USER MOD reduce.3.24.130724 H: found=0, std=0, add=1402, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1400 hydrogens (0 hets) HEADER DNA-BINDING PROTEIN 26-JUL-98 2EZX TITLE SOLUTION STRUCTURE OF HUMAN BARRIER-TO-AUTOINTEGRATION TITLE 2 FACTOR BAF, NMR, REGULARIZED MEAN STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: BARRIER-TO-AUTOINTEGRATION FACTOR; COMPND 3 CHAIN: A, B; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 3 ORGANISM_COMMON: HUMAN; SOURCE 4 ORGANISM_TAXID: 9606; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562 KEYWDS DNA-BINDING PROTEIN, INTEGRATION, AIDS, RETROVIRUSES EXPDTA SOLUTION NMR AUTHOR G.M.CLORE,M.CAI,A.M.GRONENBORN REVDAT 2 24-FEB-09 2EZX 1 VERSN REVDAT 1 13-JAN-99 2EZX 0 JRNL AUTH M.CAI,Y.HUANG,R.ZHENG,S.Q.WEI,R.GHIRLANDO,M.S.LEE, JRNL AUTH 2 R.CRAIGIE,A.M.GRONENBORN,G.M.CLORE JRNL TITL SOLUTION STRUCTURE OF THE CELLULAR FACTOR BAF JRNL TITL 2 RESPONSIBLE FOR PROTECTING RETROVIRAL DNA FROM JRNL TITL 3 AUTOINTEGRATION. JRNL REF NAT.STRUCT.BIOL. V. 5 903 1998 JRNL REFN ISSN 1072-8368 JRNL PMID 9783751 JRNL DOI 10.1038/2345 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 X-PLOR 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, 1H CHEMICAL SHIFT REMARK 3 RESTRAINTS (KUSZEWSKI ET AL. (1995) J.MAGN.RESON. SERIES REMARK 3 B 107, 293-297; (1996) J.MAGN.RESON. SERIES B 112, REMARK 3 79-81), AND A CONFORMATIONAL DATABASE POTENTIAL REMARK 3 (KUSZWESKI ET AL. (1996) PROTEIN SCI. 5, 1067-108 AND REMARK 3 (1997) J.MAGN.RESON. 125, 171-177). REMARK 3 REMARK 3 THE 3D STRUCTURE OF THE 21 KDA BAF DIMER WAS SOLVED BY REMARK 3 MULTI-DIMENSIONAL HETERONUCLEAR-EDITED AND -FILTERED NMR REMARK 3 BASED ON 1655 EXPERIMENTAL RESTRAINTS (PER MONOMER): REMARK 3 (A) INTRASUBUNIT: 288 SEQUENTIAL (|I-J|=1), 267 MEDIUM REMARK 3 RANGE (1 < |I-J| >=5) AND 190 LONG RANGE (|I-J| >5) REMARK 3 INTERRESIDUE, AND 7 INTRARESIDUE APPROXIMATE INTERPROTON REMARK 3 DISTANCE RESTRAINTS; 64 DISTANCE RESTRAINTS FOR 32 REMARK 3 HYDROGEN BONDS; 257 TORSION ANGLE (84 PHI, 78 PSI, 60 CHI1 REMARK 3 29 CHI2 AND 6 CHI3) RESTRAINTS; 66 THREE-BOND HN-HA REMARK 3 COUPLING CONSTANT RESTRAINTS; 165 (87 CALPHA AND 78 CBETA) REMARK 3 13C SHIFT RESTRAINTS; 44 1H METHYL PROTON CHEMICAL SHIFTS; REMARK 3 259 DIPOLAR COUPLINGS (76 N-H, 76 CALPHA-C', 55 N-C' REMARK 3 AND 52 HN-C'). REMARK 3 (B) 48 INTERSUBUNIT INTERPROTON DISTANCE RESTRAINTS. REMARK 3 REMARK 3 RMS DEVIATIONS. REMARK 3 BOND LENGTHS : 0.004931 REMARK 3 BOND ANGLES : 0.543143 REMARK 3 IMPROPER ANGLES : 0.551732 REMARK 3 CDIH : 0.128297 REMARK 3 NOE : 0.022087 REMARK 3 COUP : 0.943946 REMARK 3 13C SHIFTS RMS CA, CB (PPM): 1.04812, 1.20411 REMARK 3 JHNHA RMS (HZ): 0.943946 0 REMARK 3 DIPOLAR COUPLINGS NH CACO NCO HNCO REMARK 3 RMS DIPOLAR (HZ): 0.421677 1.31903 0.483471 1.20095 REMARK 3 1H METHYL SHIFTS: 0.118116 REMARK 3 REMARK 3 THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REGULARIZED REMARK 3 MEAN STRUCTURE AND THE LAST NUMERIC COLUMN REPRESENTS THE REMARK 3 RMS OF THE 40 INDIVIDUAL SIMULATED ANNEALING STRUCTURES REMARK 3 FOUND IN PDB ENTRY 2EZY ABOUT THE MEAN COORDINATE REMARK 3 POSITIONS. THE LAST NUMERIC COLUMN IN THE INDIVIDUAL SA REMARK 3 STRUCTURES HAS NO MEANING. REMARK 4 REMARK 4 2EZX 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) : 313 REMARK 210 PH : 6.5 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 : SEE REMARK 3 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 : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE IN THIS ENTRY IS THE RESTRAINED REMARK 210 REGULARIZED MEAN STRUCTURE. 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 PRO A 14 159.98 -41.59 REMARK 500 PHE A 39 74.47 -105.21 REMARK 500 CYS A 67 -30.02 -131.52 REMARK 500 PRO B 14 159.98 -41.51 REMARK 500 PHE B 39 74.55 -105.26 REMARK 500 CYS B 67 -30.05 -131.58 REMARK 500 REMARK 500 REMARK: NULL DBREF 2EZX A 1 89 UNP O75531 BAF_HUMAN 1 89 DBREF 2EZX B 1 89 UNP O75531 BAF_HUMAN 1 89 SEQRES 1 A 89 MET THR THR SER GLN LYS HIS ARG ASP PHE VAL ALA GLU SEQRES 2 A 89 PRO MET GLY GLU LYS PRO VAL GLY SER LEU ALA GLY ILE SEQRES 3 A 89 GLY GLU VAL LEU GLY LYS LYS LEU GLU GLU ARG GLY PHE SEQRES 4 A 89 ASP LYS ALA TYR VAL VAL LEU GLY GLN PHE LEU VAL LEU SEQRES 5 A 89 LYS LYS ASP GLU ASP LEU PHE ARG GLU TRP LEU LYS ASP SEQRES 6 A 89 THR CYS GLY ALA ASN ALA LYS GLN SER ARG ASP CYS PHE SEQRES 7 A 89 GLY CYS LEU ARG GLU TRP CYS ASP ALA PHE LEU SEQRES 1 B 89 MET THR THR SER GLN LYS HIS ARG ASP PHE VAL ALA GLU SEQRES 2 B 89 PRO MET GLY GLU LYS PRO VAL GLY SER LEU ALA GLY ILE SEQRES 3 B 89 GLY GLU VAL LEU GLY LYS LYS LEU GLU GLU ARG GLY PHE SEQRES 4 B 89 ASP LYS ALA TYR VAL VAL LEU GLY GLN PHE LEU VAL LEU SEQRES 5 B 89 LYS LYS ASP GLU ASP LEU PHE ARG GLU TRP LEU LYS ASP SEQRES 6 B 89 THR CYS GLY ALA ASN ALA LYS GLN SER ARG ASP CYS PHE SEQRES 7 B 89 GLY CYS LEU ARG GLU TRP CYS ASP ALA PHE LEU HELIX 1 1 GLN A 5 ALA A 12 1 8 HELIX 2 2 VAL A 20 SER A 22 5 3 HELIX 3 3 GLU A 28 ARG A 37 1 10 HELIX 4 4 ALA A 42 VAL A 51 1 10 HELIX 5 5 GLU A 56 CYS A 67 1 12 HELIX 6 6 ALA A 71 ALA A 87 1 17 HELIX 7 7 GLN B 5 ALA B 12 1 8 HELIX 8 8 VAL B 20 SER B 22 5 3 HELIX 9 9 GLU B 28 ARG B 37 1 10 HELIX 10 10 ALA B 42 VAL B 51 1 10 HELIX 11 11 GLU B 56 CYS B 67 1 12 HELIX 12 12 ALA B 71 ALA B 87 1 17 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 3 THR OG1 : rot -160:sc= -0.0165 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -0.0093 X(o=-0.026,f=-0.24) USER MOD Set 2.1: A 3 THR OG1 : rot -160:sc= -0.0102 USER MOD Set 2.2: A 7 HIS : no HD1:sc=-0.00577 X(o=-0.016,f=-0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.133 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl -154:sc= -3.87! (180deg=-6.42!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.3) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 112:sc= 0.827 USER MOD Single : A 67 CYS SG : rot -51:sc= 0.348 USER MOD Single : A 70 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.4!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.888 K(o=-0.89,f=-3.6!) USER MOD Single : A 74 SER OG : rot 180:sc= -1.15 USER MOD Single : A 77 CYS SG : rot -24:sc= 0.358 USER MOD Single : A 80 CYS SG : rot -140:sc= -0.0414 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.306 USER MOD Single : B 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 THR OG1 : rot 180:sc= 0.165 USER MOD Single : B 4 SER OG : rot 180:sc= 0 USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 MET CE :methyl -149:sc= -3.92! (180deg=-6.53!) USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.27) USER MOD Single : B 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 66 THR OG1 : rot 87:sc= 0.82 USER MOD Single : B 67 CYS SG : rot -51:sc= 0.131 USER MOD Single : B 70 ASN : amide:sc= -0.189 K(o=-0.19,f=-2.4!) USER MOD Single : B 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 73 GLN : amide:sc= -0.888 K(o=-0.89,f=-3.4!) USER MOD Single : B 74 SER OG : rot 180:sc= -1.08 USER MOD Single : B 77 CYS SG : rot -7:sc= 0.36 USER MOD Single : B 80 CYS SG : rot -140:sc= -0.0413 USER MOD Single : B 85 CYS SG : rot 180:sc= -0.32 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 114.835 -7.354 10.978 1.00 3.75 N ATOM 2 CA MET A 1 115.556 -7.797 12.206 1.00 3.27 C ATOM 3 C MET A 1 116.780 -8.606 11.800 1.00 2.28 C ATOM 4 O MET A 1 117.908 -8.247 12.077 1.00 2.68 O ATOM 5 CB MET A 1 114.638 -8.702 13.043 1.00 3.76 C ATOM 6 CG MET A 1 115.359 -9.186 14.335 1.00 4.33 C ATOM 7 SD MET A 1 114.635 -8.368 15.788 1.00 5.05 S ATOM 8 CE MET A 1 113.858 -9.817 16.551 1.00 5.68 C ATOM 0 H1 MET A 1 113.997 -6.800 11.248 1.00 3.75 H new ATOM 0 H2 MET A 1 115.467 -6.766 10.398 1.00 3.75 H new ATOM 0 H3 MET A 1 114.538 -8.187 10.430 1.00 3.75 H new ATOM 0 HA MET A 1 115.850 -6.922 12.786 1.00 3.27 H new ATOM 0 HB2 MET A 1 113.731 -8.159 13.310 1.00 3.76 H new ATOM 0 HB3 MET A 1 114.331 -9.563 12.449 1.00 3.76 H new ATOM 0 HG2 MET A 1 115.265 -10.268 14.431 1.00 4.33 H new ATOM 0 HG3 MET A 1 116.424 -8.962 14.274 1.00 4.33 H new ATOM 0 HE1 MET A 1 113.354 -9.518 17.470 1.00 5.68 H new ATOM 0 HE2 MET A 1 113.131 -10.245 15.861 1.00 5.68 H new ATOM 0 HE3 MET A 1 114.621 -10.560 16.781 1.00 5.68 H new ATOM 20 N THR A 2 116.548 -9.717 11.173 1.00 1.63 N ATOM 21 CA THR A 2 117.664 -10.601 10.763 1.00 1.44 C ATOM 22 C THR A 2 118.262 -10.111 9.446 1.00 1.17 C ATOM 23 O THR A 2 117.622 -10.135 8.413 1.00 1.22 O ATOM 24 CB THR A 2 117.100 -12.025 10.588 1.00 2.22 C ATOM 25 OG1 THR A 2 115.739 -11.928 10.190 1.00 2.76 O ATOM 26 CG2 THR A 2 117.180 -12.804 11.910 1.00 3.02 C ATOM 0 H THR A 2 115.619 -10.055 10.923 1.00 1.63 H new ATOM 0 HA THR A 2 118.450 -10.594 11.518 1.00 1.44 H new ATOM 0 HB THR A 2 117.686 -12.552 9.835 1.00 2.22 H new ATOM 0 HG1 THR A 2 115.367 -12.827 10.073 1.00 2.76 H new ATOM 0 HG21 THR A 2 116.777 -13.807 11.766 1.00 3.02 H new ATOM 0 HG22 THR A 2 118.220 -12.873 12.229 1.00 3.02 H new ATOM 0 HG23 THR A 2 116.600 -12.286 12.673 1.00 3.02 H new ATOM 34 N THR A 3 119.497 -9.700 9.468 1.00 0.96 N ATOM 35 CA THR A 3 120.136 -9.252 8.210 1.00 0.75 C ATOM 36 C THR A 3 120.110 -10.440 7.251 1.00 0.69 C ATOM 37 O THR A 3 120.215 -11.576 7.668 1.00 0.74 O ATOM 38 CB THR A 3 121.585 -8.828 8.493 1.00 0.68 C ATOM 39 OG1 THR A 3 122.318 -9.956 8.950 1.00 0.79 O ATOM 40 CG2 THR A 3 121.619 -7.727 9.571 1.00 0.75 C ATOM 0 H THR A 3 120.086 -9.656 10.299 1.00 0.96 H new ATOM 0 HA THR A 3 119.612 -8.399 7.780 1.00 0.75 H new ATOM 0 HB THR A 3 122.029 -8.439 7.577 1.00 0.68 H new ATOM 0 HG1 THR A 3 123.121 -9.654 9.424 1.00 0.79 H new ATOM 0 HG21 THR A 3 122.652 -7.436 9.762 1.00 0.75 H new ATOM 0 HG22 THR A 3 121.056 -6.860 9.224 1.00 0.75 H new ATOM 0 HG23 THR A 3 121.173 -8.105 10.491 1.00 0.75 H new ATOM 48 N SER A 4 119.945 -10.211 5.982 1.00 0.63 N ATOM 49 CA SER A 4 119.887 -11.363 5.043 1.00 0.61 C ATOM 50 C SER A 4 121.170 -12.185 5.165 1.00 0.60 C ATOM 51 O SER A 4 122.168 -11.738 5.694 1.00 0.57 O ATOM 52 CB SER A 4 119.726 -10.859 3.609 1.00 0.63 C ATOM 53 OG SER A 4 120.941 -10.262 3.178 1.00 1.51 O ATOM 0 H SER A 4 119.849 -9.289 5.557 1.00 0.63 H new ATOM 0 HA SER A 4 119.032 -11.990 5.294 1.00 0.61 H new ATOM 0 HB2 SER A 4 119.460 -11.685 2.949 1.00 0.63 H new ATOM 0 HB3 SER A 4 118.913 -10.135 3.556 1.00 0.63 H new ATOM 0 HG SER A 4 120.839 -9.940 2.258 1.00 1.51 H new ATOM 59 N GLN A 5 121.129 -13.401 4.694 1.00 0.63 N ATOM 60 CA GLN A 5 122.314 -14.301 4.784 1.00 0.64 C ATOM 61 C GLN A 5 123.532 -13.656 4.129 1.00 0.60 C ATOM 62 O GLN A 5 124.657 -14.024 4.403 1.00 0.59 O ATOM 63 CB GLN A 5 121.999 -15.613 4.065 1.00 0.71 C ATOM 64 CG GLN A 5 120.979 -16.415 4.874 1.00 1.34 C ATOM 65 CD GLN A 5 120.485 -17.596 4.037 1.00 1.60 C ATOM 66 OE1 GLN A 5 119.608 -17.444 3.210 1.00 2.09 O ATOM 67 NE2 GLN A 5 121.017 -18.774 4.213 1.00 2.18 N ATOM 0 H GLN A 5 120.313 -13.815 4.244 1.00 0.63 H new ATOM 0 HA GLN A 5 122.536 -14.485 5.835 1.00 0.64 H new ATOM 0 HB2 GLN A 5 121.606 -15.407 3.069 1.00 0.71 H new ATOM 0 HB3 GLN A 5 122.911 -16.195 3.934 1.00 0.71 H new ATOM 0 HG2 GLN A 5 121.432 -16.774 5.798 1.00 1.34 H new ATOM 0 HG3 GLN A 5 120.140 -15.779 5.156 1.00 1.34 H new ATOM 0 HE21 GLN A 5 121.753 -18.903 4.907 1.00 2.18 H new ATOM 0 HE22 GLN A 5 120.697 -19.567 3.657 1.00 2.18 H new ATOM 76 N LYS A 6 123.330 -12.708 3.258 1.00 0.59 N ATOM 77 CA LYS A 6 124.484 -12.060 2.584 1.00 0.57 C ATOM 78 C LYS A 6 125.357 -11.354 3.617 1.00 0.51 C ATOM 79 O LYS A 6 126.569 -11.374 3.533 1.00 0.50 O ATOM 80 CB LYS A 6 123.962 -11.050 1.568 1.00 0.58 C ATOM 81 CG LYS A 6 123.261 -11.814 0.447 1.00 0.65 C ATOM 82 CD LYS A 6 122.724 -10.836 -0.592 1.00 0.81 C ATOM 83 CE LYS A 6 122.027 -11.621 -1.702 1.00 1.26 C ATOM 84 NZ LYS A 6 121.394 -10.674 -2.659 1.00 2.02 N ATOM 0 H LYS A 6 122.413 -12.355 2.985 1.00 0.59 H new ATOM 0 HA LYS A 6 125.083 -12.815 2.075 1.00 0.57 H new ATOM 0 HB2 LYS A 6 123.270 -10.356 2.044 1.00 0.58 H new ATOM 0 HB3 LYS A 6 124.783 -10.456 1.167 1.00 0.58 H new ATOM 0 HG2 LYS A 6 123.957 -12.509 -0.021 1.00 0.65 H new ATOM 0 HG3 LYS A 6 122.444 -12.408 0.856 1.00 0.65 H new ATOM 0 HD2 LYS A 6 122.025 -10.140 -0.128 1.00 0.81 H new ATOM 0 HD3 LYS A 6 123.539 -10.242 -1.006 1.00 0.81 H new ATOM 0 HE2 LYS A 6 122.747 -12.253 -2.222 1.00 1.26 H new ATOM 0 HE3 LYS A 6 121.272 -12.282 -1.276 1.00 1.26 H new ATOM 0 HZ1 LYS A 6 120.920 -11.209 -3.414 1.00 2.02 H new ATOM 0 HZ2 LYS A 6 120.695 -10.089 -2.158 1.00 2.02 H new ATOM 0 HZ3 LYS A 6 122.124 -10.061 -3.075 1.00 2.02 H new ATOM 98 N HIS A 7 124.762 -10.722 4.587 1.00 0.49 N ATOM 99 CA HIS A 7 125.579 -10.013 5.606 1.00 0.45 C ATOM 100 C HIS A 7 126.570 -10.988 6.241 1.00 0.45 C ATOM 101 O HIS A 7 127.753 -10.726 6.304 1.00 0.43 O ATOM 102 CB HIS A 7 124.655 -9.436 6.687 1.00 0.45 C ATOM 103 CG HIS A 7 125.470 -8.905 7.839 1.00 0.42 C ATOM 104 ND1 HIS A 7 126.046 -7.641 7.825 1.00 0.38 N ATOM 105 CD2 HIS A 7 125.812 -9.458 9.050 1.00 0.45 C ATOM 106 CE1 HIS A 7 126.697 -7.478 8.993 1.00 0.38 C ATOM 107 NE2 HIS A 7 126.584 -8.555 9.771 1.00 0.42 N ATOM 0 H HIS A 7 123.752 -10.666 4.718 1.00 0.49 H new ATOM 0 HA HIS A 7 126.131 -9.203 5.130 1.00 0.45 H new ATOM 0 HB2 HIS A 7 124.044 -8.638 6.265 1.00 0.45 H new ATOM 0 HB3 HIS A 7 123.971 -10.207 7.041 1.00 0.45 H new ATOM 0 HD2 HIS A 7 125.525 -10.442 9.389 1.00 0.45 H new ATOM 0 HE1 HIS A 7 127.242 -6.586 9.265 1.00 0.38 H new ATOM 0 HE2 HIS A 7 126.981 -8.688 10.701 1.00 0.42 H new ATOM 115 N ARG A 8 126.095 -12.113 6.715 1.00 0.48 N ATOM 116 CA ARG A 8 127.002 -13.107 7.352 1.00 0.50 C ATOM 117 C ARG A 8 127.906 -13.759 6.312 1.00 0.51 C ATOM 118 O ARG A 8 129.044 -14.088 6.584 1.00 0.51 O ATOM 119 CB ARG A 8 126.178 -14.197 8.031 1.00 0.55 C ATOM 120 CG ARG A 8 125.400 -13.608 9.219 1.00 0.57 C ATOM 121 CD ARG A 8 125.080 -14.716 10.223 1.00 1.00 C ATOM 122 NE ARG A 8 123.957 -14.280 11.092 1.00 1.69 N ATOM 123 CZ ARG A 8 123.368 -15.145 11.864 1.00 2.27 C ATOM 124 NH1 ARG A 8 123.809 -16.372 11.914 1.00 2.42 N ATOM 125 NH2 ARG A 8 122.351 -14.784 12.593 1.00 3.21 N ATOM 0 H ARG A 8 125.112 -12.384 6.686 1.00 0.48 H new ATOM 0 HA ARG A 8 127.615 -12.584 8.085 1.00 0.50 H new ATOM 0 HB2 ARG A 8 125.485 -14.639 7.315 1.00 0.55 H new ATOM 0 HB3 ARG A 8 126.833 -14.997 8.376 1.00 0.55 H new ATOM 0 HG2 ARG A 8 125.988 -12.826 9.700 1.00 0.57 H new ATOM 0 HG3 ARG A 8 124.478 -13.144 8.869 1.00 0.57 H new ATOM 0 HD2 ARG A 8 124.814 -15.633 9.698 1.00 1.00 H new ATOM 0 HD3 ARG A 8 125.958 -14.939 10.829 1.00 1.00 H new ATOM 0 HE ARG A 8 123.650 -13.307 11.083 1.00 1.69 H new ATOM 0 HH11 ARG A 8 124.612 -16.649 11.349 1.00 2.42 H new ATOM 0 HH12 ARG A 8 123.351 -17.054 12.518 1.00 2.42 H new ATOM 0 HH21 ARG A 8 122.015 -13.821 12.559 1.00 3.21 H new ATOM 0 HH22 ARG A 8 121.890 -15.464 13.198 1.00 3.21 H new ATOM 139 N ASP A 9 127.415 -13.954 5.127 1.00 0.52 N ATOM 140 CA ASP A 9 128.257 -14.588 4.084 1.00 0.54 C ATOM 141 C ASP A 9 129.356 -13.616 3.670 1.00 0.49 C ATOM 142 O ASP A 9 130.468 -14.004 3.408 1.00 0.49 O ATOM 143 CB ASP A 9 127.411 -14.956 2.867 1.00 0.61 C ATOM 144 CG ASP A 9 126.478 -16.116 3.222 1.00 0.68 C ATOM 145 OD1 ASP A 9 126.763 -16.805 4.187 1.00 0.67 O ATOM 146 OD2 ASP A 9 125.495 -16.295 2.522 1.00 0.76 O ATOM 0 H ASP A 9 126.470 -13.703 4.835 1.00 0.52 H new ATOM 0 HA ASP A 9 128.700 -15.499 4.487 1.00 0.54 H new ATOM 0 HB2 ASP A 9 126.828 -14.094 2.542 1.00 0.61 H new ATOM 0 HB3 ASP A 9 128.056 -15.237 2.034 1.00 0.61 H new ATOM 151 N PHE A 10 129.048 -12.353 3.594 1.00 0.46 N ATOM 152 CA PHE A 10 130.084 -11.370 3.172 1.00 0.43 C ATOM 153 C PHE A 10 131.205 -11.286 4.219 1.00 0.38 C ATOM 154 O PHE A 10 132.372 -11.270 3.884 1.00 0.36 O ATOM 155 CB PHE A 10 129.427 -9.998 3.001 1.00 0.45 C ATOM 156 CG PHE A 10 130.402 -9.053 2.344 1.00 0.43 C ATOM 157 CD1 PHE A 10 130.454 -8.964 0.939 1.00 0.44 C ATOM 158 CD2 PHE A 10 131.257 -8.261 3.133 1.00 0.43 C ATOM 159 CE1 PHE A 10 131.362 -8.083 0.323 1.00 0.44 C ATOM 160 CE2 PHE A 10 132.166 -7.378 2.517 1.00 0.43 C ATOM 161 CZ PHE A 10 132.219 -7.290 1.111 1.00 0.43 C ATOM 0 H PHE A 10 128.131 -11.960 3.804 1.00 0.46 H new ATOM 0 HA PHE A 10 130.522 -11.692 2.227 1.00 0.43 H new ATOM 0 HB2 PHE A 10 128.526 -10.087 2.395 1.00 0.45 H new ATOM 0 HB3 PHE A 10 129.121 -9.606 3.971 1.00 0.45 H new ATOM 0 HD1 PHE A 10 129.797 -9.572 0.335 1.00 0.44 H new ATOM 0 HD2 PHE A 10 131.216 -8.330 4.210 1.00 0.43 H new ATOM 0 HE1 PHE A 10 131.402 -8.015 -0.754 1.00 0.44 H new ATOM 0 HE2 PHE A 10 132.822 -6.769 3.122 1.00 0.43 H new ATOM 0 HZ PHE A 10 132.917 -6.615 0.638 1.00 0.43 H new ATOM 171 N VAL A 11 130.866 -11.225 5.479 1.00 0.37 N ATOM 172 CA VAL A 11 131.921 -11.135 6.538 1.00 0.35 C ATOM 173 C VAL A 11 132.444 -12.535 6.885 1.00 0.37 C ATOM 174 O VAL A 11 133.113 -12.719 7.883 1.00 0.38 O ATOM 175 CB VAL A 11 131.325 -10.492 7.797 1.00 0.37 C ATOM 176 CG1 VAL A 11 130.769 -9.093 7.460 1.00 0.44 C ATOM 177 CG2 VAL A 11 130.205 -11.395 8.320 1.00 0.40 C ATOM 0 H VAL A 11 129.906 -11.233 5.824 1.00 0.37 H new ATOM 0 HA VAL A 11 132.746 -10.528 6.165 1.00 0.35 H new ATOM 0 HB VAL A 11 132.095 -10.380 8.560 1.00 0.37 H new ATOM 0 HG11 VAL A 11 130.348 -8.643 8.359 1.00 0.44 H new ATOM 0 HG12 VAL A 11 131.574 -8.463 7.082 1.00 0.44 H new ATOM 0 HG13 VAL A 11 129.992 -9.183 6.701 1.00 0.44 H new ATOM 0 HG21 VAL A 11 129.769 -10.953 9.216 1.00 0.40 H new ATOM 0 HG22 VAL A 11 129.435 -11.499 7.556 1.00 0.40 H new ATOM 0 HG23 VAL A 11 130.612 -12.377 8.561 1.00 0.40 H new ATOM 187 N ALA A 12 132.138 -13.524 6.076 1.00 0.41 N ATOM 188 CA ALA A 12 132.611 -14.922 6.358 1.00 0.48 C ATOM 189 C ALA A 12 133.636 -15.367 5.307 1.00 0.46 C ATOM 190 O ALA A 12 134.287 -16.381 5.461 1.00 0.49 O ATOM 191 CB ALA A 12 131.414 -15.874 6.325 1.00 0.54 C ATOM 0 H ALA A 12 131.579 -13.424 5.229 1.00 0.41 H new ATOM 0 HA ALA A 12 133.082 -14.942 7.341 1.00 0.48 H new ATOM 0 HB1 ALA A 12 131.752 -16.890 6.529 1.00 0.54 H new ATOM 0 HB2 ALA A 12 130.689 -15.574 7.082 1.00 0.54 H new ATOM 0 HB3 ALA A 12 130.947 -15.838 5.341 1.00 0.54 H new ATOM 197 N GLU A 13 133.796 -14.621 4.244 1.00 0.43 N ATOM 198 CA GLU A 13 134.791 -15.014 3.197 1.00 0.43 C ATOM 199 C GLU A 13 135.283 -13.754 2.466 1.00 0.40 C ATOM 200 O GLU A 13 134.560 -12.782 2.367 1.00 0.37 O ATOM 201 CB GLU A 13 134.124 -15.961 2.191 1.00 0.46 C ATOM 202 CG GLU A 13 132.858 -15.307 1.647 1.00 0.48 C ATOM 203 CD GLU A 13 132.175 -16.244 0.649 1.00 0.61 C ATOM 204 OE1 GLU A 13 132.720 -17.304 0.394 1.00 1.26 O ATOM 205 OE2 GLU A 13 131.117 -15.885 0.160 1.00 1.05 O ATOM 0 H GLU A 13 133.284 -13.760 4.055 1.00 0.43 H new ATOM 0 HA GLU A 13 135.636 -15.518 3.665 1.00 0.43 H new ATOM 0 HB2 GLU A 13 134.811 -16.186 1.375 1.00 0.46 H new ATOM 0 HB3 GLU A 13 133.880 -16.908 2.672 1.00 0.46 H new ATOM 0 HG2 GLU A 13 132.177 -15.075 2.466 1.00 0.48 H new ATOM 0 HG3 GLU A 13 133.106 -14.363 1.162 1.00 0.48 H new ATOM 212 N PRO A 14 136.487 -13.760 1.935 1.00 0.42 N ATOM 213 CA PRO A 14 137.028 -12.587 1.189 1.00 0.40 C ATOM 214 C PRO A 14 135.971 -11.954 0.272 1.00 0.36 C ATOM 215 O PRO A 14 134.986 -12.578 -0.071 1.00 0.36 O ATOM 216 CB PRO A 14 138.172 -13.189 0.366 1.00 0.45 C ATOM 217 CG PRO A 14 138.672 -14.338 1.185 1.00 0.49 C ATOM 218 CD PRO A 14 137.469 -14.866 1.986 1.00 0.48 C ATOM 0 HA PRO A 14 137.347 -11.784 1.853 1.00 0.40 H new ATOM 0 HB2 PRO A 14 137.823 -13.523 -0.611 1.00 0.45 H new ATOM 0 HB3 PRO A 14 138.960 -12.457 0.190 1.00 0.45 H new ATOM 0 HG2 PRO A 14 139.084 -15.119 0.546 1.00 0.49 H new ATOM 0 HG3 PRO A 14 139.472 -14.018 1.853 1.00 0.49 H new ATOM 0 HD2 PRO A 14 137.066 -15.778 1.545 1.00 0.48 H new ATOM 0 HD3 PRO A 14 137.747 -15.105 3.012 1.00 0.48 H new ATOM 226 N MET A 15 136.161 -10.721 -0.125 1.00 0.35 N ATOM 227 CA MET A 15 135.159 -10.058 -1.015 1.00 0.35 C ATOM 228 C MET A 15 135.536 -10.278 -2.485 1.00 0.36 C ATOM 229 O MET A 15 134.716 -10.149 -3.369 1.00 0.39 O ATOM 230 CB MET A 15 135.114 -8.557 -0.713 1.00 0.37 C ATOM 231 CG MET A 15 136.537 -8.007 -0.584 1.00 0.41 C ATOM 232 SD MET A 15 136.510 -6.205 -0.782 1.00 0.57 S ATOM 233 CE MET A 15 136.056 -5.770 0.917 1.00 0.43 C ATOM 0 H MET A 15 136.964 -10.146 0.128 1.00 0.35 H new ATOM 0 HA MET A 15 134.177 -10.493 -0.831 1.00 0.35 H new ATOM 0 HB2 MET A 15 134.583 -8.033 -1.508 1.00 0.37 H new ATOM 0 HB3 MET A 15 134.561 -8.380 0.210 1.00 0.37 H new ATOM 0 HG2 MET A 15 136.953 -8.270 0.388 1.00 0.41 H new ATOM 0 HG3 MET A 15 137.182 -8.457 -1.339 1.00 0.41 H new ATOM 0 HE1 MET A 15 135.548 -4.806 0.922 1.00 0.43 H new ATOM 0 HE2 MET A 15 135.391 -6.533 1.323 1.00 0.43 H new ATOM 0 HE3 MET A 15 136.955 -5.709 1.530 1.00 0.43 H new ATOM 243 N GLY A 16 136.769 -10.612 -2.754 1.00 0.37 N ATOM 244 CA GLY A 16 137.192 -10.849 -4.167 1.00 0.40 C ATOM 245 C GLY A 16 136.742 -9.691 -5.066 1.00 0.40 C ATOM 246 O GLY A 16 136.829 -8.535 -4.702 1.00 0.38 O ATOM 0 H GLY A 16 137.504 -10.731 -2.057 1.00 0.37 H new ATOM 0 HA2 GLY A 16 138.276 -10.954 -4.215 1.00 0.40 H new ATOM 0 HA3 GLY A 16 136.765 -11.784 -4.528 1.00 0.40 H new ATOM 250 N GLU A 17 136.290 -10.004 -6.257 1.00 0.41 N ATOM 251 CA GLU A 17 135.859 -8.945 -7.227 1.00 0.42 C ATOM 252 C GLU A 17 134.332 -8.917 -7.338 1.00 0.40 C ATOM 253 O GLU A 17 133.785 -8.615 -8.379 1.00 0.40 O ATOM 254 CB GLU A 17 136.449 -9.268 -8.601 1.00 0.47 C ATOM 255 CG GLU A 17 137.970 -9.102 -8.560 1.00 0.52 C ATOM 256 CD GLU A 17 138.555 -9.427 -9.935 1.00 0.57 C ATOM 257 OE1 GLU A 17 137.818 -9.929 -10.768 1.00 0.76 O ATOM 258 OE2 GLU A 17 139.731 -9.170 -10.133 1.00 0.85 O ATOM 0 H GLU A 17 136.200 -10.959 -6.603 1.00 0.41 H new ATOM 0 HA GLU A 17 136.209 -7.974 -6.877 1.00 0.42 H new ATOM 0 HB2 GLU A 17 136.192 -10.288 -8.887 1.00 0.47 H new ATOM 0 HB3 GLU A 17 136.021 -8.608 -9.356 1.00 0.47 H new ATOM 0 HG2 GLU A 17 138.228 -8.082 -8.275 1.00 0.52 H new ATOM 0 HG3 GLU A 17 138.398 -9.762 -7.805 1.00 0.52 H new ATOM 265 N LYS A 18 133.639 -9.243 -6.284 1.00 0.38 N ATOM 266 CA LYS A 18 132.150 -9.248 -6.347 1.00 0.36 C ATOM 267 C LYS A 18 131.647 -7.824 -6.646 1.00 0.32 C ATOM 268 O LYS A 18 132.279 -6.853 -6.278 1.00 0.31 O ATOM 269 CB LYS A 18 131.595 -9.742 -5.000 1.00 0.36 C ATOM 270 CG LYS A 18 131.982 -11.231 -4.781 1.00 0.45 C ATOM 271 CD LYS A 18 130.825 -12.006 -4.123 1.00 1.17 C ATOM 272 CE LYS A 18 131.145 -13.520 -4.071 1.00 1.44 C ATOM 273 NZ LYS A 18 131.432 -13.915 -2.664 1.00 2.01 N ATOM 0 H LYS A 18 134.037 -9.506 -5.383 1.00 0.38 H new ATOM 0 HA LYS A 18 131.809 -9.913 -7.140 1.00 0.36 H new ATOM 0 HB2 LYS A 18 131.991 -9.132 -4.188 1.00 0.36 H new ATOM 0 HB3 LYS A 18 130.511 -9.633 -4.982 1.00 0.36 H new ATOM 0 HG2 LYS A 18 132.236 -11.690 -5.737 1.00 0.45 H new ATOM 0 HG3 LYS A 18 132.870 -11.292 -4.152 1.00 0.45 H new ATOM 0 HD2 LYS A 18 130.655 -11.630 -3.114 1.00 1.17 H new ATOM 0 HD3 LYS A 18 129.905 -11.842 -4.684 1.00 1.17 H new ATOM 0 HE2 LYS A 18 130.303 -14.095 -4.458 1.00 1.44 H new ATOM 0 HE3 LYS A 18 132.002 -13.744 -4.706 1.00 1.44 H new ATOM 0 HZ1 LYS A 18 131.647 -14.932 -2.626 1.00 2.01 H new ATOM 0 HZ2 LYS A 18 132.248 -13.375 -2.311 1.00 2.01 H new ATOM 0 HZ3 LYS A 18 130.602 -13.715 -2.071 1.00 2.01 H new ATOM 287 N PRO A 19 130.529 -7.696 -7.333 1.00 0.31 N ATOM 288 CA PRO A 19 129.961 -6.361 -7.710 1.00 0.29 C ATOM 289 C PRO A 19 129.509 -5.536 -6.498 1.00 0.25 C ATOM 290 O PRO A 19 129.191 -6.063 -5.450 1.00 0.24 O ATOM 291 CB PRO A 19 128.762 -6.713 -8.614 1.00 0.32 C ATOM 292 CG PRO A 19 128.381 -8.104 -8.226 1.00 0.33 C ATOM 293 CD PRO A 19 129.682 -8.799 -7.829 1.00 0.34 C ATOM 0 HA PRO A 19 130.707 -5.735 -8.200 1.00 0.29 H new ATOM 0 HB2 PRO A 19 127.935 -6.020 -8.460 1.00 0.32 H new ATOM 0 HB3 PRO A 19 129.033 -6.657 -9.668 1.00 0.32 H new ATOM 0 HG2 PRO A 19 127.673 -8.098 -7.398 1.00 0.33 H new ATOM 0 HG3 PRO A 19 127.898 -8.622 -9.055 1.00 0.33 H new ATOM 0 HD2 PRO A 19 129.515 -9.553 -7.060 1.00 0.34 H new ATOM 0 HD3 PRO A 19 130.141 -9.306 -8.678 1.00 0.34 H new ATOM 301 N VAL A 20 129.483 -4.238 -6.649 1.00 0.25 N ATOM 302 CA VAL A 20 129.059 -3.350 -5.530 1.00 0.23 C ATOM 303 C VAL A 20 127.708 -3.824 -4.985 1.00 0.21 C ATOM 304 O VAL A 20 127.513 -3.929 -3.791 1.00 0.23 O ATOM 305 CB VAL A 20 128.963 -1.897 -6.054 1.00 0.27 C ATOM 306 CG1 VAL A 20 128.098 -1.856 -7.322 1.00 0.32 C ATOM 307 CG2 VAL A 20 128.363 -0.942 -4.984 1.00 0.29 C ATOM 0 H VAL A 20 129.740 -3.752 -7.508 1.00 0.25 H new ATOM 0 HA VAL A 20 129.787 -3.387 -4.720 1.00 0.23 H new ATOM 0 HB VAL A 20 129.973 -1.558 -6.283 1.00 0.27 H new ATOM 0 HG11 VAL A 20 128.034 -0.831 -7.686 1.00 0.32 H new ATOM 0 HG12 VAL A 20 128.547 -2.486 -8.090 1.00 0.32 H new ATOM 0 HG13 VAL A 20 127.097 -2.222 -7.092 1.00 0.32 H new ATOM 0 HG21 VAL A 20 128.311 0.069 -5.387 1.00 0.29 H new ATOM 0 HG22 VAL A 20 127.361 -1.278 -4.717 1.00 0.29 H new ATOM 0 HG23 VAL A 20 128.996 -0.947 -4.096 1.00 0.29 H new ATOM 317 N GLY A 21 126.762 -4.081 -5.850 1.00 0.23 N ATOM 318 CA GLY A 21 125.415 -4.512 -5.387 1.00 0.21 C ATOM 319 C GLY A 21 125.522 -5.730 -4.471 1.00 0.20 C ATOM 320 O GLY A 21 124.535 -6.188 -3.930 1.00 0.19 O ATOM 0 H GLY A 21 126.868 -4.010 -6.862 1.00 0.23 H new ATOM 0 HA2 GLY A 21 124.928 -3.694 -4.856 1.00 0.21 H new ATOM 0 HA3 GLY A 21 124.789 -4.751 -6.247 1.00 0.21 H new ATOM 324 N SER A 22 126.696 -6.271 -4.285 1.00 0.20 N ATOM 325 CA SER A 22 126.829 -7.461 -3.397 1.00 0.20 C ATOM 326 C SER A 22 126.917 -7.006 -1.936 1.00 0.19 C ATOM 327 O SER A 22 126.631 -7.758 -1.026 1.00 0.20 O ATOM 328 CB SER A 22 128.095 -8.238 -3.777 1.00 0.23 C ATOM 329 OG SER A 22 127.965 -9.585 -3.340 1.00 1.24 O ATOM 0 H SER A 22 127.564 -5.942 -4.707 1.00 0.20 H new ATOM 0 HA SER A 22 125.959 -8.106 -3.517 1.00 0.20 H new ATOM 0 HB2 SER A 22 128.246 -8.206 -4.856 1.00 0.23 H new ATOM 0 HB3 SER A 22 128.970 -7.777 -3.319 1.00 0.23 H new ATOM 0 HG SER A 22 128.771 -10.087 -3.582 1.00 1.24 H new ATOM 335 N LEU A 23 127.312 -5.783 -1.701 1.00 0.17 N ATOM 336 CA LEU A 23 127.417 -5.293 -0.296 1.00 0.18 C ATOM 337 C LEU A 23 126.025 -5.260 0.341 1.00 0.18 C ATOM 338 O LEU A 23 125.050 -4.886 -0.279 1.00 0.17 O ATOM 339 CB LEU A 23 128.009 -3.882 -0.287 1.00 0.18 C ATOM 340 CG LEU A 23 129.436 -3.906 -0.877 1.00 0.21 C ATOM 341 CD1 LEU A 23 129.920 -2.456 -1.161 1.00 0.23 C ATOM 342 CD2 LEU A 23 130.414 -4.640 0.102 1.00 0.24 C ATOM 0 H LEU A 23 127.566 -5.104 -2.419 1.00 0.17 H new ATOM 0 HA LEU A 23 128.063 -5.964 0.271 1.00 0.18 H new ATOM 0 HB2 LEU A 23 127.377 -3.210 -0.868 1.00 0.18 H new ATOM 0 HB3 LEU A 23 128.034 -3.495 0.732 1.00 0.18 H new ATOM 0 HG LEU A 23 129.423 -4.454 -1.819 1.00 0.21 H new ATOM 0 HD11 LEU A 23 130.927 -2.483 -1.577 1.00 0.23 H new ATOM 0 HD12 LEU A 23 129.246 -1.980 -1.874 1.00 0.23 H new ATOM 0 HD13 LEU A 23 129.926 -1.886 -0.232 1.00 0.23 H new ATOM 0 HD21 LEU A 23 131.417 -4.650 -0.325 1.00 0.24 H new ATOM 0 HD22 LEU A 23 130.432 -4.117 1.058 1.00 0.24 H new ATOM 0 HD23 LEU A 23 130.074 -5.664 0.255 1.00 0.24 H new ATOM 354 N ALA A 24 125.939 -5.648 1.578 1.00 0.18 N ATOM 355 CA ALA A 24 124.618 -5.642 2.270 1.00 0.19 C ATOM 356 C ALA A 24 124.110 -4.200 2.413 1.00 0.20 C ATOM 357 O ALA A 24 124.846 -3.295 2.753 1.00 0.20 O ATOM 358 CB ALA A 24 124.771 -6.281 3.658 1.00 0.21 C ATOM 0 H ALA A 24 126.724 -5.970 2.144 1.00 0.18 H new ATOM 0 HA ALA A 24 123.898 -6.213 1.684 1.00 0.19 H new ATOM 0 HB1 ALA A 24 123.808 -6.279 4.168 1.00 0.21 H new ATOM 0 HB2 ALA A 24 125.122 -7.307 3.549 1.00 0.21 H new ATOM 0 HB3 ALA A 24 125.492 -5.711 4.243 1.00 0.21 H new ATOM 364 N GLY A 25 122.844 -3.996 2.158 1.00 0.20 N ATOM 365 CA GLY A 25 122.250 -2.627 2.277 1.00 0.21 C ATOM 366 C GLY A 25 122.135 -1.985 0.893 1.00 0.21 C ATOM 367 O GLY A 25 121.371 -1.061 0.694 1.00 0.22 O ATOM 0 H GLY A 25 122.190 -4.723 1.870 1.00 0.20 H new ATOM 0 HA2 GLY A 25 121.266 -2.688 2.742 1.00 0.21 H new ATOM 0 HA3 GLY A 25 122.871 -2.007 2.924 1.00 0.21 H new ATOM 371 N ILE A 26 122.881 -2.468 -0.069 1.00 0.20 N ATOM 372 CA ILE A 26 122.810 -1.885 -1.447 1.00 0.21 C ATOM 373 C ILE A 26 121.937 -2.792 -2.308 1.00 0.23 C ATOM 374 O ILE A 26 122.251 -3.948 -2.517 1.00 0.25 O ATOM 375 CB ILE A 26 124.225 -1.803 -2.049 1.00 0.22 C ATOM 376 CG1 ILE A 26 125.197 -1.124 -1.059 1.00 0.22 C ATOM 377 CG2 ILE A 26 124.193 -1.017 -3.368 1.00 0.25 C ATOM 378 CD1 ILE A 26 124.956 0.395 -0.982 1.00 0.24 C ATOM 0 H ILE A 26 123.537 -3.241 0.039 1.00 0.20 H new ATOM 0 HA ILE A 26 122.385 -0.882 -1.409 1.00 0.21 H new ATOM 0 HB ILE A 26 124.575 -2.817 -2.244 1.00 0.22 H new ATOM 0 HG12 ILE A 26 125.075 -1.563 -0.069 1.00 0.22 H new ATOM 0 HG13 ILE A 26 126.225 -1.315 -1.368 1.00 0.22 H new ATOM 0 HG21 ILE A 26 125.199 -0.965 -3.785 1.00 0.25 H new ATOM 0 HG22 ILE A 26 123.532 -1.519 -4.075 1.00 0.25 H new ATOM 0 HG23 ILE A 26 123.825 -0.008 -3.181 1.00 0.25 H new ATOM 0 HD11 ILE A 26 125.658 0.839 -0.276 1.00 0.24 H new ATOM 0 HD12 ILE A 26 125.103 0.837 -1.967 1.00 0.24 H new ATOM 0 HD13 ILE A 26 123.936 0.585 -0.648 1.00 0.24 H new ATOM 390 N GLY A 27 120.841 -2.290 -2.815 1.00 0.24 N ATOM 391 CA GLY A 27 119.957 -3.135 -3.665 1.00 0.28 C ATOM 392 C GLY A 27 120.366 -2.994 -5.131 1.00 0.28 C ATOM 393 O GLY A 27 121.265 -2.251 -5.470 1.00 0.27 O ATOM 0 H GLY A 27 120.522 -1.331 -2.676 1.00 0.24 H new ATOM 0 HA2 GLY A 27 120.028 -4.178 -3.356 1.00 0.28 H new ATOM 0 HA3 GLY A 27 118.917 -2.834 -3.537 1.00 0.28 H new ATOM 397 N GLU A 28 119.730 -3.730 -5.993 1.00 0.30 N ATOM 398 CA GLU A 28 120.097 -3.671 -7.435 1.00 0.32 C ATOM 399 C GLU A 28 119.937 -2.245 -7.975 1.00 0.32 C ATOM 400 O GLU A 28 120.747 -1.781 -8.753 1.00 0.34 O ATOM 401 CB GLU A 28 119.201 -4.630 -8.220 1.00 0.36 C ATOM 402 CG GLU A 28 119.583 -6.069 -7.867 1.00 0.39 C ATOM 403 CD GLU A 28 118.697 -7.044 -8.644 1.00 1.28 C ATOM 404 OE1 GLU A 28 117.739 -6.591 -9.248 1.00 2.01 O ATOM 405 OE2 GLU A 28 118.990 -8.228 -8.618 1.00 1.65 O ATOM 0 H GLU A 28 118.971 -4.371 -5.764 1.00 0.30 H new ATOM 0 HA GLU A 28 121.140 -3.964 -7.550 1.00 0.32 H new ATOM 0 HB2 GLU A 28 118.153 -4.449 -7.980 1.00 0.36 H new ATOM 0 HB3 GLU A 28 119.316 -4.462 -9.291 1.00 0.36 H new ATOM 0 HG2 GLU A 28 120.632 -6.246 -8.106 1.00 0.39 H new ATOM 0 HG3 GLU A 28 119.468 -6.233 -6.796 1.00 0.39 H new ATOM 412 N VAL A 29 118.908 -1.543 -7.584 1.00 0.31 N ATOM 413 CA VAL A 29 118.729 -0.155 -8.105 1.00 0.33 C ATOM 414 C VAL A 29 119.846 0.743 -7.567 1.00 0.33 C ATOM 415 O VAL A 29 120.415 1.544 -8.283 1.00 0.35 O ATOM 416 CB VAL A 29 117.365 0.396 -7.659 1.00 0.34 C ATOM 417 CG1 VAL A 29 117.251 1.908 -8.010 1.00 0.38 C ATOM 418 CG2 VAL A 29 116.254 -0.414 -8.351 1.00 0.35 C ATOM 0 H VAL A 29 118.191 -1.864 -6.934 1.00 0.31 H new ATOM 0 HA VAL A 29 118.771 -0.172 -9.194 1.00 0.33 H new ATOM 0 HB VAL A 29 117.262 0.299 -6.578 1.00 0.34 H new ATOM 0 HG11 VAL A 29 116.280 2.284 -7.688 1.00 0.38 H new ATOM 0 HG12 VAL A 29 118.041 2.460 -7.501 1.00 0.38 H new ATOM 0 HG13 VAL A 29 117.352 2.040 -9.087 1.00 0.38 H new ATOM 0 HG21 VAL A 29 115.280 -0.033 -8.043 1.00 0.35 H new ATOM 0 HG22 VAL A 29 116.355 -0.320 -9.432 1.00 0.35 H new ATOM 0 HG23 VAL A 29 116.339 -1.463 -8.068 1.00 0.35 H new ATOM 428 N LEU A 30 120.154 0.624 -6.306 1.00 0.32 N ATOM 429 CA LEU A 30 121.220 1.474 -5.703 1.00 0.32 C ATOM 430 C LEU A 30 122.588 1.071 -6.239 1.00 0.32 C ATOM 431 O LEU A 30 123.430 1.903 -6.512 1.00 0.33 O ATOM 432 CB LEU A 30 121.206 1.288 -4.191 1.00 0.32 C ATOM 433 CG LEU A 30 119.879 1.799 -3.631 1.00 0.35 C ATOM 434 CD1 LEU A 30 119.803 1.448 -2.148 1.00 0.36 C ATOM 435 CD2 LEU A 30 119.766 3.333 -3.828 1.00 0.40 C ATOM 0 H LEU A 30 119.710 -0.030 -5.662 1.00 0.32 H new ATOM 0 HA LEU A 30 121.031 2.516 -5.960 1.00 0.32 H new ATOM 0 HB2 LEU A 30 121.338 0.235 -3.941 1.00 0.32 H new ATOM 0 HB3 LEU A 30 122.037 1.829 -3.739 1.00 0.32 H new ATOM 0 HG LEU A 30 119.052 1.328 -4.162 1.00 0.35 H new ATOM 0 HD11 LEU A 30 118.860 1.808 -1.737 1.00 0.36 H new ATOM 0 HD12 LEU A 30 119.863 0.366 -2.027 1.00 0.36 H new ATOM 0 HD13 LEU A 30 120.632 1.919 -1.620 1.00 0.36 H new ATOM 0 HD21 LEU A 30 118.816 3.683 -3.424 1.00 0.40 H new ATOM 0 HD22 LEU A 30 120.586 3.828 -3.307 1.00 0.40 H new ATOM 0 HD23 LEU A 30 119.817 3.568 -4.891 1.00 0.40 H new ATOM 447 N GLY A 31 122.817 -0.197 -6.391 1.00 0.33 N ATOM 448 CA GLY A 31 124.134 -0.641 -6.911 1.00 0.34 C ATOM 449 C GLY A 31 124.334 -0.035 -8.296 1.00 0.35 C ATOM 450 O GLY A 31 125.441 0.227 -8.722 1.00 0.35 O ATOM 0 H GLY A 31 122.154 -0.943 -6.179 1.00 0.33 H new ATOM 0 HA2 GLY A 31 124.933 -0.325 -6.240 1.00 0.34 H new ATOM 0 HA3 GLY A 31 124.174 -1.729 -6.964 1.00 0.34 H new ATOM 454 N LYS A 32 123.260 0.171 -9.006 1.00 0.35 N ATOM 455 CA LYS A 32 123.361 0.740 -10.376 1.00 0.37 C ATOM 456 C LYS A 32 123.811 2.210 -10.321 1.00 0.36 C ATOM 457 O LYS A 32 124.590 2.654 -11.140 1.00 0.38 O ATOM 458 CB LYS A 32 121.981 0.637 -11.038 1.00 0.39 C ATOM 459 CG LYS A 32 122.127 0.603 -12.558 1.00 1.18 C ATOM 460 CD LYS A 32 120.740 0.500 -13.196 1.00 1.37 C ATOM 461 CE LYS A 32 120.861 0.589 -14.720 1.00 2.06 C ATOM 462 NZ LYS A 32 119.657 -0.024 -15.347 1.00 2.74 N ATOM 0 H LYS A 32 122.311 -0.032 -8.693 1.00 0.35 H new ATOM 0 HA LYS A 32 124.101 0.185 -10.952 1.00 0.37 H new ATOM 0 HB2 LYS A 32 121.471 -0.263 -10.694 1.00 0.39 H new ATOM 0 HB3 LYS A 32 121.364 1.486 -10.743 1.00 0.39 H new ATOM 0 HG2 LYS A 32 122.635 1.502 -12.906 1.00 1.18 H new ATOM 0 HG3 LYS A 32 122.742 -0.246 -12.857 1.00 1.18 H new ATOM 0 HD2 LYS A 32 120.269 -0.442 -12.914 1.00 1.37 H new ATOM 0 HD3 LYS A 32 120.099 1.300 -12.826 1.00 1.37 H new ATOM 0 HE2 LYS A 32 120.955 1.630 -15.028 1.00 2.06 H new ATOM 0 HE3 LYS A 32 121.761 0.074 -15.055 1.00 2.06 H new ATOM 0 HZ1 LYS A 32 119.737 0.035 -16.382 1.00 2.74 H new ATOM 0 HZ2 LYS A 32 119.587 -1.022 -15.062 1.00 2.74 H new ATOM 0 HZ3 LYS A 32 118.806 0.486 -15.036 1.00 2.74 H new ATOM 476 N LYS A 33 123.314 2.979 -9.386 1.00 0.35 N ATOM 477 CA LYS A 33 123.712 4.418 -9.332 1.00 0.36 C ATOM 478 C LYS A 33 125.187 4.522 -8.938 1.00 0.34 C ATOM 479 O LYS A 33 125.934 5.286 -9.513 1.00 0.36 O ATOM 480 CB LYS A 33 122.837 5.144 -8.306 1.00 0.36 C ATOM 481 CG LYS A 33 121.386 5.115 -8.795 1.00 0.39 C ATOM 482 CD LYS A 33 120.458 5.744 -7.740 1.00 0.64 C ATOM 483 CE LYS A 33 118.977 5.365 -8.006 1.00 0.65 C ATOM 484 NZ LYS A 33 118.204 6.589 -8.357 1.00 1.54 N ATOM 0 H LYS A 33 122.658 2.678 -8.666 1.00 0.35 H new ATOM 0 HA LYS A 33 123.574 4.880 -10.310 1.00 0.36 H new ATOM 0 HB2 LYS A 33 122.918 4.662 -7.332 1.00 0.36 H new ATOM 0 HB3 LYS A 33 123.174 6.173 -8.182 1.00 0.36 H new ATOM 0 HG2 LYS A 33 121.301 5.659 -9.736 1.00 0.39 H new ATOM 0 HG3 LYS A 33 121.081 4.087 -8.992 1.00 0.39 H new ATOM 0 HD2 LYS A 33 120.751 5.407 -6.746 1.00 0.64 H new ATOM 0 HD3 LYS A 33 120.568 6.828 -7.754 1.00 0.64 H new ATOM 0 HE2 LYS A 33 118.917 4.639 -8.817 1.00 0.65 H new ATOM 0 HE3 LYS A 33 118.548 4.892 -7.123 1.00 0.65 H new ATOM 0 HZ1 LYS A 33 117.212 6.334 -8.535 1.00 1.54 H new ATOM 0 HZ2 LYS A 33 118.251 7.267 -7.570 1.00 1.54 H new ATOM 0 HZ3 LYS A 33 118.609 7.022 -9.212 1.00 1.54 H new ATOM 498 N LEU A 34 125.625 3.740 -7.993 1.00 0.32 N ATOM 499 CA LEU A 34 127.064 3.784 -7.610 1.00 0.31 C ATOM 500 C LEU A 34 127.897 3.361 -8.828 1.00 0.31 C ATOM 501 O LEU A 34 128.958 3.887 -9.094 1.00 0.33 O ATOM 502 CB LEU A 34 127.317 2.838 -6.428 1.00 0.29 C ATOM 503 CG LEU A 34 126.561 3.333 -5.184 1.00 0.30 C ATOM 504 CD1 LEU A 34 126.473 2.200 -4.162 1.00 0.30 C ATOM 505 CD2 LEU A 34 127.302 4.517 -4.538 1.00 0.34 C ATOM 0 H LEU A 34 125.054 3.076 -7.471 1.00 0.32 H new ATOM 0 HA LEU A 34 127.346 4.791 -7.303 1.00 0.31 H new ATOM 0 HB2 LEU A 34 126.992 1.829 -6.683 1.00 0.29 H new ATOM 0 HB3 LEU A 34 128.385 2.785 -6.217 1.00 0.29 H new ATOM 0 HG LEU A 34 125.564 3.653 -5.488 1.00 0.30 H new ATOM 0 HD11 LEU A 34 125.937 2.548 -3.279 1.00 0.30 H new ATOM 0 HD12 LEU A 34 125.941 1.355 -4.600 1.00 0.30 H new ATOM 0 HD13 LEU A 34 127.478 1.888 -3.878 1.00 0.30 H new ATOM 0 HD21 LEU A 34 126.753 4.854 -3.659 1.00 0.34 H new ATOM 0 HD22 LEU A 34 128.303 4.202 -4.242 1.00 0.34 H new ATOM 0 HD23 LEU A 34 127.376 5.335 -5.255 1.00 0.34 H new ATOM 517 N GLU A 35 127.414 2.402 -9.561 1.00 0.32 N ATOM 518 CA GLU A 35 128.170 1.933 -10.759 1.00 0.34 C ATOM 519 C GLU A 35 128.345 3.104 -11.738 1.00 0.37 C ATOM 520 O GLU A 35 129.407 3.307 -12.292 1.00 0.39 O ATOM 521 CB GLU A 35 127.397 0.789 -11.422 1.00 0.35 C ATOM 522 CG GLU A 35 128.177 0.263 -12.627 1.00 0.93 C ATOM 523 CD GLU A 35 127.425 -0.921 -13.240 1.00 1.02 C ATOM 524 OE1 GLU A 35 126.599 -0.688 -14.106 1.00 1.36 O ATOM 525 OE2 GLU A 35 127.686 -2.039 -12.827 1.00 1.67 O ATOM 0 H GLU A 35 126.531 1.921 -9.386 1.00 0.32 H new ATOM 0 HA GLU A 35 129.155 1.571 -10.466 1.00 0.34 H new ATOM 0 HB2 GLU A 35 127.234 -0.015 -10.704 1.00 0.35 H new ATOM 0 HB3 GLU A 35 126.414 1.138 -11.738 1.00 0.35 H new ATOM 0 HG2 GLU A 35 128.300 1.053 -13.368 1.00 0.93 H new ATOM 0 HG3 GLU A 35 129.177 -0.046 -12.321 1.00 0.93 H new ATOM 532 N GLU A 36 127.319 3.890 -11.931 1.00 0.39 N ATOM 533 CA GLU A 36 127.426 5.070 -12.845 1.00 0.43 C ATOM 534 C GLU A 36 128.382 6.091 -12.217 1.00 0.45 C ATOM 535 O GLU A 36 128.869 6.992 -12.871 1.00 0.49 O ATOM 536 CB GLU A 36 126.030 5.709 -13.036 1.00 0.45 C ATOM 537 CG GLU A 36 125.389 5.226 -14.342 1.00 1.12 C ATOM 538 CD GLU A 36 124.055 5.948 -14.546 1.00 1.39 C ATOM 539 OE1 GLU A 36 124.041 7.164 -14.444 1.00 2.00 O ATOM 540 OE2 GLU A 36 123.071 5.274 -14.797 1.00 1.86 O ATOM 0 H GLU A 36 126.406 3.766 -11.493 1.00 0.39 H new ATOM 0 HA GLU A 36 127.806 4.755 -13.817 1.00 0.43 H new ATOM 0 HB2 GLU A 36 125.388 5.452 -12.193 1.00 0.45 H new ATOM 0 HB3 GLU A 36 126.120 6.795 -13.049 1.00 0.45 H new ATOM 0 HG2 GLU A 36 126.055 5.423 -15.182 1.00 1.12 H new ATOM 0 HG3 GLU A 36 125.231 4.148 -14.306 1.00 1.12 H new ATOM 547 N ARG A 37 128.616 5.972 -10.944 1.00 0.42 N ATOM 548 CA ARG A 37 129.501 6.950 -10.249 1.00 0.45 C ATOM 549 C ARG A 37 130.960 6.477 -10.309 1.00 0.42 C ATOM 550 O ARG A 37 131.850 7.147 -9.824 1.00 0.43 O ATOM 551 CB ARG A 37 129.062 7.058 -8.787 1.00 0.45 C ATOM 552 CG ARG A 37 127.684 7.719 -8.681 1.00 0.53 C ATOM 553 CD ARG A 37 127.781 9.241 -8.811 1.00 0.86 C ATOM 554 NE ARG A 37 126.597 9.819 -8.110 1.00 1.42 N ATOM 555 CZ ARG A 37 126.437 11.107 -8.027 1.00 1.88 C ATOM 556 NH1 ARG A 37 127.224 11.907 -8.690 1.00 2.15 N ATOM 557 NH2 ARG A 37 125.467 11.593 -7.302 1.00 2.69 N ATOM 0 H ARG A 37 128.232 5.237 -10.349 1.00 0.42 H new ATOM 0 HA ARG A 37 129.425 7.921 -10.738 1.00 0.45 H new ATOM 0 HB2 ARG A 37 129.030 6.065 -8.338 1.00 0.45 H new ATOM 0 HB3 ARG A 37 129.793 7.639 -8.225 1.00 0.45 H new ATOM 0 HG2 ARG A 37 127.030 7.327 -9.460 1.00 0.53 H new ATOM 0 HG3 ARG A 37 127.229 7.463 -7.724 1.00 0.53 H new ATOM 0 HD2 ARG A 37 128.707 9.607 -8.368 1.00 0.86 H new ATOM 0 HD3 ARG A 37 127.790 9.538 -9.860 1.00 0.86 H new ATOM 0 HE ARG A 37 125.906 9.197 -7.691 1.00 1.42 H new ATOM 0 HH11 ARG A 37 127.966 11.523 -9.275 1.00 2.15 H new ATOM 0 HH12 ARG A 37 127.097 12.917 -8.624 1.00 2.15 H new ATOM 0 HH21 ARG A 37 124.838 10.963 -6.803 1.00 2.69 H new ATOM 0 HH22 ARG A 37 125.338 12.602 -7.234 1.00 2.69 H new ATOM 571 N GLY A 38 131.221 5.346 -10.923 1.00 0.40 N ATOM 572 CA GLY A 38 132.637 4.859 -11.039 1.00 0.39 C ATOM 573 C GLY A 38 132.921 3.752 -10.023 1.00 0.37 C ATOM 574 O GLY A 38 134.037 3.282 -9.914 1.00 0.48 O ATOM 0 H GLY A 38 130.519 4.740 -11.348 1.00 0.40 H new ATOM 0 HA2 GLY A 38 132.816 4.486 -12.048 1.00 0.39 H new ATOM 0 HA3 GLY A 38 133.325 5.689 -10.879 1.00 0.39 H new ATOM 578 N PHE A 39 131.930 3.313 -9.291 1.00 0.31 N ATOM 579 CA PHE A 39 132.148 2.214 -8.298 1.00 0.28 C ATOM 580 C PHE A 39 131.544 0.930 -8.866 1.00 0.28 C ATOM 581 O PHE A 39 130.487 0.493 -8.457 1.00 0.28 O ATOM 582 CB PHE A 39 131.436 2.555 -6.995 1.00 0.27 C ATOM 583 CG PHE A 39 132.035 3.797 -6.378 1.00 0.28 C ATOM 584 CD1 PHE A 39 133.123 3.707 -5.490 1.00 0.28 C ATOM 585 CD2 PHE A 39 131.493 5.048 -6.693 1.00 0.31 C ATOM 586 CE1 PHE A 39 133.665 4.878 -4.921 1.00 0.30 C ATOM 587 CE2 PHE A 39 132.027 6.218 -6.128 1.00 0.33 C ATOM 588 CZ PHE A 39 133.115 6.135 -5.240 1.00 0.32 C ATOM 0 H PHE A 39 130.975 3.668 -9.337 1.00 0.31 H new ATOM 0 HA PHE A 39 133.214 2.089 -8.108 1.00 0.28 H new ATOM 0 HB2 PHE A 39 130.374 2.711 -7.183 1.00 0.27 H new ATOM 0 HB3 PHE A 39 131.517 1.720 -6.299 1.00 0.27 H new ATOM 0 HD1 PHE A 39 133.542 2.742 -5.245 1.00 0.28 H new ATOM 0 HD2 PHE A 39 130.658 5.114 -7.375 1.00 0.31 H new ATOM 0 HE1 PHE A 39 134.501 4.811 -4.241 1.00 0.30 H new ATOM 0 HE2 PHE A 39 131.603 7.180 -6.375 1.00 0.33 H new ATOM 0 HZ PHE A 39 133.528 7.033 -4.804 1.00 0.32 H new ATOM 598 N ASP A 40 132.197 0.342 -9.825 1.00 0.30 N ATOM 599 CA ASP A 40 131.647 -0.897 -10.445 1.00 0.31 C ATOM 600 C ASP A 40 131.988 -2.124 -9.597 1.00 0.29 C ATOM 601 O ASP A 40 131.475 -3.200 -9.833 1.00 0.30 O ATOM 602 CB ASP A 40 132.263 -1.071 -11.833 1.00 0.35 C ATOM 603 CG ASP A 40 133.783 -1.195 -11.700 1.00 0.37 C ATOM 604 OD1 ASP A 40 134.303 -0.781 -10.677 1.00 0.37 O ATOM 605 OD2 ASP A 40 134.400 -1.702 -12.622 1.00 0.41 O ATOM 0 H ASP A 40 133.086 0.663 -10.208 1.00 0.30 H new ATOM 0 HA ASP A 40 130.563 -0.805 -10.513 1.00 0.31 H new ATOM 0 HB2 ASP A 40 131.855 -1.959 -12.316 1.00 0.35 H new ATOM 0 HB3 ASP A 40 132.010 -0.220 -12.465 1.00 0.35 H new ATOM 610 N LYS A 41 132.863 -1.986 -8.625 1.00 0.28 N ATOM 611 CA LYS A 41 133.251 -3.167 -7.776 1.00 0.28 C ATOM 612 C LYS A 41 133.191 -2.768 -6.294 1.00 0.23 C ATOM 613 O LYS A 41 133.291 -1.609 -5.945 1.00 0.23 O ATOM 614 CB LYS A 41 134.686 -3.621 -8.122 1.00 0.34 C ATOM 615 CG LYS A 41 134.888 -3.753 -9.664 1.00 0.48 C ATOM 616 CD LYS A 41 135.127 -5.211 -10.077 1.00 0.74 C ATOM 617 CE LYS A 41 135.177 -5.291 -11.605 1.00 0.71 C ATOM 618 NZ LYS A 41 135.517 -6.679 -12.024 1.00 1.56 N ATOM 0 H LYS A 41 133.325 -1.110 -8.382 1.00 0.28 H new ATOM 0 HA LYS A 41 132.560 -3.987 -7.969 1.00 0.28 H new ATOM 0 HB2 LYS A 41 135.402 -2.904 -7.720 1.00 0.34 H new ATOM 0 HB3 LYS A 41 134.891 -4.579 -7.644 1.00 0.34 H new ATOM 0 HG2 LYS A 41 134.010 -3.366 -10.181 1.00 0.48 H new ATOM 0 HG3 LYS A 41 135.736 -3.142 -9.975 1.00 0.48 H new ATOM 0 HD2 LYS A 41 136.061 -5.576 -9.650 1.00 0.74 H new ATOM 0 HD3 LYS A 41 134.330 -5.847 -9.692 1.00 0.74 H new ATOM 0 HE2 LYS A 41 134.215 -4.999 -12.026 1.00 0.71 H new ATOM 0 HE3 LYS A 41 135.919 -4.592 -11.991 1.00 0.71 H new ATOM 0 HZ1 LYS A 41 135.550 -6.730 -13.062 1.00 1.56 H new ATOM 0 HZ2 LYS A 41 136.445 -6.942 -11.635 1.00 1.56 H new ATOM 0 HZ3 LYS A 41 134.794 -7.336 -11.668 1.00 1.56 H new ATOM 632 N ALA A 42 132.999 -3.725 -5.426 1.00 0.21 N ATOM 633 CA ALA A 42 132.899 -3.424 -3.963 1.00 0.20 C ATOM 634 C ALA A 42 134.220 -2.875 -3.390 1.00 0.18 C ATOM 635 O ALA A 42 134.209 -1.997 -2.550 1.00 0.18 O ATOM 636 CB ALA A 42 132.522 -4.711 -3.219 1.00 0.21 C ATOM 0 H ALA A 42 132.906 -4.712 -5.667 1.00 0.21 H new ATOM 0 HA ALA A 42 132.137 -2.656 -3.828 1.00 0.20 H new ATOM 0 HB1 ALA A 42 132.446 -4.505 -2.151 1.00 0.21 H new ATOM 0 HB2 ALA A 42 131.563 -5.077 -3.587 1.00 0.21 H new ATOM 0 HB3 ALA A 42 133.288 -5.467 -3.389 1.00 0.21 H new ATOM 642 N TYR A 43 135.351 -3.399 -3.785 1.00 0.19 N ATOM 643 CA TYR A 43 136.634 -2.908 -3.187 1.00 0.18 C ATOM 644 C TYR A 43 136.846 -1.412 -3.452 1.00 0.17 C ATOM 645 O TYR A 43 137.601 -0.766 -2.753 1.00 0.17 O ATOM 646 CB TYR A 43 137.836 -3.727 -3.686 1.00 0.20 C ATOM 647 CG TYR A 43 138.088 -3.515 -5.160 1.00 0.21 C ATOM 648 CD1 TYR A 43 138.708 -2.333 -5.612 1.00 0.21 C ATOM 649 CD2 TYR A 43 137.737 -4.519 -6.082 1.00 0.24 C ATOM 650 CE1 TYR A 43 138.970 -2.156 -6.985 1.00 0.25 C ATOM 651 CE2 TYR A 43 137.998 -4.341 -7.451 1.00 0.28 C ATOM 652 CZ TYR A 43 138.615 -3.160 -7.904 1.00 0.28 C ATOM 653 OH TYR A 43 138.871 -2.987 -9.249 1.00 0.32 O ATOM 0 H TYR A 43 135.445 -4.135 -4.485 1.00 0.19 H new ATOM 0 HA TYR A 43 136.558 -3.046 -2.109 1.00 0.18 H new ATOM 0 HB2 TYR A 43 138.726 -3.447 -3.122 1.00 0.20 H new ATOM 0 HB3 TYR A 43 137.658 -4.786 -3.497 1.00 0.20 H new ATOM 0 HD1 TYR A 43 138.982 -1.563 -4.906 1.00 0.21 H new ATOM 0 HD2 TYR A 43 137.266 -5.428 -5.737 1.00 0.24 H new ATOM 0 HE1 TYR A 43 139.443 -1.249 -7.332 1.00 0.25 H new ATOM 0 HE2 TYR A 43 137.725 -5.112 -8.157 1.00 0.28 H new ATOM 0 HH TYR A 43 138.564 -3.775 -9.744 1.00 0.32 H new ATOM 663 N VAL A 44 136.182 -0.835 -4.417 1.00 0.18 N ATOM 664 CA VAL A 44 136.365 0.632 -4.645 1.00 0.18 C ATOM 665 C VAL A 44 135.531 1.372 -3.593 1.00 0.17 C ATOM 666 O VAL A 44 135.864 2.452 -3.144 1.00 0.18 O ATOM 667 CB VAL A 44 135.881 1.025 -6.050 1.00 0.20 C ATOM 668 CG1 VAL A 44 136.160 2.531 -6.318 1.00 0.22 C ATOM 669 CG2 VAL A 44 136.608 0.166 -7.091 1.00 0.24 C ATOM 0 H VAL A 44 135.532 -1.303 -5.048 1.00 0.18 H new ATOM 0 HA VAL A 44 137.420 0.893 -4.564 1.00 0.18 H new ATOM 0 HB VAL A 44 134.806 0.856 -6.119 1.00 0.20 H new ATOM 0 HG11 VAL A 44 135.812 2.793 -7.317 1.00 0.22 H new ATOM 0 HG12 VAL A 44 135.634 3.136 -5.580 1.00 0.22 H new ATOM 0 HG13 VAL A 44 137.231 2.721 -6.246 1.00 0.22 H new ATOM 0 HG21 VAL A 44 136.269 0.440 -8.090 1.00 0.24 H new ATOM 0 HG22 VAL A 44 137.682 0.333 -7.014 1.00 0.24 H new ATOM 0 HG23 VAL A 44 136.390 -0.887 -6.910 1.00 0.24 H new ATOM 679 N VAL A 45 134.445 0.760 -3.201 1.00 0.17 N ATOM 680 CA VAL A 45 133.543 1.361 -2.175 1.00 0.17 C ATOM 681 C VAL A 45 134.195 1.176 -0.813 1.00 0.16 C ATOM 682 O VAL A 45 134.178 2.056 0.024 1.00 0.16 O ATOM 683 CB VAL A 45 132.199 0.613 -2.183 1.00 0.18 C ATOM 684 CG1 VAL A 45 131.206 1.265 -1.172 1.00 0.22 C ATOM 685 CG2 VAL A 45 131.621 0.584 -3.631 1.00 0.20 C ATOM 0 H VAL A 45 134.140 -0.147 -3.555 1.00 0.17 H new ATOM 0 HA VAL A 45 133.377 2.417 -2.387 1.00 0.17 H new ATOM 0 HB VAL A 45 132.354 -0.417 -1.863 1.00 0.18 H new ATOM 0 HG11 VAL A 45 130.260 0.724 -1.190 1.00 0.22 H new ATOM 0 HG12 VAL A 45 131.629 1.223 -0.168 1.00 0.22 H new ATOM 0 HG13 VAL A 45 131.034 2.305 -1.450 1.00 0.22 H new ATOM 0 HG21 VAL A 45 130.669 0.053 -3.632 1.00 0.20 H new ATOM 0 HG22 VAL A 45 131.468 1.604 -3.982 1.00 0.20 H new ATOM 0 HG23 VAL A 45 132.322 0.074 -4.292 1.00 0.20 H new ATOM 695 N LEU A 46 134.788 0.041 -0.593 1.00 0.17 N ATOM 696 CA LEU A 46 135.460 -0.195 0.704 1.00 0.18 C ATOM 697 C LEU A 46 136.540 0.870 0.845 1.00 0.17 C ATOM 698 O LEU A 46 136.749 1.425 1.902 1.00 0.18 O ATOM 699 CB LEU A 46 136.077 -1.607 0.708 1.00 0.22 C ATOM 700 CG LEU A 46 136.796 -1.910 2.044 1.00 0.25 C ATOM 701 CD1 LEU A 46 135.770 -2.312 3.123 1.00 0.40 C ATOM 702 CD2 LEU A 46 137.829 -3.055 1.841 1.00 0.35 C ATOM 0 H LEU A 46 134.835 -0.732 -1.257 1.00 0.17 H new ATOM 0 HA LEU A 46 134.761 -0.133 1.538 1.00 0.18 H new ATOM 0 HB2 LEU A 46 135.295 -2.347 0.539 1.00 0.22 H new ATOM 0 HB3 LEU A 46 136.785 -1.698 -0.116 1.00 0.22 H new ATOM 0 HG LEU A 46 137.318 -1.012 2.374 1.00 0.25 H new ATOM 0 HD11 LEU A 46 136.289 -2.523 4.058 1.00 0.40 H new ATOM 0 HD12 LEU A 46 135.064 -1.496 3.276 1.00 0.40 H new ATOM 0 HD13 LEU A 46 135.231 -3.202 2.799 1.00 0.40 H new ATOM 0 HD21 LEU A 46 138.332 -3.263 2.786 1.00 0.35 H new ATOM 0 HD22 LEU A 46 137.314 -3.953 1.498 1.00 0.35 H new ATOM 0 HD23 LEU A 46 138.566 -2.753 1.097 1.00 0.35 H new ATOM 714 N GLY A 47 137.212 1.173 -0.230 1.00 0.17 N ATOM 715 CA GLY A 47 138.269 2.214 -0.178 1.00 0.18 C ATOM 716 C GLY A 47 137.667 3.515 0.357 1.00 0.18 C ATOM 717 O GLY A 47 138.262 4.193 1.169 1.00 0.18 O ATOM 0 H GLY A 47 137.073 0.742 -1.144 1.00 0.17 H new ATOM 0 HA2 GLY A 47 139.087 1.887 0.464 1.00 0.18 H new ATOM 0 HA3 GLY A 47 138.688 2.374 -1.172 1.00 0.18 H new ATOM 721 N GLN A 48 136.484 3.866 -0.080 1.00 0.17 N ATOM 722 CA GLN A 48 135.843 5.117 0.422 1.00 0.18 C ATOM 723 C GLN A 48 135.660 5.017 1.942 1.00 0.17 C ATOM 724 O GLN A 48 135.924 5.949 2.675 1.00 0.18 O ATOM 725 CB GLN A 48 134.476 5.284 -0.247 1.00 0.19 C ATOM 726 CG GLN A 48 133.907 6.666 0.079 1.00 0.22 C ATOM 727 CD GLN A 48 134.736 7.742 -0.623 1.00 0.28 C ATOM 728 OE1 GLN A 48 134.904 7.707 -1.826 1.00 0.98 O ATOM 729 NE2 GLN A 48 135.264 8.705 0.082 1.00 1.09 N ATOM 0 H GLN A 48 135.936 3.341 -0.761 1.00 0.17 H new ATOM 0 HA GLN A 48 136.473 5.975 0.187 1.00 0.18 H new ATOM 0 HB2 GLN A 48 134.572 5.165 -1.326 1.00 0.19 H new ATOM 0 HB3 GLN A 48 133.794 4.508 0.100 1.00 0.19 H new ATOM 0 HG2 GLN A 48 132.867 6.727 -0.242 1.00 0.22 H new ATOM 0 HG3 GLN A 48 133.918 6.830 1.157 1.00 0.22 H new ATOM 0 HE21 GLN A 48 135.123 8.734 1.092 1.00 1.09 H new ATOM 0 HE22 GLN A 48 135.818 9.428 -0.377 1.00 1.09 H new ATOM 738 N PHE A 49 135.214 3.883 2.414 1.00 0.17 N ATOM 739 CA PHE A 49 135.015 3.695 3.882 1.00 0.17 C ATOM 740 C PHE A 49 136.363 3.893 4.584 1.00 0.18 C ATOM 741 O PHE A 49 136.454 4.487 5.639 1.00 0.19 O ATOM 742 CB PHE A 49 134.490 2.274 4.123 1.00 0.17 C ATOM 743 CG PHE A 49 134.270 2.031 5.598 1.00 0.19 C ATOM 744 CD1 PHE A 49 133.212 2.678 6.264 1.00 0.23 C ATOM 745 CD2 PHE A 49 135.107 1.144 6.303 1.00 0.28 C ATOM 746 CE1 PHE A 49 132.991 2.440 7.634 1.00 0.26 C ATOM 747 CE2 PHE A 49 134.888 0.907 7.673 1.00 0.31 C ATOM 748 CZ PHE A 49 133.829 1.555 8.339 1.00 0.26 C ATOM 0 H PHE A 49 134.977 3.073 1.842 1.00 0.17 H new ATOM 0 HA PHE A 49 134.297 4.414 4.276 1.00 0.17 H new ATOM 0 HB2 PHE A 49 133.555 2.129 3.582 1.00 0.17 H new ATOM 0 HB3 PHE A 49 135.201 1.547 3.731 1.00 0.17 H new ATOM 0 HD1 PHE A 49 132.569 3.357 5.724 1.00 0.23 H new ATOM 0 HD2 PHE A 49 135.917 0.645 5.792 1.00 0.28 H new ATOM 0 HE1 PHE A 49 132.179 2.936 8.144 1.00 0.26 H new ATOM 0 HE2 PHE A 49 135.532 0.229 8.214 1.00 0.31 H new ATOM 0 HZ PHE A 49 133.660 1.373 9.390 1.00 0.26 H new ATOM 758 N LEU A 50 137.402 3.398 3.988 1.00 0.19 N ATOM 759 CA LEU A 50 138.753 3.550 4.602 1.00 0.21 C ATOM 760 C LEU A 50 139.155 5.027 4.562 1.00 0.21 C ATOM 761 O LEU A 50 139.758 5.540 5.483 1.00 0.23 O ATOM 762 CB LEU A 50 139.772 2.709 3.824 1.00 0.23 C ATOM 763 CG LEU A 50 139.384 1.219 3.875 1.00 0.23 C ATOM 764 CD1 LEU A 50 140.341 0.397 2.970 1.00 0.28 C ATOM 765 CD2 LEU A 50 139.445 0.719 5.332 1.00 0.28 C ATOM 0 H LEU A 50 137.381 2.893 3.102 1.00 0.19 H new ATOM 0 HA LEU A 50 138.730 3.206 5.636 1.00 0.21 H new ATOM 0 HB2 LEU A 50 139.816 3.045 2.788 1.00 0.23 H new ATOM 0 HB3 LEU A 50 140.767 2.848 4.247 1.00 0.23 H new ATOM 0 HG LEU A 50 138.366 1.092 3.506 1.00 0.23 H new ATOM 0 HD11 LEU A 50 140.063 -0.656 3.009 1.00 0.28 H new ATOM 0 HD12 LEU A 50 140.267 0.754 1.943 1.00 0.28 H new ATOM 0 HD13 LEU A 50 141.366 0.515 3.322 1.00 0.28 H new ATOM 0 HD21 LEU A 50 139.170 -0.335 5.367 1.00 0.28 H new ATOM 0 HD22 LEU A 50 140.457 0.843 5.717 1.00 0.28 H new ATOM 0 HD23 LEU A 50 138.751 1.295 5.944 1.00 0.28 H new ATOM 777 N VAL A 51 138.835 5.708 3.503 1.00 0.21 N ATOM 778 CA VAL A 51 139.203 7.150 3.398 1.00 0.23 C ATOM 779 C VAL A 51 138.433 7.973 4.444 1.00 0.23 C ATOM 780 O VAL A 51 138.886 9.013 4.879 1.00 0.24 O ATOM 781 CB VAL A 51 138.882 7.654 1.987 1.00 0.25 C ATOM 782 CG1 VAL A 51 139.034 9.177 1.924 1.00 0.28 C ATOM 783 CG2 VAL A 51 139.854 7.013 0.994 1.00 0.27 C ATOM 0 H VAL A 51 138.332 5.330 2.700 1.00 0.21 H new ATOM 0 HA VAL A 51 140.270 7.264 3.588 1.00 0.23 H new ATOM 0 HB VAL A 51 137.856 7.386 1.736 1.00 0.25 H new ATOM 0 HG11 VAL A 51 138.804 9.524 0.917 1.00 0.28 H new ATOM 0 HG12 VAL A 51 138.349 9.641 2.633 1.00 0.28 H new ATOM 0 HG13 VAL A 51 140.058 9.451 2.177 1.00 0.28 H new ATOM 0 HG21 VAL A 51 139.632 7.367 -0.013 1.00 0.27 H new ATOM 0 HG22 VAL A 51 140.876 7.286 1.257 1.00 0.27 H new ATOM 0 HG23 VAL A 51 139.748 5.929 1.029 1.00 0.27 H new ATOM 793 N LEU A 52 137.268 7.527 4.842 1.00 0.22 N ATOM 794 CA LEU A 52 136.468 8.302 5.846 1.00 0.23 C ATOM 795 C LEU A 52 136.835 7.873 7.269 1.00 0.23 C ATOM 796 O LEU A 52 136.151 8.212 8.214 1.00 0.24 O ATOM 797 CB LEU A 52 134.977 8.044 5.632 1.00 0.24 C ATOM 798 CG LEU A 52 134.528 8.530 4.242 1.00 0.25 C ATOM 799 CD1 LEU A 52 133.041 8.119 4.006 1.00 0.31 C ATOM 800 CD2 LEU A 52 134.699 10.066 4.148 1.00 0.27 C ATOM 0 H LEU A 52 136.835 6.662 4.518 1.00 0.22 H new ATOM 0 HA LEU A 52 136.690 9.361 5.714 1.00 0.23 H new ATOM 0 HB2 LEU A 52 134.770 6.979 5.733 1.00 0.24 H new ATOM 0 HB3 LEU A 52 134.401 8.555 6.404 1.00 0.24 H new ATOM 0 HG LEU A 52 135.143 8.068 3.470 1.00 0.25 H new ATOM 0 HD11 LEU A 52 132.720 8.462 3.022 1.00 0.31 H new ATOM 0 HD12 LEU A 52 132.951 7.034 4.059 1.00 0.31 H new ATOM 0 HD13 LEU A 52 132.412 8.574 4.771 1.00 0.31 H new ATOM 0 HD21 LEU A 52 134.381 10.408 3.163 1.00 0.27 H new ATOM 0 HD22 LEU A 52 134.090 10.547 4.914 1.00 0.27 H new ATOM 0 HD23 LEU A 52 135.747 10.326 4.301 1.00 0.27 H new ATOM 812 N LYS A 53 137.902 7.152 7.446 1.00 0.22 N ATOM 813 CA LYS A 53 138.291 6.736 8.824 1.00 0.23 C ATOM 814 C LYS A 53 137.077 6.164 9.566 1.00 0.24 C ATOM 815 O LYS A 53 136.916 6.364 10.753 1.00 0.30 O ATOM 816 CB LYS A 53 138.822 7.955 9.577 1.00 0.29 C ATOM 817 CG LYS A 53 140.046 8.499 8.841 1.00 0.38 C ATOM 818 CD LYS A 53 140.593 9.720 9.580 1.00 0.49 C ATOM 819 CE LYS A 53 141.591 10.448 8.678 1.00 0.90 C ATOM 820 NZ LYS A 53 142.114 11.653 9.382 1.00 1.70 N ATOM 0 H LYS A 53 138.522 6.832 6.702 1.00 0.22 H new ATOM 0 HA LYS A 53 139.061 5.967 8.767 1.00 0.23 H new ATOM 0 HB2 LYS A 53 138.051 8.722 9.643 1.00 0.29 H new ATOM 0 HB3 LYS A 53 139.087 7.681 10.598 1.00 0.29 H new ATOM 0 HG2 LYS A 53 140.814 7.728 8.774 1.00 0.38 H new ATOM 0 HG3 LYS A 53 139.777 8.770 7.820 1.00 0.38 H new ATOM 0 HD2 LYS A 53 139.778 10.389 9.855 1.00 0.49 H new ATOM 0 HD3 LYS A 53 141.079 9.412 10.506 1.00 0.49 H new ATOM 0 HE2 LYS A 53 142.413 9.782 8.416 1.00 0.90 H new ATOM 0 HE3 LYS A 53 141.108 10.740 7.746 1.00 0.90 H new ATOM 0 HZ1 LYS A 53 142.792 12.147 8.768 1.00 1.70 H new ATOM 0 HZ2 LYS A 53 141.325 12.291 9.610 1.00 1.70 H new ATOM 0 HZ3 LYS A 53 142.590 11.363 10.260 1.00 1.70 H new ATOM 834 N LYS A 54 136.229 5.444 8.874 1.00 0.22 N ATOM 835 CA LYS A 54 135.024 4.831 9.514 1.00 0.25 C ATOM 836 C LYS A 54 134.114 5.910 10.114 1.00 0.27 C ATOM 837 O LYS A 54 133.291 5.617 10.957 1.00 0.33 O ATOM 838 CB LYS A 54 135.462 3.885 10.635 1.00 0.35 C ATOM 839 CG LYS A 54 136.589 2.983 10.136 1.00 0.67 C ATOM 840 CD LYS A 54 137.003 2.026 11.255 1.00 0.83 C ATOM 841 CE LYS A 54 138.286 1.293 10.857 1.00 1.41 C ATOM 842 NZ LYS A 54 138.466 0.102 11.734 1.00 2.24 N ATOM 0 H LYS A 54 136.323 5.252 7.877 1.00 0.22 H new ATOM 0 HA LYS A 54 134.475 4.285 8.747 1.00 0.25 H new ATOM 0 HB2 LYS A 54 135.798 4.459 11.498 1.00 0.35 H new ATOM 0 HB3 LYS A 54 134.617 3.280 10.964 1.00 0.35 H new ATOM 0 HG2 LYS A 54 136.260 2.419 9.263 1.00 0.67 H new ATOM 0 HG3 LYS A 54 137.442 3.586 9.823 1.00 0.67 H new ATOM 0 HD2 LYS A 54 137.161 2.580 12.181 1.00 0.83 H new ATOM 0 HD3 LYS A 54 136.206 1.307 11.446 1.00 0.83 H new ATOM 0 HE2 LYS A 54 138.233 0.985 9.813 1.00 1.41 H new ATOM 0 HE3 LYS A 54 139.143 1.960 10.950 1.00 1.41 H new ATOM 0 HZ1 LYS A 54 139.337 -0.398 11.466 1.00 2.24 H new ATOM 0 HZ2 LYS A 54 138.534 0.408 12.726 1.00 2.24 H new ATOM 0 HZ3 LYS A 54 137.652 -0.536 11.624 1.00 2.24 H new ATOM 856 N ASP A 55 134.212 7.139 9.688 1.00 0.29 N ATOM 857 CA ASP A 55 133.290 8.163 10.262 1.00 0.39 C ATOM 858 C ASP A 55 131.869 7.784 9.826 1.00 0.37 C ATOM 859 O ASP A 55 131.514 7.885 8.669 1.00 0.37 O ATOM 860 CB ASP A 55 133.663 9.562 9.730 1.00 0.46 C ATOM 861 CG ASP A 55 134.626 10.262 10.699 1.00 1.18 C ATOM 862 OD1 ASP A 55 134.426 10.141 11.897 1.00 1.80 O ATOM 863 OD2 ASP A 55 135.544 10.910 10.225 1.00 1.55 O ATOM 0 H ASP A 55 134.872 7.474 8.986 1.00 0.29 H new ATOM 0 HA ASP A 55 133.362 8.191 11.349 1.00 0.39 H new ATOM 0 HB2 ASP A 55 134.126 9.473 8.747 1.00 0.46 H new ATOM 0 HB3 ASP A 55 132.762 10.163 9.605 1.00 0.46 H new ATOM 868 N GLU A 56 131.067 7.319 10.744 1.00 0.38 N ATOM 869 CA GLU A 56 129.679 6.893 10.403 1.00 0.37 C ATOM 870 C GLU A 56 128.832 8.050 9.857 1.00 0.38 C ATOM 871 O GLU A 56 128.065 7.878 8.933 1.00 0.37 O ATOM 872 CB GLU A 56 129.021 6.334 11.667 1.00 0.39 C ATOM 873 CG GLU A 56 127.595 5.887 11.352 1.00 0.41 C ATOM 874 CD GLU A 56 127.031 5.108 12.540 1.00 0.62 C ATOM 875 OE1 GLU A 56 127.745 4.956 13.517 1.00 0.87 O ATOM 876 OE2 GLU A 56 125.893 4.676 12.454 1.00 0.85 O ATOM 0 H GLU A 56 131.317 7.215 11.727 1.00 0.38 H new ATOM 0 HA GLU A 56 129.736 6.137 9.620 1.00 0.37 H new ATOM 0 HB2 GLU A 56 129.600 5.493 12.048 1.00 0.39 H new ATOM 0 HB3 GLU A 56 129.010 7.093 12.449 1.00 0.39 H new ATOM 0 HG2 GLU A 56 126.969 6.754 11.142 1.00 0.41 H new ATOM 0 HG3 GLU A 56 127.587 5.264 10.458 1.00 0.41 H new ATOM 883 N ASP A 57 128.948 9.220 10.418 1.00 0.40 N ATOM 884 CA ASP A 57 128.126 10.366 9.925 1.00 0.41 C ATOM 885 C ASP A 57 128.609 10.795 8.540 1.00 0.40 C ATOM 886 O ASP A 57 127.823 11.104 7.666 1.00 0.40 O ATOM 887 CB ASP A 57 128.256 11.540 10.898 1.00 0.45 C ATOM 888 CG ASP A 57 127.538 11.203 12.206 1.00 0.47 C ATOM 889 OD1 ASP A 57 126.697 10.319 12.186 1.00 0.64 O ATOM 890 OD2 ASP A 57 127.842 11.834 13.205 1.00 0.73 O ATOM 0 H ASP A 57 129.574 9.435 11.194 1.00 0.40 H new ATOM 0 HA ASP A 57 127.082 10.058 9.860 1.00 0.41 H new ATOM 0 HB2 ASP A 57 129.308 11.750 11.092 1.00 0.45 H new ATOM 0 HB3 ASP A 57 127.827 12.440 10.457 1.00 0.45 H new ATOM 895 N LEU A 58 129.885 10.806 8.330 1.00 0.40 N ATOM 896 CA LEU A 58 130.395 11.207 6.990 1.00 0.40 C ATOM 897 C LEU A 58 130.048 10.117 5.977 1.00 0.37 C ATOM 898 O LEU A 58 129.667 10.396 4.857 1.00 0.38 O ATOM 899 CB LEU A 58 131.916 11.400 7.031 1.00 0.40 C ATOM 900 CG LEU A 58 132.286 12.515 8.023 1.00 0.47 C ATOM 901 CD1 LEU A 58 133.819 12.645 8.105 1.00 0.45 C ATOM 902 CD2 LEU A 58 131.677 13.855 7.560 1.00 0.55 C ATOM 0 H LEU A 58 130.597 10.558 9.017 1.00 0.40 H new ATOM 0 HA LEU A 58 129.931 12.150 6.700 1.00 0.40 H new ATOM 0 HB2 LEU A 58 132.400 10.468 7.324 1.00 0.40 H new ATOM 0 HB3 LEU A 58 132.284 11.652 6.037 1.00 0.40 H new ATOM 0 HG LEU A 58 131.889 12.264 9.007 1.00 0.47 H new ATOM 0 HD11 LEU A 58 134.080 13.436 8.808 1.00 0.45 H new ATOM 0 HD12 LEU A 58 134.247 11.702 8.445 1.00 0.45 H new ATOM 0 HD13 LEU A 58 134.217 12.890 7.120 1.00 0.45 H new ATOM 0 HD21 LEU A 58 131.944 14.640 8.268 1.00 0.55 H new ATOM 0 HD22 LEU A 58 132.065 14.109 6.573 1.00 0.55 H new ATOM 0 HD23 LEU A 58 130.592 13.764 7.511 1.00 0.55 H new ATOM 914 N PHE A 59 130.161 8.878 6.365 1.00 0.36 N ATOM 915 CA PHE A 59 129.819 7.772 5.428 1.00 0.35 C ATOM 916 C PHE A 59 128.333 7.818 5.073 1.00 0.35 C ATOM 917 O PHE A 59 127.957 7.744 3.920 1.00 0.35 O ATOM 918 CB PHE A 59 130.143 6.426 6.081 1.00 0.34 C ATOM 919 CG PHE A 59 129.695 5.304 5.171 1.00 0.33 C ATOM 920 CD1 PHE A 59 130.449 4.985 4.026 1.00 0.35 C ATOM 921 CD2 PHE A 59 128.525 4.577 5.469 1.00 0.36 C ATOM 922 CE1 PHE A 59 130.034 3.939 3.178 1.00 0.36 C ATOM 923 CE2 PHE A 59 128.110 3.532 4.622 1.00 0.38 C ATOM 924 CZ PHE A 59 128.864 3.213 3.476 1.00 0.36 C ATOM 0 H PHE A 59 130.475 8.583 7.290 1.00 0.36 H new ATOM 0 HA PHE A 59 130.406 7.890 4.517 1.00 0.35 H new ATOM 0 HB2 PHE A 59 131.214 6.350 6.270 1.00 0.34 H new ATOM 0 HB3 PHE A 59 129.642 6.348 7.046 1.00 0.34 H new ATOM 0 HD1 PHE A 59 131.346 5.542 3.797 1.00 0.35 H new ATOM 0 HD2 PHE A 59 127.947 4.822 6.348 1.00 0.36 H new ATOM 0 HE1 PHE A 59 130.613 3.694 2.300 1.00 0.36 H new ATOM 0 HE2 PHE A 59 127.214 2.975 4.851 1.00 0.38 H new ATOM 0 HZ PHE A 59 128.545 2.412 2.826 1.00 0.36 H new ATOM 934 N ARG A 60 127.480 7.905 6.060 1.00 0.37 N ATOM 935 CA ARG A 60 126.021 7.914 5.776 1.00 0.38 C ATOM 936 C ARG A 60 125.657 9.109 4.900 1.00 0.39 C ATOM 937 O ARG A 60 124.907 8.979 3.953 1.00 0.39 O ATOM 938 CB ARG A 60 125.242 7.953 7.097 1.00 0.42 C ATOM 939 CG ARG A 60 125.411 6.597 7.796 1.00 0.43 C ATOM 940 CD ARG A 60 124.593 6.526 9.106 1.00 0.50 C ATOM 941 NE ARG A 60 124.174 7.893 9.536 1.00 1.31 N ATOM 942 CZ ARG A 60 123.362 8.031 10.549 1.00 1.55 C ATOM 943 NH1 ARG A 60 123.027 6.985 11.256 1.00 1.16 N ATOM 944 NH2 ARG A 60 122.907 9.210 10.875 1.00 2.64 N ATOM 0 H ARG A 60 127.733 7.970 7.046 1.00 0.37 H new ATOM 0 HA ARG A 60 125.755 7.006 5.235 1.00 0.38 H new ATOM 0 HB2 ARG A 60 125.613 8.757 7.733 1.00 0.42 H new ATOM 0 HB3 ARG A 60 124.187 8.155 6.910 1.00 0.42 H new ATOM 0 HG2 ARG A 60 125.094 5.799 7.125 1.00 0.43 H new ATOM 0 HG3 ARG A 60 126.465 6.429 8.015 1.00 0.43 H new ATOM 0 HD2 ARG A 60 123.713 5.899 8.959 1.00 0.50 H new ATOM 0 HD3 ARG A 60 125.190 6.059 9.889 1.00 0.50 H new ATOM 0 HE ARG A 60 124.520 8.715 9.041 1.00 1.31 H new ATOM 0 HH11 ARG A 60 123.399 6.066 11.016 1.00 1.16 H new ATOM 0 HH12 ARG A 60 122.393 7.087 12.049 1.00 1.16 H new ATOM 0 HH21 ARG A 60 123.185 10.031 10.337 1.00 2.64 H new ATOM 0 HH22 ARG A 60 122.273 9.311 11.668 1.00 2.64 H new ATOM 958 N GLU A 61 126.173 10.272 5.185 1.00 0.41 N ATOM 959 CA GLU A 61 125.832 11.438 4.333 1.00 0.44 C ATOM 960 C GLU A 61 126.406 11.192 2.930 1.00 0.42 C ATOM 961 O GLU A 61 125.794 11.517 1.942 1.00 0.42 O ATOM 962 CB GLU A 61 126.427 12.722 4.962 1.00 0.48 C ATOM 963 CG GLU A 61 125.448 13.902 4.834 1.00 1.29 C ATOM 964 CD GLU A 61 125.941 15.065 5.697 1.00 1.76 C ATOM 965 OE1 GLU A 61 126.260 14.826 6.851 1.00 2.32 O ATOM 966 OE2 GLU A 61 125.987 16.175 5.193 1.00 2.37 O ATOM 0 H GLU A 61 126.807 10.462 5.961 1.00 0.41 H new ATOM 0 HA GLU A 61 124.752 11.566 4.260 1.00 0.44 H new ATOM 0 HB2 GLU A 61 126.654 12.545 6.013 1.00 0.48 H new ATOM 0 HB3 GLU A 61 127.368 12.970 4.470 1.00 0.48 H new ATOM 0 HG2 GLU A 61 125.371 14.214 3.792 1.00 1.29 H new ATOM 0 HG3 GLU A 61 124.450 13.597 5.150 1.00 1.29 H new ATOM 973 N TRP A 62 127.563 10.600 2.837 1.00 0.40 N ATOM 974 CA TRP A 62 128.153 10.330 1.490 1.00 0.38 C ATOM 975 C TRP A 62 127.263 9.383 0.677 1.00 0.36 C ATOM 976 O TRP A 62 126.977 9.626 -0.477 1.00 0.36 O ATOM 977 CB TRP A 62 129.545 9.693 1.646 1.00 0.38 C ATOM 978 CG TRP A 62 130.012 9.168 0.317 1.00 0.36 C ATOM 979 CD1 TRP A 62 130.643 9.892 -0.638 1.00 0.38 C ATOM 980 CD2 TRP A 62 129.864 7.820 -0.221 1.00 0.34 C ATOM 981 NE1 TRP A 62 130.900 9.073 -1.726 1.00 0.37 N ATOM 982 CE2 TRP A 62 130.440 7.786 -1.520 1.00 0.35 C ATOM 983 CE3 TRP A 62 129.293 6.629 0.289 1.00 0.32 C ATOM 984 CZ2 TRP A 62 130.448 6.610 -2.288 1.00 0.34 C ATOM 985 CZ3 TRP A 62 129.301 5.446 -0.480 1.00 0.31 C ATOM 986 CH2 TRP A 62 129.878 5.437 -1.765 1.00 0.32 C ATOM 0 H TRP A 62 128.126 10.291 3.629 1.00 0.40 H new ATOM 0 HA TRP A 62 128.232 11.281 0.963 1.00 0.38 H new ATOM 0 HB2 TRP A 62 130.253 10.430 2.026 1.00 0.38 H new ATOM 0 HB3 TRP A 62 129.506 8.883 2.375 1.00 0.38 H new ATOM 0 HD1 TRP A 62 130.903 10.937 -0.564 1.00 0.38 H new ATOM 0 HE1 TRP A 62 131.372 9.382 -2.576 1.00 0.37 H new ATOM 0 HE3 TRP A 62 128.848 6.626 1.273 1.00 0.32 H new ATOM 0 HZ2 TRP A 62 130.889 6.607 -3.274 1.00 0.34 H new ATOM 0 HZ3 TRP A 62 128.863 4.543 -0.081 1.00 0.31 H new ATOM 0 HH2 TRP A 62 129.882 4.528 -2.348 1.00 0.32 H new ATOM 997 N LEU A 63 126.839 8.303 1.261 1.00 0.34 N ATOM 998 CA LEU A 63 125.989 7.340 0.507 1.00 0.32 C ATOM 999 C LEU A 63 124.637 7.972 0.181 1.00 0.33 C ATOM 1000 O LEU A 63 124.153 7.887 -0.930 1.00 0.32 O ATOM 1001 CB LEU A 63 125.779 6.084 1.365 1.00 0.31 C ATOM 1002 CG LEU A 63 124.879 5.070 0.640 1.00 0.31 C ATOM 1003 CD1 LEU A 63 125.524 4.641 -0.690 1.00 0.30 C ATOM 1004 CD2 LEU A 63 124.680 3.850 1.552 1.00 0.32 C ATOM 0 H LEU A 63 127.042 8.043 2.226 1.00 0.34 H new ATOM 0 HA LEU A 63 126.484 7.074 -0.427 1.00 0.32 H new ATOM 0 HB2 LEU A 63 126.743 5.626 1.589 1.00 0.31 H new ATOM 0 HB3 LEU A 63 125.328 6.361 2.318 1.00 0.31 H new ATOM 0 HG LEU A 63 123.914 5.526 0.418 1.00 0.31 H new ATOM 0 HD11 LEU A 63 124.877 3.923 -1.193 1.00 0.30 H new ATOM 0 HD12 LEU A 63 125.661 5.515 -1.327 1.00 0.30 H new ATOM 0 HD13 LEU A 63 126.492 4.181 -0.493 1.00 0.30 H new ATOM 0 HD21 LEU A 63 124.043 3.121 1.051 1.00 0.32 H new ATOM 0 HD22 LEU A 63 125.647 3.397 1.770 1.00 0.32 H new ATOM 0 HD23 LEU A 63 124.208 4.165 2.483 1.00 0.32 H new ATOM 1016 N LYS A 64 124.020 8.596 1.140 1.00 0.35 N ATOM 1017 CA LYS A 64 122.694 9.222 0.888 1.00 0.37 C ATOM 1018 C LYS A 64 122.804 10.314 -0.181 1.00 0.39 C ATOM 1019 O LYS A 64 122.040 10.348 -1.125 1.00 0.39 O ATOM 1020 CB LYS A 64 122.139 9.821 2.179 1.00 0.41 C ATOM 1021 CG LYS A 64 120.757 10.412 1.892 1.00 0.43 C ATOM 1022 CD LYS A 64 120.086 10.842 3.200 1.00 0.68 C ATOM 1023 CE LYS A 64 118.815 11.657 2.895 1.00 1.25 C ATOM 1024 NZ LYS A 64 117.792 11.385 3.942 1.00 2.11 N ATOM 0 H LYS A 64 124.376 8.701 2.090 1.00 0.35 H new ATOM 0 HA LYS A 64 122.015 8.448 0.530 1.00 0.37 H new ATOM 0 HB2 LYS A 64 122.069 9.055 2.951 1.00 0.41 H new ATOM 0 HB3 LYS A 64 122.809 10.593 2.556 1.00 0.41 H new ATOM 0 HG2 LYS A 64 120.851 11.268 1.224 1.00 0.43 H new ATOM 0 HG3 LYS A 64 120.137 9.675 1.381 1.00 0.43 H new ATOM 0 HD2 LYS A 64 119.832 9.964 3.794 1.00 0.68 H new ATOM 0 HD3 LYS A 64 120.778 11.439 3.794 1.00 0.68 H new ATOM 0 HE2 LYS A 64 119.050 12.721 2.867 1.00 1.25 H new ATOM 0 HE3 LYS A 64 118.426 11.391 1.912 1.00 1.25 H new ATOM 0 HZ1 LYS A 64 116.933 11.934 3.739 1.00 2.11 H new ATOM 0 HZ2 LYS A 64 117.562 10.371 3.947 1.00 2.11 H new ATOM 0 HZ3 LYS A 64 118.166 11.660 4.873 1.00 2.11 H new ATOM 1038 N ASP A 65 123.740 11.215 -0.038 1.00 0.41 N ATOM 1039 CA ASP A 65 123.877 12.307 -1.049 1.00 0.45 C ATOM 1040 C ASP A 65 124.339 11.703 -2.378 1.00 0.43 C ATOM 1041 O ASP A 65 124.106 12.255 -3.435 1.00 0.46 O ATOM 1042 CB ASP A 65 124.905 13.364 -0.552 1.00 0.49 C ATOM 1043 CG ASP A 65 124.251 14.745 -0.421 1.00 1.17 C ATOM 1044 OD1 ASP A 65 123.458 15.088 -1.281 1.00 1.90 O ATOM 1045 OD2 ASP A 65 124.558 15.434 0.539 1.00 1.42 O ATOM 0 H ASP A 65 124.412 11.243 0.729 1.00 0.41 H new ATOM 0 HA ASP A 65 122.915 12.800 -1.190 1.00 0.45 H new ATOM 0 HB2 ASP A 65 125.311 13.057 0.412 1.00 0.49 H new ATOM 0 HB3 ASP A 65 125.742 13.418 -1.248 1.00 0.49 H new ATOM 1050 N THR A 66 125.020 10.592 -2.333 1.00 0.40 N ATOM 1051 CA THR A 66 125.528 9.980 -3.590 1.00 0.39 C ATOM 1052 C THR A 66 124.420 9.230 -4.333 1.00 0.39 C ATOM 1053 O THR A 66 124.407 9.222 -5.548 1.00 0.41 O ATOM 1054 CB THR A 66 126.667 9.010 -3.262 1.00 0.38 C ATOM 1055 OG1 THR A 66 127.751 9.731 -2.694 1.00 0.37 O ATOM 1056 CG2 THR A 66 127.132 8.315 -4.542 1.00 0.39 C ATOM 0 H THR A 66 125.246 10.082 -1.479 1.00 0.40 H new ATOM 0 HA THR A 66 125.890 10.781 -4.235 1.00 0.39 H new ATOM 0 HB THR A 66 126.314 8.262 -2.552 1.00 0.38 H new ATOM 0 HG1 THR A 66 127.851 9.482 -1.751 1.00 0.37 H new ATOM 0 HG21 THR A 66 127.943 7.625 -4.307 1.00 0.39 H new ATOM 0 HG22 THR A 66 126.300 7.763 -4.979 1.00 0.39 H new ATOM 0 HG23 THR A 66 127.485 9.061 -5.253 1.00 0.39 H new ATOM 1064 N CYS A 67 123.513 8.564 -3.648 1.00 0.37 N ATOM 1065 CA CYS A 67 122.448 7.786 -4.369 1.00 0.38 C ATOM 1066 C CYS A 67 121.049 8.076 -3.819 1.00 0.37 C ATOM 1067 O CYS A 67 120.070 7.993 -4.534 1.00 0.40 O ATOM 1068 CB CYS A 67 122.738 6.294 -4.206 1.00 0.37 C ATOM 1069 SG CYS A 67 122.440 5.805 -2.489 1.00 0.36 S ATOM 0 H CYS A 67 123.464 8.526 -2.630 1.00 0.37 H new ATOM 0 HA CYS A 67 122.465 8.084 -5.417 1.00 0.38 H new ATOM 0 HB2 CYS A 67 122.103 5.714 -4.876 1.00 0.37 H new ATOM 0 HB3 CYS A 67 123.771 6.081 -4.482 1.00 0.37 H new ATOM 0 HG CYS A 67 123.084 6.605 -1.692 1.00 0.36 H new ATOM 1075 N GLY A 68 120.939 8.397 -2.552 1.00 0.36 N ATOM 1076 CA GLY A 68 119.595 8.674 -1.949 1.00 0.36 C ATOM 1077 C GLY A 68 119.212 7.514 -1.025 1.00 0.34 C ATOM 1078 O GLY A 68 118.070 7.376 -0.631 1.00 0.34 O ATOM 0 H GLY A 68 121.725 8.480 -1.907 1.00 0.36 H new ATOM 0 HA2 GLY A 68 119.620 9.609 -1.389 1.00 0.36 H new ATOM 0 HA3 GLY A 68 118.848 8.792 -2.734 1.00 0.36 H new ATOM 1082 N ALA A 69 120.154 6.682 -0.667 1.00 0.33 N ATOM 1083 CA ALA A 69 119.836 5.541 0.240 1.00 0.32 C ATOM 1084 C ALA A 69 119.109 6.068 1.479 1.00 0.31 C ATOM 1085 O ALA A 69 119.267 7.211 1.861 1.00 0.32 O ATOM 1086 CB ALA A 69 121.134 4.849 0.665 1.00 0.32 C ATOM 0 H ALA A 69 121.128 6.743 -0.963 1.00 0.33 H new ATOM 0 HA ALA A 69 119.199 4.826 -0.281 1.00 0.32 H new ATOM 0 HB1 ALA A 69 120.902 4.015 1.328 1.00 0.32 H new ATOM 0 HB2 ALA A 69 121.654 4.477 -0.218 1.00 0.32 H new ATOM 0 HB3 ALA A 69 121.772 5.562 1.188 1.00 0.32 H new ATOM 1092 N ASN A 70 118.309 5.250 2.112 1.00 0.30 N ATOM 1093 CA ASN A 70 117.567 5.713 3.325 1.00 0.30 C ATOM 1094 C ASN A 70 118.400 5.442 4.582 1.00 0.30 C ATOM 1095 O ASN A 70 119.436 4.809 4.538 1.00 0.29 O ATOM 1096 CB ASN A 70 116.228 4.954 3.428 1.00 0.30 C ATOM 1097 CG ASN A 70 115.140 5.668 2.617 1.00 1.06 C ATOM 1098 OD1 ASN A 70 115.355 6.744 2.095 1.00 1.90 O ATOM 1099 ND2 ASN A 70 113.965 5.111 2.500 1.00 1.77 N ATOM 0 H ASN A 70 118.137 4.281 1.842 1.00 0.30 H new ATOM 0 HA ASN A 70 117.379 6.783 3.242 1.00 0.30 H new ATOM 0 HB2 ASN A 70 116.352 3.935 3.062 1.00 0.30 H new ATOM 0 HB3 ASN A 70 115.923 4.883 4.472 1.00 0.30 H new ATOM 0 HD21 ASN A 70 113.229 5.579 1.971 1.00 1.77 H new ATOM 0 HD22 ASN A 70 113.783 4.208 2.938 1.00 1.77 H new ATOM 1106 N ALA A 71 117.940 5.928 5.701 1.00 0.32 N ATOM 1107 CA ALA A 71 118.673 5.725 6.979 1.00 0.34 C ATOM 1108 C ALA A 71 118.804 4.229 7.278 1.00 0.32 C ATOM 1109 O ALA A 71 119.763 3.794 7.876 1.00 0.32 O ATOM 1110 CB ALA A 71 117.898 6.397 8.114 1.00 0.39 C ATOM 0 H ALA A 71 117.076 6.464 5.784 1.00 0.32 H new ATOM 0 HA ALA A 71 119.668 6.162 6.894 1.00 0.34 H new ATOM 0 HB1 ALA A 71 118.430 6.252 9.054 1.00 0.39 H new ATOM 0 HB2 ALA A 71 117.806 7.464 7.910 1.00 0.39 H new ATOM 0 HB3 ALA A 71 116.904 5.955 8.188 1.00 0.39 H new ATOM 1116 N LYS A 72 117.838 3.443 6.889 1.00 0.30 N ATOM 1117 CA LYS A 72 117.900 1.977 7.182 1.00 0.29 C ATOM 1118 C LYS A 72 118.989 1.305 6.348 1.00 0.27 C ATOM 1119 O LYS A 72 119.732 0.469 6.825 1.00 0.27 O ATOM 1120 CB LYS A 72 116.538 1.344 6.805 1.00 0.29 C ATOM 1121 CG LYS A 72 115.691 1.050 8.043 1.00 1.18 C ATOM 1122 CD LYS A 72 114.372 0.407 7.586 1.00 1.29 C ATOM 1123 CE LYS A 72 113.354 0.347 8.745 1.00 2.11 C ATOM 1124 NZ LYS A 72 112.882 -1.057 8.905 1.00 2.58 N ATOM 0 H LYS A 72 117.008 3.749 6.381 1.00 0.30 H new ATOM 0 HA LYS A 72 118.123 1.836 8.240 1.00 0.29 H new ATOM 0 HB2 LYS A 72 115.994 2.018 6.143 1.00 0.29 H new ATOM 0 HB3 LYS A 72 116.706 0.420 6.251 1.00 0.29 H new ATOM 0 HG2 LYS A 72 116.225 0.381 8.718 1.00 1.18 H new ATOM 0 HG3 LYS A 72 115.494 1.969 8.595 1.00 1.18 H new ATOM 0 HD2 LYS A 72 113.952 0.979 6.758 1.00 1.29 H new ATOM 0 HD3 LYS A 72 114.564 -0.599 7.214 1.00 1.29 H new ATOM 0 HE2 LYS A 72 113.815 0.697 9.669 1.00 2.11 H new ATOM 0 HE3 LYS A 72 112.511 1.006 8.540 1.00 2.11 H new ATOM 0 HZ1 LYS A 72 112.195 -1.106 9.685 1.00 2.58 H new ATOM 0 HZ2 LYS A 72 112.429 -1.373 8.024 1.00 2.58 H new ATOM 0 HZ3 LYS A 72 113.692 -1.673 9.118 1.00 2.58 H new ATOM 1138 N GLN A 73 119.048 1.624 5.095 1.00 0.26 N ATOM 1139 CA GLN A 73 120.030 0.968 4.208 1.00 0.25 C ATOM 1140 C GLN A 73 121.449 1.412 4.538 1.00 0.25 C ATOM 1141 O GLN A 73 122.393 0.669 4.354 1.00 0.25 O ATOM 1142 CB GLN A 73 119.652 1.281 2.766 1.00 0.26 C ATOM 1143 CG GLN A 73 118.194 0.844 2.573 1.00 0.29 C ATOM 1144 CD GLN A 73 117.823 0.862 1.097 1.00 1.24 C ATOM 1145 OE1 GLN A 73 118.140 1.794 0.395 1.00 2.12 O ATOM 1146 NE2 GLN A 73 117.138 -0.135 0.604 1.00 1.88 N ATOM 0 H GLN A 73 118.452 2.318 4.643 1.00 0.26 H new ATOM 0 HA GLN A 73 120.009 -0.112 4.356 1.00 0.25 H new ATOM 0 HB2 GLN A 73 119.765 2.346 2.561 1.00 0.26 H new ATOM 0 HB3 GLN A 73 120.307 0.752 2.073 1.00 0.26 H new ATOM 0 HG2 GLN A 73 118.052 -0.158 2.978 1.00 0.29 H new ATOM 0 HG3 GLN A 73 117.532 1.509 3.128 1.00 0.29 H new ATOM 0 HE21 GLN A 73 116.874 -0.918 1.202 1.00 1.88 H new ATOM 0 HE22 GLN A 73 116.867 -0.131 -0.379 1.00 1.88 H new ATOM 1155 N SER A 74 121.624 2.603 5.040 1.00 0.26 N ATOM 1156 CA SER A 74 122.994 3.049 5.389 1.00 0.27 C ATOM 1157 C SER A 74 123.477 2.248 6.608 1.00 0.26 C ATOM 1158 O SER A 74 124.632 1.882 6.699 1.00 0.26 O ATOM 1159 CB SER A 74 122.975 4.560 5.703 1.00 0.30 C ATOM 1160 OG SER A 74 121.762 5.119 5.218 1.00 1.36 O ATOM 0 H SER A 74 120.882 3.279 5.221 1.00 0.26 H new ATOM 0 HA SER A 74 123.675 2.877 4.555 1.00 0.27 H new ATOM 0 HB2 SER A 74 123.061 4.722 6.777 1.00 0.30 H new ATOM 0 HB3 SER A 74 123.829 5.052 5.237 1.00 0.30 H new ATOM 0 HG SER A 74 121.742 6.079 5.415 1.00 1.36 H new ATOM 1166 N ARG A 75 122.600 1.969 7.548 1.00 0.27 N ATOM 1167 CA ARG A 75 123.012 1.191 8.754 1.00 0.28 C ATOM 1168 C ARG A 75 123.533 -0.180 8.340 1.00 0.26 C ATOM 1169 O ARG A 75 124.480 -0.685 8.910 1.00 0.27 O ATOM 1170 CB ARG A 75 121.822 0.994 9.692 1.00 0.30 C ATOM 1171 CG ARG A 75 121.443 2.317 10.352 1.00 0.33 C ATOM 1172 CD ARG A 75 120.366 2.046 11.400 1.00 0.61 C ATOM 1173 NE ARG A 75 119.983 3.327 12.056 1.00 1.34 N ATOM 1174 CZ ARG A 75 118.977 3.357 12.884 1.00 1.81 C ATOM 1175 NH1 ARG A 75 118.358 2.249 13.193 1.00 1.88 N ATOM 1176 NH2 ARG A 75 118.601 4.486 13.418 1.00 2.80 N ATOM 0 H ARG A 75 121.619 2.248 7.528 1.00 0.27 H new ATOM 0 HA ARG A 75 123.796 1.749 9.266 1.00 0.28 H new ATOM 0 HB2 ARG A 75 120.972 0.601 9.134 1.00 0.30 H new ATOM 0 HB3 ARG A 75 122.070 0.257 10.456 1.00 0.30 H new ATOM 0 HG2 ARG A 75 122.317 2.772 10.817 1.00 0.33 H new ATOM 0 HG3 ARG A 75 121.076 3.021 9.605 1.00 0.33 H new ATOM 0 HD2 ARG A 75 119.494 1.589 10.932 1.00 0.61 H new ATOM 0 HD3 ARG A 75 120.736 1.340 12.144 1.00 0.61 H new ATOM 0 HE ARG A 75 120.507 4.179 11.858 1.00 1.34 H new ATOM 0 HH11 ARG A 75 118.662 1.364 12.787 1.00 1.88 H new ATOM 0 HH12 ARG A 75 117.570 2.268 13.841 1.00 1.88 H new ATOM 0 HH21 ARG A 75 119.095 5.348 13.188 1.00 2.80 H new ATOM 0 HH22 ARG A 75 117.813 4.506 14.066 1.00 2.80 H new ATOM 1190 N ASP A 76 122.915 -0.813 7.384 1.00 0.25 N ATOM 1191 CA ASP A 76 123.357 -2.169 6.971 1.00 0.24 C ATOM 1192 C ASP A 76 124.732 -2.094 6.317 1.00 0.23 C ATOM 1193 O ASP A 76 125.579 -2.934 6.546 1.00 0.23 O ATOM 1194 CB ASP A 76 122.346 -2.751 5.981 1.00 0.24 C ATOM 1195 CG ASP A 76 121.042 -3.074 6.716 1.00 0.25 C ATOM 1196 OD1 ASP A 76 121.084 -3.201 7.928 1.00 0.40 O ATOM 1197 OD2 ASP A 76 120.024 -3.188 6.053 1.00 0.39 O ATOM 0 H ASP A 76 122.116 -0.444 6.868 1.00 0.25 H new ATOM 0 HA ASP A 76 123.419 -2.810 7.850 1.00 0.24 H new ATOM 0 HB2 ASP A 76 122.157 -2.040 5.177 1.00 0.24 H new ATOM 0 HB3 ASP A 76 122.749 -3.653 5.520 1.00 0.24 H new ATOM 1202 N CYS A 77 124.977 -1.095 5.517 1.00 0.22 N ATOM 1203 CA CYS A 77 126.311 -0.981 4.874 1.00 0.22 C ATOM 1204 C CYS A 77 127.369 -0.637 5.928 1.00 0.22 C ATOM 1205 O CYS A 77 128.474 -1.138 5.886 1.00 0.21 O ATOM 1206 CB CYS A 77 126.268 0.118 3.812 1.00 0.23 C ATOM 1207 SG CYS A 77 125.357 -0.480 2.366 1.00 0.24 S ATOM 0 H CYS A 77 124.314 -0.357 5.282 1.00 0.22 H new ATOM 0 HA CYS A 77 126.570 -1.931 4.407 1.00 0.22 H new ATOM 0 HB2 CYS A 77 125.788 1.010 4.215 1.00 0.23 H new ATOM 0 HB3 CYS A 77 127.281 0.403 3.526 1.00 0.23 H new ATOM 0 HG CYS A 77 125.402 -1.779 2.331 1.00 0.24 H new ATOM 1213 N PHE A 78 127.060 0.223 6.863 1.00 0.23 N ATOM 1214 CA PHE A 78 128.085 0.585 7.883 1.00 0.25 C ATOM 1215 C PHE A 78 128.518 -0.662 8.652 1.00 0.24 C ATOM 1216 O PHE A 78 129.673 -1.037 8.646 1.00 0.23 O ATOM 1217 CB PHE A 78 127.497 1.610 8.858 1.00 0.29 C ATOM 1218 CG PHE A 78 128.516 1.934 9.926 1.00 0.32 C ATOM 1219 CD1 PHE A 78 129.438 2.980 9.726 1.00 0.36 C ATOM 1220 CD2 PHE A 78 128.541 1.194 11.124 1.00 0.38 C ATOM 1221 CE1 PHE A 78 130.384 3.285 10.724 1.00 0.41 C ATOM 1222 CE2 PHE A 78 129.487 1.498 12.121 1.00 0.43 C ATOM 1223 CZ PHE A 78 130.409 2.544 11.921 1.00 0.43 C ATOM 0 H PHE A 78 126.156 0.684 6.964 1.00 0.23 H new ATOM 0 HA PHE A 78 128.952 1.014 7.382 1.00 0.25 H new ATOM 0 HB2 PHE A 78 127.215 2.517 8.323 1.00 0.29 H new ATOM 0 HB3 PHE A 78 126.590 1.214 9.314 1.00 0.29 H new ATOM 0 HD1 PHE A 78 129.420 3.548 8.808 1.00 0.36 H new ATOM 0 HD2 PHE A 78 127.834 0.393 11.278 1.00 0.38 H new ATOM 0 HE1 PHE A 78 131.090 4.087 10.571 1.00 0.41 H new ATOM 0 HE2 PHE A 78 129.506 0.929 13.039 1.00 0.43 H new ATOM 0 HZ PHE A 78 131.135 2.778 12.686 1.00 0.43 H new ATOM 1233 N GLY A 79 127.601 -1.302 9.322 1.00 0.25 N ATOM 1234 CA GLY A 79 127.956 -2.520 10.103 1.00 0.26 C ATOM 1235 C GLY A 79 128.502 -3.608 9.174 1.00 0.24 C ATOM 1236 O GLY A 79 129.348 -4.391 9.551 1.00 0.24 O ATOM 0 H GLY A 79 126.618 -1.033 9.363 1.00 0.25 H new ATOM 0 HA2 GLY A 79 128.701 -2.271 10.859 1.00 0.26 H new ATOM 0 HA3 GLY A 79 127.077 -2.891 10.631 1.00 0.26 H new ATOM 1240 N CYS A 80 128.026 -3.667 7.964 1.00 0.22 N ATOM 1241 CA CYS A 80 128.527 -4.715 7.028 1.00 0.22 C ATOM 1242 C CYS A 80 129.973 -4.414 6.625 1.00 0.22 C ATOM 1243 O CYS A 80 130.832 -5.272 6.685 1.00 0.23 O ATOM 1244 CB CYS A 80 127.654 -4.747 5.775 1.00 0.22 C ATOM 1245 SG CYS A 80 128.374 -5.893 4.574 1.00 0.25 S ATOM 0 H CYS A 80 127.317 -3.041 7.582 1.00 0.22 H new ATOM 0 HA CYS A 80 128.486 -5.682 7.530 1.00 0.22 H new ATOM 0 HB2 CYS A 80 126.642 -5.059 6.031 1.00 0.22 H new ATOM 0 HB3 CYS A 80 127.580 -3.749 5.344 1.00 0.22 H new ATOM 0 HG CYS A 80 128.268 -5.393 3.379 1.00 0.25 H new ATOM 1251 N LEU A 81 130.256 -3.205 6.227 1.00 0.21 N ATOM 1252 CA LEU A 81 131.659 -2.879 5.840 1.00 0.21 C ATOM 1253 C LEU A 81 132.539 -2.874 7.091 1.00 0.22 C ATOM 1254 O LEU A 81 133.668 -3.322 7.072 1.00 0.22 O ATOM 1255 CB LEU A 81 131.707 -1.487 5.203 1.00 0.22 C ATOM 1256 CG LEU A 81 130.875 -1.447 3.909 1.00 0.24 C ATOM 1257 CD1 LEU A 81 130.769 0.024 3.408 1.00 0.30 C ATOM 1258 CD2 LEU A 81 131.535 -2.349 2.842 1.00 0.28 C ATOM 0 H LEU A 81 129.588 -2.438 6.153 1.00 0.21 H new ATOM 0 HA LEU A 81 132.018 -3.624 5.130 1.00 0.21 H new ATOM 0 HB2 LEU A 81 131.327 -0.747 5.907 1.00 0.22 H new ATOM 0 HB3 LEU A 81 132.740 -1.218 4.984 1.00 0.22 H new ATOM 0 HG LEU A 81 129.869 -1.821 4.101 1.00 0.24 H new ATOM 0 HD11 LEU A 81 130.180 0.055 2.491 1.00 0.30 H new ATOM 0 HD12 LEU A 81 130.285 0.634 4.171 1.00 0.30 H new ATOM 0 HD13 LEU A 81 131.768 0.414 3.211 1.00 0.30 H new ATOM 0 HD21 LEU A 81 130.945 -2.320 1.926 1.00 0.28 H new ATOM 0 HD22 LEU A 81 132.543 -1.990 2.636 1.00 0.28 H new ATOM 0 HD23 LEU A 81 131.583 -3.374 3.211 1.00 0.28 H new ATOM 1270 N ARG A 82 132.035 -2.351 8.172 1.00 0.22 N ATOM 1271 CA ARG A 82 132.843 -2.292 9.422 1.00 0.24 C ATOM 1272 C ARG A 82 133.187 -3.701 9.912 1.00 0.25 C ATOM 1273 O ARG A 82 134.289 -3.958 10.354 1.00 0.26 O ATOM 1274 CB ARG A 82 132.046 -1.558 10.501 1.00 0.28 C ATOM 1275 CG ARG A 82 132.864 -1.489 11.794 1.00 0.33 C ATOM 1276 CD ARG A 82 132.076 -0.727 12.855 1.00 0.84 C ATOM 1277 NE ARG A 82 132.711 -0.969 14.181 1.00 1.41 N ATOM 1278 CZ ARG A 82 132.328 -0.291 15.224 1.00 1.95 C ATOM 1279 NH1 ARG A 82 131.357 0.574 15.119 1.00 2.25 N ATOM 1280 NH2 ARG A 82 132.907 -0.489 16.376 1.00 2.73 N ATOM 0 H ARG A 82 131.096 -1.960 8.245 1.00 0.22 H new ATOM 0 HA ARG A 82 133.772 -1.761 9.215 1.00 0.24 H new ATOM 0 HB2 ARG A 82 131.799 -0.552 10.162 1.00 0.28 H new ATOM 0 HB3 ARG A 82 131.103 -2.074 10.683 1.00 0.28 H new ATOM 0 HG2 ARG A 82 133.091 -2.495 12.147 1.00 0.33 H new ATOM 0 HG3 ARG A 82 133.817 -0.994 11.608 1.00 0.33 H new ATOM 0 HD2 ARG A 82 132.068 0.339 12.628 1.00 0.84 H new ATOM 0 HD3 ARG A 82 131.038 -1.058 12.866 1.00 0.84 H new ATOM 0 HE ARG A 82 133.448 -1.668 14.272 1.00 1.41 H new ATOM 0 HH11 ARG A 82 130.898 0.719 14.220 1.00 2.25 H new ATOM 0 HH12 ARG A 82 131.057 1.105 15.936 1.00 2.25 H new ATOM 0 HH21 ARG A 82 133.658 -1.174 16.458 1.00 2.73 H new ATOM 0 HH22 ARG A 82 132.608 0.041 17.195 1.00 2.73 H new ATOM 1294 N GLU A 83 132.260 -4.614 9.849 1.00 0.25 N ATOM 1295 CA GLU A 83 132.557 -5.994 10.327 1.00 0.28 C ATOM 1296 C GLU A 83 133.530 -6.687 9.373 1.00 0.27 C ATOM 1297 O GLU A 83 134.400 -7.418 9.803 1.00 0.29 O ATOM 1298 CB GLU A 83 131.266 -6.811 10.467 1.00 0.30 C ATOM 1299 CG GLU A 83 130.488 -6.333 11.702 1.00 0.33 C ATOM 1300 CD GLU A 83 129.309 -7.271 11.962 1.00 1.19 C ATOM 1301 OE1 GLU A 83 129.170 -8.235 11.228 1.00 1.91 O ATOM 1302 OE2 GLU A 83 128.566 -7.012 12.895 1.00 1.56 O ATOM 0 H GLU A 83 131.316 -4.468 9.490 1.00 0.25 H new ATOM 0 HA GLU A 83 133.023 -5.925 11.310 1.00 0.28 H new ATOM 0 HB2 GLU A 83 130.653 -6.699 9.572 1.00 0.30 H new ATOM 0 HB3 GLU A 83 131.502 -7.871 10.561 1.00 0.30 H new ATOM 0 HG2 GLU A 83 131.145 -6.309 12.571 1.00 0.33 H new ATOM 0 HG3 GLU A 83 130.129 -5.316 11.546 1.00 0.33 H new ATOM 1309 N TRP A 84 133.430 -6.456 8.089 1.00 0.25 N ATOM 1310 CA TRP A 84 134.391 -7.099 7.152 1.00 0.25 C ATOM 1311 C TRP A 84 135.804 -6.641 7.526 1.00 0.27 C ATOM 1312 O TRP A 84 136.733 -7.422 7.584 1.00 0.28 O ATOM 1313 CB TRP A 84 134.078 -6.678 5.713 1.00 0.25 C ATOM 1314 CG TRP A 84 134.960 -7.441 4.780 1.00 0.27 C ATOM 1315 CD1 TRP A 84 134.645 -8.633 4.220 1.00 0.30 C ATOM 1316 CD2 TRP A 84 136.293 -7.102 4.302 1.00 0.30 C ATOM 1317 NE1 TRP A 84 135.699 -9.048 3.425 1.00 0.33 N ATOM 1318 CE2 TRP A 84 136.740 -8.142 3.443 1.00 0.32 C ATOM 1319 CE3 TRP A 84 137.155 -6.003 4.527 1.00 0.31 C ATOM 1320 CZ2 TRP A 84 137.998 -8.096 2.829 1.00 0.36 C ATOM 1321 CZ3 TRP A 84 138.424 -5.953 3.911 1.00 0.35 C ATOM 1322 CH2 TRP A 84 138.843 -6.999 3.065 1.00 0.37 C ATOM 0 H TRP A 84 132.730 -5.855 7.654 1.00 0.25 H new ATOM 0 HA TRP A 84 134.313 -8.184 7.223 1.00 0.25 H new ATOM 0 HB2 TRP A 84 133.030 -6.872 5.484 1.00 0.25 H new ATOM 0 HB3 TRP A 84 134.238 -5.607 5.591 1.00 0.25 H new ATOM 0 HD1 TRP A 84 133.721 -9.172 4.370 1.00 0.30 H new ATOM 0 HE1 TRP A 84 135.706 -9.917 2.891 1.00 0.33 H new ATOM 0 HE3 TRP A 84 136.840 -5.198 5.174 1.00 0.31 H new ATOM 0 HZ2 TRP A 84 138.316 -8.898 2.179 1.00 0.36 H new ATOM 0 HZ3 TRP A 84 139.076 -5.110 4.089 1.00 0.35 H new ATOM 0 HH2 TRP A 84 139.816 -6.957 2.597 1.00 0.37 H new ATOM 1333 N CYS A 85 135.963 -5.367 7.773 1.00 0.27 N ATOM 1334 CA CYS A 85 137.307 -4.832 8.141 1.00 0.30 C ATOM 1335 C CYS A 85 137.786 -5.485 9.438 1.00 0.33 C ATOM 1336 O CYS A 85 138.945 -5.817 9.588 1.00 0.36 O ATOM 1337 CB CYS A 85 137.215 -3.315 8.333 1.00 0.33 C ATOM 1338 SG CYS A 85 137.154 -2.507 6.714 1.00 0.33 S ATOM 0 H CYS A 85 135.217 -4.672 7.736 1.00 0.27 H new ATOM 0 HA CYS A 85 138.016 -5.056 7.344 1.00 0.30 H new ATOM 0 HB2 CYS A 85 136.326 -3.064 8.911 1.00 0.33 H new ATOM 0 HB3 CYS A 85 138.075 -2.956 8.899 1.00 0.33 H new ATOM 0 HG CYS A 85 137.074 -1.219 6.874 1.00 0.33 H new ATOM 1344 N ASP A 86 136.902 -5.672 10.376 1.00 0.34 N ATOM 1345 CA ASP A 86 137.304 -6.304 11.662 1.00 0.39 C ATOM 1346 C ASP A 86 137.889 -7.689 11.387 1.00 0.41 C ATOM 1347 O ASP A 86 138.752 -8.163 12.099 1.00 0.43 O ATOM 1348 CB ASP A 86 136.080 -6.438 12.573 1.00 0.41 C ATOM 1349 CG ASP A 86 135.642 -5.052 13.052 1.00 0.42 C ATOM 1350 OD1 ASP A 86 136.455 -4.144 12.997 1.00 0.55 O ATOM 1351 OD2 ASP A 86 134.501 -4.923 13.465 1.00 0.51 O ATOM 0 H ASP A 86 135.917 -5.414 10.308 1.00 0.34 H new ATOM 0 HA ASP A 86 138.053 -5.683 12.152 1.00 0.39 H new ATOM 0 HB2 ASP A 86 135.265 -6.922 12.035 1.00 0.41 H new ATOM 0 HB3 ASP A 86 136.318 -7.071 13.428 1.00 0.41 H new ATOM 1356 N ALA A 87 137.412 -8.352 10.366 1.00 0.41 N ATOM 1357 CA ALA A 87 137.925 -9.720 10.052 1.00 0.43 C ATOM 1358 C ALA A 87 139.076 -9.661 9.039 1.00 0.43 C ATOM 1359 O ALA A 87 139.961 -10.494 9.058 1.00 0.48 O ATOM 1360 CB ALA A 87 136.789 -10.557 9.459 1.00 0.41 C ATOM 0 H ALA A 87 136.689 -8.006 9.735 1.00 0.41 H new ATOM 0 HA ALA A 87 138.294 -10.168 10.974 1.00 0.43 H new ATOM 0 HB1 ALA A 87 137.156 -11.557 9.227 1.00 0.41 H new ATOM 0 HB2 ALA A 87 135.974 -10.628 10.180 1.00 0.41 H new ATOM 0 HB3 ALA A 87 136.426 -10.083 8.547 1.00 0.41 H new ATOM 1366 N PHE A 88 139.038 -8.729 8.114 1.00 0.40 N ATOM 1367 CA PHE A 88 140.099 -8.668 7.047 1.00 0.44 C ATOM 1368 C PHE A 88 141.041 -7.460 7.200 1.00 0.54 C ATOM 1369 O PHE A 88 141.981 -7.319 6.443 1.00 1.24 O ATOM 1370 CB PHE A 88 139.406 -8.573 5.690 1.00 0.41 C ATOM 1371 CG PHE A 88 138.698 -9.871 5.379 1.00 0.39 C ATOM 1372 CD1 PHE A 88 139.430 -10.976 4.901 1.00 0.44 C ATOM 1373 CD2 PHE A 88 137.303 -9.974 5.553 1.00 0.35 C ATOM 1374 CE1 PHE A 88 138.768 -12.181 4.598 1.00 0.47 C ATOM 1375 CE2 PHE A 88 136.642 -11.178 5.246 1.00 0.40 C ATOM 1376 CZ PHE A 88 137.374 -12.281 4.769 1.00 0.45 C ATOM 0 H PHE A 88 138.320 -8.007 8.049 1.00 0.40 H new ATOM 0 HA PHE A 88 140.708 -9.567 7.137 1.00 0.44 H new ATOM 0 HB2 PHE A 88 138.690 -7.751 5.695 1.00 0.41 H new ATOM 0 HB3 PHE A 88 140.138 -8.353 4.913 1.00 0.41 H new ATOM 0 HD1 PHE A 88 140.499 -10.899 4.767 1.00 0.44 H new ATOM 0 HD2 PHE A 88 136.741 -9.129 5.922 1.00 0.35 H new ATOM 0 HE1 PHE A 88 139.330 -13.029 4.234 1.00 0.47 H new ATOM 0 HE2 PHE A 88 135.573 -11.255 5.377 1.00 0.40 H new ATOM 0 HZ PHE A 88 136.866 -13.205 4.534 1.00 0.45 H new ATOM 1386 N LEU A 89 140.822 -6.584 8.148 1.00 0.39 N ATOM 1387 CA LEU A 89 141.739 -5.402 8.293 1.00 0.36 C ATOM 1388 C LEU A 89 141.817 -5.004 9.768 1.00 0.87 C ATOM 1389 O LEU A 89 142.648 -5.560 10.466 1.00 1.43 O ATOM 1390 CB LEU A 89 141.191 -4.229 7.454 1.00 0.74 C ATOM 1391 CG LEU A 89 142.083 -2.966 7.563 1.00 0.47 C ATOM 1392 CD1 LEU A 89 143.350 -3.113 6.710 1.00 1.00 C ATOM 1393 CD2 LEU A 89 141.294 -1.758 7.046 1.00 1.28 C ATOM 1394 OXT LEU A 89 141.049 -4.147 10.172 1.00 1.66 O ATOM 0 H LEU A 89 140.058 -6.631 8.823 1.00 0.39 H new ATOM 0 HA LEU A 89 142.738 -5.658 7.939 1.00 0.36 H new ATOM 0 HB2 LEU A 89 141.120 -4.533 6.410 1.00 0.74 H new ATOM 0 HB3 LEU A 89 140.181 -3.988 7.785 1.00 0.74 H new ATOM 0 HG LEU A 89 142.369 -2.833 8.606 1.00 0.47 H new ATOM 0 HD11 LEU A 89 143.958 -2.213 6.804 1.00 1.00 H new ATOM 0 HD12 LEU A 89 143.922 -3.975 7.053 1.00 1.00 H new ATOM 0 HD13 LEU A 89 143.071 -3.255 5.666 1.00 1.00 H new ATOM 0 HD21 LEU A 89 141.911 -0.863 7.118 1.00 1.28 H new ATOM 0 HD22 LEU A 89 141.015 -1.924 6.006 1.00 1.28 H new ATOM 0 HD23 LEU A 89 140.394 -1.627 7.647 1.00 1.28 H new TER 1406 LEU A 89 ATOM 1407 N MET B 1 168.773 -3.424 -3.991 1.00 3.74 N ATOM 1408 CA MET B 1 168.407 -4.796 -4.446 1.00 3.26 C ATOM 1409 C MET B 1 167.453 -5.421 -3.437 1.00 2.28 C ATOM 1410 O MET B 1 166.324 -5.752 -3.740 1.00 2.68 O ATOM 1411 CB MET B 1 169.670 -5.670 -4.515 1.00 3.75 C ATOM 1412 CG MET B 1 169.328 -7.103 -5.011 1.00 4.33 C ATOM 1413 SD MET B 1 169.919 -7.319 -6.717 1.00 5.04 S ATOM 1414 CE MET B 1 171.197 -8.567 -6.404 1.00 5.66 C ATOM 0 H1 MET B 1 169.425 -2.993 -4.677 1.00 3.74 H new ATOM 0 H2 MET B 1 167.914 -2.842 -3.917 1.00 3.74 H new ATOM 0 H3 MET B 1 169.236 -3.479 -3.061 1.00 3.74 H new ATOM 0 HA MET B 1 167.938 -4.733 -5.428 1.00 3.26 H new ATOM 0 HB2 MET B 1 170.397 -5.213 -5.186 1.00 3.75 H new ATOM 0 HB3 MET B 1 170.134 -5.723 -3.530 1.00 3.75 H new ATOM 0 HG2 MET B 1 169.791 -7.844 -4.359 1.00 4.33 H new ATOM 0 HG3 MET B 1 168.251 -7.267 -4.966 1.00 4.33 H new ATOM 0 HE1 MET B 1 171.682 -8.834 -7.343 1.00 5.66 H new ATOM 0 HE2 MET B 1 171.938 -8.163 -5.714 1.00 5.66 H new ATOM 0 HE3 MET B 1 170.740 -9.454 -5.966 1.00 5.66 H new ATOM 1426 N THR B 2 167.929 -5.613 -2.246 1.00 1.63 N ATOM 1427 CA THR B 2 167.103 -6.251 -1.194 1.00 1.44 C ATOM 1428 C THR B 2 166.215 -5.209 -0.517 1.00 1.17 C ATOM 1429 O THR B 2 166.688 -4.314 0.154 1.00 1.22 O ATOM 1430 CB THR B 2 168.056 -6.879 -0.159 1.00 2.22 C ATOM 1431 OG1 THR B 2 169.250 -6.109 -0.115 1.00 2.78 O ATOM 1432 CG2 THR B 2 168.407 -8.323 -0.556 1.00 3.02 C ATOM 0 H THR B 2 168.870 -5.351 -1.952 1.00 1.63 H new ATOM 0 HA THR B 2 166.460 -7.014 -1.632 1.00 1.44 H new ATOM 0 HB THR B 2 167.568 -6.890 0.816 1.00 2.22 H new ATOM 0 HG1 THR B 2 169.865 -6.497 0.542 1.00 2.78 H new ATOM 0 HG21 THR B 2 169.081 -8.751 0.186 1.00 3.02 H new ATOM 0 HG22 THR B 2 167.496 -8.919 -0.605 1.00 3.02 H new ATOM 0 HG23 THR B 2 168.894 -8.324 -1.531 1.00 3.02 H new ATOM 1440 N THR B 3 164.928 -5.342 -0.658 1.00 0.96 N ATOM 1441 CA THR B 3 164.020 -4.385 0.014 1.00 0.76 C ATOM 1442 C THR B 3 164.290 -4.495 1.513 1.00 0.69 C ATOM 1443 O THR B 3 164.592 -5.561 2.011 1.00 0.75 O ATOM 1444 CB THR B 3 162.562 -4.757 -0.294 1.00 0.69 C ATOM 1445 OG1 THR B 3 162.286 -6.038 0.255 1.00 0.80 O ATOM 1446 CG2 THR B 3 162.330 -4.796 -1.818 1.00 0.76 C ATOM 0 H THR B 3 164.470 -6.069 -1.207 1.00 0.96 H new ATOM 0 HA THR B 3 164.189 -3.366 -0.333 1.00 0.76 H new ATOM 0 HB THR B 3 161.902 -4.009 0.144 1.00 0.69 H new ATOM 0 HG1 THR B 3 161.500 -6.421 -0.187 1.00 0.80 H new ATOM 0 HG21 THR B 3 161.292 -5.061 -2.021 1.00 0.76 H new ATOM 0 HG22 THR B 3 162.544 -3.816 -2.244 1.00 0.76 H new ATOM 0 HG23 THR B 3 162.989 -5.539 -2.267 1.00 0.76 H new ATOM 1454 N SER B 4 164.217 -3.420 2.240 1.00 0.63 N ATOM 1455 CA SER B 4 164.509 -3.513 3.696 1.00 0.62 C ATOM 1456 C SER B 4 163.574 -4.537 4.340 1.00 0.60 C ATOM 1457 O SER B 4 162.563 -4.919 3.783 1.00 0.58 O ATOM 1458 CB SER B 4 164.318 -2.147 4.353 1.00 0.63 C ATOM 1459 OG SER B 4 162.931 -1.851 4.435 1.00 1.50 O ATOM 0 H SER B 4 163.971 -2.491 1.897 1.00 0.63 H new ATOM 0 HA SER B 4 165.542 -3.831 3.837 1.00 0.62 H new ATOM 0 HB2 SER B 4 164.761 -2.146 5.349 1.00 0.63 H new ATOM 0 HB3 SER B 4 164.831 -1.379 3.775 1.00 0.63 H new ATOM 0 HG SER B 4 162.808 -0.976 4.858 1.00 1.50 H new ATOM 1465 N GLN B 5 163.931 -4.998 5.507 1.00 0.63 N ATOM 1466 CA GLN B 5 163.109 -6.020 6.214 1.00 0.64 C ATOM 1467 C GLN B 5 161.677 -5.527 6.397 1.00 0.60 C ATOM 1468 O GLN B 5 160.768 -6.308 6.601 1.00 0.60 O ATOM 1469 CB GLN B 5 163.722 -6.287 7.590 1.00 0.71 C ATOM 1470 CG GLN B 5 165.036 -7.052 7.432 1.00 1.34 C ATOM 1471 CD GLN B 5 165.761 -7.096 8.778 1.00 1.59 C ATOM 1472 OE1 GLN B 5 166.431 -6.153 9.150 1.00 2.09 O ATOM 1473 NE2 GLN B 5 165.652 -8.155 9.532 1.00 2.18 N ATOM 0 H GLN B 5 164.770 -4.705 6.008 1.00 0.63 H new ATOM 0 HA GLN B 5 163.094 -6.933 5.618 1.00 0.64 H new ATOM 0 HB2 GLN B 5 163.899 -5.345 8.108 1.00 0.71 H new ATOM 0 HB3 GLN B 5 163.027 -6.862 8.202 1.00 0.71 H new ATOM 0 HG2 GLN B 5 164.840 -8.064 7.078 1.00 1.34 H new ATOM 0 HG3 GLN B 5 165.664 -6.568 6.684 1.00 1.34 H new ATOM 0 HE21 GLN B 5 165.090 -8.947 9.221 1.00 2.18 H new ATOM 0 HE22 GLN B 5 166.129 -8.191 10.433 1.00 2.18 H new ATOM 1482 N LYS B 6 161.458 -4.244 6.338 1.00 0.59 N ATOM 1483 CA LYS B 6 160.082 -3.715 6.523 1.00 0.57 C ATOM 1484 C LYS B 6 159.174 -4.237 5.414 1.00 0.51 C ATOM 1485 O LYS B 6 158.028 -4.570 5.645 1.00 0.50 O ATOM 1486 CB LYS B 6 160.127 -2.192 6.485 1.00 0.58 C ATOM 1487 CG LYS B 6 160.881 -1.702 7.719 1.00 0.66 C ATOM 1488 CD LYS B 6 160.947 -0.178 7.718 1.00 0.80 C ATOM 1489 CE LYS B 6 161.704 0.289 8.960 1.00 1.25 C ATOM 1490 NZ LYS B 6 161.879 1.766 8.909 1.00 2.01 N ATOM 0 H LYS B 6 162.175 -3.539 6.169 1.00 0.59 H new ATOM 0 HA LYS B 6 159.687 -4.045 7.484 1.00 0.57 H new ATOM 0 HB2 LYS B 6 160.623 -1.850 5.577 1.00 0.58 H new ATOM 0 HB3 LYS B 6 159.117 -1.783 6.470 1.00 0.58 H new ATOM 0 HG2 LYS B 6 160.383 -2.052 8.623 1.00 0.66 H new ATOM 0 HG3 LYS B 6 161.888 -2.118 7.729 1.00 0.66 H new ATOM 0 HD2 LYS B 6 161.448 0.176 6.817 1.00 0.80 H new ATOM 0 HD3 LYS B 6 159.941 0.242 7.710 1.00 0.80 H new ATOM 0 HE2 LYS B 6 161.156 0.008 9.860 1.00 1.25 H new ATOM 0 HE3 LYS B 6 162.676 -0.201 9.012 1.00 1.25 H new ATOM 0 HZ1 LYS B 6 162.394 2.084 9.755 1.00 2.01 H new ATOM 0 HZ2 LYS B 6 162.419 2.022 8.058 1.00 2.01 H new ATOM 0 HZ3 LYS B 6 160.946 2.225 8.879 1.00 2.01 H new ATOM 1504 N HIS B 7 159.663 -4.306 4.210 1.00 0.49 N ATOM 1505 CA HIS B 7 158.805 -4.798 3.101 1.00 0.45 C ATOM 1506 C HIS B 7 158.258 -6.182 3.447 1.00 0.45 C ATOM 1507 O HIS B 7 157.070 -6.423 3.376 1.00 0.43 O ATOM 1508 CB HIS B 7 159.635 -4.876 1.811 1.00 0.45 C ATOM 1509 CG HIS B 7 158.851 -5.575 0.730 1.00 0.42 C ATOM 1510 ND1 HIS B 7 157.913 -4.917 -0.055 1.00 0.39 N ATOM 1511 CD2 HIS B 7 158.858 -6.878 0.291 1.00 0.45 C ATOM 1512 CE1 HIS B 7 157.401 -5.817 -0.917 1.00 0.38 C ATOM 1513 NE2 HIS B 7 157.943 -7.023 -0.746 1.00 0.42 N ATOM 0 H HIS B 7 160.613 -4.045 3.947 1.00 0.49 H new ATOM 0 HA HIS B 7 157.971 -4.111 2.955 1.00 0.45 H new ATOM 0 HB2 HIS B 7 159.906 -3.873 1.483 1.00 0.45 H new ATOM 0 HB3 HIS B 7 160.565 -5.412 2.000 1.00 0.45 H new ATOM 0 HD2 HIS B 7 159.478 -7.667 0.690 1.00 0.45 H new ATOM 0 HE1 HIS B 7 156.646 -5.590 -1.655 1.00 0.38 H new ATOM 0 HE2 HIS B 7 157.731 -7.874 -1.267 1.00 0.42 H new ATOM 1521 N ARG B 8 159.117 -7.098 3.821 1.00 0.48 N ATOM 1522 CA ARG B 8 158.656 -8.469 4.169 1.00 0.50 C ATOM 1523 C ARG B 8 157.874 -8.463 5.478 1.00 0.51 C ATOM 1524 O ARG B 8 156.941 -9.220 5.658 1.00 0.51 O ATOM 1525 CB ARG B 8 159.858 -9.395 4.327 1.00 0.55 C ATOM 1526 CG ARG B 8 160.560 -9.585 2.972 1.00 0.57 C ATOM 1527 CD ARG B 8 161.338 -10.900 2.977 1.00 1.00 C ATOM 1528 NE ARG B 8 162.373 -10.860 1.912 1.00 1.70 N ATOM 1529 CZ ARG B 8 163.299 -11.773 1.881 1.00 2.29 C ATOM 1530 NH1 ARG B 8 163.271 -12.752 2.743 1.00 2.43 N ATOM 1531 NH2 ARG B 8 164.242 -11.716 0.983 1.00 3.23 N ATOM 0 H ARG B 8 160.123 -6.950 3.899 1.00 0.48 H new ATOM 0 HA ARG B 8 158.010 -8.821 3.365 1.00 0.50 H new ATOM 0 HB2 ARG B 8 160.556 -8.977 5.052 1.00 0.55 H new ATOM 0 HB3 ARG B 8 159.535 -10.360 4.716 1.00 0.55 H new ATOM 0 HG2 ARG B 8 159.825 -9.589 2.168 1.00 0.57 H new ATOM 0 HG3 ARG B 8 161.236 -8.752 2.781 1.00 0.57 H new ATOM 0 HD2 ARG B 8 161.806 -11.056 3.949 1.00 1.00 H new ATOM 0 HD3 ARG B 8 160.661 -11.738 2.811 1.00 1.00 H new ATOM 0 HE ARG B 8 162.358 -10.121 1.209 1.00 1.70 H new ATOM 0 HH11 ARG B 8 162.525 -12.799 3.437 1.00 2.43 H new ATOM 0 HH12 ARG B 8 163.995 -13.470 2.723 1.00 2.43 H new ATOM 0 HH21 ARG B 8 164.254 -10.955 0.304 1.00 3.23 H new ATOM 0 HH22 ARG B 8 164.968 -12.432 0.959 1.00 3.23 H new ATOM 1545 N ASP B 9 158.243 -7.620 6.394 1.00 0.52 N ATOM 1546 CA ASP B 9 157.513 -7.580 7.684 1.00 0.54 C ATOM 1547 C ASP B 9 156.123 -7.001 7.453 1.00 0.49 C ATOM 1548 O ASP B 9 155.162 -7.420 8.051 1.00 0.48 O ATOM 1549 CB ASP B 9 158.267 -6.719 8.696 1.00 0.61 C ATOM 1550 CG ASP B 9 159.553 -7.432 9.120 1.00 0.68 C ATOM 1551 OD1 ASP B 9 159.625 -8.637 8.942 1.00 0.67 O ATOM 1552 OD2 ASP B 9 160.444 -6.761 9.614 1.00 0.76 O ATOM 0 H ASP B 9 159.015 -6.959 6.306 1.00 0.52 H new ATOM 0 HA ASP B 9 157.432 -8.592 8.081 1.00 0.54 H new ATOM 0 HB2 ASP B 9 158.504 -5.749 8.258 1.00 0.61 H new ATOM 0 HB3 ASP B 9 157.640 -6.531 9.567 1.00 0.61 H new ATOM 1557 N PHE B 10 156.008 -6.025 6.597 1.00 0.46 N ATOM 1558 CA PHE B 10 154.673 -5.414 6.356 1.00 0.43 C ATOM 1559 C PHE B 10 153.727 -6.429 5.698 1.00 0.37 C ATOM 1560 O PHE B 10 152.580 -6.552 6.078 1.00 0.36 O ATOM 1561 CB PHE B 10 154.841 -4.193 5.449 1.00 0.45 C ATOM 1562 CG PHE B 10 153.544 -3.426 5.393 1.00 0.43 C ATOM 1563 CD1 PHE B 10 153.285 -2.416 6.341 1.00 0.44 C ATOM 1564 CD2 PHE B 10 152.594 -3.716 4.396 1.00 0.43 C ATOM 1565 CE1 PHE B 10 152.076 -1.698 6.292 1.00 0.44 C ATOM 1566 CE2 PHE B 10 151.384 -2.997 4.346 1.00 0.43 C ATOM 1567 CZ PHE B 10 151.124 -1.988 5.295 1.00 0.43 C ATOM 0 H PHE B 10 156.776 -5.626 6.057 1.00 0.46 H new ATOM 0 HA PHE B 10 154.239 -5.110 7.309 1.00 0.43 H new ATOM 0 HB2 PHE B 10 155.638 -3.553 5.827 1.00 0.45 H new ATOM 0 HB3 PHE B 10 155.133 -4.508 4.447 1.00 0.45 H new ATOM 0 HD1 PHE B 10 154.015 -2.193 7.105 1.00 0.44 H new ATOM 0 HD2 PHE B 10 152.793 -4.490 3.669 1.00 0.43 H new ATOM 0 HE1 PHE B 10 151.878 -0.924 7.019 1.00 0.44 H new ATOM 0 HE2 PHE B 10 150.655 -3.219 3.580 1.00 0.43 H new ATOM 0 HZ PHE B 10 150.196 -1.438 5.258 1.00 0.43 H new ATOM 1577 N VAL B 11 154.189 -7.151 4.712 1.00 0.37 N ATOM 1578 CA VAL B 11 153.306 -8.150 4.031 1.00 0.35 C ATOM 1579 C VAL B 11 153.295 -9.469 4.815 1.00 0.36 C ATOM 1580 O VAL B 11 152.852 -10.485 4.317 1.00 0.37 O ATOM 1581 CB VAL B 11 153.830 -8.410 2.613 1.00 0.37 C ATOM 1582 CG1 VAL B 11 153.873 -7.088 1.818 1.00 0.44 C ATOM 1583 CG2 VAL B 11 155.233 -9.012 2.716 1.00 0.40 C ATOM 0 H VAL B 11 155.140 -7.094 4.347 1.00 0.37 H new ATOM 0 HA VAL B 11 152.292 -7.753 3.986 1.00 0.35 H new ATOM 0 HB VAL B 11 153.170 -9.103 2.091 1.00 0.37 H new ATOM 0 HG11 VAL B 11 154.246 -7.280 0.812 1.00 0.44 H new ATOM 0 HG12 VAL B 11 152.870 -6.666 1.758 1.00 0.44 H new ATOM 0 HG13 VAL B 11 154.534 -6.382 2.321 1.00 0.44 H new ATOM 0 HG21 VAL B 11 155.621 -9.203 1.716 1.00 0.40 H new ATOM 0 HG22 VAL B 11 155.891 -8.314 3.233 1.00 0.40 H new ATOM 0 HG23 VAL B 11 155.187 -9.948 3.273 1.00 0.40 H new ATOM 1593 N ALA B 12 153.787 -9.464 6.033 1.00 0.41 N ATOM 1594 CA ALA B 12 153.815 -10.721 6.857 1.00 0.47 C ATOM 1595 C ALA B 12 152.853 -10.608 8.046 1.00 0.45 C ATOM 1596 O ALA B 12 152.576 -11.581 8.719 1.00 0.48 O ATOM 1597 CB ALA B 12 155.234 -10.948 7.380 1.00 0.53 C ATOM 0 H ALA B 12 154.172 -8.640 6.495 1.00 0.41 H new ATOM 0 HA ALA B 12 153.505 -11.558 6.231 1.00 0.47 H new ATOM 0 HB1 ALA B 12 155.260 -11.859 7.978 1.00 0.53 H new ATOM 0 HB2 ALA B 12 155.920 -11.047 6.539 1.00 0.53 H new ATOM 0 HB3 ALA B 12 155.535 -10.100 7.996 1.00 0.53 H new ATOM 1603 N GLU B 13 152.332 -9.438 8.312 1.00 0.42 N ATOM 1604 CA GLU B 13 151.382 -9.284 9.459 1.00 0.43 C ATOM 1605 C GLU B 13 150.431 -8.109 9.177 1.00 0.39 C ATOM 1606 O GLU B 13 150.796 -7.179 8.484 1.00 0.36 O ATOM 1607 CB GLU B 13 152.175 -9.004 10.742 1.00 0.46 C ATOM 1608 CG GLU B 13 153.092 -7.806 10.515 1.00 0.48 C ATOM 1609 CD GLU B 13 153.898 -7.521 11.783 1.00 0.62 C ATOM 1610 OE1 GLU B 13 153.683 -8.209 12.767 1.00 1.27 O ATOM 1611 OE2 GLU B 13 154.719 -6.619 11.747 1.00 1.04 O ATOM 0 H GLU B 13 152.521 -8.584 7.788 1.00 0.42 H new ATOM 0 HA GLU B 13 150.804 -10.200 9.582 1.00 0.43 H new ATOM 0 HB2 GLU B 13 151.493 -8.804 11.568 1.00 0.46 H new ATOM 0 HB3 GLU B 13 152.763 -9.879 11.019 1.00 0.46 H new ATOM 0 HG2 GLU B 13 153.766 -8.006 9.682 1.00 0.48 H new ATOM 0 HG3 GLU B 13 152.501 -6.931 10.244 1.00 0.48 H new ATOM 1618 N PRO B 14 149.231 -8.123 9.716 1.00 0.42 N ATOM 1619 CA PRO B 14 148.259 -7.009 9.512 1.00 0.40 C ATOM 1620 C PRO B 14 148.938 -5.635 9.593 1.00 0.36 C ATOM 1621 O PRO B 14 150.015 -5.499 10.139 1.00 0.36 O ATOM 1622 CB PRO B 14 147.264 -7.193 10.661 1.00 0.45 C ATOM 1623 CG PRO B 14 147.257 -8.666 10.933 1.00 0.49 C ATOM 1624 CD PRO B 14 148.658 -9.188 10.569 1.00 0.48 C ATOM 0 HA PRO B 14 147.794 -7.039 8.527 1.00 0.40 H new ATOM 0 HB2 PRO B 14 147.570 -6.630 11.543 1.00 0.45 H new ATOM 0 HB3 PRO B 14 146.271 -6.838 10.385 1.00 0.45 H new ATOM 0 HG2 PRO B 14 147.029 -8.865 11.980 1.00 0.49 H new ATOM 0 HG3 PRO B 14 146.491 -9.166 10.340 1.00 0.49 H new ATOM 0 HD2 PRO B 14 149.265 -9.355 11.459 1.00 0.48 H new ATOM 0 HD3 PRO B 14 148.604 -10.138 10.037 1.00 0.48 H new ATOM 1632 N MET B 15 148.322 -4.613 9.052 1.00 0.35 N ATOM 1633 CA MET B 15 148.944 -3.253 9.100 1.00 0.34 C ATOM 1634 C MET B 15 148.466 -2.503 10.349 1.00 0.35 C ATOM 1635 O MET B 15 149.082 -1.553 10.783 1.00 0.37 O ATOM 1636 CB MET B 15 148.557 -2.465 7.845 1.00 0.36 C ATOM 1637 CG MET B 15 147.062 -2.637 7.560 1.00 0.40 C ATOM 1638 SD MET B 15 146.500 -1.312 6.457 1.00 0.56 S ATOM 1639 CE MET B 15 147.011 -2.056 4.886 1.00 0.42 C ATOM 0 H MET B 15 147.419 -4.661 8.581 1.00 0.35 H new ATOM 0 HA MET B 15 150.028 -3.358 9.141 1.00 0.34 H new ATOM 0 HB2 MET B 15 148.791 -1.409 7.982 1.00 0.36 H new ATOM 0 HB3 MET B 15 149.141 -2.813 6.993 1.00 0.36 H new ATOM 0 HG2 MET B 15 146.878 -3.609 7.102 1.00 0.40 H new ATOM 0 HG3 MET B 15 146.498 -2.612 8.492 1.00 0.40 H new ATOM 0 HE1 MET B 15 147.275 -1.269 4.180 1.00 0.42 H new ATOM 0 HE2 MET B 15 147.875 -2.699 5.052 1.00 0.42 H new ATOM 0 HE3 MET B 15 146.191 -2.648 4.480 1.00 0.42 H new ATOM 1649 N GLY B 16 147.376 -2.920 10.932 1.00 0.36 N ATOM 1650 CA GLY B 16 146.869 -2.234 12.158 1.00 0.39 C ATOM 1651 C GLY B 16 146.814 -0.717 11.944 1.00 0.38 C ATOM 1652 O GLY B 16 146.419 -0.238 10.900 1.00 0.37 O ATOM 0 H GLY B 16 146.812 -3.708 10.613 1.00 0.36 H new ATOM 0 HA2 GLY B 16 145.876 -2.608 12.406 1.00 0.39 H new ATOM 0 HA3 GLY B 16 147.517 -2.464 13.004 1.00 0.39 H new ATOM 1656 N GLU B 17 147.182 0.039 12.951 1.00 0.40 N ATOM 1657 CA GLU B 17 147.132 1.535 12.858 1.00 0.41 C ATOM 1658 C GLU B 17 148.546 2.106 12.720 1.00 0.38 C ATOM 1659 O GLU B 17 148.831 3.192 13.184 1.00 0.39 O ATOM 1660 CB GLU B 17 146.499 2.085 14.138 1.00 0.46 C ATOM 1661 CG GLU B 17 145.022 1.690 14.191 1.00 0.50 C ATOM 1662 CD GLU B 17 144.393 2.242 15.472 1.00 0.55 C ATOM 1663 OE1 GLU B 17 145.136 2.716 16.316 1.00 0.73 O ATOM 1664 OE2 GLU B 17 143.180 2.180 15.589 1.00 0.84 O ATOM 0 H GLU B 17 147.519 -0.320 13.844 1.00 0.40 H new ATOM 0 HA GLU B 17 146.545 1.821 11.985 1.00 0.41 H new ATOM 0 HB2 GLU B 17 147.022 1.694 15.011 1.00 0.46 H new ATOM 0 HB3 GLU B 17 146.597 3.170 14.167 1.00 0.46 H new ATOM 0 HG2 GLU B 17 144.498 2.080 13.318 1.00 0.50 H new ATOM 0 HG3 GLU B 17 144.923 0.605 14.163 1.00 0.50 H new ATOM 1671 N LYS B 18 149.437 1.383 12.104 1.00 0.36 N ATOM 1672 CA LYS B 18 150.832 1.888 11.960 1.00 0.35 C ATOM 1673 C LYS B 18 150.823 3.182 11.126 1.00 0.31 C ATOM 1674 O LYS B 18 149.974 3.367 10.277 1.00 0.30 O ATOM 1675 CB LYS B 18 151.684 0.810 11.268 1.00 0.35 C ATOM 1676 CG LYS B 18 151.808 -0.437 12.185 1.00 0.45 C ATOM 1677 CD LYS B 18 153.220 -1.044 12.097 1.00 1.16 C ATOM 1678 CE LYS B 18 153.391 -2.176 13.138 1.00 1.44 C ATOM 1679 NZ LYS B 18 153.474 -3.485 12.432 1.00 2.02 N ATOM 0 H LYS B 18 149.262 0.466 11.694 1.00 0.36 H new ATOM 0 HA LYS B 18 151.257 2.106 12.940 1.00 0.35 H new ATOM 0 HB2 LYS B 18 151.229 0.529 10.318 1.00 0.35 H new ATOM 0 HB3 LYS B 18 152.674 1.206 11.043 1.00 0.35 H new ATOM 0 HG2 LYS B 18 151.591 -0.158 13.216 1.00 0.45 H new ATOM 0 HG3 LYS B 18 151.068 -1.183 11.894 1.00 0.45 H new ATOM 0 HD2 LYS B 18 153.392 -1.435 11.094 1.00 1.16 H new ATOM 0 HD3 LYS B 18 153.967 -0.269 12.269 1.00 1.16 H new ATOM 0 HE2 LYS B 18 154.292 -2.010 13.728 1.00 1.44 H new ATOM 0 HE3 LYS B 18 152.551 -2.177 13.833 1.00 1.44 H new ATOM 0 HZ1 LYS B 18 153.589 -4.249 13.129 1.00 2.02 H new ATOM 0 HZ2 LYS B 18 152.602 -3.642 11.887 1.00 2.02 H new ATOM 0 HZ3 LYS B 18 154.289 -3.480 11.786 1.00 2.02 H new ATOM 1693 N PRO B 19 151.746 4.088 11.382 1.00 0.31 N ATOM 1694 CA PRO B 19 151.817 5.398 10.657 1.00 0.29 C ATOM 1695 C PRO B 19 152.142 5.244 9.165 1.00 0.25 C ATOM 1696 O PRO B 19 152.741 4.276 8.740 1.00 0.23 O ATOM 1697 CB PRO B 19 152.938 6.165 11.388 1.00 0.32 C ATOM 1698 CG PRO B 19 153.780 5.105 12.021 1.00 0.32 C ATOM 1699 CD PRO B 19 152.824 3.972 12.386 1.00 0.34 C ATOM 0 HA PRO B 19 150.856 5.912 10.673 1.00 0.29 H new ATOM 0 HB2 PRO B 19 153.521 6.770 10.693 1.00 0.32 H new ATOM 0 HB3 PRO B 19 152.529 6.844 12.136 1.00 0.32 H new ATOM 0 HG2 PRO B 19 154.552 4.758 11.334 1.00 0.32 H new ATOM 0 HG3 PRO B 19 154.289 5.487 12.906 1.00 0.32 H new ATOM 0 HD2 PRO B 19 153.316 3.001 12.335 1.00 0.34 H new ATOM 0 HD3 PRO B 19 152.440 4.082 13.400 1.00 0.34 H new ATOM 1707 N VAL B 20 151.742 6.206 8.376 1.00 0.24 N ATOM 1708 CA VAL B 20 152.009 6.148 6.911 1.00 0.22 C ATOM 1709 C VAL B 20 153.499 5.885 6.672 1.00 0.21 C ATOM 1710 O VAL B 20 153.870 5.055 5.866 1.00 0.22 O ATOM 1711 CB VAL B 20 151.577 7.490 6.271 1.00 0.26 C ATOM 1712 CG1 VAL B 20 152.212 8.660 7.036 1.00 0.32 C ATOM 1713 CG2 VAL B 20 151.982 7.566 4.772 1.00 0.28 C ATOM 0 H VAL B 20 151.238 7.036 8.688 1.00 0.24 H new ATOM 0 HA VAL B 20 151.441 5.338 6.454 1.00 0.22 H new ATOM 0 HB VAL B 20 150.491 7.554 6.331 1.00 0.26 H new ATOM 0 HG11 VAL B 20 151.905 9.602 6.581 1.00 0.32 H new ATOM 0 HG12 VAL B 20 151.885 8.635 8.076 1.00 0.32 H new ATOM 0 HG13 VAL B 20 153.298 8.575 6.995 1.00 0.32 H new ATOM 0 HG21 VAL B 20 151.662 8.522 4.357 1.00 0.28 H new ATOM 0 HG22 VAL B 20 153.065 7.475 4.683 1.00 0.28 H new ATOM 0 HG23 VAL B 20 151.503 6.754 4.224 1.00 0.28 H new ATOM 1723 N GLY B 21 154.357 6.607 7.344 1.00 0.22 N ATOM 1724 CA GLY B 21 155.820 6.426 7.134 1.00 0.21 C ATOM 1725 C GLY B 21 156.218 4.965 7.334 1.00 0.19 C ATOM 1726 O GLY B 21 157.360 4.600 7.135 1.00 0.19 O ATOM 0 H GLY B 21 154.104 7.317 8.032 1.00 0.22 H new ATOM 0 HA2 GLY B 21 156.090 6.747 6.128 1.00 0.21 H new ATOM 0 HA3 GLY B 21 156.373 7.057 7.830 1.00 0.21 H new ATOM 1730 N SER B 22 155.305 4.116 7.726 1.00 0.20 N ATOM 1731 CA SER B 22 155.666 2.684 7.929 1.00 0.20 C ATOM 1732 C SER B 22 155.632 1.948 6.584 1.00 0.19 C ATOM 1733 O SER B 22 156.254 0.919 6.416 1.00 0.20 O ATOM 1734 CB SER B 22 154.668 2.042 8.899 1.00 0.23 C ATOM 1735 OG SER B 22 155.266 0.899 9.497 1.00 1.24 O ATOM 0 H SER B 22 154.330 4.351 7.913 1.00 0.20 H new ATOM 0 HA SER B 22 156.671 2.616 8.346 1.00 0.20 H new ATOM 0 HB2 SER B 22 154.377 2.759 9.667 1.00 0.23 H new ATOM 0 HB3 SER B 22 153.760 1.756 8.369 1.00 0.23 H new ATOM 0 HG SER B 22 154.632 0.486 10.119 1.00 1.24 H new ATOM 1741 N LEU B 23 154.908 2.464 5.626 1.00 0.18 N ATOM 1742 CA LEU B 23 154.839 1.783 4.300 1.00 0.18 C ATOM 1743 C LEU B 23 156.221 1.801 3.642 1.00 0.18 C ATOM 1744 O LEU B 23 156.942 2.778 3.700 1.00 0.18 O ATOM 1745 CB LEU B 23 153.841 2.515 3.398 1.00 0.19 C ATOM 1746 CG LEU B 23 152.430 2.463 4.024 1.00 0.21 C ATOM 1747 CD1 LEU B 23 151.487 3.459 3.292 1.00 0.23 C ATOM 1748 CD2 LEU B 23 151.862 1.005 3.957 1.00 0.24 C ATOM 0 H LEU B 23 154.364 3.323 5.704 1.00 0.18 H new ATOM 0 HA LEU B 23 154.515 0.752 4.442 1.00 0.18 H new ATOM 0 HB2 LEU B 23 154.151 3.551 3.264 1.00 0.19 H new ATOM 0 HB3 LEU B 23 153.827 2.056 2.409 1.00 0.19 H new ATOM 0 HG LEU B 23 152.493 2.756 5.072 1.00 0.21 H new ATOM 0 HD11 LEU B 23 150.494 3.416 3.740 1.00 0.23 H new ATOM 0 HD12 LEU B 23 151.883 4.470 3.385 1.00 0.23 H new ATOM 0 HD13 LEU B 23 151.422 3.190 2.238 1.00 0.23 H new ATOM 0 HD21 LEU B 23 150.867 0.981 4.401 1.00 0.24 H new ATOM 0 HD22 LEU B 23 151.803 0.685 2.917 1.00 0.24 H new ATOM 0 HD23 LEU B 23 152.521 0.332 4.506 1.00 0.24 H new ATOM 1760 N ALA B 24 156.584 0.723 3.016 1.00 0.18 N ATOM 1761 CA ALA B 24 157.914 0.662 2.345 1.00 0.19 C ATOM 1762 C ALA B 24 157.962 1.666 1.185 1.00 0.19 C ATOM 1763 O ALA B 24 157.031 1.795 0.415 1.00 0.20 O ATOM 1764 CB ALA B 24 158.150 -0.759 1.814 1.00 0.21 C ATOM 0 H ALA B 24 156.019 -0.123 2.937 1.00 0.18 H new ATOM 0 HA ALA B 24 158.693 0.916 3.063 1.00 0.19 H new ATOM 0 HB1 ALA B 24 159.122 -0.807 1.323 1.00 0.21 H new ATOM 0 HB2 ALA B 24 158.127 -1.466 2.643 1.00 0.21 H new ATOM 0 HB3 ALA B 24 157.369 -1.014 1.098 1.00 0.21 H new ATOM 1770 N GLY B 25 159.057 2.370 1.063 1.00 0.20 N ATOM 1771 CA GLY B 25 159.204 3.370 -0.042 1.00 0.21 C ATOM 1772 C GLY B 25 158.933 4.779 0.489 1.00 0.20 C ATOM 1773 O GLY B 25 159.338 5.759 -0.104 1.00 0.22 O ATOM 0 H GLY B 25 159.862 2.296 1.685 1.00 0.20 H new ATOM 0 HA2 GLY B 25 160.209 3.317 -0.460 1.00 0.21 H new ATOM 0 HA3 GLY B 25 158.510 3.137 -0.849 1.00 0.21 H new ATOM 1777 N ILE B 26 158.257 4.892 1.605 1.00 0.20 N ATOM 1778 CA ILE B 26 157.963 6.244 2.178 1.00 0.21 C ATOM 1779 C ILE B 26 158.956 6.515 3.303 1.00 0.23 C ATOM 1780 O ILE B 26 158.994 5.805 4.289 1.00 0.25 O ATOM 1781 CB ILE B 26 156.528 6.270 2.735 1.00 0.22 C ATOM 1782 CG1 ILE B 26 155.529 5.730 1.688 1.00 0.22 C ATOM 1783 CG2 ILE B 26 156.142 7.703 3.128 1.00 0.24 C ATOM 1784 CD1 ILE B 26 155.294 6.746 0.556 1.00 0.24 C ATOM 0 H ILE B 26 157.895 4.106 2.145 1.00 0.20 H new ATOM 0 HA ILE B 26 158.054 7.007 1.405 1.00 0.21 H new ATOM 0 HB ILE B 26 156.490 5.632 3.618 1.00 0.22 H new ATOM 0 HG12 ILE B 26 155.908 4.798 1.269 1.00 0.22 H new ATOM 0 HG13 ILE B 26 154.581 5.499 2.174 1.00 0.22 H new ATOM 0 HG21 ILE B 26 155.125 7.711 3.521 1.00 0.24 H new ATOM 0 HG22 ILE B 26 156.829 8.069 3.891 1.00 0.24 H new ATOM 0 HG23 ILE B 26 156.197 8.348 2.251 1.00 0.24 H new ATOM 0 HD11 ILE B 26 154.586 6.333 -0.162 1.00 0.24 H new ATOM 0 HD12 ILE B 26 154.891 7.669 0.973 1.00 0.24 H new ATOM 0 HD13 ILE B 26 156.239 6.957 0.054 1.00 0.24 H new ATOM 1796 N GLY B 27 159.765 7.535 3.177 1.00 0.24 N ATOM 1797 CA GLY B 27 160.751 7.842 4.250 1.00 0.27 C ATOM 1798 C GLY B 27 160.132 8.816 5.252 1.00 0.28 C ATOM 1799 O GLY B 27 159.010 9.257 5.100 1.00 0.27 O ATOM 0 H GLY B 27 159.784 8.167 2.377 1.00 0.24 H new ATOM 0 HA2 GLY B 27 161.050 6.924 4.757 1.00 0.27 H new ATOM 0 HA3 GLY B 27 161.653 8.275 3.816 1.00 0.27 H new ATOM 1803 N GLU B 28 160.848 9.126 6.291 1.00 0.30 N ATOM 1804 CA GLU B 28 160.298 10.043 7.327 1.00 0.32 C ATOM 1805 C GLU B 28 159.933 11.399 6.710 1.00 0.32 C ATOM 1806 O GLU B 28 158.926 11.986 7.051 1.00 0.35 O ATOM 1807 CB GLU B 28 161.338 10.236 8.431 1.00 0.36 C ATOM 1808 CG GLU B 28 161.474 8.931 9.220 1.00 0.39 C ATOM 1809 CD GLU B 28 162.512 9.104 10.330 1.00 1.27 C ATOM 1810 OE1 GLU B 28 163.194 10.115 10.325 1.00 2.00 O ATOM 1811 OE2 GLU B 28 162.609 8.219 11.165 1.00 1.64 O ATOM 0 H GLU B 28 161.792 8.785 6.470 1.00 0.30 H new ATOM 0 HA GLU B 28 159.393 9.603 7.746 1.00 0.32 H new ATOM 0 HB2 GLU B 28 162.298 10.517 7.999 1.00 0.36 H new ATOM 0 HB3 GLU B 28 161.037 11.047 9.094 1.00 0.36 H new ATOM 0 HG2 GLU B 28 160.512 8.653 9.649 1.00 0.39 H new ATOM 0 HG3 GLU B 28 161.772 8.121 8.554 1.00 0.39 H new ATOM 1818 N VAL B 29 160.734 11.911 5.814 1.00 0.31 N ATOM 1819 CA VAL B 29 160.401 13.234 5.207 1.00 0.33 C ATOM 1820 C VAL B 29 159.140 13.103 4.350 1.00 0.33 C ATOM 1821 O VAL B 29 158.262 13.943 4.383 1.00 0.35 O ATOM 1822 CB VAL B 29 161.572 13.712 4.332 1.00 0.34 C ATOM 1823 CG1 VAL B 29 161.162 14.980 3.528 1.00 0.38 C ATOM 1824 CG2 VAL B 29 162.780 14.004 5.239 1.00 0.35 C ATOM 0 H VAL B 29 161.594 11.477 5.479 1.00 0.31 H new ATOM 0 HA VAL B 29 160.225 13.960 6.001 1.00 0.33 H new ATOM 0 HB VAL B 29 161.840 12.936 3.614 1.00 0.34 H new ATOM 0 HG11 VAL B 29 162.000 15.308 2.913 1.00 0.38 H new ATOM 0 HG12 VAL B 29 160.312 14.746 2.888 1.00 0.38 H new ATOM 0 HG13 VAL B 29 160.887 15.776 4.220 1.00 0.38 H new ATOM 0 HG21 VAL B 29 163.618 14.344 4.631 1.00 0.35 H new ATOM 0 HG22 VAL B 29 162.516 14.779 5.958 1.00 0.35 H new ATOM 0 HG23 VAL B 29 163.063 13.096 5.771 1.00 0.35 H new ATOM 1834 N LEU B 30 159.050 12.061 3.572 1.00 0.32 N ATOM 1835 CA LEU B 30 157.860 11.870 2.694 1.00 0.33 C ATOM 1836 C LEU B 30 156.629 11.548 3.532 1.00 0.32 C ATOM 1837 O LEU B 30 155.541 12.018 3.264 1.00 0.33 O ATOM 1838 CB LEU B 30 158.127 10.711 1.743 1.00 0.33 C ATOM 1839 CG LEU B 30 159.289 11.074 0.820 1.00 0.35 C ATOM 1840 CD1 LEU B 30 159.663 9.846 -0.007 1.00 0.36 C ATOM 1841 CD2 LEU B 30 158.894 12.249 -0.111 1.00 0.40 C ATOM 0 H LEU B 30 159.755 11.327 3.506 1.00 0.32 H new ATOM 0 HA LEU B 30 157.680 12.788 2.135 1.00 0.33 H new ATOM 0 HB2 LEU B 30 158.364 9.809 2.308 1.00 0.33 H new ATOM 0 HB3 LEU B 30 157.235 10.494 1.156 1.00 0.33 H new ATOM 0 HG LEU B 30 160.145 11.389 1.417 1.00 0.35 H new ATOM 0 HD11 LEU B 30 160.492 10.093 -0.670 1.00 0.36 H new ATOM 0 HD12 LEU B 30 159.960 9.036 0.659 1.00 0.36 H new ATOM 0 HD13 LEU B 30 158.804 9.532 -0.601 1.00 0.36 H new ATOM 0 HD21 LEU B 30 159.733 12.495 -0.762 1.00 0.40 H new ATOM 0 HD22 LEU B 30 158.036 11.960 -0.718 1.00 0.40 H new ATOM 0 HD23 LEU B 30 158.635 13.119 0.492 1.00 0.40 H new ATOM 1853 N GLY B 31 156.789 10.752 4.544 1.00 0.33 N ATOM 1854 CA GLY B 31 155.621 10.409 5.392 1.00 0.34 C ATOM 1855 C GLY B 31 155.063 11.696 5.989 1.00 0.35 C ATOM 1856 O GLY B 31 153.884 11.817 6.256 1.00 0.36 O ATOM 0 H GLY B 31 157.673 10.325 4.821 1.00 0.33 H new ATOM 0 HA2 GLY B 31 154.858 9.904 4.800 1.00 0.34 H new ATOM 0 HA3 GLY B 31 155.917 9.721 6.184 1.00 0.34 H new ATOM 1860 N LYS B 32 155.918 12.655 6.215 1.00 0.35 N ATOM 1861 CA LYS B 32 155.468 13.939 6.814 1.00 0.37 C ATOM 1862 C LYS B 32 154.594 14.724 5.820 1.00 0.37 C ATOM 1863 O LYS B 32 153.615 15.336 6.200 1.00 0.38 O ATOM 1864 CB LYS B 32 156.714 14.758 7.177 1.00 0.40 C ATOM 1865 CG LYS B 32 156.389 15.737 8.304 1.00 1.18 C ATOM 1866 CD LYS B 32 157.644 16.542 8.650 1.00 1.36 C ATOM 1867 CE LYS B 32 157.304 17.612 9.691 1.00 2.07 C ATOM 1868 NZ LYS B 32 158.546 18.016 10.407 1.00 2.75 N ATOM 0 H LYS B 32 156.915 12.602 6.008 1.00 0.35 H new ATOM 0 HA LYS B 32 154.869 13.742 7.703 1.00 0.37 H new ATOM 0 HB2 LYS B 32 157.520 14.092 7.485 1.00 0.40 H new ATOM 0 HB3 LYS B 32 157.068 15.303 6.302 1.00 0.40 H new ATOM 0 HG2 LYS B 32 155.585 16.407 7.999 1.00 1.18 H new ATOM 0 HG3 LYS B 32 156.037 15.195 9.182 1.00 1.18 H new ATOM 0 HD2 LYS B 32 158.418 15.878 9.037 1.00 1.36 H new ATOM 0 HD3 LYS B 32 158.046 17.010 7.752 1.00 1.36 H new ATOM 0 HE2 LYS B 32 156.853 18.477 9.206 1.00 2.07 H new ATOM 0 HE3 LYS B 32 156.571 17.226 10.400 1.00 2.07 H new ATOM 0 HZ1 LYS B 32 158.318 18.743 11.115 1.00 2.75 H new ATOM 0 HZ2 LYS B 32 158.958 17.188 10.882 1.00 2.75 H new ATOM 0 HZ3 LYS B 32 159.231 18.400 9.725 1.00 2.75 H new ATOM 1882 N LYS B 33 154.944 14.739 4.560 1.00 0.35 N ATOM 1883 CA LYS B 33 154.127 15.519 3.582 1.00 0.36 C ATOM 1884 C LYS B 33 152.757 14.857 3.420 1.00 0.34 C ATOM 1885 O LYS B 33 151.741 15.519 3.401 1.00 0.36 O ATOM 1886 CB LYS B 33 154.857 15.561 2.237 1.00 0.36 C ATOM 1887 CG LYS B 33 156.168 16.331 2.417 1.00 0.39 C ATOM 1888 CD LYS B 33 156.982 16.307 1.111 1.00 0.64 C ATOM 1889 CE LYS B 33 158.460 16.705 1.369 1.00 0.66 C ATOM 1890 NZ LYS B 33 158.761 17.985 0.671 1.00 1.56 N ATOM 0 H LYS B 33 155.750 14.251 4.169 1.00 0.35 H new ATOM 0 HA LYS B 33 153.986 16.537 3.944 1.00 0.36 H new ATOM 0 HB2 LYS B 33 155.058 14.550 1.884 1.00 0.36 H new ATOM 0 HB3 LYS B 33 154.235 16.044 1.484 1.00 0.36 H new ATOM 0 HG2 LYS B 33 155.957 17.361 2.704 1.00 0.39 H new ATOM 0 HG3 LYS B 33 156.750 15.888 3.225 1.00 0.39 H new ATOM 0 HD2 LYS B 33 156.942 15.310 0.671 1.00 0.64 H new ATOM 0 HD3 LYS B 33 156.538 16.992 0.389 1.00 0.64 H new ATOM 0 HE2 LYS B 33 158.637 16.812 2.439 1.00 0.66 H new ATOM 0 HE3 LYS B 33 159.126 15.919 1.013 1.00 0.66 H new ATOM 0 HZ1 LYS B 33 159.751 18.251 0.845 1.00 1.56 H new ATOM 0 HZ2 LYS B 33 158.608 17.867 -0.351 1.00 1.56 H new ATOM 0 HZ3 LYS B 33 158.134 18.733 1.031 1.00 1.56 H new ATOM 1904 N LEU B 34 152.711 13.557 3.341 1.00 0.32 N ATOM 1905 CA LEU B 34 151.393 12.873 3.225 1.00 0.31 C ATOM 1906 C LEU B 34 150.583 13.175 4.493 1.00 0.31 C ATOM 1907 O LEU B 34 149.386 13.372 4.458 1.00 0.32 O ATOM 1908 CB LEU B 34 151.604 11.361 3.066 1.00 0.28 C ATOM 1909 CG LEU B 34 152.321 11.063 1.738 1.00 0.29 C ATOM 1910 CD1 LEU B 34 152.889 9.645 1.779 1.00 0.29 C ATOM 1911 CD2 LEU B 34 151.337 11.164 0.559 1.00 0.33 C ATOM 0 H LEU B 34 153.524 12.941 3.352 1.00 0.32 H new ATOM 0 HA LEU B 34 150.852 13.233 2.350 1.00 0.31 H new ATOM 0 HB2 LEU B 34 152.193 10.979 3.900 1.00 0.28 H new ATOM 0 HB3 LEU B 34 150.643 10.847 3.092 1.00 0.28 H new ATOM 0 HG LEU B 34 153.120 11.791 1.603 1.00 0.29 H new ATOM 0 HD11 LEU B 34 153.398 9.430 0.840 1.00 0.29 H new ATOM 0 HD12 LEU B 34 153.597 9.560 2.603 1.00 0.29 H new ATOM 0 HD13 LEU B 34 152.077 8.932 1.924 1.00 0.29 H new ATOM 0 HD21 LEU B 34 151.862 10.950 -0.372 1.00 0.33 H new ATOM 0 HD22 LEU B 34 150.531 10.443 0.695 1.00 0.33 H new ATOM 0 HD23 LEU B 34 150.921 12.170 0.518 1.00 0.33 H new ATOM 1923 N GLU B 35 151.242 13.203 5.614 1.00 0.31 N ATOM 1924 CA GLU B 35 150.521 13.485 6.890 1.00 0.34 C ATOM 1925 C GLU B 35 149.864 14.872 6.805 1.00 0.37 C ATOM 1926 O GLU B 35 148.729 15.055 7.198 1.00 0.39 O ATOM 1927 CB GLU B 35 151.519 13.435 8.050 1.00 0.35 C ATOM 1928 CG GLU B 35 150.793 13.675 9.373 1.00 0.92 C ATOM 1929 CD GLU B 35 151.790 13.555 10.528 1.00 1.02 C ATOM 1930 OE1 GLU B 35 152.390 14.559 10.874 1.00 1.35 O ATOM 1931 OE2 GLU B 35 151.940 12.459 11.043 1.00 1.68 O ATOM 0 H GLU B 35 152.245 13.044 5.706 1.00 0.31 H new ATOM 0 HA GLU B 35 149.745 12.738 7.057 1.00 0.34 H new ATOM 0 HB2 GLU B 35 152.018 12.466 8.070 1.00 0.35 H new ATOM 0 HB3 GLU B 35 152.293 14.189 7.908 1.00 0.35 H new ATOM 0 HG2 GLU B 35 150.334 14.664 9.375 1.00 0.92 H new ATOM 0 HG3 GLU B 35 149.988 12.950 9.496 1.00 0.92 H new ATOM 1938 N GLU B 36 150.560 15.839 6.268 1.00 0.39 N ATOM 1939 CA GLU B 36 149.971 17.208 6.122 1.00 0.44 C ATOM 1940 C GLU B 36 148.836 17.146 5.095 1.00 0.45 C ATOM 1941 O GLU B 36 148.011 18.034 5.005 1.00 0.49 O ATOM 1942 CB GLU B 36 151.061 18.193 5.637 1.00 0.46 C ATOM 1943 CG GLU B 36 151.649 18.974 6.818 1.00 1.11 C ATOM 1944 CD GLU B 36 152.651 20.004 6.292 1.00 1.38 C ATOM 1945 OE1 GLU B 36 152.301 20.726 5.373 1.00 1.99 O ATOM 1946 OE2 GLU B 36 153.749 20.056 6.821 1.00 1.85 O ATOM 0 H GLU B 36 151.515 15.742 5.922 1.00 0.39 H new ATOM 0 HA GLU B 36 149.585 17.552 7.081 1.00 0.44 H new ATOM 0 HB2 GLU B 36 151.853 17.645 5.127 1.00 0.46 H new ATOM 0 HB3 GLU B 36 150.635 18.886 4.912 1.00 0.46 H new ATOM 0 HG2 GLU B 36 150.853 19.473 7.372 1.00 1.11 H new ATOM 0 HG3 GLU B 36 152.141 18.292 7.512 1.00 1.11 H new ATOM 1953 N ARG B 37 148.818 16.118 4.299 1.00 0.42 N ATOM 1954 CA ARG B 37 147.770 16.005 3.244 1.00 0.45 C ATOM 1955 C ARG B 37 146.536 15.281 3.802 1.00 0.42 C ATOM 1956 O ARG B 37 145.552 15.109 3.110 1.00 0.43 O ATOM 1957 CB ARG B 37 148.339 15.206 2.070 1.00 0.45 C ATOM 1958 CG ARG B 37 149.444 15.996 1.361 1.00 0.52 C ATOM 1959 CD ARG B 37 148.861 17.051 0.418 1.00 0.86 C ATOM 1960 NE ARG B 37 149.885 17.316 -0.634 1.00 1.42 N ATOM 1961 CZ ARG B 37 149.646 18.152 -1.601 1.00 1.87 C ATOM 1962 NH1 ARG B 37 148.571 18.889 -1.575 1.00 2.15 N ATOM 1963 NH2 ARG B 37 150.501 18.274 -2.579 1.00 2.68 N ATOM 0 H ARG B 37 149.485 15.347 4.331 1.00 0.42 H new ATOM 0 HA ARG B 37 147.476 17.002 2.915 1.00 0.45 H new ATOM 0 HB2 ARG B 37 148.737 14.257 2.429 1.00 0.45 H new ATOM 0 HB3 ARG B 37 147.543 14.971 1.364 1.00 0.45 H new ATOM 0 HG2 ARG B 37 150.080 16.480 2.102 1.00 0.52 H new ATOM 0 HG3 ARG B 37 150.077 15.312 0.796 1.00 0.52 H new ATOM 0 HD2 ARG B 37 147.933 16.696 -0.029 1.00 0.86 H new ATOM 0 HD3 ARG B 37 148.623 17.965 0.963 1.00 0.86 H new ATOM 0 HE ARG B 37 150.784 16.835 -0.594 1.00 1.42 H new ATOM 0 HH11 ARG B 37 147.917 18.810 -0.796 1.00 2.15 H new ATOM 0 HH12 ARG B 37 148.384 19.545 -2.334 1.00 2.15 H new ATOM 0 HH21 ARG B 37 151.354 17.715 -2.584 1.00 2.68 H new ATOM 0 HH22 ARG B 37 150.317 18.929 -3.339 1.00 2.68 H new ATOM 1977 N GLY B 38 146.563 14.882 5.053 1.00 0.41 N ATOM 1978 CA GLY B 38 145.367 14.202 5.655 1.00 0.39 C ATOM 1979 C GLY B 38 145.577 12.688 5.729 1.00 0.37 C ATOM 1980 O GLY B 38 144.687 11.958 6.118 1.00 0.49 O ATOM 0 H GLY B 38 147.358 14.997 5.682 1.00 0.41 H new ATOM 0 HA2 GLY B 38 145.184 14.597 6.654 1.00 0.39 H new ATOM 0 HA3 GLY B 38 144.481 14.421 5.059 1.00 0.39 H new ATOM 1984 N PHE B 39 146.742 12.207 5.380 1.00 0.31 N ATOM 1985 CA PHE B 39 147.008 10.735 5.457 1.00 0.28 C ATOM 1986 C PHE B 39 147.904 10.474 6.667 1.00 0.28 C ATOM 1987 O PHE B 39 149.088 10.236 6.539 1.00 0.28 O ATOM 1988 CB PHE B 39 147.741 10.284 4.199 1.00 0.27 C ATOM 1989 CG PHE B 39 146.870 10.485 2.982 1.00 0.28 C ATOM 1990 CD1 PHE B 39 145.988 9.476 2.553 1.00 0.27 C ATOM 1991 CD2 PHE B 39 146.952 11.689 2.273 1.00 0.31 C ATOM 1992 CE1 PHE B 39 145.187 9.682 1.411 1.00 0.30 C ATOM 1993 CE2 PHE B 39 146.157 11.900 1.133 1.00 0.33 C ATOM 1994 CZ PHE B 39 145.273 10.896 0.700 1.00 0.32 C ATOM 0 H PHE B 39 147.524 12.769 5.044 1.00 0.31 H new ATOM 0 HA PHE B 39 146.068 10.190 5.547 1.00 0.28 H new ATOM 0 HB2 PHE B 39 148.667 10.848 4.088 1.00 0.27 H new ATOM 0 HB3 PHE B 39 148.016 9.233 4.288 1.00 0.27 H new ATOM 0 HD1 PHE B 39 145.925 8.545 3.097 1.00 0.27 H new ATOM 0 HD2 PHE B 39 147.631 12.461 2.604 1.00 0.31 H new ATOM 0 HE1 PHE B 39 144.508 8.910 1.081 1.00 0.30 H new ATOM 0 HE2 PHE B 39 146.225 12.832 0.591 1.00 0.33 H new ATOM 0 HZ PHE B 39 144.661 11.055 -0.176 1.00 0.32 H new ATOM 2004 N ASP B 40 147.348 10.545 7.841 1.00 0.30 N ATOM 2005 CA ASP B 40 148.172 10.333 9.064 1.00 0.31 C ATOM 2006 C ASP B 40 148.343 8.839 9.349 1.00 0.29 C ATOM 2007 O ASP B 40 149.131 8.457 10.191 1.00 0.30 O ATOM 2008 CB ASP B 40 147.466 10.983 10.256 1.00 0.35 C ATOM 2009 CG ASP B 40 146.092 10.336 10.443 1.00 0.37 C ATOM 2010 OD1 ASP B 40 145.605 9.739 9.496 1.00 0.36 O ATOM 2011 OD2 ASP B 40 145.549 10.446 11.530 1.00 0.41 O ATOM 0 H ASP B 40 146.361 10.740 8.009 1.00 0.30 H new ATOM 0 HA ASP B 40 149.154 10.778 8.907 1.00 0.31 H new ATOM 0 HB2 ASP B 40 148.064 10.861 11.159 1.00 0.35 H new ATOM 0 HB3 ASP B 40 147.357 12.055 10.089 1.00 0.35 H new ATOM 2016 N LYS B 41 147.602 7.987 8.674 1.00 0.28 N ATOM 2017 CA LYS B 41 147.715 6.508 8.932 1.00 0.28 C ATOM 2018 C LYS B 41 147.840 5.768 7.592 1.00 0.23 C ATOM 2019 O LYS B 41 147.428 6.255 6.558 1.00 0.23 O ATOM 2020 CB LYS B 41 146.462 6.003 9.677 1.00 0.33 C ATOM 2021 CG LYS B 41 146.114 6.915 10.896 1.00 0.47 C ATOM 2022 CD LYS B 41 146.290 6.170 12.225 1.00 0.74 C ATOM 2023 CE LYS B 41 146.055 7.150 13.377 1.00 0.71 C ATOM 2024 NZ LYS B 41 146.135 6.427 14.676 1.00 1.56 N ATOM 0 H LYS B 41 146.925 8.249 7.957 1.00 0.28 H new ATOM 0 HA LYS B 41 148.596 6.319 9.545 1.00 0.28 H new ATOM 0 HB2 LYS B 41 145.616 5.974 8.990 1.00 0.33 H new ATOM 0 HB3 LYS B 41 146.629 4.982 10.021 1.00 0.33 H new ATOM 0 HG2 LYS B 41 146.753 7.798 10.885 1.00 0.47 H new ATOM 0 HG3 LYS B 41 145.086 7.265 10.808 1.00 0.47 H new ATOM 0 HD2 LYS B 41 145.587 5.339 12.287 1.00 0.74 H new ATOM 0 HD3 LYS B 41 147.292 5.746 12.290 1.00 0.74 H new ATOM 0 HE2 LYS B 41 146.799 7.946 13.347 1.00 0.71 H new ATOM 0 HE3 LYS B 41 145.078 7.622 13.272 1.00 0.71 H new ATOM 0 HZ1 LYS B 41 145.975 7.096 15.456 1.00 1.56 H new ATOM 0 HZ2 LYS B 41 145.410 5.682 14.704 1.00 1.56 H new ATOM 0 HZ3 LYS B 41 147.077 5.997 14.777 1.00 1.56 H new ATOM 2038 N ALA B 42 148.432 4.603 7.607 1.00 0.21 N ATOM 2039 CA ALA B 42 148.621 3.824 6.343 1.00 0.20 C ATOM 2040 C ALA B 42 147.280 3.377 5.728 1.00 0.18 C ATOM 2041 O ALA B 42 147.126 3.376 4.522 1.00 0.18 O ATOM 2042 CB ALA B 42 149.474 2.587 6.649 1.00 0.21 C ATOM 0 H ALA B 42 148.796 4.152 8.446 1.00 0.21 H new ATOM 0 HA ALA B 42 149.115 4.471 5.618 1.00 0.20 H new ATOM 0 HB1 ALA B 42 149.619 2.010 5.736 1.00 0.21 H new ATOM 0 HB2 ALA B 42 150.443 2.900 7.038 1.00 0.21 H new ATOM 0 HB3 ALA B 42 148.967 1.970 7.391 1.00 0.21 H new ATOM 2048 N TYR B 43 146.328 2.954 6.518 1.00 0.18 N ATOM 2049 CA TYR B 43 145.045 2.464 5.920 1.00 0.18 C ATOM 2050 C TYR B 43 144.344 3.560 5.107 1.00 0.17 C ATOM 2051 O TYR B 43 143.523 3.266 4.260 1.00 0.17 O ATOM 2052 CB TYR B 43 144.104 1.896 6.995 1.00 0.20 C ATOM 2053 CG TYR B 43 143.609 2.972 7.935 1.00 0.21 C ATOM 2054 CD1 TYR B 43 142.599 3.865 7.523 1.00 0.21 C ATOM 2055 CD2 TYR B 43 144.132 3.057 9.238 1.00 0.24 C ATOM 2056 CE1 TYR B 43 142.120 4.843 8.415 1.00 0.25 C ATOM 2057 CE2 TYR B 43 143.653 4.035 10.127 1.00 0.28 C ATOM 2058 CZ TYR B 43 142.647 4.928 9.717 1.00 0.27 C ATOM 2059 OH TYR B 43 142.177 5.888 10.590 1.00 0.32 O ATOM 0 H TYR B 43 146.378 2.925 7.536 1.00 0.18 H new ATOM 0 HA TYR B 43 145.301 1.655 5.236 1.00 0.18 H new ATOM 0 HB2 TYR B 43 143.253 1.414 6.515 1.00 0.20 H new ATOM 0 HB3 TYR B 43 144.626 1.127 7.565 1.00 0.20 H new ATOM 0 HD1 TYR B 43 142.193 3.799 6.524 1.00 0.21 H new ATOM 0 HD2 TYR B 43 144.902 2.370 9.556 1.00 0.24 H new ATOM 0 HE1 TYR B 43 141.347 5.529 8.100 1.00 0.25 H new ATOM 0 HE2 TYR B 43 144.058 4.101 11.126 1.00 0.28 H new ATOM 0 HH TYR B 43 142.646 5.809 11.447 1.00 0.32 H new ATOM 2069 N VAL B 44 144.664 4.809 5.312 1.00 0.18 N ATOM 2070 CA VAL B 44 144.005 5.870 4.488 1.00 0.18 C ATOM 2071 C VAL B 44 144.696 5.890 3.120 1.00 0.17 C ATOM 2072 O VAL B 44 144.103 6.184 2.099 1.00 0.17 O ATOM 2073 CB VAL B 44 144.155 7.246 5.156 1.00 0.20 C ATOM 2074 CG1 VAL B 44 143.387 8.328 4.348 1.00 0.21 C ATOM 2075 CG2 VAL B 44 143.604 7.173 6.585 1.00 0.24 C ATOM 0 H VAL B 44 145.340 5.140 6.000 1.00 0.18 H new ATOM 0 HA VAL B 44 142.941 5.656 4.388 1.00 0.18 H new ATOM 0 HB VAL B 44 145.210 7.519 5.181 1.00 0.20 H new ATOM 0 HG11 VAL B 44 143.503 9.296 4.835 1.00 0.21 H new ATOM 0 HG12 VAL B 44 143.789 8.380 3.336 1.00 0.21 H new ATOM 0 HG13 VAL B 44 142.329 8.068 4.306 1.00 0.21 H new ATOM 0 HG21 VAL B 44 143.707 8.146 7.065 1.00 0.24 H new ATOM 0 HG22 VAL B 44 142.551 6.893 6.555 1.00 0.24 H new ATOM 0 HG23 VAL B 44 144.161 6.428 7.152 1.00 0.24 H new ATOM 2085 N VAL B 45 145.960 5.558 3.120 1.00 0.17 N ATOM 2086 CA VAL B 45 146.754 5.526 1.857 1.00 0.17 C ATOM 2087 C VAL B 45 146.374 4.263 1.097 1.00 0.15 C ATOM 2088 O VAL B 45 146.223 4.268 -0.108 1.00 0.15 O ATOM 2089 CB VAL B 45 148.251 5.461 2.203 1.00 0.18 C ATOM 2090 CG1 VAL B 45 149.112 5.504 0.904 1.00 0.22 C ATOM 2091 CG2 VAL B 45 148.617 6.618 3.182 1.00 0.20 C ATOM 0 H VAL B 45 146.484 5.303 3.957 1.00 0.17 H new ATOM 0 HA VAL B 45 146.554 6.415 1.259 1.00 0.17 H new ATOM 0 HB VAL B 45 148.468 4.517 2.703 1.00 0.18 H new ATOM 0 HG11 VAL B 45 150.169 5.457 1.166 1.00 0.22 H new ATOM 0 HG12 VAL B 45 148.857 4.654 0.270 1.00 0.22 H new ATOM 0 HG13 VAL B 45 148.912 6.431 0.366 1.00 0.22 H new ATOM 0 HG21 VAL B 45 149.679 6.568 3.424 1.00 0.20 H new ATOM 0 HG22 VAL B 45 148.397 7.576 2.711 1.00 0.20 H new ATOM 0 HG23 VAL B 45 148.031 6.520 4.096 1.00 0.20 H new ATOM 2101 N LEU B 46 146.198 3.184 1.799 1.00 0.17 N ATOM 2102 CA LEU B 46 145.808 1.927 1.123 1.00 0.17 C ATOM 2103 C LEU B 46 144.477 2.191 0.430 1.00 0.17 C ATOM 2104 O LEU B 46 144.243 1.761 -0.679 1.00 0.17 O ATOM 2105 CB LEU B 46 145.667 0.807 2.172 1.00 0.22 C ATOM 2106 CG LEU B 46 145.258 -0.536 1.520 1.00 0.25 C ATOM 2107 CD1 LEU B 46 146.489 -1.222 0.893 1.00 0.40 C ATOM 2108 CD2 LEU B 46 144.617 -1.469 2.587 1.00 0.35 C ATOM 0 H LEU B 46 146.308 3.120 2.811 1.00 0.17 H new ATOM 0 HA LEU B 46 146.556 1.611 0.395 1.00 0.17 H new ATOM 0 HB2 LEU B 46 146.612 0.682 2.701 1.00 0.22 H new ATOM 0 HB3 LEU B 46 144.922 1.094 2.914 1.00 0.22 H new ATOM 0 HG LEU B 46 144.529 -0.338 0.734 1.00 0.25 H new ATOM 0 HD11 LEU B 46 146.187 -2.165 0.438 1.00 0.40 H new ATOM 0 HD12 LEU B 46 146.919 -0.572 0.130 1.00 0.40 H new ATOM 0 HD13 LEU B 46 147.232 -1.414 1.667 1.00 0.40 H new ATOM 0 HD21 LEU B 46 144.332 -2.412 2.121 1.00 0.35 H new ATOM 0 HD22 LEU B 46 145.337 -1.660 3.383 1.00 0.35 H new ATOM 0 HD23 LEU B 46 143.733 -0.989 3.006 1.00 0.35 H new ATOM 2120 N GLY B 47 143.611 2.921 1.075 1.00 0.17 N ATOM 2121 CA GLY B 47 142.298 3.239 0.459 1.00 0.18 C ATOM 2122 C GLY B 47 142.528 3.910 -0.897 1.00 0.17 C ATOM 2123 O GLY B 47 141.861 3.609 -1.865 1.00 0.18 O ATOM 0 H GLY B 47 143.759 3.311 2.006 1.00 0.17 H new ATOM 0 HA2 GLY B 47 141.712 2.329 0.333 1.00 0.18 H new ATOM 0 HA3 GLY B 47 141.726 3.898 1.112 1.00 0.18 H new ATOM 2127 N GLN B 48 143.476 4.808 -0.981 1.00 0.17 N ATOM 2128 CA GLN B 48 143.755 5.481 -2.283 1.00 0.18 C ATOM 2129 C GLN B 48 144.155 4.426 -3.323 1.00 0.17 C ATOM 2130 O GLN B 48 143.710 4.449 -4.453 1.00 0.18 O ATOM 2131 CB GLN B 48 144.903 6.477 -2.098 1.00 0.18 C ATOM 2132 CG GLN B 48 145.050 7.334 -3.356 1.00 0.22 C ATOM 2133 CD GLN B 48 143.843 8.264 -3.489 1.00 0.28 C ATOM 2134 OE1 GLN B 48 143.540 9.017 -2.585 1.00 0.97 O ATOM 2135 NE2 GLN B 48 143.137 8.244 -4.586 1.00 1.09 N ATOM 0 H GLN B 48 144.068 5.103 -0.205 1.00 0.17 H new ATOM 0 HA GLN B 48 142.865 6.009 -2.624 1.00 0.18 H new ATOM 0 HB2 GLN B 48 144.710 7.113 -1.234 1.00 0.18 H new ATOM 0 HB3 GLN B 48 145.832 5.943 -1.900 1.00 0.18 H new ATOM 0 HG2 GLN B 48 145.968 7.919 -3.304 1.00 0.22 H new ATOM 0 HG3 GLN B 48 145.128 6.695 -4.236 1.00 0.22 H new ATOM 0 HE21 GLN B 48 143.392 7.612 -5.345 1.00 1.09 H new ATOM 0 HE22 GLN B 48 142.331 8.861 -4.685 1.00 1.09 H new ATOM 2144 N PHE B 49 144.988 3.496 -2.937 1.00 0.17 N ATOM 2145 CA PHE B 49 145.425 2.425 -3.881 1.00 0.17 C ATOM 2146 C PHE B 49 144.185 1.652 -4.343 1.00 0.18 C ATOM 2147 O PHE B 49 144.052 1.286 -5.494 1.00 0.19 O ATOM 2148 CB PHE B 49 146.393 1.492 -3.142 1.00 0.18 C ATOM 2149 CG PHE B 49 146.867 0.386 -4.057 1.00 0.20 C ATOM 2150 CD1 PHE B 49 147.748 0.681 -5.115 1.00 0.24 C ATOM 2151 CD2 PHE B 49 146.447 -0.941 -3.840 1.00 0.27 C ATOM 2152 CE1 PHE B 49 148.208 -0.350 -5.958 1.00 0.27 C ATOM 2153 CE2 PHE B 49 146.905 -1.971 -4.684 1.00 0.31 C ATOM 2154 CZ PHE B 49 147.785 -1.675 -5.743 1.00 0.27 C ATOM 0 H PHE B 49 145.388 3.432 -2.001 1.00 0.17 H new ATOM 0 HA PHE B 49 145.929 2.848 -4.750 1.00 0.17 H new ATOM 0 HB2 PHE B 49 147.248 2.061 -2.777 1.00 0.18 H new ATOM 0 HB3 PHE B 49 145.899 1.064 -2.270 1.00 0.18 H new ATOM 0 HD1 PHE B 49 148.071 1.698 -5.280 1.00 0.24 H new ATOM 0 HD2 PHE B 49 145.774 -1.168 -3.027 1.00 0.27 H new ATOM 0 HE1 PHE B 49 148.885 -0.124 -6.769 1.00 0.27 H new ATOM 0 HE2 PHE B 49 146.581 -2.988 -4.519 1.00 0.31 H new ATOM 0 HZ PHE B 49 148.135 -2.465 -6.390 1.00 0.27 H new ATOM 2164 N LEU B 50 143.286 1.413 -3.442 1.00 0.18 N ATOM 2165 CA LEU B 50 142.045 0.669 -3.810 1.00 0.20 C ATOM 2166 C LEU B 50 141.202 1.538 -4.746 1.00 0.21 C ATOM 2167 O LEU B 50 140.594 1.052 -5.679 1.00 0.23 O ATOM 2168 CB LEU B 50 141.248 0.338 -2.542 1.00 0.22 C ATOM 2169 CG LEU B 50 142.083 -0.554 -1.605 1.00 0.23 C ATOM 2170 CD1 LEU B 50 141.320 -0.769 -0.271 1.00 0.27 C ATOM 2171 CD2 LEU B 50 142.369 -1.903 -2.293 1.00 0.27 C ATOM 0 H LEU B 50 143.350 1.697 -2.465 1.00 0.18 H new ATOM 0 HA LEU B 50 142.307 -0.261 -4.315 1.00 0.20 H new ATOM 0 HB2 LEU B 50 140.971 1.258 -2.028 1.00 0.22 H new ATOM 0 HB3 LEU B 50 140.321 -0.170 -2.809 1.00 0.22 H new ATOM 0 HG LEU B 50 143.033 -0.067 -1.386 1.00 0.23 H new ATOM 0 HD11 LEU B 50 141.914 -1.401 0.390 1.00 0.27 H new ATOM 0 HD12 LEU B 50 141.146 0.195 0.208 1.00 0.27 H new ATOM 0 HD13 LEU B 50 140.364 -1.252 -0.472 1.00 0.27 H new ATOM 0 HD21 LEU B 50 142.960 -2.533 -1.628 1.00 0.27 H new ATOM 0 HD22 LEU B 50 141.427 -2.401 -2.522 1.00 0.27 H new ATOM 0 HD23 LEU B 50 142.922 -1.731 -3.216 1.00 0.27 H new ATOM 2183 N VAL B 51 141.153 2.814 -4.501 1.00 0.21 N ATOM 2184 CA VAL B 51 140.343 3.714 -5.371 1.00 0.23 C ATOM 2185 C VAL B 51 140.947 3.774 -6.784 1.00 0.23 C ATOM 2186 O VAL B 51 140.253 4.015 -7.752 1.00 0.25 O ATOM 2187 CB VAL B 51 140.305 5.117 -4.753 1.00 0.25 C ATOM 2188 CG1 VAL B 51 139.678 6.110 -5.737 1.00 0.28 C ATOM 2189 CG2 VAL B 51 139.460 5.076 -3.478 1.00 0.27 C ATOM 0 H VAL B 51 141.640 3.277 -3.734 1.00 0.21 H new ATOM 0 HA VAL B 51 139.328 3.324 -5.446 1.00 0.23 H new ATOM 0 HB VAL B 51 141.322 5.436 -4.523 1.00 0.25 H new ATOM 0 HG11 VAL B 51 139.656 7.103 -5.288 1.00 0.28 H new ATOM 0 HG12 VAL B 51 140.270 6.139 -6.652 1.00 0.28 H new ATOM 0 HG13 VAL B 51 138.661 5.796 -5.973 1.00 0.28 H new ATOM 0 HG21 VAL B 51 139.427 6.070 -3.031 1.00 0.27 H new ATOM 0 HG22 VAL B 51 138.448 4.754 -3.723 1.00 0.27 H new ATOM 0 HG23 VAL B 51 139.902 4.375 -2.771 1.00 0.27 H new ATOM 2199 N LEU B 52 142.234 3.571 -6.912 1.00 0.22 N ATOM 2200 CA LEU B 52 142.876 3.636 -8.266 1.00 0.23 C ATOM 2201 C LEU B 52 142.848 2.262 -8.939 1.00 0.23 C ATOM 2202 O LEU B 52 143.509 2.047 -9.936 1.00 0.24 O ATOM 2203 CB LEU B 52 144.332 4.080 -8.129 1.00 0.24 C ATOM 2204 CG LEU B 52 144.423 5.495 -7.530 1.00 0.25 C ATOM 2205 CD1 LEU B 52 145.920 5.851 -7.271 1.00 0.30 C ATOM 2206 CD2 LEU B 52 143.771 6.512 -8.498 1.00 0.27 C ATOM 0 H LEU B 52 142.869 3.363 -6.141 1.00 0.22 H new ATOM 0 HA LEU B 52 142.320 4.351 -8.873 1.00 0.23 H new ATOM 0 HB2 LEU B 52 144.872 3.377 -7.495 1.00 0.24 H new ATOM 0 HB3 LEU B 52 144.815 4.063 -9.106 1.00 0.24 H new ATOM 0 HG LEU B 52 143.887 5.533 -6.581 1.00 0.25 H new ATOM 0 HD11 LEU B 52 145.988 6.853 -6.847 1.00 0.30 H new ATOM 0 HD12 LEU B 52 146.350 5.132 -6.574 1.00 0.30 H new ATOM 0 HD13 LEU B 52 146.470 5.817 -8.211 1.00 0.30 H new ATOM 0 HD21 LEU B 52 143.836 7.513 -8.072 1.00 0.27 H new ATOM 0 HD22 LEU B 52 144.293 6.490 -9.455 1.00 0.27 H new ATOM 0 HD23 LEU B 52 142.724 6.250 -8.650 1.00 0.27 H new ATOM 2218 N LYS B 53 142.092 1.335 -8.430 1.00 0.23 N ATOM 2219 CA LYS B 53 142.034 -0.007 -9.077 1.00 0.24 C ATOM 2220 C LYS B 53 143.452 -0.515 -9.370 1.00 0.24 C ATOM 2221 O LYS B 53 143.695 -1.151 -10.376 1.00 0.30 O ATOM 2222 CB LYS B 53 141.252 0.107 -10.384 1.00 0.29 C ATOM 2223 CG LYS B 53 139.834 0.588 -10.075 1.00 0.39 C ATOM 2224 CD LYS B 53 139.034 0.710 -11.371 1.00 0.48 C ATOM 2225 CE LYS B 53 137.751 1.497 -11.100 1.00 0.92 C ATOM 2226 NZ LYS B 53 136.973 1.635 -12.362 1.00 1.71 N ATOM 0 H LYS B 53 141.513 1.444 -7.598 1.00 0.23 H new ATOM 0 HA LYS B 53 141.541 -0.711 -8.407 1.00 0.24 H new ATOM 0 HB2 LYS B 53 141.747 0.804 -11.060 1.00 0.29 H new ATOM 0 HB3 LYS B 53 141.220 -0.858 -10.889 1.00 0.29 H new ATOM 0 HG2 LYS B 53 139.343 -0.111 -9.398 1.00 0.39 H new ATOM 0 HG3 LYS B 53 139.870 1.552 -9.567 1.00 0.39 H new ATOM 0 HD2 LYS B 53 139.629 1.213 -12.133 1.00 0.48 H new ATOM 0 HD3 LYS B 53 138.792 -0.280 -11.757 1.00 0.48 H new ATOM 0 HE2 LYS B 53 137.152 0.987 -10.346 1.00 0.92 H new ATOM 0 HE3 LYS B 53 137.994 2.482 -10.701 1.00 0.92 H new ATOM 0 HZ1 LYS B 53 136.101 2.170 -12.176 1.00 1.71 H new ATOM 0 HZ2 LYS B 53 137.545 2.140 -13.069 1.00 1.71 H new ATOM 0 HZ3 LYS B 53 136.729 0.691 -12.724 1.00 1.71 H new ATOM 2240 N LYS B 54 144.384 -0.245 -8.490 1.00 0.23 N ATOM 2241 CA LYS B 54 145.792 -0.711 -8.682 1.00 0.26 C ATOM 2242 C LYS B 54 146.390 -0.134 -9.971 1.00 0.28 C ATOM 2243 O LYS B 54 147.366 -0.650 -10.478 1.00 0.34 O ATOM 2244 CB LYS B 54 145.820 -2.239 -8.773 1.00 0.36 C ATOM 2245 CG LYS B 54 144.976 -2.837 -7.649 1.00 0.67 C ATOM 2246 CD LYS B 54 145.029 -4.363 -7.735 1.00 0.83 C ATOM 2247 CE LYS B 54 143.999 -4.969 -6.780 1.00 1.41 C ATOM 2248 NZ LYS B 54 144.316 -6.408 -6.559 1.00 2.25 N ATOM 0 H LYS B 54 144.226 0.287 -7.634 1.00 0.23 H new ATOM 0 HA LYS B 54 146.380 -0.369 -7.831 1.00 0.26 H new ATOM 0 HB2 LYS B 54 145.436 -2.562 -9.741 1.00 0.36 H new ATOM 0 HB3 LYS B 54 146.846 -2.599 -8.701 1.00 0.36 H new ATOM 0 HG2 LYS B 54 145.349 -2.503 -6.681 1.00 0.67 H new ATOM 0 HG3 LYS B 54 143.945 -2.492 -7.730 1.00 0.67 H new ATOM 0 HD2 LYS B 54 144.827 -4.687 -8.756 1.00 0.83 H new ATOM 0 HD3 LYS B 54 146.028 -4.717 -7.480 1.00 0.83 H new ATOM 0 HE2 LYS B 54 144.008 -4.433 -5.831 1.00 1.41 H new ATOM 0 HE3 LYS B 54 142.997 -4.866 -7.195 1.00 1.41 H new ATOM 0 HZ1 LYS B 54 143.617 -6.822 -5.910 1.00 2.25 H new ATOM 0 HZ2 LYS B 54 144.287 -6.913 -7.467 1.00 2.25 H new ATOM 0 HZ3 LYS B 54 145.266 -6.495 -6.145 1.00 2.25 H new ATOM 2262 N ASP B 55 145.860 0.934 -10.501 1.00 0.30 N ATOM 2263 CA ASP B 55 146.483 1.496 -11.735 1.00 0.39 C ATOM 2264 C ASP B 55 147.883 1.991 -11.347 1.00 0.38 C ATOM 2265 O ASP B 55 148.034 2.965 -10.636 1.00 0.37 O ATOM 2266 CB ASP B 55 145.628 2.662 -12.271 1.00 0.47 C ATOM 2267 CG ASP B 55 144.626 2.151 -13.316 1.00 1.18 C ATOM 2268 OD1 ASP B 55 145.006 1.308 -14.112 1.00 1.80 O ATOM 2269 OD2 ASP B 55 143.499 2.617 -13.304 1.00 1.54 O ATOM 0 H ASP B 55 145.044 1.432 -10.146 1.00 0.30 H new ATOM 0 HA ASP B 55 146.547 0.743 -12.520 1.00 0.39 H new ATOM 0 HB2 ASP B 55 145.095 3.139 -11.449 1.00 0.47 H new ATOM 0 HB3 ASP B 55 146.273 3.420 -12.715 1.00 0.47 H new ATOM 2274 N GLU B 56 148.903 1.305 -11.785 1.00 0.39 N ATOM 2275 CA GLU B 56 150.298 1.693 -11.427 1.00 0.38 C ATOM 2276 C GLU B 56 150.662 3.091 -11.944 1.00 0.38 C ATOM 2277 O GLU B 56 151.318 3.854 -11.266 1.00 0.38 O ATOM 2278 CB GLU B 56 151.255 0.663 -12.030 1.00 0.40 C ATOM 2279 CG GLU B 56 152.696 1.033 -11.681 1.00 0.41 C ATOM 2280 CD GLU B 56 153.625 -0.120 -12.067 1.00 0.63 C ATOM 2281 OE1 GLU B 56 153.126 -1.114 -12.568 1.00 0.88 O ATOM 2282 OE2 GLU B 56 154.819 0.011 -11.855 1.00 0.85 O ATOM 0 H GLU B 56 148.829 0.482 -12.383 1.00 0.39 H new ATOM 0 HA GLU B 56 150.379 1.718 -10.340 1.00 0.38 H new ATOM 0 HB2 GLU B 56 151.022 -0.331 -11.649 1.00 0.40 H new ATOM 0 HB3 GLU B 56 151.131 0.626 -13.112 1.00 0.40 H new ATOM 0 HG2 GLU B 56 152.988 1.941 -12.208 1.00 0.41 H new ATOM 0 HG3 GLU B 56 152.781 1.242 -10.615 1.00 0.41 H new ATOM 2289 N ASP B 57 150.262 3.433 -13.135 1.00 0.40 N ATOM 2290 CA ASP B 57 150.613 4.780 -13.680 1.00 0.42 C ATOM 2291 C ASP B 57 149.845 5.863 -12.924 1.00 0.41 C ATOM 2292 O ASP B 57 150.375 6.913 -12.617 1.00 0.41 O ATOM 2293 CB ASP B 57 150.250 4.837 -15.166 1.00 0.45 C ATOM 2294 CG ASP B 57 151.200 3.940 -15.960 1.00 0.47 C ATOM 2295 OD1 ASP B 57 152.265 3.637 -15.448 1.00 0.65 O ATOM 2296 OD2 ASP B 57 150.847 3.570 -17.068 1.00 0.74 O ATOM 0 H ASP B 57 149.709 2.843 -13.756 1.00 0.40 H new ATOM 0 HA ASP B 57 151.683 4.950 -13.558 1.00 0.42 H new ATOM 0 HB2 ASP B 57 149.220 4.512 -15.312 1.00 0.45 H new ATOM 0 HB3 ASP B 57 150.315 5.863 -15.528 1.00 0.45 H new ATOM 2301 N LEU B 58 148.613 5.618 -12.617 1.00 0.40 N ATOM 2302 CA LEU B 58 147.834 6.642 -11.871 1.00 0.40 C ATOM 2303 C LEU B 58 148.370 6.736 -10.443 1.00 0.38 C ATOM 2304 O LEU B 58 148.496 7.808 -9.885 1.00 0.38 O ATOM 2305 CB LEU B 58 146.348 6.265 -11.835 1.00 0.41 C ATOM 2306 CG LEU B 58 145.779 6.200 -13.262 1.00 0.47 C ATOM 2307 CD1 LEU B 58 144.306 5.752 -13.209 1.00 0.45 C ATOM 2308 CD2 LEU B 58 145.876 7.586 -13.932 1.00 0.55 C ATOM 0 H LEU B 58 148.109 4.761 -12.846 1.00 0.40 H new ATOM 0 HA LEU B 58 147.938 7.604 -12.374 1.00 0.40 H new ATOM 0 HB2 LEU B 58 146.222 5.301 -11.342 1.00 0.41 H new ATOM 0 HB3 LEU B 58 145.794 6.998 -11.248 1.00 0.41 H new ATOM 0 HG LEU B 58 146.357 5.483 -13.845 1.00 0.47 H new ATOM 0 HD11 LEU B 58 143.903 5.706 -14.221 1.00 0.45 H new ATOM 0 HD12 LEU B 58 144.242 4.766 -12.748 1.00 0.45 H new ATOM 0 HD13 LEU B 58 143.729 6.466 -12.621 1.00 0.45 H new ATOM 0 HD21 LEU B 58 145.471 7.531 -14.942 1.00 0.55 H new ATOM 0 HD22 LEU B 58 145.306 8.311 -13.352 1.00 0.55 H new ATOM 0 HD23 LEU B 58 146.920 7.897 -13.976 1.00 0.55 H new ATOM 2320 N PHE B 59 148.701 5.622 -9.852 1.00 0.37 N ATOM 2321 CA PHE B 59 149.246 5.649 -8.466 1.00 0.35 C ATOM 2322 C PHE B 59 150.585 6.387 -8.437 1.00 0.36 C ATOM 2323 O PHE B 59 150.812 7.251 -7.613 1.00 0.35 O ATOM 2324 CB PHE B 59 149.445 4.218 -7.964 1.00 0.35 C ATOM 2325 CG PHE B 59 150.098 4.249 -6.600 1.00 0.34 C ATOM 2326 CD1 PHE B 59 149.340 4.594 -5.465 1.00 0.35 C ATOM 2327 CD2 PHE B 59 151.466 3.933 -6.464 1.00 0.37 C ATOM 2328 CE1 PHE B 59 149.947 4.623 -4.194 1.00 0.37 C ATOM 2329 CE2 PHE B 59 152.072 3.961 -5.193 1.00 0.38 C ATOM 2330 CZ PHE B 59 151.313 4.306 -4.058 1.00 0.37 C ATOM 0 H PHE B 59 148.618 4.695 -10.268 1.00 0.37 H new ATOM 0 HA PHE B 59 148.538 6.170 -7.821 1.00 0.35 H new ATOM 0 HB2 PHE B 59 148.485 3.704 -7.908 1.00 0.35 H new ATOM 0 HB3 PHE B 59 150.066 3.659 -8.664 1.00 0.35 H new ATOM 0 HD1 PHE B 59 148.293 4.837 -5.569 1.00 0.35 H new ATOM 0 HD2 PHE B 59 152.049 3.670 -7.334 1.00 0.37 H new ATOM 0 HE1 PHE B 59 149.365 4.888 -3.324 1.00 0.37 H new ATOM 0 HE2 PHE B 59 153.119 3.718 -5.089 1.00 0.38 H new ATOM 0 HZ PHE B 59 151.778 4.328 -3.083 1.00 0.37 H new ATOM 2340 N ARG B 60 151.488 6.030 -9.312 1.00 0.38 N ATOM 2341 CA ARG B 60 152.822 6.688 -9.305 1.00 0.39 C ATOM 2342 C ARG B 60 152.678 8.187 -9.550 1.00 0.40 C ATOM 2343 O ARG B 60 153.302 8.988 -8.882 1.00 0.39 O ATOM 2344 CB ARG B 60 153.715 6.046 -10.376 1.00 0.43 C ATOM 2345 CG ARG B 60 154.069 4.624 -9.920 1.00 0.44 C ATOM 2346 CD ARG B 60 155.032 3.932 -10.912 1.00 0.51 C ATOM 2347 NE ARG B 60 155.041 4.651 -12.221 1.00 1.31 N ATOM 2348 CZ ARG B 60 155.897 4.301 -13.143 1.00 1.54 C ATOM 2349 NH1 ARG B 60 156.651 3.251 -12.960 1.00 1.15 N ATOM 2350 NH2 ARG B 60 155.983 4.979 -14.254 1.00 2.64 N ATOM 0 H ARG B 60 151.358 5.314 -10.027 1.00 0.38 H new ATOM 0 HA ARG B 60 153.286 6.550 -8.328 1.00 0.39 H new ATOM 0 HB2 ARG B 60 153.198 6.019 -11.335 1.00 0.43 H new ATOM 0 HB3 ARG B 60 154.621 6.636 -10.518 1.00 0.43 H new ATOM 0 HG2 ARG B 60 154.528 4.662 -8.932 1.00 0.44 H new ATOM 0 HG3 ARG B 60 153.157 4.034 -9.825 1.00 0.44 H new ATOM 0 HD2 ARG B 60 156.039 3.911 -10.495 1.00 0.51 H new ATOM 0 HD3 ARG B 60 154.727 2.896 -11.061 1.00 0.51 H new ATOM 0 HE ARG B 60 154.383 5.411 -12.394 1.00 1.31 H new ATOM 0 HH11 ARG B 60 156.570 2.708 -12.100 1.00 1.15 H new ATOM 0 HH12 ARG B 60 157.321 2.973 -13.677 1.00 1.15 H new ATOM 0 HH21 ARG B 60 155.380 5.787 -14.406 1.00 2.64 H new ATOM 0 HH22 ARG B 60 156.654 4.701 -14.971 1.00 2.64 H new ATOM 2364 N GLU B 61 151.867 8.590 -10.487 1.00 0.42 N ATOM 2365 CA GLU B 61 151.713 10.047 -10.726 1.00 0.44 C ATOM 2366 C GLU B 61 151.067 10.673 -9.482 1.00 0.42 C ATOM 2367 O GLU B 61 151.413 11.758 -9.080 1.00 0.43 O ATOM 2368 CB GLU B 61 150.834 10.269 -11.982 1.00 0.48 C ATOM 2369 CG GLU B 61 151.372 11.435 -12.830 1.00 1.30 C ATOM 2370 CD GLU B 61 150.658 11.447 -14.184 1.00 1.77 C ATOM 2371 OE1 GLU B 61 150.585 10.397 -14.801 1.00 2.33 O ATOM 2372 OE2 GLU B 61 150.202 12.505 -14.583 1.00 2.38 O ATOM 0 H GLU B 61 151.312 7.982 -11.089 1.00 0.42 H new ATOM 0 HA GLU B 61 152.680 10.518 -10.902 1.00 0.44 H new ATOM 0 HB2 GLU B 61 150.812 9.359 -12.581 1.00 0.48 H new ATOM 0 HB3 GLU B 61 149.807 10.477 -11.680 1.00 0.48 H new ATOM 0 HG2 GLU B 61 151.211 12.381 -12.313 1.00 1.30 H new ATOM 0 HG3 GLU B 61 152.447 11.329 -12.974 1.00 1.30 H new ATOM 2379 N TRP B 62 150.151 9.989 -8.858 1.00 0.40 N ATOM 2380 CA TRP B 62 149.504 10.556 -7.634 1.00 0.39 C ATOM 2381 C TRP B 62 150.532 10.772 -6.518 1.00 0.36 C ATOM 2382 O TRP B 62 150.575 11.814 -5.898 1.00 0.36 O ATOM 2383 CB TRP B 62 148.413 9.597 -7.127 1.00 0.38 C ATOM 2384 CG TRP B 62 147.965 10.022 -5.756 1.00 0.36 C ATOM 2385 CD1 TRP B 62 147.021 10.958 -5.491 1.00 0.39 C ATOM 2386 CD2 TRP B 62 148.455 9.557 -4.463 1.00 0.34 C ATOM 2387 NE1 TRP B 62 146.894 11.090 -4.116 1.00 0.37 N ATOM 2388 CE2 TRP B 62 147.755 10.249 -3.438 1.00 0.34 C ATOM 2389 CE3 TRP B 62 149.430 8.603 -4.081 1.00 0.32 C ATOM 2390 CZ2 TRP B 62 148.014 10.005 -2.079 1.00 0.34 C ATOM 2391 CZ3 TRP B 62 149.691 8.355 -2.716 1.00 0.31 C ATOM 2392 CH2 TRP B 62 148.984 9.055 -1.719 1.00 0.32 C ATOM 0 H TRP B 62 149.820 9.065 -9.138 1.00 0.40 H new ATOM 0 HA TRP B 62 149.064 11.517 -7.901 1.00 0.39 H new ATOM 0 HB2 TRP B 62 147.566 9.598 -7.814 1.00 0.38 H new ATOM 0 HB3 TRP B 62 148.797 8.577 -7.095 1.00 0.38 H new ATOM 0 HD1 TRP B 62 146.460 11.511 -6.230 1.00 0.39 H new ATOM 0 HE1 TRP B 62 146.244 11.730 -3.661 1.00 0.37 H new ATOM 0 HE3 TRP B 62 149.977 8.062 -4.839 1.00 0.32 H new ATOM 0 HZ2 TRP B 62 147.471 10.544 -1.317 1.00 0.34 H new ATOM 0 HZ3 TRP B 62 150.436 7.625 -2.435 1.00 0.31 H new ATOM 0 HH2 TRP B 62 149.188 8.861 -0.676 1.00 0.32 H new ATOM 2403 N LEU B 63 151.345 9.795 -6.247 1.00 0.34 N ATOM 2404 CA LEU B 63 152.347 9.948 -5.157 1.00 0.32 C ATOM 2405 C LEU B 63 153.380 11.009 -5.535 1.00 0.33 C ATOM 2406 O LEU B 63 153.720 11.867 -4.745 1.00 0.32 O ATOM 2407 CB LEU B 63 153.048 8.601 -4.932 1.00 0.31 C ATOM 2408 CG LEU B 63 154.116 8.717 -3.832 1.00 0.30 C ATOM 2409 CD1 LEU B 63 153.470 9.151 -2.504 1.00 0.30 C ATOM 2410 CD2 LEU B 63 154.802 7.352 -3.668 1.00 0.32 C ATOM 0 H LEU B 63 151.361 8.897 -6.731 1.00 0.34 H new ATOM 0 HA LEU B 63 151.843 10.262 -4.243 1.00 0.32 H new ATOM 0 HB2 LEU B 63 152.313 7.846 -4.653 1.00 0.31 H new ATOM 0 HB3 LEU B 63 153.511 8.268 -5.861 1.00 0.31 H new ATOM 0 HG LEU B 63 154.853 9.470 -4.112 1.00 0.30 H new ATOM 0 HD11 LEU B 63 154.238 9.229 -1.734 1.00 0.30 H new ATOM 0 HD12 LEU B 63 152.987 10.119 -2.634 1.00 0.30 H new ATOM 0 HD13 LEU B 63 152.727 8.412 -2.202 1.00 0.30 H new ATOM 0 HD21 LEU B 63 155.563 7.418 -2.890 1.00 0.32 H new ATOM 0 HD22 LEU B 63 154.061 6.604 -3.387 1.00 0.32 H new ATOM 0 HD23 LEU B 63 155.270 7.064 -4.610 1.00 0.32 H new ATOM 2422 N LYS B 64 153.891 10.952 -6.730 1.00 0.35 N ATOM 2423 CA LYS B 64 154.910 11.951 -7.151 1.00 0.37 C ATOM 2424 C LYS B 64 154.326 13.367 -7.125 1.00 0.38 C ATOM 2425 O LYS B 64 154.908 14.275 -6.568 1.00 0.38 O ATOM 2426 CB LYS B 64 155.419 11.629 -8.555 1.00 0.41 C ATOM 2427 CG LYS B 64 156.499 12.645 -8.928 1.00 0.43 C ATOM 2428 CD LYS B 64 157.179 12.236 -10.237 1.00 0.68 C ATOM 2429 CE LYS B 64 158.120 13.358 -10.702 1.00 1.24 C ATOM 2430 NZ LYS B 64 159.210 12.777 -11.534 1.00 2.10 N ATOM 0 H LYS B 64 153.647 10.256 -7.435 1.00 0.35 H new ATOM 0 HA LYS B 64 155.742 11.903 -6.448 1.00 0.37 H new ATOM 0 HB2 LYS B 64 155.824 10.618 -8.588 1.00 0.41 H new ATOM 0 HB3 LYS B 64 154.599 11.668 -9.273 1.00 0.41 H new ATOM 0 HG2 LYS B 64 156.056 13.635 -9.034 1.00 0.43 H new ATOM 0 HG3 LYS B 64 157.239 12.710 -8.130 1.00 0.43 H new ATOM 0 HD2 LYS B 64 157.741 11.313 -10.094 1.00 0.68 H new ATOM 0 HD3 LYS B 64 156.428 12.037 -11.002 1.00 0.68 H new ATOM 0 HE2 LYS B 64 157.564 14.099 -11.277 1.00 1.24 H new ATOM 0 HE3 LYS B 64 158.542 13.875 -9.840 1.00 1.24 H new ATOM 0 HZ1 LYS B 64 159.848 13.535 -11.849 1.00 2.10 H new ATOM 0 HZ2 LYS B 64 159.746 12.086 -10.971 1.00 2.10 H new ATOM 0 HZ3 LYS B 64 158.799 12.303 -12.363 1.00 2.10 H new ATOM 2444 N ASP B 65 153.183 13.567 -7.727 1.00 0.41 N ATOM 2445 CA ASP B 65 152.579 14.935 -7.735 1.00 0.44 C ATOM 2446 C ASP B 65 152.162 15.307 -6.309 1.00 0.43 C ATOM 2447 O ASP B 65 152.072 16.468 -5.964 1.00 0.45 O ATOM 2448 CB ASP B 65 151.345 14.968 -8.682 1.00 0.48 C ATOM 2449 CG ASP B 65 151.562 15.965 -9.828 1.00 1.17 C ATOM 2450 OD1 ASP B 65 152.103 17.027 -9.568 1.00 1.90 O ATOM 2451 OD2 ASP B 65 151.179 15.649 -10.942 1.00 1.41 O ATOM 0 H ASP B 65 152.644 12.849 -8.211 1.00 0.41 H new ATOM 0 HA ASP B 65 153.312 15.656 -8.098 1.00 0.44 H new ATOM 0 HB2 ASP B 65 151.167 13.973 -9.089 1.00 0.48 H new ATOM 0 HB3 ASP B 65 150.455 15.245 -8.117 1.00 0.48 H new ATOM 2456 N THR B 66 151.874 14.335 -5.490 1.00 0.39 N ATOM 2457 CA THR B 66 151.425 14.640 -4.106 1.00 0.39 C ATOM 2458 C THR B 66 152.606 15.007 -3.204 1.00 0.38 C ATOM 2459 O THR B 66 152.464 15.843 -2.334 1.00 0.40 O ATOM 2460 CB THR B 66 150.699 13.425 -3.525 1.00 0.37 C ATOM 2461 OG1 THR B 66 149.527 13.168 -4.285 1.00 0.37 O ATOM 2462 CG2 THR B 66 150.312 13.706 -2.072 1.00 0.38 C ATOM 0 H THR B 66 151.930 13.343 -5.720 1.00 0.39 H new ATOM 0 HA THR B 66 150.751 15.495 -4.149 1.00 0.39 H new ATOM 0 HB THR B 66 151.357 12.557 -3.563 1.00 0.37 H new ATOM 0 HG1 THR B 66 149.750 12.593 -5.046 1.00 0.37 H new ATOM 0 HG21 THR B 66 149.795 12.840 -1.659 1.00 0.38 H new ATOM 0 HG22 THR B 66 151.211 13.904 -1.488 1.00 0.38 H new ATOM 0 HG23 THR B 66 149.654 14.574 -2.032 1.00 0.38 H new ATOM 2470 N CYS B 67 153.757 14.383 -3.353 1.00 0.36 N ATOM 2471 CA CYS B 67 154.909 14.702 -2.442 1.00 0.37 C ATOM 2472 C CYS B 67 156.206 14.949 -3.217 1.00 0.37 C ATOM 2473 O CYS B 67 157.061 15.693 -2.777 1.00 0.39 O ATOM 2474 CB CYS B 67 155.124 13.523 -1.493 1.00 0.36 C ATOM 2475 SG CYS B 67 155.779 12.113 -2.421 1.00 0.36 S ATOM 0 H CYS B 67 153.947 13.673 -4.060 1.00 0.36 H new ATOM 0 HA CYS B 67 154.664 15.614 -1.897 1.00 0.37 H new ATOM 0 HB2 CYS B 67 155.817 13.803 -0.699 1.00 0.36 H new ATOM 0 HB3 CYS B 67 154.183 13.252 -1.014 1.00 0.36 H new ATOM 0 HG CYS B 67 155.026 11.888 -3.457 1.00 0.36 H new ATOM 2481 N GLY B 68 156.374 14.321 -4.356 1.00 0.35 N ATOM 2482 CA GLY B 68 157.631 14.506 -5.152 1.00 0.36 C ATOM 2483 C GLY B 68 158.474 13.230 -5.062 1.00 0.34 C ATOM 2484 O GLY B 68 159.642 13.224 -5.397 1.00 0.33 O ATOM 0 H GLY B 68 155.693 13.686 -4.771 1.00 0.35 H new ATOM 0 HA2 GLY B 68 157.389 14.724 -6.192 1.00 0.36 H new ATOM 0 HA3 GLY B 68 158.195 15.357 -4.771 1.00 0.36 H new ATOM 2488 N ALA B 69 157.892 12.144 -4.624 1.00 0.32 N ATOM 2489 CA ALA B 69 158.665 10.872 -4.526 1.00 0.31 C ATOM 2490 C ALA B 69 159.345 10.590 -5.868 1.00 0.31 C ATOM 2491 O ALA B 69 158.889 11.026 -6.907 1.00 0.32 O ATOM 2492 CB ALA B 69 157.714 9.722 -4.184 1.00 0.31 C ATOM 0 H ALA B 69 156.917 12.084 -4.331 1.00 0.32 H new ATOM 0 HA ALA B 69 159.420 10.962 -3.745 1.00 0.31 H new ATOM 0 HB1 ALA B 69 158.278 8.792 -4.112 1.00 0.31 H new ATOM 0 HB2 ALA B 69 157.226 9.925 -3.231 1.00 0.31 H new ATOM 0 HB3 ALA B 69 156.960 9.629 -4.965 1.00 0.31 H new ATOM 2498 N ASN B 70 160.435 9.868 -5.860 1.00 0.29 N ATOM 2499 CA ASN B 70 161.147 9.567 -7.141 1.00 0.29 C ATOM 2500 C ASN B 70 160.611 8.263 -7.742 1.00 0.29 C ATOM 2501 O ASN B 70 159.829 7.555 -7.141 1.00 0.29 O ATOM 2502 CB ASN B 70 162.658 9.418 -6.866 1.00 0.29 C ATOM 2503 CG ASN B 70 163.353 10.784 -6.921 1.00 1.07 C ATOM 2504 OD1 ASN B 70 162.749 11.779 -7.270 1.00 1.91 O ATOM 2505 ND2 ASN B 70 164.615 10.868 -6.599 1.00 1.78 N ATOM 0 H ASN B 70 160.864 9.473 -5.023 1.00 0.29 H new ATOM 0 HA ASN B 70 160.979 10.383 -7.844 1.00 0.29 H new ATOM 0 HB2 ASN B 70 162.812 8.965 -5.887 1.00 0.29 H new ATOM 0 HB3 ASN B 70 163.103 8.748 -7.601 1.00 0.29 H new ATOM 0 HD21 ASN B 70 165.093 11.768 -6.640 1.00 1.78 H new ATOM 0 HD22 ASN B 70 165.123 10.034 -6.306 1.00 1.78 H new ATOM 2512 N ALA B 71 161.039 7.955 -8.935 1.00 0.31 N ATOM 2513 CA ALA B 71 160.580 6.712 -9.612 1.00 0.33 C ATOM 2514 C ALA B 71 160.963 5.486 -8.778 1.00 0.31 C ATOM 2515 O ALA B 71 160.274 4.490 -8.780 1.00 0.31 O ATOM 2516 CB ALA B 71 161.247 6.613 -10.985 1.00 0.38 C ATOM 0 H ALA B 71 161.695 8.519 -9.475 1.00 0.31 H new ATOM 0 HA ALA B 71 159.496 6.745 -9.723 1.00 0.33 H new ATOM 0 HB1 ALA B 71 160.915 5.704 -11.486 1.00 0.38 H new ATOM 0 HB2 ALA B 71 160.973 7.480 -11.586 1.00 0.38 H new ATOM 0 HB3 ALA B 71 162.330 6.585 -10.862 1.00 0.38 H new ATOM 2522 N LYS B 72 162.067 5.541 -8.084 1.00 0.29 N ATOM 2523 CA LYS B 72 162.504 4.362 -7.276 1.00 0.28 C ATOM 2524 C LYS B 72 161.578 4.156 -6.078 1.00 0.26 C ATOM 2525 O LYS B 72 161.201 3.048 -5.747 1.00 0.26 O ATOM 2526 CB LYS B 72 163.932 4.633 -6.742 1.00 0.28 C ATOM 2527 CG LYS B 72 164.989 3.878 -7.546 1.00 1.18 C ATOM 2528 CD LYS B 72 166.367 4.203 -6.951 1.00 1.28 C ATOM 2529 CE LYS B 72 167.502 3.664 -7.847 1.00 2.10 C ATOM 2530 NZ LYS B 72 168.326 2.703 -7.061 1.00 2.57 N ATOM 0 H LYS B 72 162.686 6.350 -8.040 1.00 0.29 H new ATOM 0 HA LYS B 72 162.478 3.473 -7.907 1.00 0.28 H new ATOM 0 HB2 LYS B 72 164.139 5.702 -6.783 1.00 0.28 H new ATOM 0 HB3 LYS B 72 163.991 4.337 -5.695 1.00 0.28 H new ATOM 0 HG2 LYS B 72 164.802 2.805 -7.507 1.00 1.18 H new ATOM 0 HG3 LYS B 72 164.949 4.171 -8.595 1.00 1.18 H new ATOM 0 HD2 LYS B 72 166.471 5.282 -6.837 1.00 1.28 H new ATOM 0 HD3 LYS B 72 166.448 3.767 -5.955 1.00 1.28 H new ATOM 0 HE2 LYS B 72 167.086 3.172 -8.726 1.00 2.10 H new ATOM 0 HE3 LYS B 72 168.122 4.486 -8.205 1.00 2.10 H new ATOM 0 HZ1 LYS B 72 169.094 2.335 -7.658 1.00 2.57 H new ATOM 0 HZ2 LYS B 72 168.732 3.188 -6.235 1.00 2.57 H new ATOM 0 HZ3 LYS B 72 167.728 1.915 -6.740 1.00 2.57 H new ATOM 2544 N GLN B 73 161.259 5.209 -5.396 1.00 0.25 N ATOM 2545 CA GLN B 73 160.422 5.084 -4.186 1.00 0.24 C ATOM 2546 C GLN B 73 158.992 4.705 -4.544 1.00 0.25 C ATOM 2547 O GLN B 73 158.311 4.050 -3.780 1.00 0.25 O ATOM 2548 CB GLN B 73 160.493 6.400 -3.422 1.00 0.26 C ATOM 2549 CG GLN B 73 161.977 6.702 -3.170 1.00 0.28 C ATOM 2550 CD GLN B 73 162.128 7.845 -2.178 1.00 1.25 C ATOM 2551 OE1 GLN B 73 161.446 8.838 -2.277 1.00 2.12 O ATOM 2552 NE2 GLN B 73 163.020 7.747 -1.229 1.00 1.89 N ATOM 0 H GLN B 73 161.545 6.160 -5.628 1.00 0.25 H new ATOM 0 HA GLN B 73 160.796 4.281 -3.551 1.00 0.24 H new ATOM 0 HB2 GLN B 73 160.029 7.203 -3.995 1.00 0.26 H new ATOM 0 HB3 GLN B 73 159.950 6.327 -2.480 1.00 0.26 H new ATOM 0 HG2 GLN B 73 162.475 5.812 -2.786 1.00 0.28 H new ATOM 0 HG3 GLN B 73 162.466 6.961 -4.109 1.00 0.28 H new ATOM 0 HE21 GLN B 73 163.592 6.906 -1.152 1.00 1.89 H new ATOM 0 HE22 GLN B 73 163.145 8.511 -0.565 1.00 1.89 H new ATOM 2561 N SER B 74 158.520 5.087 -5.699 1.00 0.26 N ATOM 2562 CA SER B 74 157.136 4.711 -6.076 1.00 0.27 C ATOM 2563 C SER B 74 157.090 3.197 -6.331 1.00 0.26 C ATOM 2564 O SER B 74 156.129 2.534 -5.994 1.00 0.26 O ATOM 2565 CB SER B 74 156.723 5.489 -7.344 1.00 0.30 C ATOM 2566 OG SER B 74 157.618 6.576 -7.533 1.00 1.36 O ATOM 0 H SER B 74 159.030 5.638 -6.389 1.00 0.26 H new ATOM 0 HA SER B 74 156.441 4.961 -5.274 1.00 0.27 H new ATOM 0 HB2 SER B 74 156.742 4.831 -8.212 1.00 0.30 H new ATOM 0 HB3 SER B 74 155.701 5.856 -7.244 1.00 0.30 H new ATOM 0 HG SER B 74 157.363 7.074 -8.338 1.00 1.36 H new ATOM 2572 N ARG B 75 158.125 2.640 -6.923 1.00 0.27 N ATOM 2573 CA ARG B 75 158.136 1.172 -7.194 1.00 0.27 C ATOM 2574 C ARG B 75 158.020 0.397 -5.886 1.00 0.26 C ATOM 2575 O ARG B 75 157.360 -0.621 -5.822 1.00 0.26 O ATOM 2576 CB ARG B 75 159.440 0.768 -7.881 1.00 0.29 C ATOM 2577 CG ARG B 75 159.468 1.296 -9.313 1.00 0.32 C ATOM 2578 CD ARG B 75 160.703 0.734 -10.013 1.00 0.61 C ATOM 2579 NE ARG B 75 160.748 1.239 -11.414 1.00 1.35 N ATOM 2580 CZ ARG B 75 161.791 1.001 -12.157 1.00 1.82 C ATOM 2581 NH1 ARG B 75 162.761 0.259 -11.695 1.00 1.89 N ATOM 2582 NH2 ARG B 75 161.859 1.487 -13.366 1.00 2.81 N ATOM 0 H ARG B 75 158.959 3.142 -7.228 1.00 0.27 H new ATOM 0 HA ARG B 75 157.291 0.941 -7.842 1.00 0.27 H new ATOM 0 HB2 ARG B 75 160.290 1.162 -7.324 1.00 0.29 H new ATOM 0 HB3 ARG B 75 159.536 -0.318 -7.884 1.00 0.29 H new ATOM 0 HG2 ARG B 75 158.564 0.999 -9.844 1.00 0.32 H new ATOM 0 HG3 ARG B 75 159.495 2.386 -9.314 1.00 0.32 H new ATOM 0 HD2 ARG B 75 161.605 1.031 -9.478 1.00 0.61 H new ATOM 0 HD3 ARG B 75 160.674 -0.356 -10.008 1.00 0.61 H new ATOM 0 HE ARG B 75 159.963 1.770 -11.791 1.00 1.35 H new ATOM 0 HH11 ARG B 75 162.700 -0.132 -10.755 1.00 1.89 H new ATOM 0 HH12 ARG B 75 163.579 0.071 -12.274 1.00 1.89 H new ATOM 0 HH21 ARG B 75 161.094 2.055 -13.731 1.00 2.81 H new ATOM 0 HH22 ARG B 75 162.677 1.299 -13.946 1.00 2.81 H new ATOM 2596 N ASP B 76 158.675 0.835 -4.848 1.00 0.24 N ATOM 2597 CA ASP B 76 158.627 0.093 -3.562 1.00 0.24 C ATOM 2598 C ASP B 76 157.225 0.165 -2.968 1.00 0.22 C ATOM 2599 O ASP B 76 156.719 -0.807 -2.443 1.00 0.22 O ATOM 2600 CB ASP B 76 159.633 0.709 -2.586 1.00 0.23 C ATOM 2601 CG ASP B 76 161.056 0.398 -3.057 1.00 0.25 C ATOM 2602 OD1 ASP B 76 161.213 -0.534 -3.830 1.00 0.40 O ATOM 2603 OD2 ASP B 76 161.964 1.097 -2.639 1.00 0.39 O ATOM 0 H ASP B 76 159.245 1.681 -4.837 1.00 0.24 H new ATOM 0 HA ASP B 76 158.881 -0.952 -3.740 1.00 0.24 H new ATOM 0 HB2 ASP B 76 159.485 1.787 -2.527 1.00 0.23 H new ATOM 0 HB3 ASP B 76 159.475 0.310 -1.584 1.00 0.23 H new ATOM 2608 N CYS B 77 156.580 1.293 -3.054 1.00 0.22 N ATOM 2609 CA CYS B 77 155.205 1.395 -2.500 1.00 0.21 C ATOM 2610 C CYS B 77 154.239 0.564 -3.351 1.00 0.22 C ATOM 2611 O CYS B 77 153.349 -0.079 -2.832 1.00 0.21 O ATOM 2612 CB CYS B 77 154.765 2.859 -2.505 1.00 0.22 C ATOM 2613 SG CYS B 77 155.620 3.749 -1.181 1.00 0.23 S ATOM 0 H CYS B 77 156.944 2.144 -3.482 1.00 0.22 H new ATOM 0 HA CYS B 77 155.197 1.015 -1.478 1.00 0.21 H new ATOM 0 HB2 CYS B 77 154.991 3.315 -3.469 1.00 0.22 H new ATOM 0 HB3 CYS B 77 153.686 2.926 -2.366 1.00 0.22 H new ATOM 0 HG CYS B 77 156.285 2.905 -0.449 1.00 0.23 H new ATOM 2619 N PHE B 78 154.383 0.579 -4.651 1.00 0.23 N ATOM 2620 CA PHE B 78 153.437 -0.206 -5.495 1.00 0.25 C ATOM 2621 C PHE B 78 153.518 -1.687 -5.129 1.00 0.24 C ATOM 2622 O PHE B 78 152.547 -2.289 -4.717 1.00 0.23 O ATOM 2623 CB PHE B 78 153.797 -0.023 -6.973 1.00 0.28 C ATOM 2624 CG PHE B 78 152.875 -0.863 -7.825 1.00 0.32 C ATOM 2625 CD1 PHE B 78 151.656 -0.328 -8.283 1.00 0.36 C ATOM 2626 CD2 PHE B 78 153.238 -2.181 -8.168 1.00 0.38 C ATOM 2627 CE1 PHE B 78 150.799 -1.111 -9.082 1.00 0.40 C ATOM 2628 CE2 PHE B 78 152.381 -2.963 -8.966 1.00 0.43 C ATOM 2629 CZ PHE B 78 151.161 -2.428 -9.423 1.00 0.42 C ATOM 0 H PHE B 78 155.104 1.093 -5.158 1.00 0.23 H new ATOM 0 HA PHE B 78 152.422 0.150 -5.320 1.00 0.25 H new ATOM 0 HB2 PHE B 78 153.711 1.027 -7.252 1.00 0.28 H new ATOM 0 HB3 PHE B 78 154.833 -0.314 -7.144 1.00 0.28 H new ATOM 0 HD1 PHE B 78 151.378 0.682 -8.022 1.00 0.36 H new ATOM 0 HD2 PHE B 78 154.174 -2.591 -7.819 1.00 0.38 H new ATOM 0 HE1 PHE B 78 149.864 -0.700 -9.433 1.00 0.40 H new ATOM 0 HE2 PHE B 78 152.659 -3.973 -9.228 1.00 0.43 H new ATOM 0 HZ PHE B 78 150.503 -3.028 -10.035 1.00 0.42 H new ATOM 2639 N GLY B 79 154.667 -2.282 -5.286 1.00 0.25 N ATOM 2640 CA GLY B 79 154.814 -3.728 -4.958 1.00 0.25 C ATOM 2641 C GLY B 79 154.519 -3.971 -3.475 1.00 0.23 C ATOM 2642 O GLY B 79 154.015 -5.007 -3.095 1.00 0.24 O ATOM 0 H GLY B 79 155.514 -1.828 -5.628 1.00 0.25 H new ATOM 0 HA2 GLY B 79 154.134 -4.318 -5.572 1.00 0.25 H new ATOM 0 HA3 GLY B 79 155.825 -4.060 -5.194 1.00 0.25 H new ATOM 2646 N CYS B 80 154.829 -3.028 -2.633 1.00 0.22 N ATOM 2647 CA CYS B 80 154.563 -3.225 -1.179 1.00 0.21 C ATOM 2648 C CYS B 80 153.056 -3.201 -0.911 1.00 0.21 C ATOM 2649 O CYS B 80 152.523 -4.071 -0.251 1.00 0.22 O ATOM 2650 CB CYS B 80 155.232 -2.110 -0.377 1.00 0.22 C ATOM 2651 SG CYS B 80 154.755 -2.256 1.363 1.00 0.24 S ATOM 0 H CYS B 80 155.252 -2.134 -2.884 1.00 0.22 H new ATOM 0 HA CYS B 80 154.968 -4.191 -0.876 1.00 0.21 H new ATOM 0 HB2 CYS B 80 156.316 -2.175 -0.476 1.00 0.22 H new ATOM 0 HB3 CYS B 80 154.934 -1.137 -0.767 1.00 0.22 H new ATOM 0 HG CYS B 80 154.544 -1.072 1.856 1.00 0.24 H new ATOM 2657 N LEU B 81 152.361 -2.223 -1.423 1.00 0.21 N ATOM 2658 CA LEU B 81 150.888 -2.181 -1.189 1.00 0.21 C ATOM 2659 C LEU B 81 150.220 -3.313 -1.971 1.00 0.21 C ATOM 2660 O LEU B 81 149.294 -3.945 -1.501 1.00 0.22 O ATOM 2661 CB LEU B 81 150.327 -0.846 -1.688 1.00 0.22 C ATOM 2662 CG LEU B 81 150.929 0.331 -0.898 1.00 0.24 C ATOM 2663 CD1 LEU B 81 150.505 1.670 -1.567 1.00 0.29 C ATOM 2664 CD2 LEU B 81 150.448 0.269 0.569 1.00 0.28 C ATOM 0 H LEU B 81 152.741 -1.461 -1.985 1.00 0.21 H new ATOM 0 HA LEU B 81 150.690 -2.292 -0.123 1.00 0.21 H new ATOM 0 HB2 LEU B 81 150.547 -0.728 -2.749 1.00 0.22 H new ATOM 0 HB3 LEU B 81 149.242 -0.841 -1.585 1.00 0.22 H new ATOM 0 HG LEU B 81 152.017 0.268 -0.905 1.00 0.24 H new ATOM 0 HD11 LEU B 81 150.930 2.505 -1.010 1.00 0.29 H new ATOM 0 HD12 LEU B 81 150.870 1.695 -2.594 1.00 0.29 H new ATOM 0 HD13 LEU B 81 149.418 1.749 -1.566 1.00 0.29 H new ATOM 0 HD21 LEU B 81 150.875 1.102 1.127 1.00 0.28 H new ATOM 0 HD22 LEU B 81 149.360 0.332 0.598 1.00 0.28 H new ATOM 0 HD23 LEU B 81 150.769 -0.671 1.018 1.00 0.28 H new ATOM 2676 N ARG B 82 150.672 -3.559 -3.167 1.00 0.22 N ATOM 2677 CA ARG B 82 150.055 -4.633 -3.995 1.00 0.24 C ATOM 2678 C ARG B 82 150.234 -6.000 -3.330 1.00 0.25 C ATOM 2679 O ARG B 82 149.333 -6.816 -3.325 1.00 0.26 O ATOM 2680 CB ARG B 82 150.716 -4.647 -5.373 1.00 0.28 C ATOM 2681 CG ARG B 82 150.092 -5.747 -6.237 1.00 0.32 C ATOM 2682 CD ARG B 82 150.733 -5.733 -7.621 1.00 0.85 C ATOM 2683 NE ARG B 82 150.382 -7.001 -8.319 1.00 1.42 N ATOM 2684 CZ ARG B 82 150.667 -7.157 -9.579 1.00 1.96 C ATOM 2685 NH1 ARG B 82 151.299 -6.216 -10.225 1.00 2.26 N ATOM 2686 NH2 ARG B 82 150.332 -8.259 -10.190 1.00 2.74 N ATOM 0 H ARG B 82 151.445 -3.062 -3.609 1.00 0.22 H new ATOM 0 HA ARG B 82 148.988 -4.432 -4.093 1.00 0.24 H new ATOM 0 HB2 ARG B 82 150.591 -3.678 -5.856 1.00 0.28 H new ATOM 0 HB3 ARG B 82 151.788 -4.817 -5.271 1.00 0.28 H new ATOM 0 HG2 ARG B 82 150.238 -6.720 -5.767 1.00 0.32 H new ATOM 0 HG3 ARG B 82 149.016 -5.592 -6.321 1.00 0.32 H new ATOM 0 HD2 ARG B 82 150.379 -4.875 -8.193 1.00 0.85 H new ATOM 0 HD3 ARG B 82 151.815 -5.635 -7.536 1.00 0.85 H new ATOM 0 HE ARG B 82 149.916 -7.750 -7.807 1.00 1.42 H new ATOM 0 HH11 ARG B 82 151.569 -5.359 -9.742 1.00 2.26 H new ATOM 0 HH12 ARG B 82 151.523 -6.337 -11.213 1.00 2.26 H new ATOM 0 HH21 ARG B 82 149.847 -8.998 -9.680 1.00 2.74 H new ATOM 0 HH22 ARG B 82 150.555 -8.383 -11.178 1.00 2.74 H new ATOM 2700 N GLU B 83 151.383 -6.266 -2.776 1.00 0.25 N ATOM 2701 CA GLU B 83 151.595 -7.590 -2.129 1.00 0.27 C ATOM 2702 C GLU B 83 150.772 -7.691 -0.845 1.00 0.27 C ATOM 2703 O GLU B 83 150.237 -8.736 -0.535 1.00 0.28 O ATOM 2704 CB GLU B 83 153.083 -7.819 -1.834 1.00 0.29 C ATOM 2705 CG GLU B 83 153.826 -8.115 -3.145 1.00 0.33 C ATOM 2706 CD GLU B 83 155.263 -8.540 -2.838 1.00 1.20 C ATOM 2707 OE1 GLU B 83 155.599 -8.623 -1.668 1.00 1.91 O ATOM 2708 OE2 GLU B 83 156.002 -8.781 -3.778 1.00 1.57 O ATOM 0 H GLU B 83 152.179 -5.629 -2.743 1.00 0.25 H new ATOM 0 HA GLU B 83 151.262 -8.366 -2.818 1.00 0.27 H new ATOM 0 HB2 GLU B 83 153.509 -6.938 -1.353 1.00 0.29 H new ATOM 0 HB3 GLU B 83 153.203 -8.651 -1.140 1.00 0.29 H new ATOM 0 HG2 GLU B 83 153.313 -8.904 -3.695 1.00 0.33 H new ATOM 0 HG3 GLU B 83 153.826 -7.230 -3.782 1.00 0.33 H new ATOM 2715 N TRP B 84 150.628 -6.624 -0.100 1.00 0.25 N ATOM 2716 CA TRP B 84 149.802 -6.699 1.135 1.00 0.25 C ATOM 2717 C TRP B 84 148.377 -7.098 0.737 1.00 0.26 C ATOM 2718 O TRP B 84 147.754 -7.938 1.354 1.00 0.28 O ATOM 2719 CB TRP B 84 149.780 -5.336 1.832 1.00 0.25 C ATOM 2720 CG TRP B 84 149.066 -5.468 3.138 1.00 0.27 C ATOM 2721 CD1 TRP B 84 149.661 -5.764 4.317 1.00 0.30 C ATOM 2722 CD2 TRP B 84 147.643 -5.333 3.418 1.00 0.29 C ATOM 2723 NE1 TRP B 84 148.696 -5.818 5.306 1.00 0.32 N ATOM 2724 CE2 TRP B 84 147.436 -5.562 4.805 1.00 0.32 C ATOM 2725 CE3 TRP B 84 146.519 -5.037 2.613 1.00 0.31 C ATOM 2726 CZ2 TRP B 84 146.158 -5.502 5.374 1.00 0.35 C ATOM 2727 CZ3 TRP B 84 145.229 -4.977 3.183 1.00 0.35 C ATOM 2728 CH2 TRP B 84 145.051 -5.210 4.561 1.00 0.36 C ATOM 0 H TRP B 84 151.044 -5.713 -0.294 1.00 0.25 H new ATOM 0 HA TRP B 84 150.223 -7.434 1.821 1.00 0.25 H new ATOM 0 HB2 TRP B 84 150.797 -4.980 1.994 1.00 0.25 H new ATOM 0 HB3 TRP B 84 149.280 -4.600 1.203 1.00 0.25 H new ATOM 0 HD1 TRP B 84 150.718 -5.931 4.462 1.00 0.30 H new ATOM 0 HE1 TRP B 84 148.892 -6.022 6.286 1.00 0.32 H new ATOM 0 HE3 TRP B 84 146.648 -4.856 1.556 1.00 0.31 H new ATOM 0 HZ2 TRP B 84 146.025 -5.679 6.431 1.00 0.35 H new ATOM 0 HZ3 TRP B 84 144.376 -4.752 2.561 1.00 0.35 H new ATOM 0 HH2 TRP B 84 144.062 -5.164 4.993 1.00 0.36 H new ATOM 2739 N CYS B 85 147.862 -6.484 -0.296 1.00 0.27 N ATOM 2740 CA CYS B 85 146.479 -6.805 -0.753 1.00 0.30 C ATOM 2741 C CYS B 85 146.400 -8.275 -1.166 1.00 0.33 C ATOM 2742 O CYS B 85 145.432 -8.957 -0.893 1.00 0.36 O ATOM 2743 CB CYS B 85 146.117 -5.915 -1.946 1.00 0.33 C ATOM 2744 SG CYS B 85 145.711 -4.253 -1.355 1.00 0.33 S ATOM 0 H CYS B 85 148.343 -5.771 -0.845 1.00 0.27 H new ATOM 0 HA CYS B 85 145.778 -6.624 0.062 1.00 0.30 H new ATOM 0 HB2 CYS B 85 146.951 -5.870 -2.647 1.00 0.33 H new ATOM 0 HB3 CYS B 85 145.270 -6.338 -2.486 1.00 0.33 H new ATOM 0 HG CYS B 85 145.406 -3.495 -2.366 1.00 0.33 H new ATOM 2750 N ASP B 86 147.411 -8.769 -1.821 1.00 0.34 N ATOM 2751 CA ASP B 86 147.397 -10.193 -2.252 1.00 0.40 C ATOM 2752 C ASP B 86 147.242 -11.093 -1.025 1.00 0.41 C ATOM 2753 O ASP B 86 146.671 -12.163 -1.095 1.00 0.43 O ATOM 2754 CB ASP B 86 148.709 -10.526 -2.968 1.00 0.42 C ATOM 2755 CG ASP B 86 148.750 -9.812 -4.321 1.00 0.43 C ATOM 2756 OD1 ASP B 86 147.695 -9.434 -4.801 1.00 0.55 O ATOM 2757 OD2 ASP B 86 149.837 -9.656 -4.853 1.00 0.52 O ATOM 0 H ASP B 86 148.249 -8.247 -2.077 1.00 0.34 H new ATOM 0 HA ASP B 86 146.562 -10.358 -2.933 1.00 0.40 H new ATOM 0 HB2 ASP B 86 149.557 -10.218 -2.357 1.00 0.42 H new ATOM 0 HB3 ASP B 86 148.794 -11.603 -3.111 1.00 0.42 H new ATOM 2762 N ALA B 87 147.765 -10.675 0.098 1.00 0.40 N ATOM 2763 CA ALA B 87 147.669 -11.516 1.330 1.00 0.43 C ATOM 2764 C ALA B 87 146.436 -11.138 2.162 1.00 0.43 C ATOM 2765 O ALA B 87 145.865 -11.972 2.836 1.00 0.47 O ATOM 2766 CB ALA B 87 148.922 -11.301 2.182 1.00 0.40 C ATOM 0 H ALA B 87 148.255 -9.788 0.216 1.00 0.40 H new ATOM 0 HA ALA B 87 147.582 -12.560 1.028 1.00 0.43 H new ATOM 0 HB1 ALA B 87 148.859 -11.912 3.083 1.00 0.40 H new ATOM 0 HB2 ALA B 87 149.804 -11.588 1.610 1.00 0.40 H new ATOM 0 HB3 ALA B 87 148.996 -10.250 2.461 1.00 0.40 H new ATOM 2772 N PHE B 88 146.061 -9.879 2.175 1.00 0.39 N ATOM 2773 CA PHE B 88 144.905 -9.435 3.032 1.00 0.44 C ATOM 2774 C PHE B 88 143.661 -9.044 2.213 1.00 0.54 C ATOM 2775 O PHE B 88 142.635 -8.723 2.779 1.00 1.24 O ATOM 2776 CB PHE B 88 145.351 -8.223 3.845 1.00 0.41 C ATOM 2777 CG PHE B 88 146.382 -8.638 4.869 1.00 0.38 C ATOM 2778 CD1 PHE B 88 145.976 -9.260 6.065 1.00 0.43 C ATOM 2779 CD2 PHE B 88 147.750 -8.390 4.634 1.00 0.35 C ATOM 2780 CE1 PHE B 88 146.936 -9.634 7.026 1.00 0.46 C ATOM 2781 CE2 PHE B 88 148.709 -8.761 5.596 1.00 0.39 C ATOM 2782 CZ PHE B 88 148.302 -9.383 6.791 1.00 0.44 C ATOM 0 H PHE B 88 146.503 -9.138 1.631 1.00 0.39 H new ATOM 0 HA PHE B 88 144.624 -10.276 3.666 1.00 0.44 H new ATOM 0 HB2 PHE B 88 145.769 -7.465 3.183 1.00 0.41 H new ATOM 0 HB3 PHE B 88 144.492 -7.773 4.343 1.00 0.41 H new ATOM 0 HD1 PHE B 88 144.928 -9.450 6.246 1.00 0.43 H new ATOM 0 HD2 PHE B 88 148.062 -7.915 3.716 1.00 0.35 H new ATOM 0 HE1 PHE B 88 146.625 -10.113 7.943 1.00 0.46 H new ATOM 0 HE2 PHE B 88 149.756 -8.568 5.417 1.00 0.39 H new ATOM 0 HZ PHE B 88 149.038 -9.668 7.529 1.00 0.44 H new ATOM 2792 N LEU B 89 143.718 -9.054 0.906 1.00 0.39 N ATOM 2793 CA LEU B 89 142.505 -8.666 0.107 1.00 0.36 C ATOM 2794 C LEU B 89 142.499 -9.444 -1.210 1.00 0.87 C ATOM 2795 O LEU B 89 141.975 -10.546 -1.220 1.00 1.43 O ATOM 2796 CB LEU B 89 142.546 -7.149 -0.171 1.00 0.74 C ATOM 2797 CG LEU B 89 141.326 -6.675 -1.003 1.00 0.47 C ATOM 2798 CD1 LEU B 89 140.070 -6.576 -0.127 1.00 1.00 C ATOM 2799 CD2 LEU B 89 141.627 -5.283 -1.570 1.00 1.27 C ATOM 2800 OXT LEU B 89 143.014 -8.924 -2.185 1.00 1.67 O ATOM 0 H LEU B 89 144.539 -9.310 0.358 1.00 0.39 H new ATOM 0 HA LEU B 89 141.598 -8.903 0.664 1.00 0.36 H new ATOM 0 HB2 LEU B 89 142.571 -6.608 0.775 1.00 0.74 H new ATOM 0 HB3 LEU B 89 143.465 -6.903 -0.703 1.00 0.74 H new ATOM 0 HG LEU B 89 141.148 -7.396 -1.801 1.00 0.47 H new ATOM 0 HD11 LEU B 89 139.229 -6.242 -0.734 1.00 1.00 H new ATOM 0 HD12 LEU B 89 139.845 -7.554 0.298 1.00 1.00 H new ATOM 0 HD13 LEU B 89 140.243 -5.862 0.678 1.00 1.00 H new ATOM 0 HD21 LEU B 89 140.776 -4.938 -2.158 1.00 1.27 H new ATOM 0 HD22 LEU B 89 141.808 -4.588 -0.750 1.00 1.27 H new ATOM 0 HD23 LEU B 89 142.511 -5.332 -2.206 1.00 1.27 H new TER 2812 LEU B 89 END