYS A 14 77.638 4.929 30.667 1.00 0.50 H new ATOM 0 HB3 LYS A 14 77.859 3.684 29.453 1.00 0.50 H new ATOM 0 HG2 LYS A 14 75.735 4.252 28.369 1.00 0.93 H new ATOM 0 HG3 LYS A 14 75.280 5.315 29.687 1.00 0.93 H new ATOM 0 HD2 LYS A 14 77.516 6.609 29.130 1.00 1.29 H new ATOM 0 HD3 LYS A 14 77.480 5.731 27.613 1.00 1.29 H new ATOM 0 HE2 LYS A 14 74.959 7.171 28.493 1.00 1.76 H new ATOM 0 HE3 LYS A 14 76.279 8.129 27.852 1.00 1.76 H new ATOM 0 HZ1 LYS A 14 74.773 7.423 26.095 1.00 2.37 H new ATOM 0 HZ2 LYS A 14 76.302 6.718 25.869 1.00 2.37 H new ATOM 0 HZ3 LYS A 14 75.023 5.791 26.491 1.00 2.37 H new ATOM 218 N TYR A 15 76.886 1.060 29.932 1.00 0.39 N ATOM 219 CA TYR A 15 76.568 -0.166 29.143 1.00 0.37 C ATOM 220 C TYR A 15 75.933 -1.216 30.058 1.00 0.39 C ATOM 221 O TYR A 15 75.386 -2.199 29.600 1.00 0.40 O ATOM 222 CB TYR A 15 77.857 -0.720 28.534 1.00 0.35 C ATOM 223 CG TYR A 15 78.407 0.281 27.547 1.00 0.38 C ATOM 224 CD1 TYR A 15 77.886 0.335 26.242 1.00 0.43 C ATOM 225 CD2 TYR A 15 79.436 1.164 27.930 1.00 0.42 C ATOM 226 CE1 TYR A 15 78.390 1.267 25.317 1.00 0.49 C ATOM 227 CE2 TYR A 15 79.943 2.098 27.005 1.00 0.48 C ATOM 228 CZ TYR A 15 79.420 2.149 25.698 1.00 0.50 C ATOM 229 OH TYR A 15 79.916 3.064 24.791 1.00 0.59 O ATOM 0 H TYR A 15 77.839 1.111 30.292 1.00 0.39 H new ATOM 0 HA TYR A 15 75.867 0.082 28.346 1.00 0.37 H new ATOM 0 HB2 TYR A 15 78.589 -0.917 29.317 1.00 0.35 H new ATOM 0 HB3 TYR A 15 77.660 -1.670 28.036 1.00 0.35 H new ATOM 0 HD1 TYR A 15 77.096 -0.341 25.949 1.00 0.43 H new ATOM 0 HD2 TYR A 15 79.836 1.125 28.932 1.00 0.42 H new ATOM 0 HE1 TYR A 15 77.988 1.306 24.316 1.00 0.49 H new ATOM 0 HE2 TYR A 15 80.732 2.775 27.298 1.00 0.48 H new ATOM 0 HH TYR A 15 79.877 2.684 23.888 1.00 0.59 H new ATOM 239 N HIS A 16 75.992 -1.008 31.347 1.00 0.42 N ATOM 240 CA HIS A 16 75.379 -1.981 32.300 1.00 0.47 C ATOM 241 C HIS A 16 75.990 -3.370 32.093 1.00 0.45 C ATOM 242 O HIS A 16 77.189 -3.527 31.977 1.00 0.45 O ATOM 243 CB HIS A 16 73.861 -2.060 32.077 1.00 0.51 C ATOM 244 CG HIS A 16 73.254 -0.685 32.118 1.00 0.60 C ATOM 245 ND1 HIS A 16 73.994 0.460 31.875 1.00 1.26 N ATOM 246 CD2 HIS A 16 71.974 -0.257 32.370 1.00 1.30 C ATOM 247 CE1 HIS A 16 73.164 1.513 31.987 1.00 1.04 C ATOM 248 NE2 HIS A 16 71.924 1.129 32.287 1.00 1.01 N ATOM 0 H HIS A 16 76.440 -0.202 31.783 1.00 0.42 H new ATOM 0 HA HIS A 16 75.577 -1.641 33.317 1.00 0.47 H new ATOM 0 HB2 HIS A 16 73.652 -2.528 31.115 1.00 0.51 H new ATOM 0 HB3 HIS A 16 73.406 -2.688 32.843 1.00 0.51 H new ATOM 0 HD2 HIS A 16 71.136 -0.899 32.598 1.00 1.30 H new ATOM 0 HE1 HIS A 16 73.465 2.541 31.851 1.00 1.04 H new ATOM 0 HE2 HIS A 16 71.109 1.727 32.426 1.00 1.01 H new ATOM 257 N SER A 17 75.159 -4.377 32.053 1.00 0.48 N ATOM 258 CA SER A 17 75.652 -5.769 31.862 1.00 0.51 C ATOM 259 C SER A 17 75.831 -6.052 30.363 1.00 0.46 C ATOM 260 O SER A 17 76.282 -7.111 29.976 1.00 0.48 O ATOM 261 CB SER A 17 74.627 -6.740 32.473 1.00 0.60 C ATOM 262 OG SER A 17 75.109 -7.194 33.730 1.00 1.44 O ATOM 0 H SER A 17 74.147 -4.291 32.146 1.00 0.48 H new ATOM 0 HA SER A 17 76.615 -5.900 32.355 1.00 0.51 H new ATOM 0 HB2 SER A 17 73.665 -6.243 32.596 1.00 0.60 H new ATOM 0 HB3 SER A 17 74.465 -7.586 31.805 1.00 0.60 H new ATOM 0 HG SER A 17 74.459 -7.812 34.126 1.00 1.44 H new ATOM 268 N ASN A 18 75.472 -5.124 29.518 1.00 0.43 N ATOM 269 CA ASN A 18 75.617 -5.364 28.053 1.00 0.41 C ATOM 270 C ASN A 18 77.066 -5.125 27.630 1.00 0.34 C ATOM 271 O ASN A 18 77.392 -4.116 27.038 1.00 0.32 O ATOM 272 CB ASN A 18 74.704 -4.408 27.284 1.00 0.44 C ATOM 273 CG ASN A 18 73.245 -4.806 27.502 1.00 0.54 C ATOM 274 OD1 ASN A 18 72.957 -5.924 27.880 1.00 0.58 O ATOM 275 ND2 ASN A 18 72.304 -3.931 27.273 1.00 0.70 N ATOM 0 H ASN A 18 75.087 -4.215 29.776 1.00 0.43 H new ATOM 0 HA ASN A 18 75.339 -6.395 27.832 1.00 0.41 H new ATOM 0 HB2 ASN A 18 74.866 -3.384 27.621 1.00 0.44 H new ATOM 0 HB3 ASN A 18 74.944 -4.436 26.221 1.00 0.44 H new ATOM 0 HD21 ASN A 18 71.326 -4.186 27.411 1.00 0.70 H new ATOM 0 HD22 ASN A 18 72.547 -2.992 26.956 1.00 0.70 H new ATOM 282 N TRP A 19 77.936 -6.052 27.921 1.00 0.32 N ATOM 283 CA TRP A 19 79.360 -5.885 27.524 1.00 0.28 C ATOM 284 C TRP A 19 79.484 -6.003 26.004 1.00 0.27 C ATOM 285 O TRP A 19 80.389 -5.461 25.401 1.00 0.25 O ATOM 286 CB TRP A 19 80.209 -6.967 28.196 1.00 0.30 C ATOM 287 CG TRP A 19 79.717 -8.323 27.796 1.00 0.33 C ATOM 288 CD1 TRP A 19 78.784 -9.038 28.468 1.00 0.41 C ATOM 289 CD2 TRP A 19 80.110 -9.137 26.652 1.00 0.32 C ATOM 290 NE1 TRP A 19 78.584 -10.242 27.817 1.00 0.44 N ATOM 291 CE2 TRP A 19 79.375 -10.353 26.692 1.00 0.39 C ATOM 292 CE3 TRP A 19 81.027 -8.945 25.592 1.00 0.29 C ATOM 293 CZ2 TRP A 19 79.543 -11.344 25.714 1.00 0.42 C ATOM 294 CZ3 TRP A 19 81.199 -9.940 24.605 1.00 0.35 C ATOM 295 CH2 TRP A 19 80.458 -11.137 24.668 1.00 0.40 C ATOM 0 H TRP A 19 77.721 -6.917 28.416 1.00 0.32 H new ATOM 0 HA TRP A 19 79.712 -4.903 27.839 1.00 0.28 H new ATOM 0 HB2 TRP A 19 81.254 -6.851 27.910 1.00 0.30 H new ATOM 0 HB3 TRP A 19 80.161 -6.858 29.280 1.00 0.30 H new ATOM 0 HD1 TRP A 19 78.278 -8.720 29.367 1.00 0.41 H new ATOM 0 HE1 TRP A 19 77.931 -10.960 28.130 1.00 0.44 H new ATOM 0 HE3 TRP A 19 81.600 -8.031 25.537 1.00 0.29 H new ATOM 0 HZ2 TRP A 19 78.973 -12.260 25.765 1.00 0.42 H new ATOM 0 HZ3 TRP A 19 81.901 -9.783 23.799 1.00 0.35 H new ATOM 0 HH2 TRP A 19 80.594 -11.896 23.912 1.00 0.40 H new ATOM 306 N ARG A 20 78.584 -6.713 25.381 1.00 0.31 N ATOM 307 CA ARG A 20 78.653 -6.873 23.901 1.00 0.33 C ATOM 308 C ARG A 20 78.565 -5.510 23.217 1.00 0.33 C ATOM 309 O ARG A 20 79.262 -5.242 22.258 1.00 0.34 O ATOM 310 CB ARG A 20 77.490 -7.742 23.429 1.00 0.41 C ATOM 311 CG ARG A 20 77.710 -9.181 23.891 1.00 0.48 C ATOM 312 CD ARG A 20 76.576 -10.059 23.366 1.00 0.71 C ATOM 313 NE ARG A 20 76.792 -11.462 23.818 1.00 0.85 N ATOM 314 CZ ARG A 20 75.831 -12.336 23.710 1.00 1.32 C ATOM 315 NH1 ARG A 20 74.679 -11.978 23.213 1.00 1.69 N ATOM 316 NH2 ARG A 20 76.022 -13.566 24.098 1.00 1.63 N ATOM 0 H ARG A 20 77.804 -7.189 25.833 1.00 0.31 H new ATOM 0 HA ARG A 20 79.601 -7.344 23.642 1.00 0.33 H new ATOM 0 HB2 ARG A 20 76.551 -7.360 23.829 1.00 0.41 H new ATOM 0 HB3 ARG A 20 77.412 -7.705 22.342 1.00 0.41 H new ATOM 0 HG2 ARG A 20 78.669 -9.549 23.527 1.00 0.48 H new ATOM 0 HG3 ARG A 20 77.745 -9.224 24.980 1.00 0.48 H new ATOM 0 HD2 ARG A 20 75.617 -9.691 23.730 1.00 0.71 H new ATOM 0 HD3 ARG A 20 76.541 -10.016 22.277 1.00 0.71 H new ATOM 0 HE ARG A 20 77.691 -11.739 24.212 1.00 0.85 H new ATOM 0 HH11 ARG A 20 74.531 -11.015 22.910 1.00 1.69 H new ATOM 0 HH12 ARG A 20 73.926 -12.661 23.128 1.00 1.69 H new ATOM 0 HH21 ARG A 20 76.923 -13.844 24.486 1.00 1.63 H new ATOM 0 HH22 ARG A 20 75.270 -14.250 24.014 1.00 1.63 H new ATOM 330 N ALA A 21 77.716 -4.646 23.695 1.00 0.35 N ATOM 331 CA ALA A 21 77.593 -3.307 23.058 1.00 0.38 C ATOM 332 C ALA A 21 78.899 -2.538 23.263 1.00 0.35 C ATOM 333 O ALA A 21 79.399 -1.890 22.365 1.00 0.38 O ATOM 334 CB ALA A 21 76.435 -2.543 23.702 1.00 0.42 C ATOM 0 H ALA A 21 77.105 -4.807 24.495 1.00 0.35 H new ATOM 0 HA ALA A 21 77.398 -3.418 21.991 1.00 0.38 H new ATOM 0 HB1 ALA A 21 76.343 -1.562 23.237 1.00 0.42 H new ATOM 0 HB2 ALA A 21 75.509 -3.100 23.561 1.00 0.42 H new ATOM 0 HB3 ALA A 21 76.627 -2.422 24.768 1.00 0.42 H new ATOM 340 N MET A 22 79.464 -2.617 24.437 1.00 0.32 N ATOM 341 CA MET A 22 80.747 -1.908 24.700 1.00 0.33 C ATOM 342 C MET A 22 81.831 -2.469 23.775 1.00 0.30 C ATOM 343 O MET A 22 82.587 -1.736 23.171 1.00 0.30 O ATOM 344 CB MET A 22 81.144 -2.113 26.163 1.00 0.38 C ATOM 345 CG MET A 22 82.461 -1.390 26.448 1.00 0.37 C ATOM 346 SD MET A 22 82.721 -1.289 28.238 1.00 0.84 S ATOM 347 CE MET A 22 82.692 -3.065 28.585 1.00 0.62 C ATOM 0 H MET A 22 79.091 -3.144 25.227 1.00 0.32 H new ATOM 0 HA MET A 22 80.631 -0.841 24.508 1.00 0.33 H new ATOM 0 HB2 MET A 22 80.361 -1.733 26.819 1.00 0.38 H new ATOM 0 HB3 MET A 22 81.249 -3.177 26.375 1.00 0.38 H new ATOM 0 HG2 MET A 22 83.289 -1.922 25.979 1.00 0.37 H new ATOM 0 HG3 MET A 22 82.440 -0.389 26.016 1.00 0.37 H new ATOM 0 HE1 MET A 22 83.325 -3.278 29.446 1.00 0.62 H new ATOM 0 HE2 MET A 22 81.670 -3.377 28.800 1.00 0.62 H new ATOM 0 HE3 MET A 22 83.064 -3.611 27.718 1.00 0.62 H new ATOM 357 N ALA A 23 81.901 -3.764 23.646 1.00 0.30 N ATOM 358 CA ALA A 23 82.925 -4.371 22.748 1.00 0.31 C ATOM 359 C ALA A 23 82.737 -3.812 21.336 1.00 0.32 C ATOM 360 O ALA A 23 83.687 -3.532 20.632 1.00 0.33 O ATOM 361 CB ALA A 23 82.737 -5.889 22.722 1.00 0.35 C ATOM 0 H ALA A 23 81.293 -4.430 24.123 1.00 0.30 H new ATOM 0 HA ALA A 23 83.926 -4.135 23.110 1.00 0.31 H new ATOM 0 HB1 ALA A 23 83.484 -6.337 22.066 1.00 0.35 H new ATOM 0 HB2 ALA A 23 82.853 -6.287 23.730 1.00 0.35 H new ATOM 0 HB3 ALA A 23 81.740 -6.126 22.351 1.00 0.35 H new ATOM 367 N SER A 24 81.509 -3.657 20.918 1.00 0.34 N ATOM 368 CA SER A 24 81.235 -3.126 19.552 1.00 0.38 C ATOM 369 C SER A 24 81.703 -1.665 19.451 1.00 0.38 C ATOM 370 O SER A 24 82.212 -1.241 18.432 1.00 0.42 O ATOM 371 CB SER A 24 79.725 -3.235 19.268 1.00 0.43 C ATOM 372 OG SER A 24 79.511 -4.222 18.268 1.00 1.22 O ATOM 0 H SER A 24 80.679 -3.877 21.468 1.00 0.34 H new ATOM 0 HA SER A 24 81.783 -3.708 18.811 1.00 0.38 H new ATOM 0 HB2 SER A 24 79.189 -3.500 20.179 1.00 0.43 H new ATOM 0 HB3 SER A 24 79.334 -2.273 18.937 1.00 0.43 H new ATOM 0 HG SER A 24 78.552 -4.298 18.083 1.00 1.22 H new ATOM 378 N ASP A 25 81.528 -0.892 20.488 1.00 0.36 N ATOM 379 CA ASP A 25 81.958 0.538 20.425 1.00 0.39 C ATOM 380 C ASP A 25 83.485 0.630 20.406 1.00 0.37 C ATOM 381 O ASP A 25 84.052 1.417 19.674 1.00 0.40 O ATOM 382 CB ASP A 25 81.418 1.300 21.651 1.00 0.40 C ATOM 383 CG ASP A 25 79.971 1.755 21.415 1.00 1.10 C ATOM 384 OD1 ASP A 25 79.503 1.644 20.294 1.00 1.78 O ATOM 385 OD2 ASP A 25 79.358 2.213 22.365 1.00 1.81 O ATOM 0 H ASP A 25 81.109 -1.184 21.371 1.00 0.36 H new ATOM 0 HA ASP A 25 81.560 0.983 19.513 1.00 0.39 H new ATOM 0 HB2 ASP A 25 81.464 0.660 22.532 1.00 0.40 H new ATOM 0 HB3 ASP A 25 82.048 2.166 21.853 1.00 0.40 H new ATOM 390 N PHE A 26 84.158 -0.155 21.200 1.00 0.34 N ATOM 391 CA PHE A 26 85.652 -0.092 21.219 1.00 0.34 C ATOM 392 C PHE A 26 86.225 -1.166 20.288 1.00 0.35 C ATOM 393 O PHE A 26 87.423 -1.288 20.131 1.00 0.37 O ATOM 394 CB PHE A 26 86.156 -0.328 22.639 1.00 0.33 C ATOM 395 CG PHE A 26 85.768 0.833 23.531 1.00 0.33 C ATOM 396 CD1 PHE A 26 84.523 0.836 24.191 1.00 0.35 C ATOM 397 CD2 PHE A 26 86.662 1.907 23.715 1.00 0.36 C ATOM 398 CE1 PHE A 26 84.173 1.911 25.030 1.00 0.38 C ATOM 399 CE2 PHE A 26 86.310 2.982 24.553 1.00 0.38 C ATOM 400 CZ PHE A 26 85.066 2.984 25.210 1.00 0.39 C ATOM 0 H PHE A 26 83.743 -0.836 21.836 1.00 0.34 H new ATOM 0 HA PHE A 26 85.975 0.892 20.878 1.00 0.34 H new ATOM 0 HB2 PHE A 26 85.737 -1.254 23.032 1.00 0.33 H new ATOM 0 HB3 PHE A 26 87.240 -0.446 22.633 1.00 0.33 H new ATOM 0 HD1 PHE A 26 83.837 0.013 24.053 1.00 0.35 H new ATOM 0 HD2 PHE A 26 87.618 1.905 23.213 1.00 0.36 H new ATOM 0 HE1 PHE A 26 83.219 1.912 25.536 1.00 0.38 H new ATOM 0 HE2 PHE A 26 86.995 3.805 24.692 1.00 0.38 H new ATOM 0 HZ PHE A 26 84.796 3.809 25.853 1.00 0.39 H new ATOM 410 N ASN A 27 85.376 -1.932 19.659 1.00 0.36 N ATOM 411 CA ASN A 27 85.862 -2.987 18.720 1.00 0.39 C ATOM 412 C ASN A 27 86.889 -3.897 19.403 1.00 0.36 C ATOM 413 O ASN A 27 87.926 -4.191 18.843 1.00 0.41 O ATOM 414 CB ASN A 27 86.510 -2.324 17.502 1.00 0.44 C ATOM 415 CG ASN A 27 85.478 -1.451 16.786 1.00 0.50 C ATOM 416 OD1 ASN A 27 85.788 -0.363 16.341 1.00 0.75 O ATOM 417 ND2 ASN A 27 84.254 -1.884 16.655 1.00 0.63 N ATOM 0 H ASN A 27 84.362 -1.873 19.754 1.00 0.36 H new ATOM 0 HA ASN A 27 85.010 -3.592 18.411 1.00 0.39 H new ATOM 0 HB2 ASN A 27 87.361 -1.718 17.814 1.00 0.44 H new ATOM 0 HB3 ASN A 27 86.893 -3.085 16.822 1.00 0.44 H new ATOM 0 HD21 ASN A 27 83.558 -1.310 16.179 1.00 0.63 H new ATOM 0 HD22 ASN A 27 83.993 -2.797 17.028 1.00 0.63 H new ATOM 424 N LEU A 28 86.604 -4.363 20.598 1.00 0.32 N ATOM 425 CA LEU A 28 87.561 -5.279 21.311 1.00 0.32 C ATOM 426 C LEU A 28 86.917 -6.667 21.442 1.00 0.32 C ATOM 427 O LEU A 28 85.712 -6.781 21.535 1.00 0.46 O ATOM 428 CB LEU A 28 87.836 -4.756 22.729 1.00 0.32 C ATOM 429 CG LEU A 28 88.757 -3.516 22.719 1.00 0.33 C ATOM 430 CD1 LEU A 28 88.684 -2.792 24.103 1.00 0.34 C ATOM 431 CD2 LEU A 28 90.215 -3.948 22.437 1.00 0.40 C ATOM 0 H LEU A 28 85.750 -4.149 21.113 1.00 0.32 H new ATOM 0 HA LEU A 28 88.491 -5.327 20.744 1.00 0.32 H new ATOM 0 HB2 LEU A 28 86.892 -4.503 23.212 1.00 0.32 H new ATOM 0 HB3 LEU A 28 88.296 -5.545 23.324 1.00 0.32 H new ATOM 0 HG LEU A 28 88.426 -2.833 21.937 1.00 0.33 H new ATOM 0 HD11 LEU A 28 89.335 -1.918 24.091 1.00 0.34 H new ATOM 0 HD12 LEU A 28 87.658 -2.478 24.296 1.00 0.34 H new ATOM 0 HD13 LEU A 28 89.008 -3.475 24.888 1.00 0.34 H new ATOM 0 HD21 LEU A 28 90.860 -3.069 22.431 1.00 0.40 H new ATOM 0 HD22 LEU A 28 90.547 -4.637 23.214 1.00 0.40 H new ATOM 0 HD23 LEU A 28 90.267 -4.443 21.467 1.00 0.40 H new ATOM 443 N PRO A 29 87.706 -7.718 21.475 1.00 0.29 N ATOM 444 CA PRO A 29 87.166 -9.098 21.628 1.00 0.30 C ATOM 445 C PRO A 29 86.607 -9.326 23.049 1.00 0.27 C ATOM 446 O PRO A 29 87.025 -8.677 23.988 1.00 0.30 O ATOM 447 CB PRO A 29 88.375 -10.007 21.350 1.00 0.35 C ATOM 448 CG PRO A 29 89.577 -9.166 21.654 1.00 0.63 C ATOM 449 CD PRO A 29 89.177 -7.714 21.368 1.00 0.42 C ATOM 0 HA PRO A 29 86.333 -9.297 20.954 1.00 0.30 H new ATOM 0 HB2 PRO A 29 88.350 -10.899 21.977 1.00 0.35 H new ATOM 0 HB3 PRO A 29 88.383 -10.346 20.314 1.00 0.35 H new ATOM 0 HG2 PRO A 29 89.882 -9.287 22.694 1.00 0.63 H new ATOM 0 HG3 PRO A 29 90.425 -9.464 21.037 1.00 0.63 H new ATOM 0 HD2 PRO A 29 89.627 -7.028 22.086 1.00 0.42 H new ATOM 0 HD3 PRO A 29 89.504 -7.398 20.377 1.00 0.42 H new ATOM 457 N PRO A 30 85.669 -10.230 23.208 1.00 0.27 N ATOM 458 CA PRO A 30 85.057 -10.522 24.537 1.00 0.26 C ATOM 459 C PRO A 30 86.086 -10.606 25.681 1.00 0.24 C ATOM 460 O PRO A 30 85.746 -10.444 26.837 1.00 0.24 O ATOM 461 CB PRO A 30 84.373 -11.885 24.341 1.00 0.31 C ATOM 462 CG PRO A 30 84.113 -12.013 22.866 1.00 0.53 C ATOM 463 CD PRO A 30 85.087 -11.068 22.142 1.00 0.36 C ATOM 0 HA PRO A 30 84.378 -9.722 24.833 1.00 0.26 H new ATOM 0 HB2 PRO A 30 85.010 -12.695 24.696 1.00 0.31 H new ATOM 0 HB3 PRO A 30 83.443 -11.939 24.907 1.00 0.31 H new ATOM 0 HG2 PRO A 30 84.262 -13.042 22.538 1.00 0.53 H new ATOM 0 HG3 PRO A 30 83.081 -11.751 22.634 1.00 0.53 H new ATOM 0 HD2 PRO A 30 85.859 -11.627 21.613 1.00 0.36 H new ATOM 0 HD3 PRO A 30 84.569 -10.460 21.400 1.00 0.36 H new ATOM 471 N VAL A 31 87.325 -10.888 25.382 1.00 0.24 N ATOM 472 CA VAL A 31 88.335 -11.013 26.477 1.00 0.24 C ATOM 473 C VAL A 31 88.435 -9.695 27.253 1.00 0.22 C ATOM 474 O VAL A 31 88.383 -9.681 28.467 1.00 0.24 O ATOM 475 CB VAL A 31 89.717 -11.363 25.865 1.00 0.26 C ATOM 476 CG1 VAL A 31 90.856 -11.297 26.950 1.00 0.28 C ATOM 477 CG2 VAL A 31 89.645 -12.773 25.191 1.00 0.29 C ATOM 0 H VAL A 31 87.681 -11.036 24.438 1.00 0.24 H new ATOM 0 HA VAL A 31 88.026 -11.804 27.161 1.00 0.24 H new ATOM 0 HB VAL A 31 89.966 -10.624 25.104 1.00 0.26 H new ATOM 0 HG11 VAL A 31 91.812 -11.547 26.490 1.00 0.28 H new ATOM 0 HG12 VAL A 31 90.906 -10.290 27.365 1.00 0.28 H new ATOM 0 HG13 VAL A 31 90.640 -12.008 27.748 1.00 0.28 H new ATOM 0 HG21 VAL A 31 90.615 -13.020 24.760 1.00 0.29 H new ATOM 0 HG22 VAL A 31 89.378 -13.520 25.938 1.00 0.29 H new ATOM 0 HG23 VAL A 31 88.891 -12.762 24.404 1.00 0.29 H new ATOM 487 N VAL A 32 88.604 -8.597 26.579 1.00 0.21 N ATOM 488 CA VAL A 32 88.736 -7.305 27.309 1.00 0.20 C ATOM 489 C VAL A 32 87.381 -6.834 27.825 1.00 0.18 C ATOM 490 O VAL A 32 87.273 -6.326 28.920 1.00 0.18 O ATOM 491 CB VAL A 32 89.325 -6.246 26.371 1.00 0.21 C ATOM 492 CG1 VAL A 32 89.335 -4.871 27.090 1.00 0.26 C ATOM 493 CG2 VAL A 32 90.761 -6.676 25.934 1.00 0.24 C ATOM 0 H VAL A 32 88.657 -8.534 25.562 1.00 0.21 H new ATOM 0 HA VAL A 32 89.398 -7.453 28.162 1.00 0.20 H new ATOM 0 HB VAL A 32 88.714 -6.155 25.473 1.00 0.21 H new ATOM 0 HG11 VAL A 32 89.754 -4.116 26.425 1.00 0.26 H new ATOM 0 HG12 VAL A 32 88.316 -4.593 27.358 1.00 0.26 H new ATOM 0 HG13 VAL A 32 89.943 -4.937 27.992 1.00 0.26 H new ATOM 0 HG21 VAL A 32 91.179 -5.922 25.267 1.00 0.24 H new ATOM 0 HG22 VAL A 32 91.396 -6.773 26.815 1.00 0.24 H new ATOM 0 HG23 VAL A 32 90.712 -7.633 25.415 1.00 0.24 H new ATOM 503 N ALA A 33 86.347 -6.983 27.052 1.00 0.19 N ATOM 504 CA ALA A 33 85.018 -6.514 27.522 1.00 0.19 C ATOM 505 C ALA A 33 84.653 -7.257 28.803 1.00 0.19 C ATOM 506 O ALA A 33 84.300 -6.661 29.801 1.00 0.18 O ATOM 507 CB ALA A 33 83.976 -6.799 26.441 1.00 0.23 C ATOM 0 H ALA A 33 86.362 -7.405 26.124 1.00 0.19 H new ATOM 0 HA ALA A 33 85.047 -5.443 27.721 1.00 0.19 H new ATOM 0 HB1 ALA A 33 82.998 -6.457 26.779 1.00 0.23 H new ATOM 0 HB2 ALA A 33 84.248 -6.273 25.526 1.00 0.23 H new ATOM 0 HB3 ALA A 33 83.938 -7.871 26.246 1.00 0.23 H new ATOM 513 N LYS A 34 84.753 -8.552 28.790 1.00 0.21 N ATOM 514 CA LYS A 34 84.433 -9.332 30.012 1.00 0.22 C ATOM 515 C LYS A 34 85.387 -8.929 31.136 1.00 0.21 C ATOM 516 O LYS A 34 85.002 -8.820 32.283 1.00 0.21 O ATOM 517 CB LYS A 34 84.557 -10.828 29.725 1.00 0.27 C ATOM 518 CG LYS A 34 83.414 -11.251 28.796 1.00 0.31 C ATOM 519 CD LYS A 34 83.364 -12.774 28.681 1.00 0.85 C ATOM 520 CE LYS A 34 82.223 -13.168 27.738 1.00 0.74 C ATOM 521 NZ LYS A 34 81.923 -14.618 27.889 1.00 1.40 N ATOM 0 H LYS A 34 85.043 -9.106 27.984 1.00 0.21 H new ATOM 0 HA LYS A 34 83.409 -9.121 30.318 1.00 0.22 H new ATOM 0 HB2 LYS A 34 85.519 -11.044 29.261 1.00 0.27 H new ATOM 0 HB3 LYS A 34 84.516 -11.395 30.655 1.00 0.27 H new ATOM 0 HG2 LYS A 34 82.465 -10.877 29.181 1.00 0.31 H new ATOM 0 HG3 LYS A 34 83.555 -10.809 27.810 1.00 0.31 H new ATOM 0 HD2 LYS A 34 84.313 -13.154 28.302 1.00 0.85 H new ATOM 0 HD3 LYS A 34 83.211 -13.221 29.664 1.00 0.85 H new ATOM 0 HE2 LYS A 34 81.334 -12.578 27.961 1.00 0.74 H new ATOM 0 HE3 LYS A 34 82.500 -12.950 26.706 1.00 0.74 H new ATOM 0 HZ1 LYS A 34 81.148 -14.881 27.247 1.00 1.40 H new ATOM 0 HZ2 LYS A 34 82.770 -15.174 27.655 1.00 1.40 H new ATOM 0 HZ3 LYS A 34 81.641 -14.814 28.871 1.00 1.40 H new ATOM 535 N GLU A 35 86.634 -8.717 30.818 1.00 0.21 N ATOM 536 CA GLU A 35 87.611 -8.334 31.873 1.00 0.23 C ATOM 537 C GLU A 35 87.168 -7.024 32.532 1.00 0.21 C ATOM 538 O GLU A 35 87.271 -6.858 33.731 1.00 0.24 O ATOM 539 CB GLU A 35 88.996 -8.139 31.251 1.00 0.24 C ATOM 540 CG GLU A 35 90.039 -7.939 32.358 1.00 0.29 C ATOM 541 CD GLU A 35 89.962 -6.510 32.908 1.00 0.31 C ATOM 542 OE1 GLU A 35 89.500 -5.639 32.189 1.00 1.02 O ATOM 543 OE2 GLU A 35 90.365 -6.312 34.043 1.00 1.10 O ATOM 0 H GLU A 35 87.017 -8.792 29.876 1.00 0.21 H new ATOM 0 HA GLU A 35 87.656 -9.126 32.621 1.00 0.23 H new ATOM 0 HB2 GLU A 35 89.258 -9.006 30.644 1.00 0.24 H new ATOM 0 HB3 GLU A 35 88.988 -7.275 30.586 1.00 0.24 H new ATOM 0 HG2 GLU A 35 89.868 -8.655 33.162 1.00 0.29 H new ATOM 0 HG3 GLU A 35 91.038 -8.132 31.966 1.00 0.29 H new ATOM 550 N ILE A 36 86.676 -6.092 31.761 1.00 0.18 N ATOM 551 CA ILE A 36 86.228 -4.799 32.353 1.00 0.19 C ATOM 552 C ILE A 36 85.082 -5.072 33.330 1.00 0.19 C ATOM 553 O ILE A 36 85.034 -4.528 34.416 1.00 0.23 O ATOM 554 CB ILE A 36 85.761 -3.870 31.231 1.00 0.18 C ATOM 555 CG1 ILE A 36 86.974 -3.480 30.374 1.00 0.19 C ATOM 556 CG2 ILE A 36 85.140 -2.611 31.835 1.00 0.22 C ATOM 557 CD1 ILE A 36 86.525 -2.783 29.077 1.00 0.21 C ATOM 0 H ILE A 36 86.565 -6.170 30.750 1.00 0.18 H new ATOM 0 HA ILE A 36 87.049 -4.322 32.889 1.00 0.19 H new ATOM 0 HB ILE A 36 85.018 -4.377 30.616 1.00 0.18 H new ATOM 0 HG12 ILE A 36 87.628 -2.817 30.941 1.00 0.19 H new ATOM 0 HG13 ILE A 36 87.555 -4.370 30.132 1.00 0.19 H new ATOM 0 HG21 ILE A 36 84.808 -1.950 31.035 1.00 0.22 H new ATOM 0 HG22 ILE A 36 84.287 -2.887 32.455 1.00 0.22 H new ATOM 0 HG23 ILE A 36 85.882 -2.097 32.446 1.00 0.22 H new ATOM 0 HD11 ILE A 36 87.401 -2.516 28.486 1.00 0.21 H new ATOM 0 HD12 ILE A 36 85.891 -3.458 28.502 1.00 0.21 H new ATOM 0 HD13 ILE A 36 85.965 -1.881 29.324 1.00 0.21 H new ATOM 569 N VAL A 37 84.174 -5.933 32.961 1.00 0.18 N ATOM 570 CA VAL A 37 83.048 -6.273 33.875 1.00 0.21 C ATOM 571 C VAL A 37 83.622 -6.973 35.104 1.00 0.27 C ATOM 572 O VAL A 37 83.203 -6.753 36.223 1.00 0.29 O ATOM 573 CB VAL A 37 82.083 -7.221 33.147 1.00 0.25 C ATOM 574 CG1 VAL A 37 81.068 -7.823 34.142 1.00 0.35 C ATOM 575 CG2 VAL A 37 81.344 -6.437 32.057 1.00 0.29 C ATOM 0 H VAL A 37 84.164 -6.417 32.063 1.00 0.18 H new ATOM 0 HA VAL A 37 82.513 -5.372 34.175 1.00 0.21 H new ATOM 0 HB VAL A 37 82.648 -8.037 32.697 1.00 0.25 H new ATOM 0 HG11 VAL A 37 80.391 -8.492 33.611 1.00 0.35 H new ATOM 0 HG12 VAL A 37 81.601 -8.381 34.912 1.00 0.35 H new ATOM 0 HG13 VAL A 37 80.494 -7.021 34.607 1.00 0.35 H new ATOM 0 HG21 VAL A 37 80.656 -7.101 31.534 1.00 0.29 H new ATOM 0 HG22 VAL A 37 80.784 -5.620 32.513 1.00 0.29 H new ATOM 0 HG23 VAL A 37 82.066 -6.031 31.348 1.00 0.29 H new ATOM 585 N ALA A 38 84.584 -7.819 34.884 1.00 0.32 N ATOM 586 CA ALA A 38 85.221 -8.564 36.001 1.00 0.41 C ATOM 587 C ALA A 38 85.902 -7.605 36.975 1.00 0.43 C ATOM 588 O ALA A 38 86.230 -7.973 38.081 1.00 0.49 O ATOM 589 CB ALA A 38 86.264 -9.496 35.428 1.00 0.49 C ATOM 0 H ALA A 38 84.963 -8.030 33.961 1.00 0.32 H new ATOM 0 HA ALA A 38 84.452 -9.121 36.537 1.00 0.41 H new ATOM 0 HB1 ALA A 38 86.741 -10.050 36.237 1.00 0.49 H new ATOM 0 HB2 ALA A 38 85.789 -10.195 34.740 1.00 0.49 H new ATOM 0 HB3 ALA A 38 87.016 -8.916 34.893 1.00 0.49 H new ATOM 595 N SER A 39 86.136 -6.384 36.581 1.00 0.42 N ATOM 596 CA SER A 39 86.807 -5.422 37.507 1.00 0.49 C ATOM 597 C SER A 39 85.730 -4.599 38.205 1.00 0.46 C ATOM 598 O SER A 39 85.822 -4.303 39.380 1.00 0.52 O ATOM 599 CB SER A 39 87.733 -4.506 36.710 1.00 0.57 C ATOM 600 OG SER A 39 88.816 -5.273 36.198 1.00 0.64 O ATOM 0 H SER A 39 85.894 -6.010 35.663 1.00 0.42 H new ATOM 0 HA SER A 39 87.401 -5.959 38.247 1.00 0.49 H new ATOM 0 HB2 SER A 39 87.185 -4.036 35.893 1.00 0.57 H new ATOM 0 HB3 SER A 39 88.107 -3.704 37.346 1.00 0.57 H new ATOM 0 HG SER A 39 88.784 -5.271 35.219 1.00 0.64 H new ATOM 606 N CYS A 40 84.688 -4.258 37.500 1.00 0.41 N ATOM 607 CA CYS A 40 83.586 -3.493 38.138 1.00 0.42 C ATOM 608 C CYS A 40 83.037 -4.341 39.285 1.00 0.44 C ATOM 609 O CYS A 40 82.779 -5.514 39.123 1.00 0.47 O ATOM 610 CB CYS A 40 82.487 -3.231 37.111 1.00 0.37 C ATOM 611 SG CYS A 40 81.318 -2.016 37.768 1.00 0.49 S ATOM 0 H CYS A 40 84.554 -4.476 36.513 1.00 0.41 H new ATOM 0 HA CYS A 40 83.946 -2.535 38.513 1.00 0.42 H new ATOM 0 HB2 CYS A 40 82.924 -2.865 36.182 1.00 0.37 H new ATOM 0 HB3 CYS A 40 81.967 -4.160 36.875 1.00 0.37 H new ATOM 616 N ASP A 41 82.878 -3.776 40.446 1.00 0.53 N ATOM 617 CA ASP A 41 82.373 -4.584 41.594 1.00 0.62 C ATOM 618 C ASP A 41 80.859 -4.795 41.491 1.00 0.59 C ATOM 619 O ASP A 41 80.331 -5.774 41.980 1.00 0.64 O ATOM 620 CB ASP A 41 82.689 -3.855 42.901 1.00 0.77 C ATOM 621 CG ASP A 41 84.197 -3.890 43.154 1.00 0.86 C ATOM 622 OD1 ASP A 41 84.861 -4.714 42.546 1.00 1.52 O ATOM 623 OD2 ASP A 41 84.662 -3.096 43.954 1.00 1.25 O ATOM 0 H ASP A 41 83.073 -2.796 40.652 1.00 0.53 H new ATOM 0 HA ASP A 41 82.863 -5.557 41.574 1.00 0.62 H new ATOM 0 HB2 ASP A 41 82.343 -2.823 42.847 1.00 0.77 H new ATOM 0 HB3 ASP A 41 82.160 -4.326 43.729 1.00 0.77 H new ATOM 628 N LYS A 42 80.150 -3.883 40.890 1.00 0.56 N ATOM 629 CA LYS A 42 78.669 -4.043 40.802 1.00 0.57 C ATOM 630 C LYS A 42 78.291 -5.072 39.733 1.00 0.53 C ATOM 631 O LYS A 42 77.410 -5.885 39.933 1.00 0.59 O ATOM 632 CB LYS A 42 78.036 -2.695 40.464 1.00 0.58 C ATOM 633 CG LYS A 42 78.390 -1.701 41.568 1.00 0.68 C ATOM 634 CD LYS A 42 77.766 -0.334 41.264 1.00 1.16 C ATOM 635 CE LYS A 42 78.196 0.700 42.329 1.00 1.39 C ATOM 636 NZ LYS A 42 76.998 1.445 42.806 1.00 2.05 N ATOM 0 H LYS A 42 80.526 -3.039 40.458 1.00 0.56 H new ATOM 0 HA LYS A 42 78.299 -4.398 41.764 1.00 0.57 H new ATOM 0 HB2 LYS A 42 78.400 -2.337 39.501 1.00 0.58 H new ATOM 0 HB3 LYS A 42 76.954 -2.796 40.378 1.00 0.58 H new ATOM 0 HG2 LYS A 42 78.030 -2.069 42.529 1.00 0.68 H new ATOM 0 HG3 LYS A 42 79.473 -1.606 41.649 1.00 0.68 H new ATOM 0 HD2 LYS A 42 78.075 0.003 40.275 1.00 1.16 H new ATOM 0 HD3 LYS A 42 76.679 -0.418 41.247 1.00 1.16 H new ATOM 0 HE2 LYS A 42 78.682 0.197 43.165 1.00 1.39 H new ATOM 0 HE3 LYS A 42 78.924 1.392 41.907 1.00 1.39 H new ATOM 0 HZ1 LYS A 42 77.285 2.142 43.523 1.00 2.05 H new ATOM 0 HZ2 LYS A 42 76.553 1.936 42.005 1.00 2.05 H new ATOM 0 HZ3 LYS A 42 76.318 0.778 43.224 1.00 2.05 H new ATOM 650 N CYS A 43 78.936 -5.049 38.599 1.00 0.49 N ATOM 651 CA CYS A 43 78.587 -6.032 37.533 1.00 0.52 C ATOM 652 C CYS A 43 79.249 -7.381 37.839 1.00 0.60 C ATOM 653 O CYS A 43 78.954 -8.380 37.214 1.00 0.68 O ATOM 654 CB CYS A 43 79.050 -5.509 36.173 1.00 0.49 C ATOM 655 SG CYS A 43 78.181 -3.966 35.795 1.00 0.52 S ATOM 0 H CYS A 43 79.685 -4.397 38.365 1.00 0.49 H new ATOM 0 HA CYS A 43 77.506 -6.168 37.505 1.00 0.52 H new ATOM 0 HB2 CYS A 43 80.127 -5.340 36.183 1.00 0.49 H new ATOM 0 HB3 CYS A 43 78.851 -6.250 35.399 1.00 0.49 H new ATOM 660 N GLN A 44 80.133 -7.421 38.803 1.00 0.67 N ATOM 661 CA GLN A 44 80.797 -8.713 39.150 1.00 0.78 C ATOM 662 C GLN A 44 79.794 -9.599 39.882 1.00 0.64 C ATOM 663 O GLN A 44 79.383 -10.632 39.391 1.00 0.67 O ATOM 664 CB GLN A 44 81.991 -8.439 40.079 1.00 0.97 C ATOM 665 CG GLN A 44 82.693 -9.766 40.506 1.00 1.10 C ATOM 666 CD GLN A 44 84.041 -9.913 39.798 1.00 0.46 C ATOM 667 OE1 GLN A 44 84.393 -10.986 39.349 1.00 0.75 O ATOM 668 NE2 GLN A 44 84.813 -8.874 39.684 1.00 0.79 N ATOM 0 H GLN A 44 80.423 -6.619 39.362 1.00 0.67 H new ATOM 0 HA GLN A 44 81.144 -9.206 38.242 1.00 0.78 H new ATOM 0 HB2 GLN A 44 82.708 -7.792 39.573 1.00 0.97 H new ATOM 0 HB3 GLN A 44 81.650 -7.904 40.965 1.00 0.97 H new ATOM 0 HG2 GLN A 44 82.840 -9.775 41.586 1.00 1.10 H new ATOM 0 HG3 GLN A 44 82.054 -10.616 40.264 1.00 1.10 H new ATOM 0 HE21 GLN A 44 84.516 -7.974 40.061 1.00 0.79 H new ATOM 0 HE22 GLN A 44 85.716 -8.958 39.217 1.00 0.79 H new ATOM 677 N LEU A 45 79.399 -9.200 41.056 1.00 0.62 N ATOM 678 CA LEU A 45 78.423 -10.013 41.829 1.00 0.60 C ATOM 679 C LEU A 45 77.014 -9.687 41.338 1.00 0.66 C ATOM 680 O LEU A 45 76.719 -8.568 40.966 1.00 0.75 O ATOM 681 CB LEU A 45 78.528 -9.663 43.317 1.00 0.75 C ATOM 682 CG LEU A 45 79.961 -9.901 43.828 1.00 0.83 C ATOM 683 CD1 LEU A 45 80.055 -9.534 45.336 1.00 1.05 C ATOM 684 CD2 LEU A 45 80.353 -11.379 43.613 1.00 0.75 C ATOM 0 H LEU A 45 79.711 -8.344 41.515 1.00 0.62 H new ATOM 0 HA LEU A 45 78.635 -11.073 41.690 1.00 0.60 H new ATOM 0 HB2 LEU A 45 78.249 -8.621 43.472 1.00 0.75 H new ATOM 0 HB3 LEU A 45 77.826 -10.269 43.890 1.00 0.75 H new ATOM 0 HG LEU A 45 80.650 -9.267 43.270 1.00 0.83 H new ATOM 0 HD11 LEU A 45 81.072 -9.705 45.689 1.00 1.05 H new ATOM 0 HD12 LEU A 45 79.796 -8.484 45.472 1.00 1.05 H new ATOM 0 HD13 LEU A 45 79.364 -10.155 45.905 1.00 1.05 H new ATOM 0 HD21 LEU A 45 81.368 -11.543 43.976 1.00 0.75 H new ATOM 0 HD22 LEU A 45 79.664 -12.022 44.161 1.00 0.75 H new ATOM 0 HD23 LEU A 45 80.305 -11.617 42.550 1.00 0.75 H new ATOM 696 N LYS A 46 76.138 -10.651 41.341 1.00 0.76 N ATOM 697 CA LYS A 46 74.745 -10.389 40.883 1.00 0.94 C ATOM 698 C LYS A 46 73.996 -9.624 41.979 1.00 1.08 C ATOM 699 O LYS A 46 73.321 -10.206 42.803 1.00 1.62 O ATOM 700 CB LYS A 46 74.040 -11.727 40.605 1.00 1.15 C ATOM 701 CG LYS A 46 74.360 -12.212 39.187 1.00 1.66 C ATOM 702 CD LYS A 46 73.661 -13.553 38.941 1.00 2.10 C ATOM 703 CE LYS A 46 73.641 -13.858 37.441 1.00 2.83 C ATOM 704 NZ LYS A 46 74.909 -13.387 36.818 1.00 3.56 N ATOM 0 H LYS A 46 76.325 -11.608 41.640 1.00 0.76 H new ATOM 0 HA LYS A 46 74.758 -9.795 39.969 1.00 0.94 H new ATOM 0 HB2 LYS A 46 74.360 -12.473 41.333 1.00 1.15 H new ATOM 0 HB3 LYS A 46 72.963 -11.609 40.722 1.00 1.15 H new ATOM 0 HG2 LYS A 46 74.028 -11.476 38.455 1.00 1.66 H new ATOM 0 HG3 LYS A 46 75.437 -12.322 39.062 1.00 1.66 H new ATOM 0 HD2 LYS A 46 74.180 -14.348 39.476 1.00 2.10 H new ATOM 0 HD3 LYS A 46 72.643 -13.520 39.329 1.00 2.10 H new ATOM 0 HE2 LYS A 46 73.521 -14.929 37.279 1.00 2.83 H new ATOM 0 HE3 LYS A 46 72.789 -13.367 36.971 1.00 2.83 H new ATOM 0 HZ1 LYS A 46 75.027 -13.837 35.888 1.00 3.56 H new ATOM 0 HZ2 LYS A 46 74.876 -12.354 36.702 1.00 3.56 H new ATOM 0 HZ3 LYS A 46 75.711 -13.641 37.429 1.00 3.56 H new TER 718 LYS A 46 ATOM 719 N PHE B 1 96.078 -11.699 23.005 1.00 0.63 N ATOM 720 CA PHE B 1 95.057 -12.781 22.962 1.00 0.34 C ATOM 721 C PHE B 1 95.672 -14.023 22.316 1.00 0.33 C ATOM 722 O PHE B 1 95.698 -14.167 21.110 1.00 0.38 O ATOM 723 CB PHE B 1 93.845 -12.303 22.165 1.00 0.54 C ATOM 724 CG PHE B 1 93.571 -10.848 22.498 1.00 0.47 C ATOM 725 CD1 PHE B 1 93.150 -10.482 23.796 1.00 0.64 C ATOM 726 CD2 PHE B 1 93.754 -9.851 21.515 1.00 0.77 C ATOM 727 CE1 PHE B 1 92.909 -9.128 24.104 1.00 0.65 C ATOM 728 CE2 PHE B 1 93.509 -8.499 21.828 1.00 0.76 C ATOM 729 CZ PHE B 1 93.087 -8.139 23.120 1.00 0.47 C ATOM 0 H1 PHE B 1 95.604 -10.774 22.997 1.00 0.63 H new ATOM 0 H2 PHE B 1 96.644 -11.790 23.873 1.00 0.63 H new ATOM 0 H3 PHE B 1 96.701 -11.776 22.176 1.00 0.63 H new ATOM 0 HA PHE B 1 94.732 -13.032 23.972 1.00 0.34 H new ATOM 0 HB2 PHE B 1 94.030 -12.415 21.097 1.00 0.54 H new ATOM 0 HB3 PHE B 1 92.974 -12.913 22.404 1.00 0.54 H new ATOM 0 HD1 PHE B 1 93.013 -11.240 24.553 1.00 0.64 H new ATOM 0 HD2 PHE B 1 94.082 -10.125 20.523 1.00 0.77 H new ATOM 0 HE1 PHE B 1 92.587 -8.850 25.097 1.00 0.65 H new ATOM 0 HE2 PHE B 1 93.646 -7.738 21.074 1.00 0.76 H new ATOM 0 HZ PHE B 1 92.899 -7.102 23.357 1.00 0.47 H new ATOM 741 N LEU B 2 96.191 -14.909 23.126 1.00 0.31 N ATOM 742 CA LEU B 2 96.846 -16.148 22.597 1.00 0.37 C ATOM 743 C LEU B 2 95.948 -17.369 22.782 1.00 0.41 C ATOM 744 O LEU B 2 95.241 -17.502 23.753 1.00 0.35 O ATOM 745 CB LEU B 2 98.167 -16.386 23.343 1.00 0.38 C ATOM 746 CG LEU B 2 99.084 -15.158 23.229 1.00 0.38 C ATOM 747 CD1 LEU B 2 100.314 -15.368 24.117 1.00 0.46 C ATOM 748 CD2 LEU B 2 99.545 -14.969 21.778 1.00 0.47 C ATOM 0 H LEU B 2 96.190 -14.828 24.143 1.00 0.31 H new ATOM 0 HA LEU B 2 97.029 -16.007 21.532 1.00 0.37 H new ATOM 0 HB2 LEU B 2 97.964 -16.599 24.393 1.00 0.38 H new ATOM 0 HB3 LEU B 2 98.670 -17.261 22.932 1.00 0.38 H new ATOM 0 HG LEU B 2 98.532 -14.273 23.547 1.00 0.38 H new ATOM 0 HD11 LEU B 2 100.970 -14.501 24.041 1.00 0.46 H new ATOM 0 HD12 LEU B 2 99.998 -15.495 25.152 1.00 0.46 H new ATOM 0 HD13 LEU B 2 100.851 -16.258 23.790 1.00 0.46 H new ATOM 0 HD21 LEU B 2 100.194 -14.095 21.713 1.00 0.47 H new ATOM 0 HD22 LEU B 2 100.093 -15.853 21.452 1.00 0.47 H new ATOM 0 HD23 LEU B 2 98.676 -14.824 21.136 1.00 0.47 H new ATOM 760 N ASP B 3 95.998 -18.280 21.858 1.00 0.52 N ATOM 761 CA ASP B 3 95.175 -19.511 21.987 1.00 0.58 C ATOM 762 C ASP B 3 95.595 -20.226 23.271 1.00 0.53 C ATOM 763 O ASP B 3 94.775 -20.749 23.999 1.00 0.50 O ATOM 764 CB ASP B 3 95.409 -20.424 20.777 1.00 0.73 C ATOM 765 CG ASP B 3 94.616 -19.901 19.576 1.00 1.39 C ATOM 766 OD1 ASP B 3 93.523 -19.400 19.785 1.00 1.97 O ATOM 767 OD2 ASP B 3 95.111 -20.018 18.468 1.00 2.16 O ATOM 0 H ASP B 3 96.573 -18.227 21.017 1.00 0.52 H new ATOM 0 HA ASP B 3 94.116 -19.257 22.026 1.00 0.58 H new ATOM 0 HB2 ASP B 3 96.471 -20.460 20.536 1.00 0.73 H new ATOM 0 HB3 ASP B 3 95.101 -21.443 21.013 1.00 0.73 H new ATOM 772 N GLY B 4 96.870 -20.237 23.562 1.00 0.54 N ATOM 773 CA GLY B 4 97.351 -20.898 24.811 1.00 0.55 C ATOM 774 C GLY B 4 96.461 -20.470 25.985 1.00 0.42 C ATOM 775 O GLY B 4 96.453 -21.084 27.029 1.00 0.41 O ATOM 0 H GLY B 4 97.600 -19.816 22.987 1.00 0.54 H new ATOM 0 HA2 GLY B 4 97.325 -21.982 24.696 1.00 0.55 H new ATOM 0 HA3 GLY B 4 98.388 -20.623 25.006 1.00 0.55 H new ATOM 779 N ILE B 5 95.697 -19.429 25.809 1.00 0.35 N ATOM 780 CA ILE B 5 94.788 -18.975 26.899 1.00 0.26 C ATOM 781 C ILE B 5 93.816 -20.119 27.225 1.00 0.27 C ATOM 782 O ILE B 5 93.516 -20.377 28.374 1.00 0.25 O ATOM 783 CB ILE B 5 94.057 -17.696 26.436 1.00 0.24 C ATOM 784 CG1 ILE B 5 95.083 -16.553 26.379 1.00 0.22 C ATOM 785 CG2 ILE B 5 92.900 -17.311 27.396 1.00 0.26 C ATOM 786 CD1 ILE B 5 94.480 -15.348 25.650 1.00 0.25 C ATOM 0 H ILE B 5 95.662 -18.871 24.956 1.00 0.35 H new ATOM 0 HA ILE B 5 95.338 -18.730 27.807 1.00 0.26 H new ATOM 0 HB ILE B 5 93.617 -17.878 25.455 1.00 0.24 H new ATOM 0 HG12 ILE B 5 95.379 -16.268 27.388 1.00 0.22 H new ATOM 0 HG13 ILE B 5 95.984 -16.887 25.865 1.00 0.22 H new ATOM 0 HG21 ILE B 5 92.412 -16.406 27.034 1.00 0.26 H new ATOM 0 HG22 ILE B 5 92.174 -18.123 27.435 1.00 0.26 H new ATOM 0 HG23 ILE B 5 93.300 -17.133 28.394 1.00 0.26 H new ATOM 0 HD11 ILE B 5 95.212 -14.541 25.613 1.00 0.25 H new ATOM 0 HD12 ILE B 5 94.206 -15.636 24.635 1.00 0.25 H new ATOM 0 HD13 ILE B 5 93.592 -15.008 26.182 1.00 0.25 H new ATOM 798 N ASP B 6 93.338 -20.814 26.230 1.00 0.34 N ATOM 799 CA ASP B 6 92.402 -21.950 26.491 1.00 0.38 C ATOM 800 C ASP B 6 93.127 -22.963 27.387 1.00 0.37 C ATOM 801 O ASP B 6 92.561 -23.544 28.291 1.00 0.37 O ATOM 802 CB ASP B 6 92.032 -22.612 25.137 1.00 0.47 C ATOM 803 CG ASP B 6 90.552 -22.387 24.802 1.00 1.28 C ATOM 804 OD1 ASP B 6 90.046 -21.324 25.119 1.00 1.93 O ATOM 805 OD2 ASP B 6 89.954 -23.285 24.232 1.00 2.05 O ATOM 0 H ASP B 6 93.553 -20.647 25.247 1.00 0.34 H new ATOM 0 HA ASP B 6 91.492 -21.604 26.981 1.00 0.38 H new ATOM 0 HB2 ASP B 6 92.655 -22.199 24.344 1.00 0.47 H new ATOM 0 HB3 ASP B 6 92.240 -23.681 25.182 1.00 0.47 H new ATOM 810 N LYS B 7 94.381 -23.163 27.117 1.00 0.37 N ATOM 811 CA LYS B 7 95.204 -24.121 27.903 1.00 0.37 C ATOM 812 C LYS B 7 95.286 -23.649 29.361 1.00 0.32 C ATOM 813 O LYS B 7 95.227 -24.433 30.288 1.00 0.33 O ATOM 814 CB LYS B 7 96.601 -24.103 27.278 1.00 0.40 C ATOM 815 CG LYS B 7 97.422 -25.327 27.681 1.00 1.01 C ATOM 816 CD LYS B 7 98.900 -25.106 27.252 1.00 1.12 C ATOM 817 CE LYS B 7 99.519 -26.398 26.689 1.00 1.83 C ATOM 818 NZ LYS B 7 98.932 -27.586 27.367 1.00 2.42 N ATOM 0 H LYS B 7 94.885 -22.692 26.366 1.00 0.37 H new ATOM 0 HA LYS B 7 94.775 -25.123 27.889 1.00 0.37 H new ATOM 0 HB2 LYS B 7 96.512 -24.067 26.192 1.00 0.40 H new ATOM 0 HB3 LYS B 7 97.124 -23.198 27.585 1.00 0.40 H new ATOM 0 HG2 LYS B 7 97.362 -25.483 28.758 1.00 1.01 H new ATOM 0 HG3 LYS B 7 97.022 -26.223 27.206 1.00 1.01 H new ATOM 0 HD2 LYS B 7 98.948 -24.319 26.499 1.00 1.12 H new ATOM 0 HD3 LYS B 7 99.482 -24.765 28.108 1.00 1.12 H new ATOM 0 HE2 LYS B 7 99.341 -26.458 25.615 1.00 1.83 H new ATOM 0 HE3 LYS B 7 100.599 -26.385 26.832 1.00 1.83 H new ATOM 0 HZ1 LYS B 7 99.616 -28.370 27.348 1.00 2.42 H new ATOM 0 HZ2 LYS B 7 98.707 -27.347 28.354 1.00 2.42 H new ATOM 0 HZ3 LYS B 7 98.063 -27.873 26.874 1.00 2.42 H new ATOM 832 N ALA B 8 95.426 -22.367 29.559 1.00 0.28 N ATOM 833 CA ALA B 8 95.521 -21.814 30.940 1.00 0.25 C ATOM 834 C ALA B 8 94.239 -22.117 31.723 1.00 0.26 C ATOM 835 O ALA B 8 94.275 -22.356 32.914 1.00 0.29 O ATOM 836 CB ALA B 8 95.735 -20.302 30.859 1.00 0.24 C ATOM 0 H ALA B 8 95.479 -21.672 28.815 1.00 0.28 H new ATOM 0 HA ALA B 8 96.361 -22.278 31.457 1.00 0.25 H new ATOM 0 HB1 ALA B 8 95.805 -19.890 31.866 1.00 0.24 H new ATOM 0 HB2 ALA B 8 96.657 -20.094 30.316 1.00 0.24 H new ATOM 0 HB3 ALA B 8 94.895 -19.843 30.337 1.00 0.24 H new ATOM 842 N GLN B 9 93.106 -22.103 31.074 1.00 0.28 N ATOM 843 CA GLN B 9 91.836 -22.383 31.804 1.00 0.33 C ATOM 844 C GLN B 9 91.911 -23.783 32.411 1.00 0.37 C ATOM 845 O GLN B 9 91.471 -24.021 33.518 1.00 0.40 O ATOM 846 CB GLN B 9 90.660 -22.343 30.823 1.00 0.37 C ATOM 847 CG GLN B 9 90.410 -20.909 30.356 1.00 0.37 C ATOM 848 CD GLN B 9 89.335 -20.915 29.267 1.00 0.52 C ATOM 849 OE1 GLN B 9 88.962 -21.960 28.772 1.00 1.03 O ATOM 850 NE2 GLN B 9 88.820 -19.785 28.867 1.00 0.97 N ATOM 0 H GLN B 9 93.005 -21.911 30.077 1.00 0.28 H new ATOM 0 HA GLN B 9 91.694 -21.635 32.584 1.00 0.33 H new ATOM 0 HB2 GLN B 9 90.871 -22.981 29.965 1.00 0.37 H new ATOM 0 HB3 GLN B 9 89.764 -22.739 31.302 1.00 0.37 H new ATOM 0 HG2 GLN B 9 90.091 -20.291 31.195 1.00 0.37 H new ATOM 0 HG3 GLN B 9 91.332 -20.473 29.971 1.00 0.37 H new ATOM 0 HE21 GLN B 9 89.132 -18.907 29.282 1.00 0.97 H new ATOM 0 HE22 GLN B 9 88.105 -19.780 28.140 1.00 0.97 H new ATOM 859 N GLU B 10 92.462 -24.709 31.680 1.00 0.39 N ATOM 860 CA GLU B 10 92.573 -26.107 32.182 1.00 0.45 C ATOM 861 C GLU B 10 93.432 -26.142 33.454 1.00 0.44 C ATOM 862 O GLU B 10 93.149 -26.871 34.384 1.00 0.48 O ATOM 863 CB GLU B 10 93.214 -26.978 31.071 1.00 0.49 C ATOM 864 CG GLU B 10 92.290 -28.141 30.691 1.00 1.33 C ATOM 865 CD GLU B 10 92.970 -29.000 29.624 1.00 1.76 C ATOM 866 OE1 GLU B 10 93.472 -28.433 28.668 1.00 2.14 O ATOM 867 OE2 GLU B 10 92.980 -30.209 29.783 1.00 2.43 O ATOM 0 H GLU B 10 92.844 -24.556 30.747 1.00 0.39 H new ATOM 0 HA GLU B 10 91.585 -26.496 32.429 1.00 0.45 H new ATOM 0 HB2 GLU B 10 93.415 -26.365 30.192 1.00 0.49 H new ATOM 0 HB3 GLU B 10 94.173 -27.366 31.415 1.00 0.49 H new ATOM 0 HG2 GLU B 10 92.065 -28.744 31.571 1.00 1.33 H new ATOM 0 HG3 GLU B 10 91.341 -27.759 30.316 1.00 1.33 H new ATOM 874 N GLU B 11 94.491 -25.377 33.492 1.00 0.40 N ATOM 875 CA GLU B 11 95.385 -25.386 34.690 1.00 0.43 C ATOM 876 C GLU B 11 95.014 -24.243 35.638 1.00 0.39 C ATOM 877 O GLU B 11 95.682 -24.007 36.625 1.00 0.40 O ATOM 878 CB GLU B 11 96.839 -25.238 34.235 1.00 0.47 C ATOM 879 CG GLU B 11 97.213 -26.442 33.367 1.00 0.64 C ATOM 880 CD GLU B 11 98.688 -26.361 32.973 1.00 1.34 C ATOM 881 OE1 GLU B 11 99.422 -25.653 33.641 1.00 1.98 O ATOM 882 OE2 GLU B 11 99.062 -27.019 32.016 1.00 2.09 O ATOM 0 H GLU B 11 94.777 -24.745 32.744 1.00 0.40 H new ATOM 0 HA GLU B 11 95.263 -26.329 35.222 1.00 0.43 H new ATOM 0 HB2 GLU B 11 96.965 -24.314 33.671 1.00 0.47 H new ATOM 0 HB3 GLU B 11 97.500 -25.177 35.100 1.00 0.47 H new ATOM 0 HG2 GLU B 11 97.023 -27.367 33.912 1.00 0.64 H new ATOM 0 HG3 GLU B 11 96.590 -26.465 32.473 1.00 0.64 H new ATOM 889 N CYS B 12 93.946 -23.541 35.364 1.00 0.37 N ATOM 890 CA CYS B 12 93.538 -22.434 36.276 1.00 0.35 C ATOM 891 C CYS B 12 93.492 -22.976 37.706 1.00 0.39 C ATOM 892 O CYS B 12 93.937 -22.340 38.641 1.00 0.38 O ATOM 893 CB CYS B 12 92.152 -21.924 35.877 1.00 0.38 C ATOM 894 SG CYS B 12 91.660 -20.580 36.986 1.00 0.38 S ATOM 0 H CYS B 12 93.343 -23.685 34.554 1.00 0.37 H new ATOM 0 HA CYS B 12 94.251 -21.612 36.209 1.00 0.35 H new ATOM 0 HB2 CYS B 12 92.166 -21.572 34.846 1.00 0.38 H new ATOM 0 HB3 CYS B 12 91.426 -22.735 35.927 1.00 0.38 H new ATOM 899 N GLU B 13 92.970 -24.162 37.872 1.00 0.44 N ATOM 900 CA GLU B 13 92.904 -24.778 39.228 1.00 0.50 C ATOM 901 C GLU B 13 94.325 -24.917 39.778 1.00 0.48 C ATOM 902 O GLU B 13 94.554 -24.798 40.959 1.00 0.51 O ATOM 903 CB GLU B 13 92.255 -26.179 39.126 1.00 0.58 C ATOM 904 CG GLU B 13 90.797 -26.141 39.593 1.00 1.19 C ATOM 905 CD GLU B 13 90.232 -27.562 39.580 1.00 1.50 C ATOM 906 OE1 GLU B 13 90.844 -28.414 38.956 1.00 2.10 O ATOM 907 OE2 GLU B 13 89.205 -27.778 40.202 1.00 2.00 O ATOM 0 H GLU B 13 92.584 -24.734 37.121 1.00 0.44 H new ATOM 0 HA GLU B 13 92.308 -24.151 39.891 1.00 0.50 H new ATOM 0 HB2 GLU B 13 92.302 -26.532 38.096 1.00 0.58 H new ATOM 0 HB3 GLU B 13 92.817 -26.890 39.732 1.00 0.58 H new ATOM 0 HG2 GLU B 13 90.734 -25.720 40.597 1.00 1.19 H new ATOM 0 HG3 GLU B 13 90.209 -25.496 38.940 1.00 1.19 H new ATOM 914 N LYS B 14 95.264 -25.209 38.928 1.00 0.47 N ATOM 915 CA LYS B 14 96.666 -25.401 39.387 1.00 0.48 C ATOM 916 C LYS B 14 97.227 -24.090 39.944 1.00 0.45 C ATOM 917 O LYS B 14 97.940 -24.080 40.928 1.00 0.48 O ATOM 918 CB LYS B 14 97.509 -25.877 38.201 1.00 0.50 C ATOM 919 CG LYS B 14 98.824 -26.490 38.701 1.00 0.99 C ATOM 920 CD LYS B 14 99.546 -27.193 37.533 1.00 1.33 C ATOM 921 CE LYS B 14 100.600 -28.189 38.056 1.00 1.83 C ATOM 922 NZ LYS B 14 101.898 -27.487 38.247 1.00 2.47 N ATOM 0 H LYS B 14 95.120 -25.324 37.925 1.00 0.47 H new ATOM 0 HA LYS B 14 96.694 -26.146 40.182 1.00 0.48 H new ATOM 0 HB2 LYS B 14 96.952 -26.614 37.622 1.00 0.50 H new ATOM 0 HB3 LYS B 14 97.719 -25.040 37.535 1.00 0.50 H new ATOM 0 HG2 LYS B 14 99.462 -25.713 39.121 1.00 0.99 H new ATOM 0 HG3 LYS B 14 98.623 -27.204 39.500 1.00 0.99 H new ATOM 0 HD2 LYS B 14 98.819 -27.719 36.915 1.00 1.33 H new ATOM 0 HD3 LYS B 14 100.027 -26.449 36.897 1.00 1.33 H new ATOM 0 HE2 LYS B 14 100.268 -28.624 38.999 1.00 1.83 H new ATOM 0 HE3 LYS B 14 100.720 -29.011 37.350 1.00 1.83 H new ATOM 0 HZ1 LYS B 14 102.608 -28.160 38.600 1.00 2.47 H new ATOM 0 HZ2 LYS B 14 102.216 -27.092 37.339 1.00 2.47 H new ATOM 0 HZ3 LYS B 14 101.778 -26.717 38.936 1.00 2.47 H new ATOM 936 N TYR B 15 96.920 -22.983 39.324 1.00 0.40 N ATOM 937 CA TYR B 15 97.449 -21.680 39.822 1.00 0.40 C ATOM 938 C TYR B 15 96.527 -21.137 40.917 1.00 0.40 C ATOM 939 O TYR B 15 96.871 -20.212 41.625 1.00 0.42 O ATOM 940 CB TYR B 15 97.517 -20.688 38.661 1.00 0.38 C ATOM 941 CG TYR B 15 98.518 -21.184 37.645 1.00 0.41 C ATOM 942 CD1 TYR B 15 99.890 -20.950 37.846 1.00 0.47 C ATOM 943 CD2 TYR B 15 98.083 -21.883 36.503 1.00 0.44 C ATOM 944 CE1 TYR B 15 100.830 -21.411 36.906 1.00 0.53 C ATOM 945 CE2 TYR B 15 99.023 -22.346 35.561 1.00 0.50 C ATOM 946 CZ TYR B 15 100.397 -22.109 35.762 1.00 0.53 C ATOM 947 OH TYR B 15 101.318 -22.562 34.840 1.00 0.61 O ATOM 0 H TYR B 15 96.327 -22.924 38.496 1.00 0.40 H new ATOM 0 HA TYR B 15 98.447 -21.822 40.236 1.00 0.40 H new ATOM 0 HB2 TYR B 15 96.535 -20.581 38.200 1.00 0.38 H new ATOM 0 HB3 TYR B 15 97.808 -19.703 39.025 1.00 0.38 H new ATOM 0 HD1 TYR B 15 100.223 -20.415 38.723 1.00 0.47 H new ATOM 0 HD2 TYR B 15 97.029 -22.064 36.349 1.00 0.44 H new ATOM 0 HE1 TYR B 15 101.883 -21.230 37.062 1.00 0.53 H new ATOM 0 HE2 TYR B 15 98.690 -22.883 34.685 1.00 0.50 H new ATOM 0 HH TYR B 15 102.222 -22.329 35.139 1.00 0.61 H new ATOM 957 N HIS B 16 95.363 -21.712 41.066 1.00 0.43 N ATOM 958 CA HIS B 16 94.418 -21.246 42.125 1.00 0.47 C ATOM 959 C HIS B 16 94.104 -19.761 41.927 1.00 0.46 C ATOM 960 O HIS B 16 93.835 -19.307 40.833 1.00 0.45 O ATOM 961 CB HIS B 16 95.035 -21.450 43.517 1.00 0.51 C ATOM 962 CG HIS B 16 95.499 -22.871 43.680 1.00 0.60 C ATOM 963 ND1 HIS B 16 95.790 -23.685 42.599 1.00 1.28 N ATOM 964 CD2 HIS B 16 95.730 -23.636 44.798 1.00 1.29 C ATOM 965 CE1 HIS B 16 96.173 -24.882 43.081 1.00 1.07 C ATOM 966 NE2 HIS B 16 96.154 -24.902 44.414 1.00 1.01 N ATOM 0 H HIS B 16 95.024 -22.488 40.497 1.00 0.43 H new ATOM 0 HA HIS B 16 93.500 -21.828 42.050 1.00 0.47 H new ATOM 0 HB2 HIS B 16 95.875 -20.768 43.653 1.00 0.51 H new ATOM 0 HB3 HIS B 16 94.301 -21.210 44.286 1.00 0.51 H new ATOM 0 HD2 HIS B 16 95.602 -23.304 45.818 1.00 1.29 H new ATOM 0 HE1 HIS B 16 96.460 -25.721 42.465 1.00 1.07 H new ATOM 0 HE2 HIS B 16 96.399 -25.682 45.023 1.00 1.01 H new ATOM 975 N SER B 17 94.134 -19.007 42.994 1.00 0.49 N ATOM 976 CA SER B 17 93.839 -17.550 42.910 1.00 0.52 C ATOM 977 C SER B 17 95.112 -16.787 42.518 1.00 0.48 C ATOM 978 O SER B 17 95.090 -15.586 42.334 1.00 0.50 O ATOM 979 CB SER B 17 93.328 -17.074 44.281 1.00 0.61 C ATOM 980 OG SER B 17 91.916 -16.933 44.228 1.00 1.44 O ATOM 0 H SER B 17 94.353 -19.345 43.931 1.00 0.49 H new ATOM 0 HA SER B 17 93.078 -17.362 42.153 1.00 0.52 H new ATOM 0 HB2 SER B 17 93.605 -17.790 45.055 1.00 0.61 H new ATOM 0 HB3 SER B 17 93.791 -16.123 44.545 1.00 0.61 H new ATOM 0 HG SER B 17 91.584 -16.632 45.100 1.00 1.44 H new ATOM 986 N ASN B 18 96.221 -17.465 42.401 1.00 0.45 N ATOM 987 CA ASN B 18 97.483 -16.759 42.035 1.00 0.45 C ATOM 988 C ASN B 18 97.523 -16.520 40.526 1.00 0.38 C ATOM 989 O ASN B 18 98.223 -17.196 39.798 1.00 0.36 O ATOM 990 CB ASN B 18 98.685 -17.613 42.441 1.00 0.48 C ATOM 991 CG ASN B 18 98.800 -17.645 43.965 1.00 0.57 C ATOM 992 OD1 ASN B 18 98.262 -16.794 44.645 1.00 0.68 O ATOM 993 ND2 ASN B 18 99.488 -18.596 44.533 1.00 0.66 N ATOM 0 H ASN B 18 96.309 -18.471 42.542 1.00 0.45 H new ATOM 0 HA ASN B 18 97.520 -15.802 42.556 1.00 0.45 H new ATOM 0 HB2 ASN B 18 98.572 -18.625 42.053 1.00 0.48 H new ATOM 0 HB3 ASN B 18 99.597 -17.205 42.006 1.00 0.48 H new ATOM 0 HD21 ASN B 18 99.575 -18.626 45.549 1.00 0.66 H new ATOM 0 HD22 ASN B 18 99.939 -19.310 43.961 1.00 0.66 H new ATOM 1000 N TRP B 19 96.785 -15.555 40.052 1.00 0.36 N ATOM 1001 CA TRP B 19 96.790 -15.263 38.593 1.00 0.32 C ATOM 1002 C TRP B 19 98.138 -14.658 38.198 1.00 0.32 C ATOM 1003 O TRP B 19 98.572 -14.767 37.069 1.00 0.31 O ATOM 1004 CB TRP B 19 95.667 -14.277 38.264 1.00 0.33 C ATOM 1005 CG TRP B 19 95.852 -13.014 39.044 1.00 0.38 C ATOM 1006 CD1 TRP B 19 95.320 -12.773 40.266 1.00 0.46 C ATOM 1007 CD2 TRP B 19 96.608 -11.820 38.684 1.00 0.38 C ATOM 1008 NE1 TRP B 19 95.692 -11.505 40.677 1.00 0.51 N ATOM 1009 CE2 TRP B 19 96.487 -10.876 39.740 1.00 0.46 C ATOM 1010 CE3 TRP B 19 97.379 -11.462 37.553 1.00 0.35 C ATOM 1011 CZ2 TRP B 19 97.110 -9.621 39.677 1.00 0.51 C ATOM 1012 CZ3 TRP B 19 98.008 -10.200 37.486 1.00 0.41 C ATOM 1013 CH2 TRP B 19 97.872 -9.282 38.547 1.00 0.48 C ATOM 0 H TRP B 19 96.179 -14.956 40.613 1.00 0.36 H new ATOM 0 HA TRP B 19 96.632 -16.187 38.037 1.00 0.32 H new ATOM 0 HB2 TRP B 19 95.665 -14.058 37.196 1.00 0.33 H new ATOM 0 HB3 TRP B 19 94.700 -14.722 38.500 1.00 0.33 H new ATOM 0 HD1 TRP B 19 94.705 -13.459 40.829 1.00 0.46 H new ATOM 0 HE1 TRP B 19 95.413 -11.086 41.564 1.00 0.51 H new ATOM 0 HE3 TRP B 19 97.487 -12.159 36.735 1.00 0.35 H new ATOM 0 HZ2 TRP B 19 97.004 -8.920 40.492 1.00 0.51 H new ATOM 0 HZ3 TRP B 19 98.595 -9.937 36.619 1.00 0.41 H new ATOM 0 HH2 TRP B 19 98.354 -8.317 38.491 1.00 0.48 H new ATOM 1024 N ARG B 20 98.801 -14.015 39.120 1.00 0.37 N ATOM 1025 CA ARG B 20 100.118 -13.396 38.798 1.00 0.41 C ATOM 1026 C ARG B 20 101.105 -14.464 38.331 1.00 0.41 C ATOM 1027 O ARG B 20 101.863 -14.258 37.404 1.00 0.42 O ATOM 1028 CB ARG B 20 100.677 -12.712 40.042 1.00 0.49 C ATOM 1029 CG ARG B 20 99.840 -11.475 40.363 1.00 0.55 C ATOM 1030 CD ARG B 20 100.437 -10.760 41.573 1.00 0.79 C ATOM 1031 NE ARG B 20 99.621 -9.555 41.884 1.00 0.93 N ATOM 1032 CZ ARG B 20 99.783 -8.933 43.018 1.00 1.39 C ATOM 1033 NH1 ARG B 20 100.656 -9.372 43.882 1.00 1.74 N ATOM 1034 NH2 ARG B 20 99.073 -7.872 43.287 1.00 1.70 N ATOM 0 H ARG B 20 98.487 -13.892 40.083 1.00 0.37 H new ATOM 0 HA ARG B 20 99.977 -12.665 38.002 1.00 0.41 H new ATOM 0 HB2 ARG B 20 100.664 -13.402 40.886 1.00 0.49 H new ATOM 0 HB3 ARG B 20 101.717 -12.428 39.878 1.00 0.49 H new ATOM 0 HG2 ARG B 20 99.818 -10.804 39.504 1.00 0.55 H new ATOM 0 HG3 ARG B 20 98.809 -11.763 40.569 1.00 0.55 H new ATOM 0 HD2 ARG B 20 100.458 -11.431 42.432 1.00 0.79 H new ATOM 0 HD3 ARG B 20 101.468 -10.472 41.368 1.00 0.79 H new ATOM 0 HE ARG B 20 98.935 -9.216 41.210 1.00 0.93 H new ATOM 0 HH11 ARG B 20 101.211 -10.201 43.670 1.00 1.74 H new ATOM 0 HH12 ARG B 20 100.784 -8.886 44.770 1.00 1.74 H new ATOM 0 HH21 ARG B 20 98.391 -7.529 42.610 1.00 1.70 H new ATOM 0 HH22 ARG B 20 99.200 -7.385 44.174 1.00 1.70 H new ATOM 1048 N ALA B 21 101.109 -15.603 38.963 1.00 0.42 N ATOM 1049 CA ALA B 21 102.056 -16.672 38.547 1.00 0.45 C ATOM 1050 C ALA B 21 101.681 -17.148 37.143 1.00 0.41 C ATOM 1051 O ALA B 21 102.529 -17.356 36.298 1.00 0.43 O ATOM 1052 CB ALA B 21 101.969 -17.839 39.531 1.00 0.49 C ATOM 0 H ALA B 21 100.500 -15.839 39.746 1.00 0.42 H new ATOM 0 HA ALA B 21 103.075 -16.286 38.541 1.00 0.45 H new ATOM 0 HB1 ALA B 21 102.662 -18.623 39.227 1.00 0.49 H new ATOM 0 HB2 ALA B 21 102.229 -17.492 40.531 1.00 0.49 H new ATOM 0 HB3 ALA B 21 100.953 -18.235 39.537 1.00 0.49 H new ATOM 1058 N MET B 22 100.411 -17.308 36.883 1.00 0.39 N ATOM 1059 CA MET B 22 99.975 -17.752 35.530 1.00 0.38 C ATOM 1060 C MET B 22 100.392 -16.703 34.496 1.00 0.35 C ATOM 1061 O MET B 22 100.915 -17.021 33.449 1.00 0.34 O ATOM 1062 CB MET B 22 98.454 -17.923 35.524 1.00 0.42 C ATOM 1063 CG MET B 22 97.991 -18.379 34.140 1.00 0.39 C ATOM 1064 SD MET B 22 96.279 -18.964 34.238 1.00 0.85 S ATOM 1065 CE MET B 22 95.539 -17.437 34.866 1.00 0.61 C ATOM 0 H MET B 22 99.657 -17.150 37.551 1.00 0.39 H new ATOM 0 HA MET B 22 100.443 -18.704 35.280 1.00 0.38 H new ATOM 0 HB2 MET B 22 98.158 -18.654 36.276 1.00 0.42 H new ATOM 0 HB3 MET B 22 97.972 -16.982 35.787 1.00 0.42 H new ATOM 0 HG2 MET B 22 98.065 -17.555 33.430 1.00 0.39 H new ATOM 0 HG3 MET B 22 98.638 -19.175 33.772 1.00 0.39 H new ATOM 0 HE1 MET B 22 94.473 -17.429 34.639 1.00 0.61 H new ATOM 0 HE2 MET B 22 95.681 -17.381 35.945 1.00 0.61 H new ATOM 0 HE3 MET B 22 96.017 -16.579 34.392 1.00 0.61 H new ATOM 1075 N ALA B 23 100.182 -15.450 34.791 1.00 0.35 N ATOM 1076 CA ALA B 23 100.580 -14.381 33.832 1.00 0.34 C ATOM 1077 C ALA B 23 102.079 -14.504 33.549 1.00 0.34 C ATOM 1078 O ALA B 23 102.531 -14.330 32.434 1.00 0.35 O ATOM 1079 CB ALA B 23 100.294 -13.012 34.454 1.00 0.37 C ATOM 0 H ALA B 23 99.752 -15.120 35.655 1.00 0.35 H new ATOM 0 HA ALA B 23 100.017 -14.485 32.905 1.00 0.34 H new ATOM 0 HB1 ALA B 23 100.584 -12.227 33.755 1.00 0.37 H new ATOM 0 HB2 ALA B 23 99.230 -12.927 34.674 1.00 0.37 H new ATOM 0 HB3 ALA B 23 100.864 -12.905 35.377 1.00 0.37 H new ATOM 1085 N SER B 24 102.852 -14.798 34.560 1.00 0.36 N ATOM 1086 CA SER B 24 104.325 -14.930 34.374 1.00 0.39 C ATOM 1087 C SER B 24 104.637 -16.142 33.481 1.00 0.39 C ATOM 1088 O SER B 24 105.541 -16.105 32.670 1.00 0.42 O ATOM 1089 CB SER B 24 104.990 -15.086 35.755 1.00 0.43 C ATOM 1090 OG SER B 24 105.742 -13.915 36.042 1.00 1.20 O ATOM 0 H SER B 24 102.523 -14.953 35.513 1.00 0.36 H new ATOM 0 HA SER B 24 104.718 -14.039 33.884 1.00 0.39 H new ATOM 0 HB2 SER B 24 104.232 -15.244 36.522 1.00 0.43 H new ATOM 0 HB3 SER B 24 105.639 -15.962 35.763 1.00 0.43 H new ATOM 0 HG SER B 24 106.167 -14.006 36.920 1.00 1.20 H new ATOM 1096 N ASP B 25 103.909 -17.216 33.628 1.00 0.38 N ATOM 1097 CA ASP B 25 104.189 -18.420 32.788 1.00 0.40 C ATOM 1098 C ASP B 25 103.797 -18.152 31.334 1.00 0.38 C ATOM 1099 O ASP B 25 104.505 -18.524 30.419 1.00 0.41 O ATOM 1100 CB ASP B 25 103.386 -19.624 33.318 1.00 0.42 C ATOM 1101 CG ASP B 25 104.124 -20.301 34.481 1.00 1.10 C ATOM 1102 OD1 ASP B 25 105.270 -19.959 34.719 1.00 1.76 O ATOM 1103 OD2 ASP B 25 103.525 -21.156 35.112 1.00 1.82 O ATOM 0 H ASP B 25 103.137 -17.314 34.288 1.00 0.38 H new ATOM 0 HA ASP B 25 105.255 -18.641 32.837 1.00 0.40 H new ATOM 0 HB2 ASP B 25 102.402 -19.293 33.649 1.00 0.42 H new ATOM 0 HB3 ASP B 25 103.227 -20.343 32.514 1.00 0.42 H new ATOM 1108 N PHE B 26 102.680 -17.517 31.105 1.00 0.35 N ATOM 1109 CA PHE B 26 102.256 -17.242 29.698 1.00 0.35 C ATOM 1110 C PHE B 26 102.701 -15.833 29.292 1.00 0.35 C ATOM 1111 O PHE B 26 102.478 -15.399 28.180 1.00 0.37 O ATOM 1112 CB PHE B 26 100.738 -17.347 29.592 1.00 0.33 C ATOM 1113 CG PHE B 26 100.297 -18.782 29.792 1.00 0.34 C ATOM 1114 CD1 PHE B 26 100.037 -19.271 31.088 1.00 0.37 C ATOM 1115 CD2 PHE B 26 100.131 -19.628 28.676 1.00 0.37 C ATOM 1116 CE1 PHE B 26 99.615 -20.603 31.267 1.00 0.40 C ATOM 1117 CE2 PHE B 26 99.711 -20.958 28.857 1.00 0.40 C ATOM 1118 CZ PHE B 26 99.453 -21.446 30.152 1.00 0.41 C ATOM 0 H PHE B 26 102.044 -17.177 31.826 1.00 0.35 H new ATOM 0 HA PHE B 26 102.717 -17.972 29.033 1.00 0.35 H new ATOM 0 HB2 PHE B 26 100.269 -16.707 30.340 1.00 0.33 H new ATOM 0 HB3 PHE B 26 100.409 -16.991 28.616 1.00 0.33 H new ATOM 0 HD1 PHE B 26 100.161 -18.624 31.944 1.00 0.37 H new ATOM 0 HD2 PHE B 26 100.327 -19.254 27.682 1.00 0.37 H new ATOM 0 HE1 PHE B 26 99.416 -20.977 32.260 1.00 0.40 H new ATOM 0 HE2 PHE B 26 99.586 -21.606 28.002 1.00 0.40 H new ATOM 0 HZ PHE B 26 99.131 -22.468 30.290 1.00 0.41 H new ATOM 1128 N ASN B 27 103.341 -15.124 30.181 1.00 0.36 N ATOM 1129 CA ASN B 27 103.822 -13.750 29.849 1.00 0.38 C ATOM 1130 C ASN B 27 102.679 -12.886 29.306 1.00 0.36 C ATOM 1131 O ASN B 27 102.835 -12.206 28.311 1.00 0.40 O ATOM 1132 CB ASN B 27 104.930 -13.840 28.796 1.00 0.44 C ATOM 1133 CG ASN B 27 106.096 -14.661 29.349 1.00 0.49 C ATOM 1134 OD1 ASN B 27 106.682 -15.458 28.643 1.00 0.74 O ATOM 1135 ND2 ASN B 27 106.460 -14.499 30.592 1.00 0.62 N ATOM 0 H ASN B 27 103.553 -15.438 31.128 1.00 0.36 H new ATOM 0 HA ASN B 27 104.205 -13.289 30.760 1.00 0.38 H new ATOM 0 HB2 ASN B 27 104.545 -14.302 27.887 1.00 0.44 H new ATOM 0 HB3 ASN B 27 105.271 -12.841 28.526 1.00 0.44 H new ATOM 0 HD21 ASN B 27 107.236 -15.041 30.971 1.00 0.62 H new ATOM 0 HD22 ASN B 27 105.968 -13.830 31.184 1.00 0.62 H new ATOM 1142 N LEU B 28 101.538 -12.889 29.957 1.00 0.31 N ATOM 1143 CA LEU B 28 100.385 -12.045 29.486 1.00 0.30 C ATOM 1144 C LEU B 28 100.113 -10.949 30.527 1.00 0.30 C ATOM 1145 O LEU B 28 100.340 -11.147 31.703 1.00 0.43 O ATOM 1146 CB LEU B 28 99.116 -12.902 29.367 1.00 0.30 C ATOM 1147 CG LEU B 28 99.163 -13.834 28.137 1.00 0.32 C ATOM 1148 CD1 LEU B 28 98.072 -14.946 28.275 1.00 0.33 C ATOM 1149 CD2 LEU B 28 98.909 -13.018 26.849 1.00 0.39 C ATOM 0 H LEU B 28 101.353 -13.439 30.796 1.00 0.31 H new ATOM 0 HA LEU B 28 100.637 -11.615 28.517 1.00 0.30 H new ATOM 0 HB2 LEU B 28 98.996 -13.500 30.271 1.00 0.30 H new ATOM 0 HB3 LEU B 28 98.244 -12.252 29.296 1.00 0.30 H new ATOM 0 HG LEU B 28 100.148 -14.298 28.080 1.00 0.32 H new ATOM 0 HD11 LEU B 28 98.109 -15.602 27.405 1.00 0.33 H new ATOM 0 HD12 LEU B 28 98.259 -15.529 29.177 1.00 0.33 H new ATOM 0 HD13 LEU B 28 97.087 -14.483 28.340 1.00 0.33 H new ATOM 0 HD21 LEU B 28 98.944 -13.682 25.985 1.00 0.39 H new ATOM 0 HD22 LEU B 28 97.928 -12.546 26.905 1.00 0.39 H new ATOM 0 HD23 LEU B 28 99.676 -12.250 26.748 1.00 0.39 H new ATOM 1161 N PRO B 29 99.607 -9.808 30.113 1.00 0.28 N ATOM 1162 CA PRO B 29 99.287 -8.704 31.059 1.00 0.29 C ATOM 1163 C PRO B 29 98.071 -9.058 31.942 1.00 0.26 C ATOM 1164 O PRO B 29 97.237 -9.851 31.553 1.00 0.29 O ATOM 1165 CB PRO B 29 98.985 -7.504 30.146 1.00 0.33 C ATOM 1166 CG PRO B 29 98.564 -8.100 28.838 1.00 0.64 C ATOM 1167 CD PRO B 29 99.291 -9.445 28.719 1.00 0.43 C ATOM 0 HA PRO B 29 100.101 -8.502 31.755 1.00 0.29 H new ATOM 0 HB2 PRO B 29 98.197 -6.879 30.566 1.00 0.33 H new ATOM 0 HB3 PRO B 29 99.864 -6.871 30.025 1.00 0.33 H new ATOM 0 HG2 PRO B 29 97.483 -8.239 28.805 1.00 0.64 H new ATOM 0 HG3 PRO B 29 98.827 -7.442 28.009 1.00 0.64 H new ATOM 0 HD2 PRO B 29 98.662 -10.198 28.244 1.00 0.43 H new ATOM 0 HD3 PRO B 29 100.194 -9.358 28.115 1.00 0.43 H new ATOM 1175 N PRO B 30 97.971 -8.485 33.118 1.00 0.27 N ATOM 1176 CA PRO B 30 96.840 -8.764 34.050 1.00 0.26 C ATOM 1177 C PRO B 30 95.467 -8.805 33.354 1.00 0.24 C ATOM 1178 O PRO B 30 94.529 -9.387 33.860 1.00 0.24 O ATOM 1179 CB PRO B 30 96.889 -7.600 35.054 1.00 0.32 C ATOM 1180 CG PRO B 30 98.301 -7.086 35.030 1.00 0.53 C ATOM 1181 CD PRO B 30 98.925 -7.515 33.690 1.00 0.37 C ATOM 0 HA PRO B 30 96.949 -9.748 34.505 1.00 0.26 H new ATOM 0 HB2 PRO B 30 96.184 -6.816 34.776 1.00 0.32 H new ATOM 0 HB3 PRO B 30 96.614 -7.936 36.054 1.00 0.32 H new ATOM 0 HG2 PRO B 30 98.316 -6.001 35.130 1.00 0.53 H new ATOM 0 HG3 PRO B 30 98.871 -7.491 35.866 1.00 0.53 H new ATOM 0 HD2 PRO B 30 99.064 -6.660 33.028 1.00 0.37 H new ATOM 0 HD3 PRO B 30 99.906 -7.966 33.838 1.00 0.37 H new ATOM 1189 N VAL B 31 95.327 -8.170 32.221 1.00 0.24 N ATOM 1190 CA VAL B 31 93.994 -8.162 31.544 1.00 0.24 C ATOM 1191 C VAL B 31 93.561 -9.595 31.219 1.00 0.22 C ATOM 1192 O VAL B 31 92.452 -9.994 31.514 1.00 0.24 O ATOM 1193 CB VAL B 31 94.087 -7.336 30.234 1.00 0.26 C ATOM 1194 CG1 VAL B 31 92.773 -7.471 29.378 1.00 0.29 C ATOM 1195 CG2 VAL B 31 94.395 -5.841 30.583 1.00 0.30 C ATOM 0 H VAL B 31 96.068 -7.661 31.738 1.00 0.24 H new ATOM 0 HA VAL B 31 93.257 -7.712 32.209 1.00 0.24 H new ATOM 0 HB VAL B 31 94.901 -7.728 29.624 1.00 0.26 H new ATOM 0 HG11 VAL B 31 92.870 -6.881 28.467 1.00 0.29 H new ATOM 0 HG12 VAL B 31 92.615 -8.517 29.117 1.00 0.29 H new ATOM 0 HG13 VAL B 31 91.923 -7.109 29.956 1.00 0.29 H new ATOM 0 HG21 VAL B 31 94.461 -5.259 29.664 1.00 0.30 H new ATOM 0 HG22 VAL B 31 93.597 -5.442 31.209 1.00 0.30 H new ATOM 0 HG23 VAL B 31 95.342 -5.780 31.119 1.00 0.30 H new ATOM 1205 N VAL B 32 94.402 -10.365 30.594 1.00 0.20 N ATOM 1206 CA VAL B 32 93.997 -11.752 30.236 1.00 0.20 C ATOM 1207 C VAL B 32 94.014 -12.655 31.465 1.00 0.18 C ATOM 1208 O VAL B 32 93.150 -13.486 31.641 1.00 0.18 O ATOM 1209 CB VAL B 32 94.955 -12.309 29.177 1.00 0.21 C ATOM 1210 CG1 VAL B 32 94.615 -13.798 28.907 1.00 0.26 C ATOM 1211 CG2 VAL B 32 94.851 -11.450 27.878 1.00 0.24 C ATOM 0 H VAL B 32 95.347 -10.098 30.316 1.00 0.20 H new ATOM 0 HA VAL B 32 92.982 -11.726 29.839 1.00 0.20 H new ATOM 0 HB VAL B 32 95.984 -12.257 29.533 1.00 0.21 H new ATOM 0 HG11 VAL B 32 95.295 -14.196 28.154 1.00 0.26 H new ATOM 0 HG12 VAL B 32 94.721 -14.369 29.830 1.00 0.26 H new ATOM 0 HG13 VAL B 32 93.589 -13.878 28.547 1.00 0.26 H new ATOM 0 HG21 VAL B 32 95.532 -11.846 27.125 1.00 0.24 H new ATOM 0 HG22 VAL B 32 93.830 -11.486 27.499 1.00 0.24 H new ATOM 0 HG23 VAL B 32 95.118 -10.417 28.102 1.00 0.24 H new ATOM 1221 N ALA B 33 94.989 -12.515 32.313 1.00 0.18 N ATOM 1222 CA ALA B 33 95.041 -13.394 33.509 1.00 0.18 C ATOM 1223 C ALA B 33 93.776 -13.186 34.336 1.00 0.19 C ATOM 1224 O ALA B 33 93.092 -14.124 34.693 1.00 0.18 O ATOM 1225 CB ALA B 33 96.272 -13.036 34.340 1.00 0.23 C ATOM 0 H ALA B 33 95.746 -11.836 32.232 1.00 0.18 H new ATOM 0 HA ALA B 33 95.104 -14.439 33.204 1.00 0.18 H new ATOM 0 HB1 ALA B 33 96.316 -13.678 35.220 1.00 0.23 H new ATOM 0 HB2 ALA B 33 97.171 -13.180 33.740 1.00 0.23 H new ATOM 0 HB3 ALA B 33 96.209 -11.994 34.654 1.00 0.23 H new ATOM 1231 N LYS B 34 93.450 -11.963 34.625 1.00 0.21 N ATOM 1232 CA LYS B 34 92.217 -11.692 35.409 1.00 0.24 C ATOM 1233 C LYS B 34 91.001 -12.193 34.632 1.00 0.23 C ATOM 1234 O LYS B 34 90.071 -12.734 35.195 1.00 0.24 O ATOM 1235 CB LYS B 34 92.091 -10.193 35.681 1.00 0.29 C ATOM 1236 CG LYS B 34 93.175 -9.776 36.680 1.00 0.32 C ATOM 1237 CD LYS B 34 92.930 -8.345 37.157 1.00 0.91 C ATOM 1238 CE LYS B 34 94.034 -7.950 38.142 1.00 0.81 C ATOM 1239 NZ LYS B 34 93.632 -6.725 38.886 1.00 1.44 N ATOM 0 H LYS B 34 93.983 -11.137 34.353 1.00 0.21 H new ATOM 0 HA LYS B 34 92.271 -12.215 36.364 1.00 0.24 H new ATOM 0 HB2 LYS B 34 92.198 -9.631 34.753 1.00 0.29 H new ATOM 0 HB3 LYS B 34 91.103 -9.964 36.080 1.00 0.29 H new ATOM 0 HG2 LYS B 34 93.176 -10.456 37.532 1.00 0.32 H new ATOM 0 HG3 LYS B 34 94.157 -9.848 36.213 1.00 0.32 H new ATOM 0 HD2 LYS B 34 92.921 -7.662 36.308 1.00 0.91 H new ATOM 0 HD3 LYS B 34 91.954 -8.270 37.636 1.00 0.91 H new ATOM 0 HE2 LYS B 34 94.220 -8.766 38.840 1.00 0.81 H new ATOM 0 HE3 LYS B 34 94.966 -7.771 37.605 1.00 0.81 H new ATOM 0 HZ1 LYS B 34 94.385 -6.461 39.553 1.00 1.44 H new ATOM 0 HZ2 LYS B 34 93.476 -5.946 38.214 1.00 1.44 H new ATOM 0 HZ3 LYS B 34 92.754 -6.910 39.411 1.00 1.44 H new ATOM 1253 N GLU B 35 90.994 -12.007 33.341 1.00 0.23 N ATOM 1254 CA GLU B 35 89.829 -12.464 32.534 1.00 0.25 C ATOM 1255 C GLU B 35 89.658 -13.977 32.692 1.00 0.23 C ATOM 1256 O GLU B 35 88.555 -14.476 32.795 1.00 0.26 O ATOM 1257 CB GLU B 35 90.062 -12.136 31.057 1.00 0.26 C ATOM 1258 CG GLU B 35 88.787 -12.425 30.254 1.00 0.30 C ATOM 1259 CD GLU B 35 88.641 -13.932 30.014 1.00 0.32 C ATOM 1260 OE1 GLU B 35 89.648 -14.621 30.036 1.00 1.02 O ATOM 1261 OE2 GLU B 35 87.521 -14.373 29.814 1.00 1.11 O ATOM 0 H GLU B 35 91.742 -11.560 32.812 1.00 0.23 H new ATOM 0 HA GLU B 35 88.931 -11.954 32.883 1.00 0.25 H new ATOM 0 HB2 GLU B 35 90.342 -11.088 30.947 1.00 0.26 H new ATOM 0 HB3 GLU B 35 90.890 -12.730 30.669 1.00 0.26 H new ATOM 0 HG2 GLU B 35 87.917 -12.049 30.792 1.00 0.30 H new ATOM 0 HG3 GLU B 35 88.823 -11.899 29.300 1.00 0.30 H new ATOM 1268 N ILE B 36 90.736 -14.712 32.714 1.00 0.20 N ATOM 1269 CA ILE B 36 90.623 -16.191 32.868 1.00 0.20 C ATOM 1270 C ILE B 36 89.975 -16.501 34.219 1.00 0.20 C ATOM 1271 O ILE B 36 89.111 -17.348 34.326 1.00 0.24 O ATOM 1272 CB ILE B 36 92.020 -16.810 32.794 1.00 0.18 C ATOM 1273 CG1 ILE B 36 92.566 -16.631 31.370 1.00 0.19 C ATOM 1274 CG2 ILE B 36 91.937 -18.301 33.122 1.00 0.22 C ATOM 1275 CD1 ILE B 36 94.065 -16.977 31.312 1.00 0.20 C ATOM 0 H ILE B 36 91.688 -14.354 32.632 1.00 0.20 H new ATOM 0 HA ILE B 36 90.007 -16.610 32.072 1.00 0.20 H new ATOM 0 HB ILE B 36 92.680 -16.321 33.510 1.00 0.18 H new ATOM 0 HG12 ILE B 36 92.014 -17.270 30.681 1.00 0.19 H new ATOM 0 HG13 ILE B 36 92.413 -15.602 31.043 1.00 0.19 H new ATOM 0 HG21 ILE B 36 92.933 -18.741 33.069 1.00 0.22 H new ATOM 0 HG22 ILE B 36 91.536 -18.431 34.127 1.00 0.22 H new ATOM 0 HG23 ILE B 36 91.283 -18.796 32.404 1.00 0.22 H new ATOM 0 HD11 ILE B 36 94.430 -16.843 30.294 1.00 0.20 H new ATOM 0 HD12 ILE B 36 94.616 -16.320 31.985 1.00 0.20 H new ATOM 0 HD13 ILE B 36 94.211 -18.013 31.616 1.00 0.20 H new ATOM 1287 N VAL B 37 90.367 -15.798 35.246 1.00 0.20 N ATOM 1288 CA VAL B 37 89.756 -16.022 36.586 1.00 0.23 C ATOM 1289 C VAL B 37 88.284 -15.624 36.514 1.00 0.29 C ATOM 1290 O VAL B 37 87.416 -16.267 37.071 1.00 0.31 O ATOM 1291 CB VAL B 37 90.477 -15.142 37.617 1.00 0.27 C ATOM 1292 CG1 VAL B 37 89.697 -15.123 38.948 1.00 0.37 C ATOM 1293 CG2 VAL B 37 91.887 -15.698 37.846 1.00 0.31 C ATOM 0 H VAL B 37 91.087 -15.076 35.214 1.00 0.20 H new ATOM 0 HA VAL B 37 89.846 -17.068 36.878 1.00 0.23 H new ATOM 0 HB VAL B 37 90.538 -14.121 37.240 1.00 0.27 H new ATOM 0 HG11 VAL B 37 90.221 -14.495 39.668 1.00 0.37 H new ATOM 0 HG12 VAL B 37 88.697 -14.723 38.778 1.00 0.37 H new ATOM 0 HG13 VAL B 37 89.621 -16.137 39.339 1.00 0.37 H new ATOM 0 HG21 VAL B 37 92.408 -15.080 38.577 1.00 0.31 H new ATOM 0 HG22 VAL B 37 91.819 -16.720 38.218 1.00 0.31 H new ATOM 0 HG23 VAL B 37 92.438 -15.690 36.906 1.00 0.31 H new ATOM 1303 N ALA B 38 88.012 -14.555 35.826 1.00 0.35 N ATOM 1304 CA ALA B 38 86.616 -14.066 35.687 1.00 0.44 C ATOM 1305 C ALA B 38 85.746 -15.098 34.973 1.00 0.45 C ATOM 1306 O ALA B 38 84.536 -15.030 35.018 1.00 0.51 O ATOM 1307 CB ALA B 38 86.630 -12.792 34.872 1.00 0.52 C ATOM 0 H ALA B 38 88.711 -13.989 35.345 1.00 0.35 H new ATOM 0 HA ALA B 38 86.203 -13.889 36.680 1.00 0.44 H new ATOM 0 HB1 ALA B 38 85.611 -12.420 34.761 1.00 0.52 H new ATOM 0 HB2 ALA B 38 87.237 -12.042 35.379 1.00 0.52 H new ATOM 0 HB3 ALA B 38 87.052 -12.994 33.888 1.00 0.52 H new ATOM 1313 N SER B 39 86.340 -16.047 34.300 1.00 0.43 N ATOM 1314 CA SER B 39 85.522 -17.070 33.582 1.00 0.50 C ATOM 1315 C SER B 39 85.378 -18.291 34.483 1.00 0.47 C ATOM 1316 O SER B 39 84.332 -18.905 34.552 1.00 0.55 O ATOM 1317 CB SER B 39 86.220 -17.461 32.280 1.00 0.57 C ATOM 1318 OG SER B 39 86.206 -16.348 31.394 1.00 0.65 O ATOM 0 H SER B 39 87.350 -16.159 34.216 1.00 0.43 H new ATOM 0 HA SER B 39 84.537 -16.667 33.344 1.00 0.50 H new ATOM 0 HB2 SER B 39 87.246 -17.769 32.481 1.00 0.57 H new ATOM 0 HB3 SER B 39 85.715 -18.312 31.823 1.00 0.57 H new ATOM 0 HG SER B 39 87.125 -16.056 31.221 1.00 0.65 H new ATOM 1324 N CYS B 40 86.409 -18.625 35.206 1.00 0.40 N ATOM 1325 CA CYS B 40 86.312 -19.780 36.136 1.00 0.41 C ATOM 1326 C CYS B 40 85.199 -19.476 37.138 1.00 0.46 C ATOM 1327 O CYS B 40 85.141 -18.401 37.695 1.00 0.49 O ATOM 1328 CB CYS B 40 87.640 -19.956 36.870 1.00 0.36 C ATOM 1329 SG CYS B 40 87.652 -21.547 37.732 1.00 0.47 S ATOM 0 H CYS B 40 87.311 -18.149 35.193 1.00 0.40 H new ATOM 0 HA CYS B 40 86.092 -20.698 35.592 1.00 0.41 H new ATOM 0 HB2 CYS B 40 88.467 -19.909 36.162 1.00 0.36 H new ATOM 0 HB3 CYS B 40 87.783 -19.144 37.583 1.00 0.36 H new ATOM 1334 N ASP B 41 84.301 -20.391 37.358 1.00 0.56 N ATOM 1335 CA ASP B 41 83.184 -20.113 38.307 1.00 0.66 C ATOM 1336 C ASP B 41 83.657 -20.230 39.759 1.00 0.61 C ATOM 1337 O ASP B 41 83.117 -19.597 40.644 1.00 0.66 O ATOM 1338 CB ASP B 41 82.056 -21.117 38.065 1.00 0.82 C ATOM 1339 CG ASP B 41 81.386 -20.819 36.722 1.00 0.92 C ATOM 1340 OD1 ASP B 41 81.565 -19.720 36.224 1.00 1.54 O ATOM 1341 OD2 ASP B 41 80.702 -21.694 36.217 1.00 1.33 O ATOM 0 H ASP B 41 84.289 -21.315 36.926 1.00 0.56 H new ATOM 0 HA ASP B 41 82.830 -19.096 38.137 1.00 0.66 H new ATOM 0 HB2 ASP B 41 82.452 -22.133 38.068 1.00 0.82 H new ATOM 0 HB3 ASP B 41 81.323 -21.058 38.870 1.00 0.82 H new ATOM 1346 N LYS B 42 84.635 -21.050 40.023 1.00 0.56 N ATOM 1347 CA LYS B 42 85.097 -21.211 41.432 1.00 0.56 C ATOM 1348 C LYS B 42 85.949 -20.017 41.871 1.00 0.53 C ATOM 1349 O LYS B 42 85.818 -19.528 42.975 1.00 0.59 O ATOM 1350 CB LYS B 42 85.913 -22.496 41.550 1.00 0.57 C ATOM 1351 CG LYS B 42 85.026 -23.675 41.152 1.00 0.67 C ATOM 1352 CD LYS B 42 85.814 -24.986 41.262 1.00 1.15 C ATOM 1353 CE LYS B 42 84.951 -26.171 40.774 1.00 1.39 C ATOM 1354 NZ LYS B 42 85.026 -27.278 41.767 1.00 2.09 N ATOM 0 H LYS B 42 85.132 -21.612 39.332 1.00 0.56 H new ATOM 0 HA LYS B 42 84.223 -21.263 42.082 1.00 0.56 H new ATOM 0 HB2 LYS B 42 86.790 -22.448 40.905 1.00 0.57 H new ATOM 0 HB3 LYS B 42 86.275 -22.622 42.571 1.00 0.57 H new ATOM 0 HG2 LYS B 42 84.148 -23.714 41.797 1.00 0.67 H new ATOM 0 HG3 LYS B 42 84.667 -23.542 40.132 1.00 0.67 H new ATOM 0 HD2 LYS B 42 86.725 -24.922 40.668 1.00 1.15 H new ATOM 0 HD3 LYS B 42 86.118 -25.150 42.296 1.00 1.15 H new ATOM 0 HE2 LYS B 42 83.916 -25.853 40.645 1.00 1.39 H new ATOM 0 HE3 LYS B 42 85.303 -26.515 39.801 1.00 1.39 H new ATOM 0 HZ1 LYS B 42 84.446 -28.077 41.441 1.00 2.09 H new ATOM 0 HZ2 LYS B 42 86.014 -27.586 41.869 1.00 2.09 H new ATOM 0 HZ3 LYS B 42 84.671 -26.945 42.686 1.00 2.09 H new ATOM 1368 N CYS B 43 86.826 -19.543 41.029 1.00 0.48 N ATOM 1369 CA CYS B 43 87.679 -18.386 41.426 1.00 0.53 C ATOM 1370 C CYS B 43 86.884 -17.083 41.275 1.00 0.62 C ATOM 1371 O CYS B 43 87.307 -16.034 41.718 1.00 0.72 O ATOM 1372 CB CYS B 43 88.936 -18.345 40.557 1.00 0.50 C ATOM 1373 SG CYS B 43 89.903 -19.852 40.830 1.00 0.51 S ATOM 0 H CYS B 43 86.989 -19.904 40.089 1.00 0.48 H new ATOM 0 HA CYS B 43 87.978 -18.498 42.468 1.00 0.53 H new ATOM 0 HB2 CYS B 43 88.662 -18.261 39.505 1.00 0.50 H new ATOM 0 HB3 CYS B 43 89.533 -17.467 40.802 1.00 0.50 H new ATOM 1378 N GLN B 44 85.729 -17.142 40.662 1.00 0.70 N ATOM 1379 CA GLN B 44 84.909 -15.904 40.499 1.00 0.83 C ATOM 1380 C GLN B 44 84.300 -15.539 41.850 1.00 0.70 C ATOM 1381 O GLN B 44 84.624 -14.527 42.440 1.00 0.74 O ATOM 1382 CB GLN B 44 83.772 -16.172 39.497 1.00 1.02 C ATOM 1383 CG GLN B 44 82.863 -14.918 39.323 1.00 1.17 C ATOM 1384 CD GLN B 44 83.126 -14.251 37.969 1.00 0.49 C ATOM 1385 OE1 GLN B 44 83.261 -14.922 36.968 1.00 0.75 O ATOM 1386 NE2 GLN B 44 83.198 -12.950 37.898 1.00 0.71 N ATOM 0 H GLN B 44 85.320 -17.990 40.269 1.00 0.70 H new ATOM 0 HA GLN B 44 85.536 -15.091 40.133 1.00 0.83 H new ATOM 0 HB2 GLN B 44 84.194 -16.455 38.532 1.00 1.02 H new ATOM 0 HB3 GLN B 44 83.172 -17.014 39.842 1.00 1.02 H new ATOM 0 HG2 GLN B 44 81.815 -15.208 39.395 1.00 1.17 H new ATOM 0 HG3 GLN B 44 83.053 -14.208 40.128 1.00 1.17 H new ATOM 0 HE21 GLN B 44 83.084 -12.386 38.740 1.00 0.71 H new ATOM 0 HE22 GLN B 44 83.368 -12.497 37.000 1.00 0.71 H new ATOM 1395 N LEU B 45 83.418 -16.359 42.343 1.00 0.66 N ATOM 1396 CA LEU B 45 82.782 -16.069 43.655 1.00 0.64 C ATOM 1397 C LEU B 45 83.714 -16.539 44.769 1.00 0.69 C ATOM 1398 O LEU B 45 84.411 -17.525 44.633 1.00 0.76 O ATOM 1399 CB LEU B 45 81.453 -16.826 43.761 1.00 0.77 C ATOM 1400 CG LEU B 45 80.516 -16.438 42.602 1.00 0.85 C ATOM 1401 CD1 LEU B 45 79.178 -17.220 42.717 1.00 1.07 C ATOM 1402 CD2 LEU B 45 80.251 -14.917 42.634 1.00 0.79 C ATOM 0 H LEU B 45 83.109 -17.220 41.892 1.00 0.66 H new ATOM 0 HA LEU B 45 82.598 -14.998 43.745 1.00 0.64 H new ATOM 0 HB2 LEU B 45 81.637 -17.900 43.743 1.00 0.77 H new ATOM 0 HB3 LEU B 45 80.975 -16.601 44.714 1.00 0.77 H new ATOM 0 HG LEU B 45 80.990 -16.695 41.655 1.00 0.85 H new ATOM 0 HD11 LEU B 45 78.521 -16.940 41.894 1.00 1.07 H new ATOM 0 HD12 LEU B 45 79.377 -18.291 42.674 1.00 1.07 H new ATOM 0 HD13 LEU B 45 78.696 -16.979 43.664 1.00 1.07 H new ATOM 0 HD21 LEU B 45 79.588 -14.646 41.813 1.00 0.79 H new ATOM 0 HD22 LEU B 45 79.784 -14.649 43.582 1.00 0.79 H new ATOM 0 HD23 LEU B 45 81.194 -14.381 42.530 1.00 0.79 H new ATOM 1414 N LYS B 46 83.728 -15.849 45.874 1.00 0.80 N ATOM 1415 CA LYS B 46 84.610 -16.267 46.998 1.00 0.97 C ATOM 1416 C LYS B 46 83.987 -17.481 47.695 1.00 1.10 C ATOM 1417 O LYS B 46 83.273 -17.351 48.669 1.00 1.60 O ATOM 1418 CB LYS B 46 84.746 -15.106 47.998 1.00 1.19 C ATOM 1419 CG LYS B 46 85.856 -14.148 47.551 1.00 1.72 C ATOM 1420 CD LYS B 46 85.960 -12.993 48.552 1.00 2.16 C ATOM 1421 CE LYS B 46 87.286 -12.253 48.352 1.00 2.88 C ATOM 1422 NZ LYS B 46 87.619 -12.208 46.901 1.00 3.58 N ATOM 0 H LYS B 46 83.168 -15.015 46.048 1.00 0.80 H new ATOM 0 HA LYS B 46 85.597 -16.531 46.619 1.00 0.97 H new ATOM 0 HB2 LYS B 46 83.801 -14.569 48.073 1.00 1.19 H new ATOM 0 HB3 LYS B 46 84.971 -15.496 48.991 1.00 1.19 H new ATOM 0 HG2 LYS B 46 86.807 -14.678 47.489 1.00 1.72 H new ATOM 0 HG3 LYS B 46 85.640 -13.763 46.554 1.00 1.72 H new ATOM 0 HD2 LYS B 46 85.125 -12.306 48.417 1.00 2.16 H new ATOM 0 HD3 LYS B 46 85.896 -13.375 49.571 1.00 2.16 H new ATOM 0 HE2 LYS B 46 87.213 -11.241 48.750 1.00 2.88 H new ATOM 0 HE3 LYS B 46 88.081 -12.756 48.903 1.00 2.88 H new ATOM 0 HZ1 LYS B 46 88.342 -11.479 46.733 1.00 3.58 H new ATOM 0 HZ2 LYS B 46 87.985 -13.134 46.600 1.00 3.58 H new ATOM 0 HZ3 LYS B 46 86.764 -11.980 46.355 1.00 3.58 H new TER 1436 LYS B 46 HETATM 1437 CD CD A 56 79.678 -1.828 35.779 1.00 0.41 CD HETATM 1438 CD CD B 56 90.008 -21.481 38.792 1.00 0.39 CD CONECT 176 1437 CONECT 611 1437 CONECT 655 1437 CONECT 894 1438 CONECT 1329 1438 CONECT 1373 1438 CONECT 1437 176 611 655 CONECT 1438 894 1329 1373 END