USER MOD reduce.3.24.130724 H: found=0, std=0, add=1648, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1646 hydrogens (38 hets) HEADER ASPARTYL PROTEASE 16-JAN-96 1BVG TITLE HIV-1 PROTEASE-DMP323 COMPLEX IN SOLUTION, NMR MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: HIV-1 PROTEASE; COMPND 3 CHAIN: A, B; COMPND 4 EC: 3.4.23.16; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; SOURCE 3 ORGANISM_TAXID: 11676; SOURCE 4 STRAIN: HXB2; SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 6 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 7 EXPRESSION_SYSTEM_PLASMID: PET11A KEYWDS AIDS, POLYPROTEIN, HYDROLASE, ASPARTYL PROTEASE, KEYWDS 2 ENDONUCLEASE, RNA-DIRECTED DNA POLYMERASE EXPDTA SOLUTION NMR AUTHOR T.YAMAZAKI,A.P.HINCK,Y.-X.WANG,L.K.NICHOLSON,D.A.TORCHIA, AUTHOR 2 P.WINGFIELD,S.J.STAHL,J.D.KAUFMAN,C.CHANG,P.J.DOMAILLE, AUTHOR 3 P.Y.S.LAM REVDAT 2 24-FEB-09 1BVG 1 VERSN REVDAT 1 17-AUG-96 1BVG 0 JRNL AUTH T.YAMAZAKI,A.P.HINCK,Y.X.WANG,L.K.NICHOLSON, JRNL AUTH 2 D.A.TORCHIA,P.WINGFIELD,S.J.STAHL,J.D.KAUFMAN, JRNL AUTH 3 C.H.CHANG,P.J.DOMAILLE,P.Y.LAM JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE HIV-1 JRNL TITL 2 PROTEASE COMPLEXED WITH DMP323, A NOVEL CYCLIC JRNL TITL 3 UREA-TYPE INHIBITOR, DETERMINED BY NUCLEAR JRNL TITL 4 MAGNETIC RESONANCE SPECTROSCOPY. JRNL REF PROTEIN SCI. V. 5 495 1996 JRNL REFN ISSN 0961-8368 JRNL PMID 8868486 REMARK 1 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1BVG COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XPLOR 3.1 REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 28 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : MINIMIZED REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: THIS ENTRY CONTAINS MINIMIZED AVERAGE 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 THR A 4 -71.98 -114.69 REMARK 500 LEU A 5 37.35 38.64 REMARK 500 TRP A 6 51.38 18.04 REMARK 500 LEU A 24 95.46 -43.94 REMARK 500 GLU A 34 155.67 -44.27 REMARK 500 ARG A 41 47.21 77.19 REMARK 500 GLN A 58 95.35 -63.66 REMARK 500 GLN A 61 60.20 84.35 REMARK 500 LEU A 63 86.08 -66.23 REMARK 500 PRO A 79 42.63 -80.64 REMARK 500 THR B 4 -73.26 -119.79 REMARK 500 LEU B 5 37.91 38.93 REMARK 500 TRP B 6 50.94 17.92 REMARK 500 LEU B 24 95.71 -44.87 REMARK 500 GLU B 34 156.73 -42.39 REMARK 500 ARG B 41 81.54 54.65 REMARK 500 GLN B 58 93.80 -58.02 REMARK 500 GLN B 61 62.38 81.82 REMARK 500 LEU B 63 85.29 -65.21 REMARK 500 PRO B 79 41.83 -80.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG A 8 0.12 SIDE_CHAIN REMARK 500 ARG A 41 0.29 SIDE_CHAIN REMARK 500 ARG A 57 0.30 SIDE_CHAIN REMARK 500 ARG A 87 0.20 SIDE_CHAIN REMARK 500 ARG B 8 0.22 SIDE_CHAIN REMARK 500 ARG B 41 0.28 SIDE_CHAIN REMARK 500 ARG B 57 0.32 SIDE_CHAIN REMARK 500 ARG B 87 0.22 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE DMP B 100 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BVE RELATED DB: PDB DBREF 1BVG A 1 99 UNP P04585 POL_HV1H2 57 155 DBREF 1BVG B 1 99 UNP P04585 POL_HV1H2 57 155 SEQADV 1BVG ALA A 95 UNP P04585 CYS 151 ENGINEERED SEQADV 1BVG ALA B 95 UNP P04585 CYS 151 ENGINEERED SEQRES 1 A 99 PRO GLN VAL THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 A 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 A 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO SEQRES 4 A 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 A 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 A 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 A 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 A 99 GLN ILE GLY ALA THR LEU ASN PHE SEQRES 1 B 99 PRO GLN VAL THR LEU TRP GLN ARG PRO LEU VAL THR ILE SEQRES 2 B 99 LYS ILE GLY GLY GLN LEU LYS GLU ALA LEU LEU ASP THR SEQRES 3 B 99 GLY ALA ASP ASP THR VAL LEU GLU GLU MET SER LEU PRO SEQRES 4 B 99 GLY ARG TRP LYS PRO LYS MET ILE GLY GLY ILE GLY GLY SEQRES 5 B 99 PHE ILE LYS VAL ARG GLN TYR ASP GLN ILE LEU ILE GLU SEQRES 6 B 99 ILE CYS GLY HIS LYS ALA ILE GLY THR VAL LEU VAL GLY SEQRES 7 B 99 PRO THR PRO VAL ASN ILE ILE GLY ARG ASN LEU LEU THR SEQRES 8 B 99 GLN ILE GLY ALA THR LEU ASN PHE HET DMP B 100 80 HETNAM DMP [4-R-(-4-ALPHA,5-ALPHA,6-BETA,7-BETA)]-HEXAHYDRO-5,6- HETNAM 2 DMP BIS(HYDROXY)-[1,3-BIS([4-HYDROXYMETHYL-PHENYL]METHYL)- HETNAM 3 DMP 4,7-BIS(PHENYLMETHYL)]-2H-1,3-DIAZEPINONE HETSYN DMP DMP323(INHIBITOR OF DUPONT MERCK) FORMUL 3 DMP C35 H38 N2 O5 HELIX 1 1 ARG A 87 LEU A 90 1 4 HELIX 2 2 ARG B 87 LEU B 90 1 4 SHEET 1 A 2 ILE A 13 ILE A 15 0 SHEET 2 A 2 GLN A 18 LYS A 20 -1 N LYS A 20 O ILE A 13 SHEET 1 B 2 THR A 31 GLU A 34 0 SHEET 2 B 2 VAL A 75 GLY A 78 1 N LEU A 76 O THR A 31 SHEET 1 C 2 LYS A 43 GLY A 48 0 SHEET 2 C 2 PHE A 53 GLN A 58 -1 N GLN A 58 O LYS A 43 SHEET 1 D 2 THR A 96 ASN A 98 0 SHEET 2 D 2 THR B 96 ASN B 98 -1 N ASN B 98 O THR A 96 SHEET 1 E 2 LEU B 10 ILE B 13 0 SHEET 2 E 2 LYS B 20 LEU B 23 -1 N ALA B 22 O VAL B 11 SHEET 1 F 2 THR B 31 GLU B 34 0 SHEET 2 F 2 VAL B 75 GLY B 78 1 N LEU B 76 O THR B 31 SHEET 1 G 2 LYS B 43 GLY B 48 0 SHEET 2 G 2 PHE B 53 GLN B 58 -1 N GLN B 58 O LYS B 43 SITE *** AC1 18 ASP A 25 GLY A 27 ALA A 28 ASP A 29 SITE *** AC1 18 ASP A 30 ILE A 47 GLY A 49 ILE A 50 SITE *** AC1 18 ILE A 84 ASP B 25 GLY B 27 ALA B 28 SITE *** AC1 18 ASP B 29 ASP B 30 ILE B 47 GLY B 49 SITE *** AC1 18 ILE B 50 ILE B 84 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 96 THR OG1 : rot 2:sc= 0.649! USER MOD Set 1.2: B 98 ASN :FLIP amide:sc= -4.33! C(o=-10!,f=-3.7!) USER MOD Set 2.1: B 45 LYS NZ :NH3+ -146:sc= 0.00956 (180deg=-0.432) USER MOD Set 2.2: B 58 GLN : amide:sc= -0.649 K(o=-0.64,f=-1.7) USER MOD Set 3.1: B 31 THR OG1 : rot 18:sc= -0.774! USER MOD Set 3.2: B 88 ASN : amide:sc= -16.9! C(o=-18!,f=-22!) USER MOD Set 4.1: A 96 THR OG1 : rot -10:sc= 0.166! USER MOD Set 4.2: A 98 ASN :FLIP amide:sc= -3.52! C(o=-9.3!,f=-3.4!) USER MOD Set 5.1: A 31 THR OG1 : rot 19:sc= -0.882! USER MOD Set 5.2: A 88 ASN : amide:sc= -17.2! C(o=-18!,f=-22!) USER MOD Set 6.1: A 26 THR OG1 : rot -116:sc= -1.86! USER MOD Set 6.2: B 26 THR OG1 : rot 122:sc= -0.985 USER MOD Single : A 2 GLN : amide:sc= -0.186 K(o=-0.19,f=-2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0754 USER MOD Single : A 7 GLN : amide:sc= -0.0398 X(o=-0.04,f=-0.24) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.68! C(o=-2.7!,f=-3.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl -175:sc= -3.98 (180deg=-4.17) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= -0.199 (180deg=-1.42) USER MOD Single : A 46 MET CE :methyl -145:sc= -0.707 (180deg=-1.57!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= -0.0945 X(o=-0.094,f=0) USER MOD Single : A 59 TYR OH : rot 76:sc= 1.09 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 CYS SG : rot -110:sc= -0.897 USER MOD Single : A 69 HIS :FLIP no HD1:sc= -0.925 F(o=-2.7!,f=-0.93) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -108:sc= 1.07 USER MOD Single : A 80 THR OG1 : rot -111:sc= -0.0797 USER MOD Single : A 83 ASN : amide:sc= -6.05 K(o=-6.1,f=-9.1!) USER MOD Single : A 91 THR OG1 : rot -83:sc= 0.303 USER MOD Single : A 92 GLN : amide:sc= -0.0555 X(o=-0.056,f=-0.42) USER MOD Single : B 2 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.9!) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.212 USER MOD Single : B 7 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 18 GLN : amide:sc= -0.7 K(o=-0.7,f=-3.3!) USER MOD Single : B 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 MET CE :methyl 137:sc= -11.6! (180deg=-17.7!) USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 46 MET CE :methyl 137:sc= -4.11! (180deg=-8.3!) USER MOD Single : B 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 59 TYR OH : rot 51:sc= 1.8 USER MOD Single : B 61 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : B 67 CYS SG : rot 130:sc= -0.635 USER MOD Single : B 69 HIS :FLIP no HD1:sc= -1.09 F(o=-3!,f=-1.1) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 74 THR OG1 : rot 180:sc= 0 USER MOD Single : B 80 THR OG1 : rot -110:sc= 0.0997 USER MOD Single : B 83 ASN : amide:sc= -7.88! C(o=-7.9!,f=-13!) USER MOD Single : B 91 THR OG1 : rot -78:sc= 1.21 USER MOD Single : B 92 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.6!) USER MOD Single : B 100 DMP O27 : rot 160:sc= 0 USER MOD Single : B 100 DMP O4 : rot -64:sc= -1.79! USER MOD Single : B 100 DMP O5 : rot -31:sc= 0.793 USER MOD Single : B 100 DMP O77 : rot 150:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -7.501 14.914 3.251 1.00 0.89 N ATOM 2 CA PRO A 1 -6.996 14.427 4.572 1.00 0.89 C ATOM 3 C PRO A 1 -5.518 14.055 4.462 1.00 0.81 C ATOM 4 O PRO A 1 -5.116 13.333 3.573 1.00 0.74 O ATOM 5 CB PRO A 1 -7.797 13.187 4.964 1.00 0.97 C ATOM 6 CG PRO A 1 -8.807 12.931 3.855 1.00 0.99 C ATOM 7 CD PRO A 1 -8.628 14.035 2.813 1.00 0.95 C ATOM 0 H2 PRO A 1 -6.752 14.899 2.559 1.00 0.89 H new ATOM 0 H3 PRO A 1 -7.816 15.881 3.328 1.00 0.89 H new ATOM 0 HA PRO A 1 -7.109 15.210 5.322 1.00 0.89 H new ATOM 0 HB2 PRO A 1 -7.138 12.328 5.089 1.00 0.97 H new ATOM 0 HB3 PRO A 1 -8.303 13.342 5.917 1.00 0.97 H new ATOM 0 HG2 PRO A 1 -8.646 11.950 3.407 1.00 0.99 H new ATOM 0 HG3 PRO A 1 -9.822 12.937 4.251 1.00 0.99 H new ATOM 0 HD2 PRO A 1 -8.415 13.603 1.835 1.00 0.95 H new ATOM 0 HD3 PRO A 1 -9.545 14.615 2.713 1.00 0.95 H new ATOM 17 N GLN A 2 -4.710 14.524 5.371 1.00 0.86 N ATOM 18 CA GLN A 2 -3.265 14.173 5.326 1.00 0.82 C ATOM 19 C GLN A 2 -3.086 12.822 6.013 1.00 0.85 C ATOM 20 O GLN A 2 -3.687 12.558 7.035 1.00 1.01 O ATOM 21 CB GLN A 2 -2.452 15.240 6.064 1.00 0.91 C ATOM 22 CG GLN A 2 -1.019 15.250 5.528 1.00 0.90 C ATOM 23 CD GLN A 2 -0.088 15.866 6.574 1.00 1.15 C ATOM 24 OE1 GLN A 2 -0.335 15.764 7.759 1.00 1.72 O ATOM 25 NE2 GLN A 2 0.980 16.506 6.184 1.00 1.57 N ATOM 0 H GLN A 2 -4.987 15.133 6.141 1.00 0.86 H new ATOM 0 HA GLN A 2 -2.919 14.122 4.294 1.00 0.82 H new ATOM 0 HB2 GLN A 2 -2.909 16.220 5.928 1.00 0.91 H new ATOM 0 HB3 GLN A 2 -2.450 15.035 7.135 1.00 0.91 H new ATOM 0 HG2 GLN A 2 -0.700 14.234 5.294 1.00 0.90 H new ATOM 0 HG3 GLN A 2 -0.970 15.821 4.601 1.00 0.90 H new ATOM 0 HE21 GLN A 2 1.188 16.592 5.189 1.00 1.57 H new ATOM 0 HE22 GLN A 2 1.607 16.920 6.874 1.00 1.57 H new ATOM 34 N VAL A 3 -2.286 11.950 5.465 1.00 0.76 N ATOM 35 CA VAL A 3 -2.118 10.622 6.110 1.00 0.83 C ATOM 36 C VAL A 3 -0.655 10.184 6.038 1.00 0.88 C ATOM 37 O VAL A 3 -0.205 9.632 5.054 1.00 0.86 O ATOM 38 CB VAL A 3 -3.010 9.601 5.395 1.00 0.82 C ATOM 39 CG1 VAL A 3 -2.658 8.187 5.861 1.00 0.98 C ATOM 40 CG2 VAL A 3 -4.475 9.893 5.728 1.00 0.94 C ATOM 0 H VAL A 3 -1.749 12.098 4.610 1.00 0.76 H new ATOM 0 HA VAL A 3 -2.408 10.687 7.159 1.00 0.83 H new ATOM 0 HB VAL A 3 -2.852 9.674 4.319 1.00 0.82 H new ATOM 0 HG11 VAL A 3 -3.295 7.466 5.349 1.00 0.98 H new ATOM 0 HG12 VAL A 3 -1.614 7.977 5.629 1.00 0.98 H new ATOM 0 HG13 VAL A 3 -2.814 8.109 6.937 1.00 0.98 H new ATOM 0 HG21 VAL A 3 -5.114 9.170 5.222 1.00 0.94 H new ATOM 0 HG22 VAL A 3 -4.625 9.819 6.805 1.00 0.94 H new ATOM 0 HG23 VAL A 3 -4.730 10.899 5.394 1.00 0.94 H new ATOM 50 N THR A 4 0.084 10.418 7.087 1.00 1.05 N ATOM 51 CA THR A 4 1.515 10.009 7.102 1.00 1.16 C ATOM 52 C THR A 4 1.702 8.927 8.168 1.00 1.60 C ATOM 53 O THR A 4 1.887 7.766 7.859 1.00 2.29 O ATOM 54 CB THR A 4 2.392 11.218 7.438 1.00 1.17 C ATOM 55 OG1 THR A 4 1.716 12.046 8.373 1.00 1.65 O ATOM 56 CG2 THR A 4 2.679 12.012 6.163 1.00 1.35 C ATOM 0 H THR A 4 -0.244 10.877 7.937 1.00 1.05 H new ATOM 0 HA THR A 4 1.803 9.623 6.124 1.00 1.16 H new ATOM 0 HB THR A 4 3.333 10.877 7.869 1.00 1.17 H new ATOM 0 HG1 THR A 4 2.277 12.820 8.590 1.00 1.65 H new ATOM 0 HG21 THR A 4 3.303 12.873 6.403 1.00 1.35 H new ATOM 0 HG22 THR A 4 3.199 11.375 5.447 1.00 1.35 H new ATOM 0 HG23 THR A 4 1.740 12.355 5.729 1.00 1.35 H new ATOM 64 N LEU A 5 1.640 9.303 9.420 1.00 1.72 N ATOM 65 CA LEU A 5 1.799 8.308 10.521 1.00 2.31 C ATOM 66 C LEU A 5 2.873 7.284 10.151 1.00 1.71 C ATOM 67 O LEU A 5 2.747 6.119 10.466 1.00 2.08 O ATOM 68 CB LEU A 5 0.469 7.586 10.750 1.00 3.25 C ATOM 69 CG LEU A 5 -0.519 8.537 11.427 1.00 4.04 C ATOM 70 CD1 LEU A 5 -1.790 8.640 10.582 1.00 4.72 C ATOM 71 CD2 LEU A 5 -0.873 7.998 12.815 1.00 4.51 C ATOM 0 H LEU A 5 1.485 10.263 9.728 1.00 1.72 H new ATOM 0 HA LEU A 5 2.099 8.828 11.431 1.00 2.31 H new ATOM 0 HB2 LEU A 5 0.063 7.239 9.800 1.00 3.25 H new ATOM 0 HB3 LEU A 5 0.624 6.704 11.371 1.00 3.25 H new ATOM 0 HG LEU A 5 -0.066 9.524 11.523 1.00 4.04 H new ATOM 0 HD11 LEU A 5 -2.494 9.318 11.065 1.00 4.72 H new ATOM 0 HD12 LEU A 5 -1.539 9.022 9.592 1.00 4.72 H new ATOM 0 HD13 LEU A 5 -2.244 7.654 10.486 1.00 4.72 H new ATOM 0 HD21 LEU A 5 -1.577 8.675 13.299 1.00 4.51 H new ATOM 0 HD22 LEU A 5 -1.326 7.011 12.718 1.00 4.51 H new ATOM 0 HD23 LEU A 5 0.032 7.924 13.418 1.00 4.51 H new ATOM 83 N TRP A 6 3.921 7.731 9.493 1.00 1.11 N ATOM 84 CA TRP A 6 5.044 6.826 9.066 1.00 1.04 C ATOM 85 C TRP A 6 4.612 5.358 9.085 1.00 1.12 C ATOM 86 O TRP A 6 5.264 4.513 9.666 1.00 1.35 O ATOM 87 CB TRP A 6 6.216 7.006 10.025 1.00 1.38 C ATOM 88 CG TRP A 6 7.057 8.162 9.585 1.00 1.34 C ATOM 89 CD1 TRP A 6 6.581 9.368 9.199 1.00 1.51 C ATOM 90 CD2 TRP A 6 8.508 8.241 9.479 1.00 1.33 C ATOM 91 NE1 TRP A 6 7.647 10.183 8.863 1.00 1.56 N ATOM 92 CE2 TRP A 6 8.856 9.533 9.019 1.00 1.42 C ATOM 93 CE3 TRP A 6 9.546 7.327 9.734 1.00 1.47 C ATOM 94 CZ2 TRP A 6 10.186 9.905 8.819 1.00 1.52 C ATOM 95 CZ3 TRP A 6 10.886 7.698 9.534 1.00 1.62 C ATOM 96 CH2 TRP A 6 11.205 8.985 9.078 1.00 1.60 C ATOM 0 H TRP A 6 4.048 8.708 9.228 1.00 1.11 H new ATOM 0 HA TRP A 6 5.331 7.090 8.048 1.00 1.04 H new ATOM 0 HB2 TRP A 6 5.847 7.177 11.036 1.00 1.38 H new ATOM 0 HB3 TRP A 6 6.817 6.097 10.054 1.00 1.38 H new ATOM 0 HD1 TRP A 6 5.539 9.649 9.160 1.00 1.51 H new ATOM 0 HE1 TRP A 6 7.552 11.146 8.540 1.00 1.56 H new ATOM 0 HE3 TRP A 6 9.311 6.333 10.086 1.00 1.47 H new ATOM 0 HZ2 TRP A 6 10.426 10.897 8.466 1.00 1.52 H new ATOM 0 HZ3 TRP A 6 11.675 6.988 9.733 1.00 1.62 H new ATOM 0 HH2 TRP A 6 12.237 9.265 8.927 1.00 1.60 H new ATOM 107 N GLN A 7 3.514 5.057 8.455 1.00 1.12 N ATOM 108 CA GLN A 7 3.023 3.651 8.430 1.00 1.30 C ATOM 109 C GLN A 7 2.092 3.461 7.229 1.00 1.15 C ATOM 110 O GLN A 7 2.027 4.293 6.345 1.00 1.30 O ATOM 111 CB GLN A 7 2.256 3.362 9.722 1.00 1.55 C ATOM 112 CG GLN A 7 3.220 2.818 10.778 1.00 1.85 C ATOM 113 CD GLN A 7 2.479 1.840 11.691 1.00 2.22 C ATOM 114 OE1 GLN A 7 1.875 0.894 11.224 1.00 2.86 O ATOM 115 NE2 GLN A 7 2.499 2.028 12.981 1.00 2.54 N ATOM 0 H GLN A 7 2.931 5.727 7.953 1.00 1.12 H new ATOM 0 HA GLN A 7 3.868 2.967 8.347 1.00 1.30 H new ATOM 0 HB2 GLN A 7 1.778 4.272 10.085 1.00 1.55 H new ATOM 0 HB3 GLN A 7 1.462 2.639 9.532 1.00 1.55 H new ATOM 0 HG2 GLN A 7 4.059 2.317 10.296 1.00 1.85 H new ATOM 0 HG3 GLN A 7 3.633 3.638 11.365 1.00 1.85 H new ATOM 0 HE21 GLN A 7 3.006 2.822 13.373 1.00 2.54 H new ATOM 0 HE22 GLN A 7 2.008 1.381 13.598 1.00 2.54 H new ATOM 124 N ARG A 8 1.371 2.373 7.188 1.00 1.00 N ATOM 125 CA ARG A 8 0.447 2.135 6.043 1.00 0.87 C ATOM 126 C ARG A 8 -0.776 3.052 6.175 1.00 0.81 C ATOM 127 O ARG A 8 -1.505 2.962 7.142 1.00 0.94 O ATOM 128 CB ARG A 8 -0.014 0.675 6.057 1.00 0.90 C ATOM 129 CG ARG A 8 1.196 -0.242 6.245 1.00 1.06 C ATOM 130 CD ARG A 8 0.727 -1.696 6.324 1.00 1.24 C ATOM 131 NE ARG A 8 1.409 -2.377 7.460 1.00 1.90 N ATOM 132 CZ ARG A 8 0.861 -3.421 8.019 1.00 2.28 C ATOM 133 NH1 ARG A 8 0.005 -4.144 7.351 1.00 2.86 N ATOM 134 NH2 ARG A 8 1.169 -3.741 9.247 1.00 2.73 N ATOM 0 H ARG A 8 1.382 1.640 7.897 1.00 1.00 H new ATOM 0 HA ARG A 8 0.965 2.348 5.108 1.00 0.87 H new ATOM 0 HB2 ARG A 8 -0.732 0.517 6.862 1.00 0.90 H new ATOM 0 HB3 ARG A 8 -0.524 0.435 5.124 1.00 0.90 H new ATOM 0 HG2 ARG A 8 1.892 -0.118 5.415 1.00 1.06 H new ATOM 0 HG3 ARG A 8 1.733 0.028 7.155 1.00 1.06 H new ATOM 0 HD2 ARG A 8 -0.354 -1.734 6.459 1.00 1.24 H new ATOM 0 HD3 ARG A 8 0.949 -2.212 5.390 1.00 1.24 H new ATOM 0 HE ARG A 8 2.304 -2.027 7.801 1.00 1.90 H new ATOM 0 HH11 ARG A 8 -0.236 -3.893 6.392 1.00 2.86 H new ATOM 0 HH12 ARG A 8 -0.424 -4.960 7.788 1.00 2.86 H new ATOM 0 HH21 ARG A 8 1.838 -3.175 9.769 1.00 2.73 H new ATOM 0 HH22 ARG A 8 0.741 -4.557 9.684 1.00 2.73 H new ATOM 148 N PRO A 9 -0.971 3.904 5.198 1.00 0.71 N ATOM 149 CA PRO A 9 -2.107 4.842 5.187 1.00 0.74 C ATOM 150 C PRO A 9 -3.389 4.114 4.771 1.00 0.67 C ATOM 151 O PRO A 9 -3.842 4.225 3.649 1.00 0.64 O ATOM 152 CB PRO A 9 -1.704 5.885 4.142 1.00 0.80 C ATOM 153 CG PRO A 9 -0.658 5.206 3.227 1.00 0.75 C ATOM 154 CD PRO A 9 -0.087 4.015 4.020 1.00 0.69 C ATOM 0 HA PRO A 9 -2.310 5.285 6.162 1.00 0.74 H new ATOM 0 HB2 PRO A 9 -2.570 6.212 3.566 1.00 0.80 H new ATOM 0 HB3 PRO A 9 -1.285 6.771 4.619 1.00 0.80 H new ATOM 0 HG2 PRO A 9 -1.117 4.868 2.298 1.00 0.75 H new ATOM 0 HG3 PRO A 9 0.132 5.906 2.956 1.00 0.75 H new ATOM 0 HD2 PRO A 9 -0.098 3.100 3.427 1.00 0.69 H new ATOM 0 HD3 PRO A 9 0.947 4.192 4.314 1.00 0.69 H new ATOM 162 N LEU A 10 -3.972 3.365 5.667 1.00 0.72 N ATOM 163 CA LEU A 10 -5.218 2.625 5.324 1.00 0.71 C ATOM 164 C LEU A 10 -6.430 3.545 5.495 1.00 0.77 C ATOM 165 O LEU A 10 -6.453 4.404 6.355 1.00 0.89 O ATOM 166 CB LEU A 10 -5.359 1.412 6.248 1.00 0.81 C ATOM 167 CG LEU A 10 -4.882 0.158 5.514 1.00 0.78 C ATOM 168 CD1 LEU A 10 -3.743 -0.497 6.297 1.00 0.99 C ATOM 169 CD2 LEU A 10 -6.042 -0.830 5.386 1.00 0.72 C ATOM 0 H LEU A 10 -3.639 3.234 6.622 1.00 0.72 H new ATOM 0 HA LEU A 10 -5.167 2.290 4.288 1.00 0.71 H new ATOM 0 HB2 LEU A 10 -4.773 1.561 7.155 1.00 0.81 H new ATOM 0 HB3 LEU A 10 -6.398 1.294 6.556 1.00 0.81 H new ATOM 0 HG LEU A 10 -4.526 0.436 4.522 1.00 0.78 H new ATOM 0 HD11 LEU A 10 -3.406 -1.390 5.771 1.00 0.99 H new ATOM 0 HD12 LEU A 10 -2.914 0.205 6.389 1.00 0.99 H new ATOM 0 HD13 LEU A 10 -4.096 -0.773 7.291 1.00 0.99 H new ATOM 0 HD21 LEU A 10 -5.702 -1.724 4.863 1.00 0.72 H new ATOM 0 HD22 LEU A 10 -6.398 -1.104 6.379 1.00 0.72 H new ATOM 0 HD23 LEU A 10 -6.854 -0.367 4.825 1.00 0.72 H new ATOM 181 N VAL A 11 -7.438 3.373 4.682 1.00 0.73 N ATOM 182 CA VAL A 11 -8.646 4.237 4.798 1.00 0.82 C ATOM 183 C VAL A 11 -9.904 3.362 4.807 1.00 0.80 C ATOM 184 O VAL A 11 -10.060 2.477 3.989 1.00 0.84 O ATOM 185 CB VAL A 11 -8.702 5.206 3.607 1.00 0.81 C ATOM 186 CG1 VAL A 11 -7.296 5.719 3.295 1.00 0.73 C ATOM 187 CG2 VAL A 11 -9.251 4.486 2.371 1.00 0.85 C ATOM 0 H VAL A 11 -7.476 2.671 3.943 1.00 0.73 H new ATOM 0 HA VAL A 11 -8.595 4.807 5.726 1.00 0.82 H new ATOM 0 HB VAL A 11 -9.354 6.041 3.864 1.00 0.81 H new ATOM 0 HG11 VAL A 11 -7.339 6.406 2.450 1.00 0.73 H new ATOM 0 HG12 VAL A 11 -6.897 6.239 4.166 1.00 0.73 H new ATOM 0 HG13 VAL A 11 -6.649 4.878 3.047 1.00 0.73 H new ATOM 0 HG21 VAL A 11 -9.287 5.180 1.532 1.00 0.85 H new ATOM 0 HG22 VAL A 11 -8.602 3.647 2.120 1.00 0.85 H new ATOM 0 HG23 VAL A 11 -10.255 4.118 2.581 1.00 0.85 H new ATOM 197 N THR A 12 -10.810 3.609 5.714 1.00 0.81 N ATOM 198 CA THR A 12 -12.058 2.795 5.750 1.00 0.84 C ATOM 199 C THR A 12 -12.855 3.073 4.475 1.00 0.76 C ATOM 200 O THR A 12 -13.461 4.116 4.327 1.00 0.82 O ATOM 201 CB THR A 12 -12.893 3.182 6.973 1.00 0.99 C ATOM 202 OG1 THR A 12 -12.037 3.354 8.094 1.00 1.10 O ATOM 203 CG2 THR A 12 -13.910 2.079 7.269 1.00 1.07 C ATOM 0 H THR A 12 -10.741 4.335 6.427 1.00 0.81 H new ATOM 0 HA THR A 12 -11.810 1.735 5.814 1.00 0.84 H new ATOM 0 HB THR A 12 -13.421 4.114 6.772 1.00 0.99 H new ATOM 0 HG1 THR A 12 -12.570 3.604 8.877 1.00 1.10 H new ATOM 0 HG21 THR A 12 -14.504 2.356 8.140 1.00 1.07 H new ATOM 0 HG22 THR A 12 -14.567 1.949 6.409 1.00 1.07 H new ATOM 0 HG23 THR A 12 -13.385 1.145 7.470 1.00 1.07 H new ATOM 211 N ILE A 13 -12.842 2.161 3.543 1.00 0.68 N ATOM 212 CA ILE A 13 -13.582 2.391 2.271 1.00 0.62 C ATOM 213 C ILE A 13 -15.010 1.857 2.378 1.00 0.64 C ATOM 214 O ILE A 13 -15.290 0.937 3.120 1.00 0.68 O ATOM 215 CB ILE A 13 -12.855 1.681 1.129 1.00 0.54 C ATOM 216 CG1 ILE A 13 -13.037 0.167 1.261 1.00 0.54 C ATOM 217 CG2 ILE A 13 -11.368 2.019 1.192 1.00 0.56 C ATOM 218 CD1 ILE A 13 -13.610 -0.390 -0.043 1.00 0.65 C ATOM 0 H ILE A 13 -12.352 1.269 3.607 1.00 0.68 H new ATOM 0 HA ILE A 13 -13.624 3.462 2.075 1.00 0.62 H new ATOM 0 HB ILE A 13 -13.269 2.011 0.176 1.00 0.54 H new ATOM 0 HG12 ILE A 13 -12.081 -0.307 1.483 1.00 0.54 H new ATOM 0 HG13 ILE A 13 -13.706 -0.059 2.091 1.00 0.54 H new ATOM 0 HG21 ILE A 13 -10.845 1.515 0.379 1.00 0.56 H new ATOM 0 HG22 ILE A 13 -11.235 3.097 1.095 1.00 0.56 H new ATOM 0 HG23 ILE A 13 -10.960 1.688 2.147 1.00 0.56 H new ATOM 0 HD11 ILE A 13 -13.741 -1.468 0.048 1.00 0.65 H new ATOM 0 HD12 ILE A 13 -14.574 0.076 -0.245 1.00 0.65 H new ATOM 0 HD13 ILE A 13 -12.924 -0.176 -0.863 1.00 0.65 H new ATOM 230 N LYS A 14 -15.914 2.429 1.631 1.00 0.64 N ATOM 231 CA LYS A 14 -17.327 1.962 1.669 1.00 0.67 C ATOM 232 C LYS A 14 -17.768 1.588 0.251 1.00 0.61 C ATOM 233 O LYS A 14 -18.205 2.425 -0.513 1.00 0.62 O ATOM 234 CB LYS A 14 -18.222 3.082 2.204 1.00 0.77 C ATOM 235 CG LYS A 14 -19.442 2.474 2.899 1.00 0.86 C ATOM 236 CD LYS A 14 -20.270 3.587 3.545 1.00 1.07 C ATOM 237 CE LYS A 14 -20.940 3.055 4.813 1.00 1.18 C ATOM 238 NZ LYS A 14 -22.139 3.883 5.126 1.00 1.58 N ATOM 0 H LYS A 14 -15.733 3.204 0.993 1.00 0.64 H new ATOM 0 HA LYS A 14 -17.410 1.093 2.322 1.00 0.67 H new ATOM 0 HB2 LYS A 14 -17.664 3.704 2.904 1.00 0.77 H new ATOM 0 HB3 LYS A 14 -18.541 3.729 1.387 1.00 0.77 H new ATOM 0 HG2 LYS A 14 -20.049 1.927 2.178 1.00 0.86 H new ATOM 0 HG3 LYS A 14 -19.123 1.758 3.656 1.00 0.86 H new ATOM 0 HD2 LYS A 14 -19.631 4.436 3.788 1.00 1.07 H new ATOM 0 HD3 LYS A 14 -21.025 3.946 2.845 1.00 1.07 H new ATOM 0 HE2 LYS A 14 -21.230 2.014 4.674 1.00 1.18 H new ATOM 0 HE3 LYS A 14 -20.238 3.082 5.647 1.00 1.18 H new ATOM 0 HZ1 LYS A 14 -22.595 3.522 5.988 1.00 1.58 H new ATOM 0 HZ2 LYS A 14 -21.849 4.871 5.275 1.00 1.58 H new ATOM 0 HZ3 LYS A 14 -22.810 3.835 4.333 1.00 1.58 H new ATOM 252 N ILE A 15 -17.648 0.338 -0.111 1.00 0.58 N ATOM 253 CA ILE A 15 -18.047 -0.082 -1.481 1.00 0.55 C ATOM 254 C ILE A 15 -19.196 -1.094 -1.397 1.00 0.62 C ATOM 255 O ILE A 15 -19.308 -1.846 -0.450 1.00 0.71 O ATOM 256 CB ILE A 15 -16.843 -0.720 -2.170 1.00 0.51 C ATOM 257 CG1 ILE A 15 -15.923 0.379 -2.703 1.00 0.52 C ATOM 258 CG2 ILE A 15 -17.303 -1.601 -3.332 1.00 0.69 C ATOM 259 CD1 ILE A 15 -14.522 -0.191 -2.926 1.00 0.81 C ATOM 0 H ILE A 15 -17.291 -0.409 0.485 1.00 0.58 H new ATOM 0 HA ILE A 15 -18.382 0.784 -2.052 1.00 0.55 H new ATOM 0 HB ILE A 15 -16.307 -1.336 -1.448 1.00 0.51 H new ATOM 0 HG12 ILE A 15 -16.318 0.777 -3.638 1.00 0.52 H new ATOM 0 HG13 ILE A 15 -15.882 1.208 -1.996 1.00 0.52 H new ATOM 0 HG21 ILE A 15 -16.435 -2.050 -3.814 1.00 0.69 H new ATOM 0 HG22 ILE A 15 -17.956 -2.388 -2.955 1.00 0.69 H new ATOM 0 HG23 ILE A 15 -17.847 -0.994 -4.056 1.00 0.69 H new ATOM 0 HD11 ILE A 15 -13.867 0.593 -3.306 1.00 0.81 H new ATOM 0 HD12 ILE A 15 -14.128 -0.568 -1.982 1.00 0.81 H new ATOM 0 HD13 ILE A 15 -14.571 -1.005 -3.649 1.00 0.81 H new ATOM 271 N GLY A 16 -20.041 -1.125 -2.392 1.00 0.66 N ATOM 272 CA GLY A 16 -21.176 -2.092 -2.387 1.00 0.76 C ATOM 273 C GLY A 16 -21.801 -2.162 -0.992 1.00 0.84 C ATOM 274 O GLY A 16 -21.927 -3.222 -0.412 1.00 1.21 O ATOM 0 H GLY A 16 -19.994 -0.520 -3.211 1.00 0.66 H new ATOM 0 HA2 GLY A 16 -21.927 -1.787 -3.116 1.00 0.76 H new ATOM 0 HA3 GLY A 16 -20.824 -3.079 -2.686 1.00 0.76 H new ATOM 278 N GLY A 17 -22.199 -1.044 -0.450 1.00 0.81 N ATOM 279 CA GLY A 17 -22.820 -1.054 0.905 1.00 0.88 C ATOM 280 C GLY A 17 -21.990 -1.933 1.842 1.00 0.90 C ATOM 281 O GLY A 17 -22.516 -2.751 2.571 1.00 1.09 O ATOM 0 H GLY A 17 -22.121 -0.125 -0.886 1.00 0.81 H new ATOM 0 HA2 GLY A 17 -22.877 -0.039 1.298 1.00 0.88 H new ATOM 0 HA3 GLY A 17 -23.841 -1.431 0.846 1.00 0.88 H new ATOM 285 N GLN A 18 -20.698 -1.766 1.830 1.00 0.83 N ATOM 286 CA GLN A 18 -19.828 -2.584 2.720 1.00 0.87 C ATOM 287 C GLN A 18 -18.685 -1.711 3.236 1.00 0.83 C ATOM 288 O GLN A 18 -18.442 -0.637 2.728 1.00 0.79 O ATOM 289 CB GLN A 18 -19.255 -3.765 1.933 1.00 0.88 C ATOM 290 CG GLN A 18 -20.388 -4.717 1.544 1.00 1.15 C ATOM 291 CD GLN A 18 -19.972 -6.157 1.849 1.00 1.64 C ATOM 292 OE1 GLN A 18 -18.799 -6.454 1.954 1.00 2.32 O ATOM 293 NE2 GLN A 18 -20.892 -7.072 1.998 1.00 2.32 N ATOM 0 H GLN A 18 -20.205 -1.096 1.240 1.00 0.83 H new ATOM 0 HA GLN A 18 -20.412 -2.962 3.559 1.00 0.87 H new ATOM 0 HB2 GLN A 18 -18.744 -3.407 1.039 1.00 0.88 H new ATOM 0 HB3 GLN A 18 -18.514 -4.291 2.535 1.00 0.88 H new ATOM 0 HG2 GLN A 18 -21.294 -4.465 2.094 1.00 1.15 H new ATOM 0 HG3 GLN A 18 -20.619 -4.611 0.484 1.00 1.15 H new ATOM 0 HE21 GLN A 18 -21.877 -6.824 1.910 1.00 2.32 H new ATOM 0 HE22 GLN A 18 -20.625 -8.035 2.202 1.00 2.32 H new ATOM 302 N LEU A 19 -17.981 -2.157 4.239 1.00 0.87 N ATOM 303 CA LEU A 19 -16.858 -1.337 4.776 1.00 0.86 C ATOM 304 C LEU A 19 -15.664 -2.237 5.094 1.00 0.86 C ATOM 305 O LEU A 19 -15.789 -3.240 5.768 1.00 0.95 O ATOM 306 CB LEU A 19 -17.306 -0.624 6.052 1.00 0.97 C ATOM 307 CG LEU A 19 -18.029 0.673 5.688 1.00 0.97 C ATOM 308 CD1 LEU A 19 -18.636 1.291 6.949 1.00 1.10 C ATOM 309 CD2 LEU A 19 -17.031 1.656 5.072 1.00 1.18 C ATOM 0 H LEU A 19 -18.133 -3.050 4.709 1.00 0.87 H new ATOM 0 HA LEU A 19 -16.567 -0.600 4.028 1.00 0.86 H new ATOM 0 HB2 LEU A 19 -17.967 -1.271 6.629 1.00 0.97 H new ATOM 0 HB3 LEU A 19 -16.443 -0.407 6.681 1.00 0.97 H new ATOM 0 HG LEU A 19 -18.821 0.458 4.971 1.00 0.97 H new ATOM 0 HD11 LEU A 19 -19.151 2.216 6.689 1.00 1.10 H new ATOM 0 HD12 LEU A 19 -19.346 0.592 7.391 1.00 1.10 H new ATOM 0 HD13 LEU A 19 -17.844 1.506 7.666 1.00 1.10 H new ATOM 0 HD21 LEU A 19 -17.545 2.581 4.812 1.00 1.18 H new ATOM 0 HD22 LEU A 19 -16.240 1.870 5.791 1.00 1.18 H new ATOM 0 HD23 LEU A 19 -16.596 1.218 4.174 1.00 1.18 H new ATOM 321 N LYS A 20 -14.508 -1.880 4.614 1.00 0.79 N ATOM 322 CA LYS A 20 -13.296 -2.701 4.884 1.00 0.81 C ATOM 323 C LYS A 20 -12.066 -1.790 4.893 1.00 0.76 C ATOM 324 O LYS A 20 -12.123 -0.654 4.467 1.00 0.77 O ATOM 325 CB LYS A 20 -13.144 -3.760 3.790 1.00 0.78 C ATOM 326 CG LYS A 20 -14.407 -4.623 3.739 1.00 1.03 C ATOM 327 CD LYS A 20 -14.144 -5.868 2.890 1.00 1.41 C ATOM 328 CE LYS A 20 -15.387 -6.190 2.059 1.00 1.66 C ATOM 329 NZ LYS A 20 -15.569 -7.667 1.989 1.00 2.34 N ATOM 0 H LYS A 20 -14.349 -1.050 4.043 1.00 0.79 H new ATOM 0 HA LYS A 20 -13.392 -3.195 5.851 1.00 0.81 H new ATOM 0 HB2 LYS A 20 -12.978 -3.281 2.825 1.00 0.78 H new ATOM 0 HB3 LYS A 20 -12.272 -4.383 3.990 1.00 0.78 H new ATOM 0 HG2 LYS A 20 -14.702 -4.914 4.747 1.00 1.03 H new ATOM 0 HG3 LYS A 20 -15.234 -4.051 3.318 1.00 1.03 H new ATOM 0 HD2 LYS A 20 -13.289 -5.701 2.235 1.00 1.41 H new ATOM 0 HD3 LYS A 20 -13.894 -6.713 3.532 1.00 1.41 H new ATOM 0 HE2 LYS A 20 -16.266 -5.725 2.505 1.00 1.66 H new ATOM 0 HE3 LYS A 20 -15.283 -5.778 1.055 1.00 1.66 H new ATOM 0 HZ1 LYS A 20 -16.414 -7.886 1.424 1.00 2.34 H new ATOM 0 HZ2 LYS A 20 -14.734 -8.099 1.545 1.00 2.34 H new ATOM 0 HZ3 LYS A 20 -15.686 -8.048 2.949 1.00 2.34 H new ATOM 343 N GLU A 21 -10.955 -2.275 5.373 1.00 0.81 N ATOM 344 CA GLU A 21 -9.729 -1.428 5.403 1.00 0.77 C ATOM 345 C GLU A 21 -9.089 -1.421 4.013 1.00 0.66 C ATOM 346 O GLU A 21 -8.957 -2.447 3.376 1.00 1.05 O ATOM 347 CB GLU A 21 -8.738 -1.996 6.422 1.00 0.95 C ATOM 348 CG GLU A 21 -9.473 -2.334 7.720 1.00 1.17 C ATOM 349 CD GLU A 21 -8.903 -3.626 8.309 1.00 1.83 C ATOM 350 OE1 GLU A 21 -8.840 -4.606 7.585 1.00 2.46 O ATOM 351 OE2 GLU A 21 -8.538 -3.612 9.473 1.00 2.50 O ATOM 0 H GLU A 21 -10.842 -3.218 5.745 1.00 0.81 H new ATOM 0 HA GLU A 21 -9.994 -0.410 5.689 1.00 0.77 H new ATOM 0 HB2 GLU A 21 -8.260 -2.889 6.020 1.00 0.95 H new ATOM 0 HB3 GLU A 21 -7.947 -1.272 6.618 1.00 0.95 H new ATOM 0 HG2 GLU A 21 -9.365 -1.518 8.434 1.00 1.17 H new ATOM 0 HG3 GLU A 21 -10.539 -2.450 7.527 1.00 1.17 H new ATOM 358 N ALA A 22 -8.697 -0.272 3.534 1.00 0.57 N ATOM 359 CA ALA A 22 -8.076 -0.203 2.181 1.00 0.42 C ATOM 360 C ALA A 22 -6.622 0.242 2.298 1.00 0.42 C ATOM 361 O ALA A 22 -6.318 1.254 2.897 1.00 0.54 O ATOM 362 CB ALA A 22 -8.838 0.803 1.322 1.00 0.48 C ATOM 0 H ALA A 22 -8.780 0.621 4.020 1.00 0.57 H new ATOM 0 HA ALA A 22 -8.117 -1.190 1.721 1.00 0.42 H new ATOM 0 HB1 ALA A 22 -8.384 0.854 0.332 1.00 0.48 H new ATOM 0 HB2 ALA A 22 -9.877 0.488 1.229 1.00 0.48 H new ATOM 0 HB3 ALA A 22 -8.797 1.786 1.791 1.00 0.48 H new ATOM 368 N LEU A 23 -5.720 -0.496 1.717 1.00 0.41 N ATOM 369 CA LEU A 23 -4.291 -0.104 1.782 1.00 0.43 C ATOM 370 C LEU A 23 -4.029 0.959 0.720 1.00 0.39 C ATOM 371 O LEU A 23 -3.913 0.653 -0.449 1.00 0.36 O ATOM 372 CB LEU A 23 -3.417 -1.329 1.510 1.00 0.46 C ATOM 373 CG LEU A 23 -1.961 -0.895 1.339 1.00 0.48 C ATOM 374 CD1 LEU A 23 -1.389 -0.478 2.695 1.00 0.60 C ATOM 375 CD2 LEU A 23 -1.146 -2.062 0.779 1.00 0.56 C ATOM 0 H LEU A 23 -5.913 -1.354 1.200 1.00 0.41 H new ATOM 0 HA LEU A 23 -4.054 0.292 2.769 1.00 0.43 H new ATOM 0 HB2 LEU A 23 -3.501 -2.038 2.334 1.00 0.46 H new ATOM 0 HB3 LEU A 23 -3.762 -1.842 0.612 1.00 0.46 H new ATOM 0 HG LEU A 23 -1.911 -0.052 0.650 1.00 0.48 H new ATOM 0 HD11 LEU A 23 -0.351 -0.169 2.572 1.00 0.60 H new ATOM 0 HD12 LEU A 23 -1.970 0.353 3.095 1.00 0.60 H new ATOM 0 HD13 LEU A 23 -1.438 -1.320 3.385 1.00 0.60 H new ATOM 0 HD21 LEU A 23 -0.107 -1.755 0.656 1.00 0.56 H new ATOM 0 HD22 LEU A 23 -1.196 -2.905 1.469 1.00 0.56 H new ATOM 0 HD23 LEU A 23 -1.553 -2.359 -0.187 1.00 0.56 H new ATOM 387 N LEU A 24 -3.942 2.205 1.113 1.00 0.41 N ATOM 388 CA LEU A 24 -3.688 3.281 0.115 1.00 0.40 C ATOM 389 C LEU A 24 -2.594 2.805 -0.836 1.00 0.39 C ATOM 390 O LEU A 24 -1.417 2.898 -0.547 1.00 0.53 O ATOM 391 CB LEU A 24 -3.240 4.554 0.834 1.00 0.48 C ATOM 392 CG LEU A 24 -4.447 5.469 1.043 1.00 0.53 C ATOM 393 CD1 LEU A 24 -4.012 6.733 1.785 1.00 0.88 C ATOM 394 CD2 LEU A 24 -5.035 5.855 -0.316 1.00 0.70 C ATOM 0 H LEU A 24 -4.036 2.520 2.079 1.00 0.41 H new ATOM 0 HA LEU A 24 -4.597 3.500 -0.445 1.00 0.40 H new ATOM 0 HB2 LEU A 24 -2.789 4.303 1.794 1.00 0.48 H new ATOM 0 HB3 LEU A 24 -2.478 5.067 0.248 1.00 0.48 H new ATOM 0 HG LEU A 24 -5.200 4.945 1.632 1.00 0.53 H new ATOM 0 HD11 LEU A 24 -4.874 7.383 1.933 1.00 0.88 H new ATOM 0 HD12 LEU A 24 -3.593 6.460 2.754 1.00 0.88 H new ATOM 0 HD13 LEU A 24 -3.258 7.258 1.198 1.00 0.88 H new ATOM 0 HD21 LEU A 24 -5.896 6.507 -0.168 1.00 0.70 H new ATOM 0 HD22 LEU A 24 -4.280 6.378 -0.904 1.00 0.70 H new ATOM 0 HD23 LEU A 24 -5.348 4.955 -0.846 1.00 0.70 H new ATOM 406 N ASP A 25 -2.978 2.261 -1.954 1.00 0.38 N ATOM 407 CA ASP A 25 -1.972 1.736 -2.911 1.00 0.40 C ATOM 408 C ASP A 25 -1.702 2.747 -4.018 1.00 0.39 C ATOM 409 O ASP A 25 -2.080 2.547 -5.155 1.00 0.42 O ATOM 410 CB ASP A 25 -2.503 0.447 -3.531 1.00 0.43 C ATOM 411 CG ASP A 25 -1.337 -0.376 -4.079 1.00 0.59 C ATOM 412 OD1 ASP A 25 -0.239 -0.224 -3.569 1.00 1.37 O ATOM 413 OD2 ASP A 25 -1.563 -1.144 -4.998 1.00 1.18 O ATOM 0 H ASP A 25 -3.950 2.157 -2.246 1.00 0.38 H new ATOM 0 HA ASP A 25 -1.042 1.547 -2.376 1.00 0.40 H new ATOM 0 HB2 ASP A 25 -3.049 -0.130 -2.784 1.00 0.43 H new ATOM 0 HB3 ASP A 25 -3.206 0.679 -4.331 1.00 0.43 H new ATOM 418 N THR A 26 -1.026 3.816 -3.714 1.00 0.41 N ATOM 419 CA THR A 26 -0.716 4.801 -4.775 1.00 0.44 C ATOM 420 C THR A 26 0.130 4.107 -5.841 1.00 0.45 C ATOM 421 O THR A 26 0.291 4.597 -6.941 1.00 0.54 O ATOM 422 CB THR A 26 0.058 5.969 -4.178 1.00 0.51 C ATOM 423 OG1 THR A 26 -0.534 6.351 -2.943 1.00 0.61 O ATOM 424 CG2 THR A 26 0.026 7.148 -5.146 1.00 0.60 C ATOM 0 H THR A 26 -0.678 4.047 -2.783 1.00 0.41 H new ATOM 0 HA THR A 26 -1.636 5.182 -5.218 1.00 0.44 H new ATOM 0 HB THR A 26 1.092 5.669 -4.006 1.00 0.51 H new ATOM 0 HG1 THR A 26 -0.884 7.263 -3.017 1.00 0.61 H new ATOM 0 HG21 THR A 26 0.580 7.984 -4.719 1.00 0.60 H new ATOM 0 HG22 THR A 26 0.483 6.855 -6.091 1.00 0.60 H new ATOM 0 HG23 THR A 26 -1.007 7.448 -5.320 1.00 0.60 H new ATOM 432 N GLY A 27 0.669 2.958 -5.519 1.00 0.41 N ATOM 433 CA GLY A 27 1.501 2.220 -6.507 1.00 0.43 C ATOM 434 C GLY A 27 0.601 1.627 -7.598 1.00 0.44 C ATOM 435 O GLY A 27 0.922 1.664 -8.769 1.00 0.52 O ATOM 0 H GLY A 27 0.566 2.502 -4.612 1.00 0.41 H new ATOM 0 HA2 GLY A 27 2.235 2.891 -6.952 1.00 0.43 H new ATOM 0 HA3 GLY A 27 2.056 1.426 -6.008 1.00 0.43 H new ATOM 439 N ALA A 28 -0.523 1.076 -7.221 1.00 0.42 N ATOM 440 CA ALA A 28 -1.439 0.475 -8.236 1.00 0.44 C ATOM 441 C ALA A 28 -2.082 1.583 -9.073 1.00 0.44 C ATOM 442 O ALA A 28 -2.121 2.731 -8.677 1.00 0.49 O ATOM 443 CB ALA A 28 -2.530 -0.329 -7.528 1.00 0.41 C ATOM 0 H ALA A 28 -0.846 1.016 -6.255 1.00 0.42 H new ATOM 0 HA ALA A 28 -0.868 -0.184 -8.890 1.00 0.44 H new ATOM 0 HB1 ALA A 28 -3.198 -0.767 -8.269 1.00 0.41 H new ATOM 0 HB2 ALA A 28 -2.072 -1.123 -6.938 1.00 0.41 H new ATOM 0 HB3 ALA A 28 -3.099 0.329 -6.871 1.00 0.41 H new ATOM 449 N ASP A 29 -2.587 1.247 -10.229 1.00 0.50 N ATOM 450 CA ASP A 29 -3.227 2.278 -11.094 1.00 0.56 C ATOM 451 C ASP A 29 -4.744 2.235 -10.903 1.00 0.49 C ATOM 452 O ASP A 29 -5.461 3.103 -11.359 1.00 0.52 O ATOM 453 CB ASP A 29 -2.890 1.995 -12.560 1.00 0.70 C ATOM 454 CG ASP A 29 -1.374 2.057 -12.757 1.00 0.95 C ATOM 455 OD1 ASP A 29 -0.661 1.730 -11.823 1.00 1.38 O ATOM 456 OD2 ASP A 29 -0.953 2.431 -13.840 1.00 1.63 O ATOM 0 H ASP A 29 -2.584 0.302 -10.612 1.00 0.50 H new ATOM 0 HA ASP A 29 -2.854 3.265 -10.819 1.00 0.56 H new ATOM 0 HB2 ASP A 29 -3.265 1.013 -12.847 1.00 0.70 H new ATOM 0 HB3 ASP A 29 -3.381 2.724 -13.204 1.00 0.70 H new ATOM 461 N ASP A 30 -5.239 1.232 -10.231 1.00 0.43 N ATOM 462 CA ASP A 30 -6.709 1.135 -10.009 1.00 0.40 C ATOM 463 C ASP A 30 -6.977 0.719 -8.560 1.00 0.32 C ATOM 464 O ASP A 30 -6.062 0.537 -7.783 1.00 0.31 O ATOM 465 CB ASP A 30 -7.299 0.101 -10.963 1.00 0.45 C ATOM 466 CG ASP A 30 -8.341 0.771 -11.862 1.00 0.69 C ATOM 467 OD1 ASP A 30 -9.136 1.537 -11.343 1.00 1.28 O ATOM 468 OD2 ASP A 30 -8.325 0.506 -13.052 1.00 1.36 O ATOM 0 H ASP A 30 -4.688 0.475 -9.826 1.00 0.43 H new ATOM 0 HA ASP A 30 -7.174 2.103 -10.197 1.00 0.40 H new ATOM 0 HB2 ASP A 30 -6.509 -0.341 -11.571 1.00 0.45 H new ATOM 0 HB3 ASP A 30 -7.758 -0.710 -10.398 1.00 0.45 H new ATOM 473 N THR A 31 -8.221 0.576 -8.181 1.00 0.33 N ATOM 474 CA THR A 31 -8.520 0.189 -6.771 1.00 0.28 C ATOM 475 C THR A 31 -8.939 -1.276 -6.698 1.00 0.27 C ATOM 476 O THR A 31 -10.109 -1.598 -6.752 1.00 0.31 O ATOM 477 CB THR A 31 -9.652 1.065 -6.230 1.00 0.32 C ATOM 478 OG1 THR A 31 -9.258 2.429 -6.280 1.00 0.60 O ATOM 479 CG2 THR A 31 -9.961 0.675 -4.784 1.00 0.29 C ATOM 0 H THR A 31 -9.035 0.709 -8.781 1.00 0.33 H new ATOM 0 HA THR A 31 -7.621 0.331 -6.171 1.00 0.28 H new ATOM 0 HB THR A 31 -10.544 0.920 -6.839 1.00 0.32 H new ATOM 0 HG1 THR A 31 -8.508 2.530 -6.903 1.00 0.60 H new ATOM 0 HG21 THR A 31 -10.768 1.301 -4.403 1.00 0.29 H new ATOM 0 HG22 THR A 31 -10.265 -0.371 -4.746 1.00 0.29 H new ATOM 0 HG23 THR A 31 -9.071 0.817 -4.171 1.00 0.29 H new ATOM 487 N VAL A 32 -7.999 -2.167 -6.546 1.00 0.29 N ATOM 488 CA VAL A 32 -8.365 -3.603 -6.441 1.00 0.33 C ATOM 489 C VAL A 32 -9.068 -3.803 -5.094 1.00 0.40 C ATOM 490 O VAL A 32 -9.074 -2.920 -4.261 1.00 0.77 O ATOM 491 CB VAL A 32 -7.092 -4.471 -6.567 1.00 0.38 C ATOM 492 CG1 VAL A 32 -6.828 -5.270 -5.289 1.00 0.47 C ATOM 493 CG2 VAL A 32 -7.270 -5.446 -7.733 1.00 0.50 C ATOM 0 H VAL A 32 -7.001 -1.963 -6.490 1.00 0.29 H new ATOM 0 HA VAL A 32 -9.039 -3.906 -7.242 1.00 0.33 H new ATOM 0 HB VAL A 32 -6.243 -3.809 -6.738 1.00 0.38 H new ATOM 0 HG11 VAL A 32 -5.926 -5.868 -5.414 1.00 0.47 H new ATOM 0 HG12 VAL A 32 -6.696 -4.584 -4.452 1.00 0.47 H new ATOM 0 HG13 VAL A 32 -7.674 -5.927 -5.089 1.00 0.47 H new ATOM 0 HG21 VAL A 32 -6.377 -6.063 -7.831 1.00 0.50 H new ATOM 0 HG22 VAL A 32 -8.134 -6.084 -7.545 1.00 0.50 H new ATOM 0 HG23 VAL A 32 -7.426 -4.886 -8.655 1.00 0.50 H new ATOM 503 N LEU A 33 -9.669 -4.936 -4.871 1.00 0.39 N ATOM 504 CA LEU A 33 -10.374 -5.148 -3.584 1.00 0.40 C ATOM 505 C LEU A 33 -10.717 -6.624 -3.409 1.00 0.47 C ATOM 506 O LEU A 33 -11.386 -7.215 -4.232 1.00 0.54 O ATOM 507 CB LEU A 33 -11.664 -4.326 -3.581 1.00 0.41 C ATOM 508 CG LEU A 33 -11.515 -3.169 -2.592 1.00 0.40 C ATOM 509 CD1 LEU A 33 -11.204 -1.873 -3.341 1.00 0.38 C ATOM 510 CD2 LEU A 33 -12.815 -2.997 -1.805 1.00 0.47 C ATOM 0 H LEU A 33 -9.701 -5.720 -5.523 1.00 0.39 H new ATOM 0 HA LEU A 33 -9.727 -4.835 -2.764 1.00 0.40 H new ATOM 0 HB2 LEU A 33 -11.868 -3.943 -4.581 1.00 0.41 H new ATOM 0 HB3 LEU A 33 -12.510 -4.954 -3.301 1.00 0.41 H new ATOM 0 HG LEU A 33 -10.697 -3.393 -1.908 1.00 0.40 H new ATOM 0 HD11 LEU A 33 -11.100 -1.056 -2.627 1.00 0.38 H new ATOM 0 HD12 LEU A 33 -10.274 -1.989 -3.898 1.00 0.38 H new ATOM 0 HD13 LEU A 33 -12.016 -1.649 -4.033 1.00 0.38 H new ATOM 0 HD21 LEU A 33 -12.707 -2.172 -1.101 1.00 0.47 H new ATOM 0 HD22 LEU A 33 -13.632 -2.782 -2.494 1.00 0.47 H new ATOM 0 HD23 LEU A 33 -13.034 -3.915 -1.259 1.00 0.47 H new ATOM 522 N GLU A 34 -10.271 -7.223 -2.337 1.00 0.51 N ATOM 523 CA GLU A 34 -10.585 -8.660 -2.111 1.00 0.62 C ATOM 524 C GLU A 34 -12.062 -8.896 -2.430 1.00 0.68 C ATOM 525 O GLU A 34 -12.868 -7.988 -2.378 1.00 0.71 O ATOM 526 CB GLU A 34 -10.311 -9.022 -0.650 1.00 0.74 C ATOM 527 CG GLU A 34 -11.372 -8.380 0.246 1.00 1.42 C ATOM 528 CD GLU A 34 -11.191 -8.870 1.684 1.00 1.71 C ATOM 529 OE1 GLU A 34 -11.600 -9.984 1.966 1.00 2.25 O ATOM 530 OE2 GLU A 34 -10.646 -8.122 2.479 1.00 2.19 O ATOM 0 H GLU A 34 -9.706 -6.780 -1.612 1.00 0.51 H new ATOM 0 HA GLU A 34 -9.962 -9.282 -2.754 1.00 0.62 H new ATOM 0 HB2 GLU A 34 -10.322 -10.105 -0.525 1.00 0.74 H new ATOM 0 HB3 GLU A 34 -9.318 -8.678 -0.360 1.00 0.74 H new ATOM 0 HG2 GLU A 34 -11.287 -7.294 0.207 1.00 1.42 H new ATOM 0 HG3 GLU A 34 -12.369 -8.635 -0.113 1.00 1.42 H new ATOM 537 N GLU A 35 -12.425 -10.101 -2.765 1.00 0.73 N ATOM 538 CA GLU A 35 -13.850 -10.380 -3.092 1.00 0.81 C ATOM 539 C GLU A 35 -14.755 -9.703 -2.062 1.00 0.85 C ATOM 540 O GLU A 35 -14.455 -9.665 -0.885 1.00 0.91 O ATOM 541 CB GLU A 35 -14.086 -11.884 -3.079 1.00 0.94 C ATOM 542 CG GLU A 35 -14.805 -12.301 -4.363 1.00 1.04 C ATOM 543 CD GLU A 35 -15.501 -13.645 -4.146 1.00 1.47 C ATOM 544 OE1 GLU A 35 -14.810 -14.609 -3.858 1.00 2.03 O ATOM 545 OE2 GLU A 35 -16.714 -13.689 -4.270 1.00 2.02 O ATOM 0 H GLU A 35 -11.798 -10.904 -2.827 1.00 0.73 H new ATOM 0 HA GLU A 35 -14.081 -9.987 -4.082 1.00 0.81 H new ATOM 0 HB2 GLU A 35 -13.135 -12.411 -2.995 1.00 0.94 H new ATOM 0 HB3 GLU A 35 -14.682 -12.161 -2.210 1.00 0.94 H new ATOM 0 HG2 GLU A 35 -15.535 -11.543 -4.646 1.00 1.04 H new ATOM 0 HG3 GLU A 35 -14.091 -12.378 -5.183 1.00 1.04 H new ATOM 552 N MET A 36 -15.858 -9.164 -2.499 1.00 0.89 N ATOM 553 CA MET A 36 -16.784 -8.481 -1.551 1.00 0.95 C ATOM 554 C MET A 36 -18.224 -8.614 -2.048 1.00 1.04 C ATOM 555 O MET A 36 -18.541 -9.479 -2.841 1.00 1.12 O ATOM 556 CB MET A 36 -16.410 -7.000 -1.450 1.00 0.86 C ATOM 557 CG MET A 36 -16.809 -6.278 -2.739 1.00 0.81 C ATOM 558 SD MET A 36 -17.982 -4.955 -2.351 1.00 1.46 S ATOM 559 CE MET A 36 -16.869 -3.951 -1.338 1.00 0.73 C ATOM 0 H MET A 36 -16.160 -9.166 -3.473 1.00 0.89 H new ATOM 0 HA MET A 36 -16.700 -8.945 -0.568 1.00 0.95 H new ATOM 0 HB2 MET A 36 -16.913 -6.545 -0.597 1.00 0.86 H new ATOM 0 HB3 MET A 36 -15.338 -6.896 -1.281 1.00 0.86 H new ATOM 0 HG2 MET A 36 -15.925 -5.864 -3.225 1.00 0.81 H new ATOM 0 HG3 MET A 36 -17.258 -6.983 -3.439 1.00 0.81 H new ATOM 0 HE1 MET A 36 -17.421 -3.112 -0.913 1.00 0.73 H new ATOM 0 HE2 MET A 36 -16.460 -4.561 -0.533 1.00 0.73 H new ATOM 0 HE3 MET A 36 -16.055 -3.574 -1.957 1.00 0.73 H new ATOM 569 N SER A 37 -19.099 -7.768 -1.581 1.00 1.13 N ATOM 570 CA SER A 37 -20.523 -7.848 -2.018 1.00 1.24 C ATOM 571 C SER A 37 -20.809 -6.782 -3.080 1.00 1.17 C ATOM 572 O SER A 37 -21.187 -5.670 -2.772 1.00 1.19 O ATOM 573 CB SER A 37 -21.437 -7.621 -0.814 1.00 1.41 C ATOM 574 OG SER A 37 -22.767 -7.986 -1.157 1.00 1.57 O ATOM 0 H SER A 37 -18.891 -7.024 -0.915 1.00 1.13 H new ATOM 0 HA SER A 37 -20.710 -8.834 -2.443 1.00 1.24 H new ATOM 0 HB2 SER A 37 -21.093 -8.212 0.035 1.00 1.41 H new ATOM 0 HB3 SER A 37 -21.402 -6.575 -0.509 1.00 1.41 H new ATOM 0 HG SER A 37 -23.355 -7.843 -0.386 1.00 1.57 H new ATOM 580 N LEU A 38 -20.640 -7.119 -4.330 1.00 1.18 N ATOM 581 CA LEU A 38 -20.912 -6.135 -5.417 1.00 1.17 C ATOM 582 C LEU A 38 -21.894 -6.764 -6.412 1.00 1.34 C ATOM 583 O LEU A 38 -21.821 -7.947 -6.681 1.00 1.64 O ATOM 584 CB LEU A 38 -19.596 -5.794 -6.129 1.00 1.17 C ATOM 585 CG LEU A 38 -19.452 -4.275 -6.293 1.00 1.10 C ATOM 586 CD1 LEU A 38 -19.761 -3.570 -4.971 1.00 1.67 C ATOM 587 CD2 LEU A 38 -18.018 -3.946 -6.710 1.00 1.42 C ATOM 0 H LEU A 38 -20.324 -8.036 -4.646 1.00 1.18 H new ATOM 0 HA LEU A 38 -21.342 -5.223 -5.004 1.00 1.17 H new ATOM 0 HB2 LEU A 38 -18.754 -6.185 -5.558 1.00 1.17 H new ATOM 0 HB3 LEU A 38 -19.569 -6.276 -7.107 1.00 1.17 H new ATOM 0 HG LEU A 38 -20.152 -3.933 -7.055 1.00 1.10 H new ATOM 0 HD11 LEU A 38 -19.656 -2.493 -5.100 1.00 1.67 H new ATOM 0 HD12 LEU A 38 -20.782 -3.801 -4.665 1.00 1.67 H new ATOM 0 HD13 LEU A 38 -19.066 -3.913 -4.204 1.00 1.67 H new ATOM 0 HD21 LEU A 38 -17.912 -2.868 -6.828 1.00 1.42 H new ATOM 0 HD22 LEU A 38 -17.327 -4.297 -5.944 1.00 1.42 H new ATOM 0 HD23 LEU A 38 -17.792 -4.438 -7.656 1.00 1.42 H new ATOM 599 N PRO A 39 -22.788 -5.959 -6.927 1.00 1.46 N ATOM 600 CA PRO A 39 -23.803 -6.419 -7.893 1.00 1.63 C ATOM 601 C PRO A 39 -23.169 -6.637 -9.270 1.00 1.85 C ATOM 602 O PRO A 39 -22.109 -6.130 -9.555 1.00 2.44 O ATOM 603 CB PRO A 39 -24.821 -5.275 -7.920 1.00 2.00 C ATOM 604 CG PRO A 39 -24.075 -4.017 -7.418 1.00 2.23 C ATOM 605 CD PRO A 39 -22.869 -4.519 -6.603 1.00 1.79 C ATOM 0 HA PRO A 39 -24.258 -7.372 -7.621 1.00 1.63 H new ATOM 0 HB2 PRO A 39 -25.207 -5.122 -8.928 1.00 2.00 H new ATOM 0 HB3 PRO A 39 -25.676 -5.500 -7.282 1.00 2.00 H new ATOM 0 HG2 PRO A 39 -23.748 -3.400 -8.255 1.00 2.23 H new ATOM 0 HG3 PRO A 39 -24.728 -3.398 -6.803 1.00 2.23 H new ATOM 0 HD2 PRO A 39 -21.954 -3.996 -6.882 1.00 1.79 H new ATOM 0 HD3 PRO A 39 -23.015 -4.359 -5.535 1.00 1.79 H new ATOM 613 N GLY A 40 -23.808 -7.398 -10.115 1.00 1.92 N ATOM 614 CA GLY A 40 -23.244 -7.664 -11.469 1.00 2.40 C ATOM 615 C GLY A 40 -23.027 -6.352 -12.220 1.00 2.00 C ATOM 616 O GLY A 40 -22.897 -5.297 -11.631 1.00 2.43 O ATOM 0 H GLY A 40 -24.702 -7.850 -9.925 1.00 1.92 H new ATOM 0 HA2 GLY A 40 -22.299 -8.199 -11.378 1.00 2.40 H new ATOM 0 HA3 GLY A 40 -23.921 -8.306 -12.033 1.00 2.40 H new ATOM 620 N ARG A 41 -22.969 -6.424 -13.523 1.00 1.88 N ATOM 621 CA ARG A 41 -22.745 -5.200 -14.344 1.00 1.68 C ATOM 622 C ARG A 41 -21.271 -4.813 -14.284 1.00 1.48 C ATOM 623 O ARG A 41 -20.919 -3.670 -14.066 1.00 1.45 O ATOM 624 CB ARG A 41 -23.602 -4.057 -13.813 1.00 1.93 C ATOM 625 CG ARG A 41 -24.556 -3.580 -14.910 1.00 2.19 C ATOM 626 CD ARG A 41 -24.235 -2.128 -15.270 1.00 2.83 C ATOM 627 NE ARG A 41 -25.501 -1.395 -15.553 1.00 3.34 N ATOM 628 CZ ARG A 41 -25.836 -0.365 -14.825 1.00 4.15 C ATOM 629 NH1 ARG A 41 -26.127 -0.526 -13.563 1.00 4.67 N ATOM 630 NH2 ARG A 41 -25.880 0.824 -15.358 1.00 4.86 N ATOM 0 H ARG A 41 -23.068 -7.287 -14.058 1.00 1.88 H new ATOM 0 HA ARG A 41 -23.025 -5.401 -15.378 1.00 1.68 H new ATOM 0 HB2 ARG A 41 -24.169 -4.388 -12.942 1.00 1.93 H new ATOM 0 HB3 ARG A 41 -22.967 -3.234 -13.486 1.00 1.93 H new ATOM 0 HG2 ARG A 41 -24.460 -4.214 -15.791 1.00 2.19 H new ATOM 0 HG3 ARG A 41 -25.588 -3.662 -14.570 1.00 2.19 H new ATOM 0 HD2 ARG A 41 -23.700 -1.649 -14.450 1.00 2.83 H new ATOM 0 HD3 ARG A 41 -23.580 -2.094 -16.141 1.00 2.83 H new ATOM 0 HE ARG A 41 -26.106 -1.698 -16.316 1.00 3.34 H new ATOM 0 HH11 ARG A 41 -26.092 -1.456 -13.146 1.00 4.67 H new ATOM 0 HH12 ARG A 41 -26.389 0.279 -12.993 1.00 4.67 H new ATOM 0 HH21 ARG A 41 -25.653 0.949 -16.344 1.00 4.86 H new ATOM 0 HH22 ARG A 41 -26.142 1.629 -14.789 1.00 4.86 H new ATOM 644 N TRP A 42 -20.410 -5.767 -14.472 1.00 1.42 N ATOM 645 CA TRP A 42 -18.947 -5.484 -14.426 1.00 1.26 C ATOM 646 C TRP A 42 -18.236 -6.238 -15.549 1.00 1.32 C ATOM 647 O TRP A 42 -18.861 -6.813 -16.418 1.00 1.47 O ATOM 648 CB TRP A 42 -18.391 -5.957 -13.087 1.00 1.15 C ATOM 649 CG TRP A 42 -18.906 -7.333 -12.796 1.00 1.26 C ATOM 650 CD1 TRP A 42 -20.096 -7.618 -12.212 1.00 1.43 C ATOM 651 CD2 TRP A 42 -18.269 -8.615 -13.070 1.00 1.28 C ATOM 652 NE1 TRP A 42 -20.224 -8.992 -12.109 1.00 1.54 N ATOM 653 CE2 TRP A 42 -19.125 -9.649 -12.624 1.00 1.46 C ATOM 654 CE3 TRP A 42 -17.043 -8.977 -13.656 1.00 1.20 C ATOM 655 CZ2 TRP A 42 -18.777 -10.994 -12.754 1.00 1.55 C ATOM 656 CZ3 TRP A 42 -16.689 -10.330 -13.789 1.00 1.31 C ATOM 657 CH2 TRP A 42 -17.555 -11.336 -13.338 1.00 1.48 C ATOM 0 H TRP A 42 -20.655 -6.740 -14.657 1.00 1.42 H new ATOM 0 HA TRP A 42 -18.784 -4.413 -14.547 1.00 1.26 H new ATOM 0 HB2 TRP A 42 -17.301 -5.962 -13.114 1.00 1.15 H new ATOM 0 HB3 TRP A 42 -18.687 -5.270 -12.294 1.00 1.15 H new ATOM 0 HD1 TRP A 42 -20.824 -6.892 -11.882 1.00 1.43 H new ATOM 0 HE1 TRP A 42 -21.032 -9.462 -11.702 1.00 1.54 H new ATOM 0 HE3 TRP A 42 -16.369 -8.209 -14.006 1.00 1.20 H new ATOM 0 HZ2 TRP A 42 -19.448 -11.765 -12.405 1.00 1.55 H new ATOM 0 HZ3 TRP A 42 -15.745 -10.596 -14.241 1.00 1.31 H new ATOM 0 HH2 TRP A 42 -17.278 -12.375 -13.442 1.00 1.48 H new ATOM 668 N LYS A 43 -16.930 -6.250 -15.531 1.00 1.24 N ATOM 669 CA LYS A 43 -16.178 -6.979 -16.590 1.00 1.34 C ATOM 670 C LYS A 43 -15.089 -7.820 -15.923 1.00 1.23 C ATOM 671 O LYS A 43 -14.449 -7.367 -15.000 1.00 1.11 O ATOM 672 CB LYS A 43 -15.535 -5.973 -17.548 1.00 1.43 C ATOM 673 CG LYS A 43 -16.286 -5.985 -18.881 1.00 1.76 C ATOM 674 CD LYS A 43 -15.904 -4.745 -19.692 1.00 2.19 C ATOM 675 CE LYS A 43 -16.897 -4.559 -20.841 1.00 2.69 C ATOM 676 NZ LYS A 43 -16.567 -3.312 -21.586 1.00 3.29 N ATOM 0 H LYS A 43 -16.353 -5.787 -14.829 1.00 1.24 H new ATOM 0 HA LYS A 43 -16.855 -7.622 -17.152 1.00 1.34 H new ATOM 0 HB2 LYS A 43 -15.560 -4.974 -17.113 1.00 1.43 H new ATOM 0 HB3 LYS A 43 -14.487 -6.225 -17.707 1.00 1.43 H new ATOM 0 HG2 LYS A 43 -16.042 -6.888 -19.440 1.00 1.76 H new ATOM 0 HG3 LYS A 43 -17.362 -6.000 -18.705 1.00 1.76 H new ATOM 0 HD2 LYS A 43 -15.905 -3.864 -19.051 1.00 2.19 H new ATOM 0 HD3 LYS A 43 -14.893 -4.852 -20.085 1.00 2.19 H new ATOM 0 HE2 LYS A 43 -16.858 -5.417 -21.512 1.00 2.69 H new ATOM 0 HE3 LYS A 43 -17.914 -4.505 -20.452 1.00 2.69 H new ATOM 0 HZ1 LYS A 43 -17.242 -3.185 -22.367 1.00 3.29 H new ATOM 0 HZ2 LYS A 43 -16.626 -2.497 -20.942 1.00 3.29 H new ATOM 0 HZ3 LYS A 43 -15.603 -3.382 -21.969 1.00 3.29 H new ATOM 690 N PRO A 44 -14.911 -9.022 -16.399 1.00 1.34 N ATOM 691 CA PRO A 44 -13.902 -9.939 -15.847 1.00 1.29 C ATOM 692 C PRO A 44 -12.510 -9.561 -16.351 1.00 1.26 C ATOM 693 O PRO A 44 -12.325 -9.236 -17.507 1.00 1.45 O ATOM 694 CB PRO A 44 -14.321 -11.305 -16.386 1.00 1.54 C ATOM 695 CG PRO A 44 -15.179 -11.031 -17.645 1.00 1.73 C ATOM 696 CD PRO A 44 -15.687 -9.580 -17.524 1.00 1.58 C ATOM 0 HA PRO A 44 -13.851 -9.915 -14.758 1.00 1.29 H new ATOM 0 HB2 PRO A 44 -13.448 -11.909 -16.634 1.00 1.54 H new ATOM 0 HB3 PRO A 44 -14.891 -11.859 -15.640 1.00 1.54 H new ATOM 0 HG2 PRO A 44 -14.589 -11.161 -18.552 1.00 1.73 H new ATOM 0 HG3 PRO A 44 -16.013 -11.730 -17.705 1.00 1.73 H new ATOM 0 HD2 PRO A 44 -15.516 -9.020 -18.443 1.00 1.58 H new ATOM 0 HD3 PRO A 44 -16.758 -9.548 -17.325 1.00 1.58 H new ATOM 704 N LYS A 45 -11.529 -9.602 -15.495 1.00 1.10 N ATOM 705 CA LYS A 45 -10.151 -9.245 -15.933 1.00 1.16 C ATOM 706 C LYS A 45 -9.131 -9.899 -15.002 1.00 1.03 C ATOM 707 O LYS A 45 -9.475 -10.677 -14.136 1.00 1.12 O ATOM 708 CB LYS A 45 -9.980 -7.724 -15.894 1.00 1.19 C ATOM 709 CG LYS A 45 -9.937 -7.247 -14.440 1.00 1.22 C ATOM 710 CD LYS A 45 -8.643 -6.468 -14.197 1.00 1.27 C ATOM 711 CE LYS A 45 -8.731 -5.103 -14.881 1.00 1.79 C ATOM 712 NZ LYS A 45 -7.478 -4.336 -14.624 1.00 2.44 N ATOM 0 H LYS A 45 -11.620 -9.866 -14.514 1.00 1.10 H new ATOM 0 HA LYS A 45 -9.991 -9.602 -16.950 1.00 1.16 H new ATOM 0 HB2 LYS A 45 -9.062 -7.438 -16.408 1.00 1.19 H new ATOM 0 HB3 LYS A 45 -10.804 -7.242 -16.421 1.00 1.19 H new ATOM 0 HG2 LYS A 45 -10.800 -6.615 -14.228 1.00 1.22 H new ATOM 0 HG3 LYS A 45 -9.993 -8.100 -13.764 1.00 1.22 H new ATOM 0 HD2 LYS A 45 -8.479 -6.340 -13.127 1.00 1.27 H new ATOM 0 HD3 LYS A 45 -7.792 -7.027 -14.586 1.00 1.27 H new ATOM 0 HE2 LYS A 45 -8.878 -5.231 -15.953 1.00 1.79 H new ATOM 0 HE3 LYS A 45 -9.592 -4.551 -14.504 1.00 1.79 H new ATOM 0 HZ1 LYS A 45 -7.701 -3.323 -14.546 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 -7.045 -4.665 -13.737 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 -6.813 -4.485 -15.409 1.00 2.44 H new ATOM 726 N MET A 46 -7.876 -9.591 -15.177 1.00 1.03 N ATOM 727 CA MET A 46 -6.830 -10.191 -14.303 1.00 0.95 C ATOM 728 C MET A 46 -5.660 -9.216 -14.177 1.00 0.85 C ATOM 729 O MET A 46 -5.171 -8.693 -15.159 1.00 0.93 O ATOM 730 CB MET A 46 -6.339 -11.503 -14.920 1.00 1.15 C ATOM 731 CG MET A 46 -7.018 -12.682 -14.221 1.00 1.30 C ATOM 732 SD MET A 46 -6.568 -14.221 -15.061 1.00 1.43 S ATOM 733 CE MET A 46 -5.236 -14.710 -13.938 1.00 1.16 C ATOM 0 H MET A 46 -7.529 -8.948 -15.889 1.00 1.03 H new ATOM 0 HA MET A 46 -7.248 -10.391 -13.316 1.00 0.95 H new ATOM 0 HB2 MET A 46 -6.562 -11.521 -15.987 1.00 1.15 H new ATOM 0 HB3 MET A 46 -5.256 -11.582 -14.820 1.00 1.15 H new ATOM 0 HG2 MET A 46 -6.713 -12.723 -13.175 1.00 1.30 H new ATOM 0 HG3 MET A 46 -8.100 -12.552 -14.233 1.00 1.30 H new ATOM 0 HE1 MET A 46 -4.447 -15.206 -14.503 1.00 1.16 H new ATOM 0 HE2 MET A 46 -4.830 -13.825 -13.448 1.00 1.16 H new ATOM 0 HE3 MET A 46 -5.628 -15.394 -13.185 1.00 1.16 H new ATOM 743 N ILE A 47 -5.201 -8.966 -12.982 1.00 0.73 N ATOM 744 CA ILE A 47 -4.059 -8.025 -12.814 1.00 0.68 C ATOM 745 C ILE A 47 -2.770 -8.827 -12.644 1.00 0.63 C ATOM 746 O ILE A 47 -2.764 -9.891 -12.062 1.00 0.61 O ATOM 747 CB ILE A 47 -4.282 -7.147 -11.579 1.00 0.64 C ATOM 748 CG1 ILE A 47 -4.498 -8.034 -10.350 1.00 0.62 C ATOM 749 CG2 ILE A 47 -5.513 -6.266 -11.792 1.00 0.77 C ATOM 750 CD1 ILE A 47 -4.074 -7.275 -9.089 1.00 0.60 C ATOM 0 H ILE A 47 -5.565 -9.370 -12.119 1.00 0.73 H new ATOM 0 HA ILE A 47 -3.984 -7.387 -13.694 1.00 0.68 H new ATOM 0 HB ILE A 47 -3.406 -6.517 -11.423 1.00 0.64 H new ATOM 0 HG12 ILE A 47 -5.546 -8.323 -10.277 1.00 0.62 H new ATOM 0 HG13 ILE A 47 -3.919 -8.953 -10.446 1.00 0.62 H new ATOM 0 HG21 ILE A 47 -5.670 -5.642 -10.912 1.00 0.77 H new ATOM 0 HG22 ILE A 47 -5.359 -5.631 -12.665 1.00 0.77 H new ATOM 0 HG23 ILE A 47 -6.388 -6.896 -11.951 1.00 0.77 H new ATOM 0 HD11 ILE A 47 -4.228 -7.907 -8.215 1.00 0.60 H new ATOM 0 HD12 ILE A 47 -3.020 -7.008 -9.162 1.00 0.60 H new ATOM 0 HD13 ILE A 47 -4.672 -6.369 -8.991 1.00 0.60 H new ATOM 762 N GLY A 48 -1.679 -8.324 -13.145 1.00 0.65 N ATOM 763 CA GLY A 48 -0.389 -9.055 -13.007 1.00 0.63 C ATOM 764 C GLY A 48 0.585 -8.184 -12.223 1.00 0.59 C ATOM 765 O GLY A 48 1.123 -7.223 -12.736 1.00 0.71 O ATOM 0 H GLY A 48 -1.624 -7.437 -13.645 1.00 0.65 H new ATOM 0 HA2 GLY A 48 -0.545 -10.004 -12.493 1.00 0.63 H new ATOM 0 HA3 GLY A 48 0.020 -9.289 -13.990 1.00 0.63 H new ATOM 769 N GLY A 49 0.805 -8.495 -10.976 1.00 0.50 N ATOM 770 CA GLY A 49 1.730 -7.660 -10.167 1.00 0.49 C ATOM 771 C GLY A 49 2.813 -8.522 -9.517 1.00 0.48 C ATOM 772 O GLY A 49 3.537 -9.242 -10.175 1.00 0.52 O ATOM 0 H GLY A 49 0.387 -9.286 -10.486 1.00 0.50 H new ATOM 0 HA2 GLY A 49 2.193 -6.904 -10.801 1.00 0.49 H new ATOM 0 HA3 GLY A 49 1.169 -7.131 -9.397 1.00 0.49 H new ATOM 776 N ILE A 50 2.947 -8.410 -8.228 1.00 0.46 N ATOM 777 CA ILE A 50 4.003 -9.168 -7.497 1.00 0.47 C ATOM 778 C ILE A 50 3.564 -10.595 -7.161 1.00 0.49 C ATOM 779 O ILE A 50 2.610 -10.811 -6.443 1.00 0.57 O ATOM 780 CB ILE A 50 4.292 -8.416 -6.209 1.00 0.47 C ATOM 781 CG1 ILE A 50 4.598 -6.966 -6.568 1.00 0.51 C ATOM 782 CG2 ILE A 50 5.491 -9.044 -5.501 1.00 0.51 C ATOM 783 CD1 ILE A 50 5.012 -6.200 -5.318 1.00 0.49 C ATOM 0 H ILE A 50 2.362 -7.817 -7.639 1.00 0.46 H new ATOM 0 HA ILE A 50 4.886 -9.246 -8.131 1.00 0.47 H new ATOM 0 HB ILE A 50 3.433 -8.464 -5.540 1.00 0.47 H new ATOM 0 HG12 ILE A 50 5.395 -6.926 -7.310 1.00 0.51 H new ATOM 0 HG13 ILE A 50 3.721 -6.500 -7.017 1.00 0.51 H new ATOM 0 HG21 ILE A 50 5.694 -8.501 -4.578 1.00 0.51 H new ATOM 0 HG22 ILE A 50 5.271 -10.086 -5.268 1.00 0.51 H new ATOM 0 HG23 ILE A 50 6.365 -8.994 -6.151 1.00 0.51 H new ATOM 0 HD11 ILE A 50 5.229 -5.165 -5.581 1.00 0.49 H new ATOM 0 HD12 ILE A 50 4.202 -6.227 -4.590 1.00 0.49 H new ATOM 0 HD13 ILE A 50 5.902 -6.659 -4.888 1.00 0.49 H new ATOM 795 N GLY A 51 4.284 -11.571 -7.648 1.00 0.48 N ATOM 796 CA GLY A 51 3.939 -12.988 -7.337 1.00 0.53 C ATOM 797 C GLY A 51 3.290 -13.649 -8.552 1.00 0.52 C ATOM 798 O GLY A 51 3.728 -14.685 -9.014 1.00 0.65 O ATOM 0 H GLY A 51 5.098 -11.447 -8.249 1.00 0.48 H new ATOM 0 HA2 GLY A 51 4.838 -13.535 -7.052 1.00 0.53 H new ATOM 0 HA3 GLY A 51 3.259 -13.027 -6.486 1.00 0.53 H new ATOM 802 N GLY A 52 2.248 -13.067 -9.075 1.00 0.53 N ATOM 803 CA GLY A 52 1.576 -13.674 -10.258 1.00 0.55 C ATOM 804 C GLY A 52 0.405 -12.797 -10.692 1.00 0.53 C ATOM 805 O GLY A 52 0.325 -11.633 -10.352 1.00 0.51 O ATOM 0 H GLY A 52 1.833 -12.199 -8.736 1.00 0.53 H new ATOM 0 HA2 GLY A 52 2.287 -13.779 -11.078 1.00 0.55 H new ATOM 0 HA3 GLY A 52 1.221 -14.675 -10.013 1.00 0.55 H new ATOM 809 N PHE A 53 -0.505 -13.347 -11.446 1.00 0.59 N ATOM 810 CA PHE A 53 -1.673 -12.547 -11.908 1.00 0.61 C ATOM 811 C PHE A 53 -2.936 -13.017 -11.182 1.00 0.57 C ATOM 812 O PHE A 53 -3.282 -14.181 -11.213 1.00 0.60 O ATOM 813 CB PHE A 53 -1.857 -12.737 -13.416 1.00 0.74 C ATOM 814 CG PHE A 53 -0.582 -12.367 -14.136 1.00 0.84 C ATOM 815 CD1 PHE A 53 0.582 -13.118 -13.933 1.00 1.06 C ATOM 816 CD2 PHE A 53 -0.565 -11.272 -15.008 1.00 1.21 C ATOM 817 CE1 PHE A 53 1.762 -12.774 -14.603 1.00 1.23 C ATOM 818 CE2 PHE A 53 0.615 -10.929 -15.678 1.00 1.55 C ATOM 819 CZ PHE A 53 1.779 -11.680 -15.475 1.00 1.42 C ATOM 0 H PHE A 53 -0.490 -14.317 -11.763 1.00 0.59 H new ATOM 0 HA PHE A 53 -1.498 -11.493 -11.690 1.00 0.61 H new ATOM 0 HB2 PHE A 53 -2.121 -13.772 -13.632 1.00 0.74 H new ATOM 0 HB3 PHE A 53 -2.680 -12.118 -13.772 1.00 0.74 H new ATOM 0 HD1 PHE A 53 0.570 -13.962 -13.260 1.00 1.06 H new ATOM 0 HD2 PHE A 53 -1.463 -10.692 -15.164 1.00 1.21 H new ATOM 0 HE1 PHE A 53 2.660 -13.353 -14.447 1.00 1.23 H new ATOM 0 HE2 PHE A 53 0.628 -10.085 -16.352 1.00 1.55 H new ATOM 0 HZ PHE A 53 2.690 -11.415 -15.991 1.00 1.42 H new ATOM 829 N ILE A 54 -3.633 -12.122 -10.536 1.00 0.61 N ATOM 830 CA ILE A 54 -4.876 -12.526 -9.822 1.00 0.62 C ATOM 831 C ILE A 54 -6.087 -12.178 -10.694 1.00 0.68 C ATOM 832 O ILE A 54 -5.998 -11.373 -11.599 1.00 0.79 O ATOM 833 CB ILE A 54 -4.975 -11.780 -8.488 1.00 0.58 C ATOM 834 CG1 ILE A 54 -5.030 -10.274 -8.749 1.00 0.59 C ATOM 835 CG2 ILE A 54 -3.754 -12.101 -7.623 1.00 0.62 C ATOM 836 CD1 ILE A 54 -5.764 -9.582 -7.599 1.00 0.79 C ATOM 0 H ILE A 54 -3.396 -11.132 -10.472 1.00 0.61 H new ATOM 0 HA ILE A 54 -4.854 -13.599 -9.629 1.00 0.62 H new ATOM 0 HB ILE A 54 -5.879 -12.095 -7.967 1.00 0.58 H new ATOM 0 HG12 ILE A 54 -4.021 -9.874 -8.843 1.00 0.59 H new ATOM 0 HG13 ILE A 54 -5.541 -10.076 -9.691 1.00 0.59 H new ATOM 0 HG21 ILE A 54 -3.829 -11.568 -6.675 1.00 0.62 H new ATOM 0 HG22 ILE A 54 -3.714 -13.174 -7.434 1.00 0.62 H new ATOM 0 HG23 ILE A 54 -2.848 -11.790 -8.143 1.00 0.62 H new ATOM 0 HD11 ILE A 54 -5.803 -8.509 -7.786 1.00 0.79 H new ATOM 0 HD12 ILE A 54 -6.778 -9.975 -7.526 1.00 0.79 H new ATOM 0 HD13 ILE A 54 -5.235 -9.769 -6.665 1.00 0.79 H new ATOM 848 N LYS A 55 -7.216 -12.776 -10.432 1.00 0.73 N ATOM 849 CA LYS A 55 -8.426 -12.474 -11.251 1.00 0.79 C ATOM 850 C LYS A 55 -9.319 -11.489 -10.495 1.00 0.74 C ATOM 851 O LYS A 55 -9.594 -11.660 -9.327 1.00 0.74 O ATOM 852 CB LYS A 55 -9.201 -13.767 -11.513 1.00 0.92 C ATOM 853 CG LYS A 55 -8.512 -14.561 -12.624 1.00 1.12 C ATOM 854 CD LYS A 55 -8.797 -16.053 -12.438 1.00 1.67 C ATOM 855 CE LYS A 55 -8.429 -16.807 -13.717 1.00 2.09 C ATOM 856 NZ LYS A 55 -9.070 -18.152 -13.703 1.00 2.81 N ATOM 0 H LYS A 55 -7.354 -13.460 -9.688 1.00 0.73 H new ATOM 0 HA LYS A 55 -8.122 -12.035 -12.201 1.00 0.79 H new ATOM 0 HB2 LYS A 55 -9.251 -14.364 -10.602 1.00 0.92 H new ATOM 0 HB3 LYS A 55 -10.227 -13.536 -11.799 1.00 0.92 H new ATOM 0 HG2 LYS A 55 -8.871 -14.230 -13.598 1.00 1.12 H new ATOM 0 HG3 LYS A 55 -7.437 -14.380 -12.602 1.00 1.12 H new ATOM 0 HD2 LYS A 55 -8.223 -16.441 -11.597 1.00 1.67 H new ATOM 0 HD3 LYS A 55 -9.850 -16.206 -12.203 1.00 1.67 H new ATOM 0 HE2 LYS A 55 -8.758 -16.245 -14.591 1.00 2.09 H new ATOM 0 HE3 LYS A 55 -7.346 -16.909 -13.793 1.00 2.09 H new ATOM 0 HZ1 LYS A 55 -8.820 -18.665 -14.573 1.00 2.81 H new ATOM 0 HZ2 LYS A 55 -8.735 -18.688 -12.877 1.00 2.81 H new ATOM 0 HZ3 LYS A 55 -10.103 -18.044 -13.650 1.00 2.81 H new ATOM 870 N VAL A 56 -9.772 -10.455 -11.146 1.00 0.76 N ATOM 871 CA VAL A 56 -10.641 -9.467 -10.449 1.00 0.73 C ATOM 872 C VAL A 56 -11.785 -9.040 -11.368 1.00 0.83 C ATOM 873 O VAL A 56 -11.836 -9.395 -12.528 1.00 1.01 O ATOM 874 CB VAL A 56 -9.811 -8.240 -10.069 1.00 0.66 C ATOM 875 CG1 VAL A 56 -8.721 -8.648 -9.077 1.00 0.67 C ATOM 876 CG2 VAL A 56 -9.163 -7.656 -11.325 1.00 0.74 C ATOM 0 H VAL A 56 -9.579 -10.251 -12.127 1.00 0.76 H new ATOM 0 HA VAL A 56 -11.055 -9.925 -9.550 1.00 0.73 H new ATOM 0 HB VAL A 56 -10.458 -7.492 -9.610 1.00 0.66 H new ATOM 0 HG11 VAL A 56 -8.130 -7.773 -8.806 1.00 0.67 H new ATOM 0 HG12 VAL A 56 -9.182 -9.066 -8.182 1.00 0.67 H new ATOM 0 HG13 VAL A 56 -8.074 -9.396 -9.535 1.00 0.67 H new ATOM 0 HG21 VAL A 56 -8.571 -6.781 -11.056 1.00 0.74 H new ATOM 0 HG22 VAL A 56 -8.517 -8.405 -11.783 1.00 0.74 H new ATOM 0 HG23 VAL A 56 -9.939 -7.365 -12.033 1.00 0.74 H new ATOM 886 N ARG A 57 -12.701 -8.273 -10.849 1.00 0.77 N ATOM 887 CA ARG A 57 -13.849 -7.802 -11.668 1.00 0.88 C ATOM 888 C ARG A 57 -13.798 -6.279 -11.760 1.00 0.86 C ATOM 889 O ARG A 57 -14.030 -5.581 -10.793 1.00 1.19 O ATOM 890 CB ARG A 57 -15.158 -8.226 -10.999 1.00 0.94 C ATOM 891 CG ARG A 57 -14.997 -9.622 -10.396 1.00 1.06 C ATOM 892 CD ARG A 57 -16.351 -10.335 -10.388 1.00 1.42 C ATOM 893 NE ARG A 57 -16.137 -11.807 -10.470 1.00 1.76 N ATOM 894 CZ ARG A 57 -15.821 -12.482 -9.399 1.00 2.11 C ATOM 895 NH1 ARG A 57 -16.700 -12.644 -8.447 1.00 2.57 N ATOM 896 NH2 ARG A 57 -14.627 -12.994 -9.279 1.00 2.69 N ATOM 0 H ARG A 57 -12.703 -7.949 -9.882 1.00 0.77 H new ATOM 0 HA ARG A 57 -13.795 -8.236 -12.666 1.00 0.88 H new ATOM 0 HB2 ARG A 57 -15.429 -7.512 -10.221 1.00 0.94 H new ATOM 0 HB3 ARG A 57 -15.968 -8.225 -11.728 1.00 0.94 H new ATOM 0 HG2 ARG A 57 -14.274 -10.198 -10.974 1.00 1.06 H new ATOM 0 HG3 ARG A 57 -14.607 -9.548 -9.381 1.00 1.06 H new ATOM 0 HD2 ARG A 57 -16.900 -10.086 -9.480 1.00 1.42 H new ATOM 0 HD3 ARG A 57 -16.957 -9.997 -11.229 1.00 1.42 H new ATOM 0 HE ARG A 57 -16.238 -12.288 -11.364 1.00 1.76 H new ATOM 0 HH11 ARG A 57 -17.633 -12.243 -8.541 1.00 2.57 H new ATOM 0 HH12 ARG A 57 -16.453 -13.172 -7.610 1.00 2.57 H new ATOM 0 HH21 ARG A 57 -13.940 -12.867 -10.022 1.00 2.69 H new ATOM 0 HH22 ARG A 57 -14.380 -13.522 -8.442 1.00 2.69 H new ATOM 910 N GLN A 58 -13.488 -5.755 -12.910 1.00 0.86 N ATOM 911 CA GLN A 58 -13.415 -4.280 -13.056 1.00 0.84 C ATOM 912 C GLN A 58 -14.796 -3.674 -12.814 1.00 0.87 C ATOM 913 O GLN A 58 -15.619 -3.598 -13.708 1.00 1.02 O ATOM 914 CB GLN A 58 -12.941 -3.928 -14.467 1.00 0.95 C ATOM 915 CG GLN A 58 -12.546 -2.451 -14.520 1.00 1.04 C ATOM 916 CD GLN A 58 -11.907 -2.141 -15.875 1.00 1.42 C ATOM 917 OE1 GLN A 58 -10.863 -1.525 -15.940 1.00 2.06 O ATOM 918 NE2 GLN A 58 -12.495 -2.547 -16.968 1.00 1.94 N ATOM 0 H GLN A 58 -13.282 -6.286 -13.756 1.00 0.86 H new ATOM 0 HA GLN A 58 -12.711 -3.878 -12.327 1.00 0.84 H new ATOM 0 HB2 GLN A 58 -12.091 -4.553 -14.743 1.00 0.95 H new ATOM 0 HB3 GLN A 58 -13.733 -4.130 -15.189 1.00 0.95 H new ATOM 0 HG2 GLN A 58 -13.424 -1.823 -14.368 1.00 1.04 H new ATOM 0 HG3 GLN A 58 -11.847 -2.222 -13.716 1.00 1.04 H new ATOM 0 HE21 GLN A 58 -13.372 -3.065 -16.913 1.00 1.94 H new ATOM 0 HE22 GLN A 58 -12.077 -2.347 -17.877 1.00 1.94 H new ATOM 927 N TYR A 59 -15.053 -3.239 -11.610 1.00 0.78 N ATOM 928 CA TYR A 59 -16.372 -2.625 -11.304 1.00 0.83 C ATOM 929 C TYR A 59 -16.279 -1.117 -11.530 1.00 0.84 C ATOM 930 O TYR A 59 -15.882 -0.373 -10.656 1.00 0.93 O ATOM 931 CB TYR A 59 -16.732 -2.895 -9.845 1.00 0.82 C ATOM 932 CG TYR A 59 -17.559 -4.149 -9.757 1.00 0.85 C ATOM 933 CD1 TYR A 59 -18.849 -4.166 -10.290 1.00 0.97 C ATOM 934 CD2 TYR A 59 -17.036 -5.292 -9.145 1.00 0.83 C ATOM 935 CE1 TYR A 59 -19.622 -5.326 -10.211 1.00 1.07 C ATOM 936 CE2 TYR A 59 -17.810 -6.457 -9.064 1.00 0.93 C ATOM 937 CZ TYR A 59 -19.105 -6.473 -9.598 1.00 1.04 C ATOM 938 OH TYR A 59 -19.869 -7.620 -9.520 1.00 1.18 O ATOM 0 H TYR A 59 -14.403 -3.284 -10.825 1.00 0.78 H new ATOM 0 HA TYR A 59 -17.138 -3.052 -11.951 1.00 0.83 H new ATOM 0 HB2 TYR A 59 -15.825 -3.002 -9.249 1.00 0.82 H new ATOM 0 HB3 TYR A 59 -17.286 -2.051 -9.434 1.00 0.82 H new ATOM 0 HD1 TYR A 59 -19.249 -3.282 -10.764 1.00 0.97 H new ATOM 0 HD2 TYR A 59 -16.037 -5.277 -8.735 1.00 0.83 H new ATOM 0 HE1 TYR A 59 -20.620 -5.338 -10.623 1.00 1.07 H new ATOM 0 HE2 TYR A 59 -17.409 -7.341 -8.591 1.00 0.93 H new ATOM 0 HH TYR A 59 -19.890 -8.060 -10.396 1.00 1.18 H new ATOM 948 N ASP A 60 -16.631 -0.660 -12.698 1.00 0.86 N ATOM 949 CA ASP A 60 -16.547 0.799 -12.979 1.00 0.90 C ATOM 950 C ASP A 60 -17.756 1.517 -12.379 1.00 0.90 C ATOM 951 O ASP A 60 -18.887 1.117 -12.573 1.00 0.96 O ATOM 952 CB ASP A 60 -16.520 1.025 -14.492 1.00 1.03 C ATOM 953 CG ASP A 60 -15.173 0.565 -15.053 1.00 1.10 C ATOM 954 OD1 ASP A 60 -14.213 1.305 -14.915 1.00 1.77 O ATOM 955 OD2 ASP A 60 -15.125 -0.519 -15.610 1.00 1.42 O ATOM 0 H ASP A 60 -16.973 -1.233 -13.470 1.00 0.86 H new ATOM 0 HA ASP A 60 -15.636 1.197 -12.532 1.00 0.90 H new ATOM 0 HB2 ASP A 60 -17.331 0.474 -14.967 1.00 1.03 H new ATOM 0 HB3 ASP A 60 -16.678 2.080 -14.716 1.00 1.03 H new ATOM 960 N GLN A 61 -17.514 2.580 -11.656 1.00 0.86 N ATOM 961 CA GLN A 61 -18.628 3.357 -11.035 1.00 0.88 C ATOM 962 C GLN A 61 -19.031 2.726 -9.701 1.00 0.82 C ATOM 963 O GLN A 61 -20.162 2.326 -9.508 1.00 0.87 O ATOM 964 CB GLN A 61 -19.835 3.385 -11.976 1.00 1.00 C ATOM 965 CG GLN A 61 -19.356 3.583 -13.416 1.00 1.38 C ATOM 966 CD GLN A 61 -20.058 4.798 -14.026 1.00 1.51 C ATOM 967 OE1 GLN A 61 -21.264 4.805 -14.177 1.00 2.19 O ATOM 968 NE2 GLN A 61 -19.350 5.833 -14.386 1.00 1.92 N ATOM 0 H GLN A 61 -16.581 2.947 -11.467 1.00 0.86 H new ATOM 0 HA GLN A 61 -18.287 4.377 -10.858 1.00 0.88 H new ATOM 0 HB2 GLN A 61 -20.396 2.454 -11.893 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -20.512 4.191 -11.693 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -18.276 3.727 -13.434 1.00 1.38 H new ATOM 0 HG3 GLN A 61 -19.569 2.692 -14.007 1.00 1.38 H new ATOM 0 HE21 GLN A 61 -18.338 5.828 -14.259 1.00 1.92 H new ATOM 0 HE22 GLN A 61 -19.809 6.648 -14.794 1.00 1.92 H new ATOM 977 N ILE A 62 -18.117 2.652 -8.773 1.00 0.73 N ATOM 978 CA ILE A 62 -18.446 2.069 -7.442 1.00 0.69 C ATOM 979 C ILE A 62 -18.282 3.155 -6.385 1.00 0.65 C ATOM 980 O ILE A 62 -17.197 3.649 -6.158 1.00 0.62 O ATOM 981 CB ILE A 62 -17.493 0.921 -7.128 1.00 0.65 C ATOM 982 CG1 ILE A 62 -17.727 -0.220 -8.123 1.00 0.79 C ATOM 983 CG2 ILE A 62 -17.741 0.431 -5.699 1.00 0.67 C ATOM 984 CD1 ILE A 62 -18.952 -1.042 -7.708 1.00 1.38 C ATOM 0 H ILE A 62 -17.154 2.971 -8.880 1.00 0.73 H new ATOM 0 HA ILE A 62 -19.469 1.693 -7.448 1.00 0.69 H new ATOM 0 HB ILE A 62 -16.462 1.263 -7.214 1.00 0.65 H new ATOM 0 HG12 ILE A 62 -17.874 0.185 -9.124 1.00 0.79 H new ATOM 0 HG13 ILE A 62 -16.847 -0.862 -8.165 1.00 0.79 H new ATOM 0 HG21 ILE A 62 -17.061 -0.390 -5.473 1.00 0.67 H new ATOM 0 HG22 ILE A 62 -17.569 1.249 -4.999 1.00 0.67 H new ATOM 0 HG23 ILE A 62 -18.770 0.085 -5.607 1.00 0.67 H new ATOM 0 HD11 ILE A 62 -19.108 -1.850 -8.423 1.00 1.38 H new ATOM 0 HD12 ILE A 62 -18.789 -1.462 -6.716 1.00 1.38 H new ATOM 0 HD13 ILE A 62 -19.832 -0.399 -7.690 1.00 1.38 H new ATOM 996 N LEU A 63 -19.348 3.547 -5.750 1.00 0.69 N ATOM 997 CA LEU A 63 -19.244 4.619 -4.725 1.00 0.69 C ATOM 998 C LEU A 63 -18.420 4.136 -3.529 1.00 0.63 C ATOM 999 O LEU A 63 -18.952 3.668 -2.542 1.00 0.71 O ATOM 1000 CB LEU A 63 -20.647 5.020 -4.259 1.00 0.77 C ATOM 1001 CG LEU A 63 -20.577 6.210 -3.287 1.00 0.82 C ATOM 1002 CD1 LEU A 63 -20.342 5.700 -1.865 1.00 1.47 C ATOM 1003 CD2 LEU A 63 -19.435 7.156 -3.680 1.00 1.19 C ATOM 0 H LEU A 63 -20.285 3.172 -5.896 1.00 0.69 H new ATOM 0 HA LEU A 63 -18.746 5.482 -5.166 1.00 0.69 H new ATOM 0 HB2 LEU A 63 -21.260 5.283 -5.121 1.00 0.77 H new ATOM 0 HB3 LEU A 63 -21.130 4.173 -3.771 1.00 0.77 H new ATOM 0 HG LEU A 63 -21.521 6.753 -3.333 1.00 0.82 H new ATOM 0 HD11 LEU A 63 -20.293 6.545 -1.179 1.00 1.47 H new ATOM 0 HD12 LEU A 63 -21.162 5.043 -1.574 1.00 1.47 H new ATOM 0 HD13 LEU A 63 -19.403 5.147 -1.827 1.00 1.47 H new ATOM 0 HD21 LEU A 63 -19.399 7.993 -2.982 1.00 1.19 H new ATOM 0 HD22 LEU A 63 -18.488 6.616 -3.648 1.00 1.19 H new ATOM 0 HD23 LEU A 63 -19.605 7.532 -4.689 1.00 1.19 H new ATOM 1015 N ILE A 64 -17.124 4.267 -3.602 1.00 0.60 N ATOM 1016 CA ILE A 64 -16.266 3.844 -2.463 1.00 0.56 C ATOM 1017 C ILE A 64 -16.033 5.059 -1.559 1.00 0.60 C ATOM 1018 O ILE A 64 -15.531 6.081 -1.987 1.00 0.61 O ATOM 1019 CB ILE A 64 -14.933 3.292 -2.987 1.00 0.49 C ATOM 1020 CG1 ILE A 64 -14.022 2.951 -1.805 1.00 0.47 C ATOM 1021 CG2 ILE A 64 -14.250 4.322 -3.882 1.00 0.53 C ATOM 1022 CD1 ILE A 64 -12.620 2.610 -2.317 1.00 0.43 C ATOM 0 H ILE A 64 -16.623 4.650 -4.404 1.00 0.60 H new ATOM 0 HA ILE A 64 -16.755 3.053 -1.893 1.00 0.56 H new ATOM 0 HB ILE A 64 -15.126 2.392 -3.571 1.00 0.49 H new ATOM 0 HG12 ILE A 64 -13.973 3.794 -1.116 1.00 0.47 H new ATOM 0 HG13 ILE A 64 -14.432 2.108 -1.249 1.00 0.47 H new ATOM 0 HG21 ILE A 64 -13.306 3.918 -4.247 1.00 0.53 H new ATOM 0 HG22 ILE A 64 -14.896 4.554 -4.728 1.00 0.53 H new ATOM 0 HG23 ILE A 64 -14.059 5.231 -3.311 1.00 0.53 H new ATOM 0 HD11 ILE A 64 -11.974 2.368 -1.473 1.00 0.43 H new ATOM 0 HD12 ILE A 64 -12.676 1.753 -2.989 1.00 0.43 H new ATOM 0 HD13 ILE A 64 -12.211 3.466 -2.854 1.00 0.43 H new ATOM 1034 N GLU A 65 -16.423 4.968 -0.318 1.00 0.66 N ATOM 1035 CA GLU A 65 -16.246 6.124 0.605 1.00 0.72 C ATOM 1036 C GLU A 65 -14.911 5.999 1.339 1.00 0.70 C ATOM 1037 O GLU A 65 -14.753 5.183 2.223 1.00 0.82 O ATOM 1038 CB GLU A 65 -17.387 6.142 1.624 1.00 0.81 C ATOM 1039 CG GLU A 65 -17.512 7.542 2.227 1.00 1.18 C ATOM 1040 CD GLU A 65 -18.464 7.500 3.424 1.00 1.61 C ATOM 1041 OE1 GLU A 65 -18.174 6.774 4.361 1.00 2.26 O ATOM 1042 OE2 GLU A 65 -19.466 8.194 3.384 1.00 2.09 O ATOM 0 H GLU A 65 -16.857 4.143 0.097 1.00 0.66 H new ATOM 0 HA GLU A 65 -16.256 7.049 0.029 1.00 0.72 H new ATOM 0 HB2 GLU A 65 -18.323 5.857 1.143 1.00 0.81 H new ATOM 0 HB3 GLU A 65 -17.198 5.412 2.411 1.00 0.81 H new ATOM 0 HG2 GLU A 65 -16.532 7.903 2.541 1.00 1.18 H new ATOM 0 HG3 GLU A 65 -17.884 8.240 1.477 1.00 1.18 H new ATOM 1049 N ILE A 66 -13.952 6.809 0.984 1.00 0.67 N ATOM 1050 CA ILE A 66 -12.631 6.745 1.661 1.00 0.68 C ATOM 1051 C ILE A 66 -12.448 8.000 2.514 1.00 0.83 C ATOM 1052 O ILE A 66 -12.544 9.113 2.036 1.00 1.00 O ATOM 1053 CB ILE A 66 -11.519 6.665 0.611 1.00 0.63 C ATOM 1054 CG1 ILE A 66 -11.456 5.244 0.045 1.00 0.71 C ATOM 1055 CG2 ILE A 66 -10.172 7.011 1.251 1.00 0.85 C ATOM 1056 CD1 ILE A 66 -11.761 5.269 -1.453 1.00 0.54 C ATOM 0 H ILE A 66 -14.029 7.514 0.251 1.00 0.67 H new ATOM 0 HA ILE A 66 -12.584 5.861 2.296 1.00 0.68 H new ATOM 0 HB ILE A 66 -11.732 7.374 -0.189 1.00 0.63 H new ATOM 0 HG12 ILE A 66 -10.468 4.818 0.217 1.00 0.71 H new ATOM 0 HG13 ILE A 66 -12.173 4.605 0.561 1.00 0.71 H new ATOM 0 HG21 ILE A 66 -9.386 6.952 0.498 1.00 0.85 H new ATOM 0 HG22 ILE A 66 -10.211 8.022 1.657 1.00 0.85 H new ATOM 0 HG23 ILE A 66 -9.959 6.306 2.054 1.00 0.85 H new ATOM 0 HD11 ILE A 66 -11.715 4.255 -1.851 1.00 0.54 H new ATOM 0 HD12 ILE A 66 -12.759 5.677 -1.614 1.00 0.54 H new ATOM 0 HD13 ILE A 66 -11.027 5.893 -1.963 1.00 0.54 H new ATOM 1068 N CYS A 67 -12.187 7.823 3.774 1.00 0.85 N ATOM 1069 CA CYS A 67 -11.997 8.996 4.673 1.00 1.00 C ATOM 1070 C CYS A 67 -13.310 9.773 4.780 1.00 1.07 C ATOM 1071 O CYS A 67 -13.347 10.975 4.605 1.00 1.57 O ATOM 1072 CB CYS A 67 -10.909 9.906 4.101 1.00 1.13 C ATOM 1073 SG CYS A 67 -9.440 9.823 5.155 1.00 1.25 S ATOM 0 H CYS A 67 -12.096 6.913 4.226 1.00 0.85 H new ATOM 0 HA CYS A 67 -11.697 8.651 5.663 1.00 1.00 H new ATOM 0 HB2 CYS A 67 -10.659 9.599 3.085 1.00 1.13 H new ATOM 0 HB3 CYS A 67 -11.271 10.932 4.043 1.00 1.13 H new ATOM 0 HG CYS A 67 -9.292 10.952 5.783 1.00 1.25 H new ATOM 1079 N GLY A 68 -14.388 9.097 5.068 1.00 1.15 N ATOM 1080 CA GLY A 68 -15.698 9.797 5.187 1.00 1.33 C ATOM 1081 C GLY A 68 -15.905 10.704 3.974 1.00 1.17 C ATOM 1082 O GLY A 68 -16.516 11.750 4.067 1.00 1.40 O ATOM 0 H GLY A 68 -14.418 8.090 5.226 1.00 1.15 H new ATOM 0 HA2 GLY A 68 -16.507 9.069 5.252 1.00 1.33 H new ATOM 0 HA3 GLY A 68 -15.725 10.386 6.104 1.00 1.33 H new ATOM 1086 N HIS A 69 -15.401 10.314 2.835 1.00 0.98 N ATOM 1087 CA HIS A 69 -15.572 11.157 1.619 1.00 1.05 C ATOM 1088 C HIS A 69 -16.098 10.296 0.469 1.00 0.95 C ATOM 1089 O HIS A 69 -15.547 9.260 0.153 1.00 0.91 O ATOM 1090 CB HIS A 69 -14.224 11.764 1.225 1.00 1.15 C ATOM 1091 CG HIS A 69 -13.852 12.838 2.209 1.00 1.49 C ATOM 1092 ND1 HIS A 69 -12.739 13.019 2.992 1.00 2.10 N flip ATOM 1093 CD2 HIS A 69 -14.685 13.911 2.482 1.00 1.71 C flip ATOM 1094 CE1 HIS A 69 -12.877 14.185 3.740 1.00 2.35 C flip ATOM 1095 NE2 HIS A 69 -14.067 14.683 3.394 1.00 2.08 N flip ATOM 0 H HIS A 69 -14.879 9.449 2.695 1.00 0.98 H new ATOM 0 HA HIS A 69 -16.283 11.956 1.829 1.00 1.05 H new ATOM 0 HB2 HIS A 69 -13.456 10.991 1.207 1.00 1.15 H new ATOM 0 HB3 HIS A 69 -14.281 12.181 0.219 1.00 1.15 H new ATOM 0 HD2 HIS A 69 -15.654 14.094 2.042 1.00 1.71 H new ATOM 0 HE1 HIS A 69 -12.173 14.598 4.448 1.00 2.35 H new ATOM 0 HE2 HIS A 69 -14.459 15.544 3.775 1.00 2.08 H new ATOM 1103 N LYS A 70 -17.161 10.717 -0.159 1.00 1.03 N ATOM 1104 CA LYS A 70 -17.722 9.925 -1.289 1.00 0.97 C ATOM 1105 C LYS A 70 -16.691 9.866 -2.417 1.00 0.93 C ATOM 1106 O LYS A 70 -16.028 10.840 -2.713 1.00 1.07 O ATOM 1107 CB LYS A 70 -18.993 10.601 -1.800 1.00 1.09 C ATOM 1108 CG LYS A 70 -20.184 9.654 -1.638 1.00 1.48 C ATOM 1109 CD LYS A 70 -21.250 10.318 -0.765 1.00 2.22 C ATOM 1110 CE LYS A 70 -22.597 10.283 -1.489 1.00 3.00 C ATOM 1111 NZ LYS A 70 -23.698 10.221 -0.486 1.00 3.78 N ATOM 0 H LYS A 70 -17.665 11.576 0.062 1.00 1.03 H new ATOM 0 HA LYS A 70 -17.958 8.916 -0.951 1.00 0.97 H new ATOM 0 HB2 LYS A 70 -19.172 11.524 -1.248 1.00 1.09 H new ATOM 0 HB3 LYS A 70 -18.874 10.875 -2.848 1.00 1.09 H new ATOM 0 HG2 LYS A 70 -20.601 9.407 -2.614 1.00 1.48 H new ATOM 0 HG3 LYS A 70 -19.859 8.718 -1.184 1.00 1.48 H new ATOM 0 HD2 LYS A 70 -21.326 9.801 0.192 1.00 2.22 H new ATOM 0 HD3 LYS A 70 -20.968 11.348 -0.549 1.00 2.22 H new ATOM 0 HE2 LYS A 70 -22.709 11.169 -2.114 1.00 3.00 H new ATOM 0 HE3 LYS A 70 -22.644 9.418 -2.151 1.00 3.00 H new ATOM 0 HZ1 LYS A 70 -24.614 10.197 -0.977 1.00 3.78 H new ATOM 0 HZ2 LYS A 70 -23.593 9.363 0.092 1.00 3.78 H new ATOM 0 HZ3 LYS A 70 -23.656 11.060 0.128 1.00 3.78 H new ATOM 1125 N ALA A 71 -16.543 8.734 -3.044 1.00 0.79 N ATOM 1126 CA ALA A 71 -15.545 8.625 -4.146 1.00 0.78 C ATOM 1127 C ALA A 71 -15.887 7.444 -5.053 1.00 0.75 C ATOM 1128 O ALA A 71 -15.574 6.318 -4.747 1.00 0.85 O ATOM 1129 CB ALA A 71 -14.157 8.395 -3.544 1.00 0.73 C ATOM 0 H ALA A 71 -17.067 7.882 -2.843 1.00 0.79 H new ATOM 0 HA ALA A 71 -15.560 9.545 -4.730 1.00 0.78 H new ATOM 0 HB1 ALA A 71 -13.422 8.314 -4.345 1.00 0.73 H new ATOM 0 HB2 ALA A 71 -13.898 9.233 -2.897 1.00 0.73 H new ATOM 0 HB3 ALA A 71 -14.161 7.474 -2.961 1.00 0.73 H new ATOM 1135 N ILE A 72 -16.503 7.686 -6.178 1.00 0.75 N ATOM 1136 CA ILE A 72 -16.827 6.554 -7.095 1.00 0.73 C ATOM 1137 C ILE A 72 -15.567 6.194 -7.878 1.00 0.72 C ATOM 1138 O ILE A 72 -14.709 7.025 -8.101 1.00 0.83 O ATOM 1139 CB ILE A 72 -17.941 6.969 -8.067 1.00 0.82 C ATOM 1140 CG1 ILE A 72 -19.300 6.808 -7.367 1.00 0.86 C ATOM 1141 CG2 ILE A 72 -17.889 6.109 -9.341 1.00 0.88 C ATOM 1142 CD1 ILE A 72 -19.916 5.436 -7.670 1.00 0.94 C ATOM 0 H ILE A 72 -16.794 8.609 -6.501 1.00 0.75 H new ATOM 0 HA ILE A 72 -17.171 5.695 -6.519 1.00 0.73 H new ATOM 0 HB ILE A 72 -17.802 8.010 -8.357 1.00 0.82 H new ATOM 0 HG12 ILE A 72 -19.175 6.924 -6.291 1.00 0.86 H new ATOM 0 HG13 ILE A 72 -19.978 7.596 -7.696 1.00 0.86 H new ATOM 0 HG21 ILE A 72 -18.685 6.416 -10.020 1.00 0.88 H new ATOM 0 HG22 ILE A 72 -16.924 6.241 -9.830 1.00 0.88 H new ATOM 0 HG23 ILE A 72 -18.021 5.060 -9.077 1.00 0.88 H new ATOM 0 HD11 ILE A 72 -20.877 5.348 -7.163 1.00 0.94 H new ATOM 0 HD12 ILE A 72 -20.063 5.332 -8.745 1.00 0.94 H new ATOM 0 HD13 ILE A 72 -19.247 4.651 -7.318 1.00 0.94 H new ATOM 1154 N GLY A 73 -15.443 4.971 -8.302 1.00 0.66 N ATOM 1155 CA GLY A 73 -14.225 4.593 -9.074 1.00 0.68 C ATOM 1156 C GLY A 73 -14.296 3.137 -9.530 1.00 0.66 C ATOM 1157 O GLY A 73 -15.267 2.444 -9.309 1.00 0.69 O ATOM 0 H GLY A 73 -16.121 4.223 -8.152 1.00 0.66 H new ATOM 0 HA2 GLY A 73 -14.123 5.245 -9.942 1.00 0.68 H new ATOM 0 HA3 GLY A 73 -13.339 4.742 -8.457 1.00 0.68 H new ATOM 1161 N THR A 74 -13.262 2.673 -10.175 1.00 0.65 N ATOM 1162 CA THR A 74 -13.250 1.266 -10.665 1.00 0.65 C ATOM 1163 C THR A 74 -12.639 0.347 -9.604 1.00 0.54 C ATOM 1164 O THR A 74 -11.439 0.339 -9.387 1.00 0.51 O ATOM 1165 CB THR A 74 -12.421 1.182 -11.949 1.00 0.75 C ATOM 1166 OG1 THR A 74 -12.712 2.303 -12.772 1.00 0.91 O ATOM 1167 CG2 THR A 74 -12.765 -0.106 -12.697 1.00 0.83 C ATOM 0 H THR A 74 -12.421 3.210 -10.385 1.00 0.65 H new ATOM 0 HA THR A 74 -14.273 0.949 -10.866 1.00 0.65 H new ATOM 0 HB THR A 74 -11.360 1.181 -11.698 1.00 0.75 H new ATOM 0 HG1 THR A 74 -13.239 2.013 -13.546 1.00 0.91 H new ATOM 0 HG21 THR A 74 -12.174 -0.165 -13.611 1.00 0.83 H new ATOM 0 HG22 THR A 74 -12.541 -0.965 -12.064 1.00 0.83 H new ATOM 0 HG23 THR A 74 -13.825 -0.108 -12.950 1.00 0.83 H new ATOM 1175 N VAL A 75 -13.456 -0.431 -8.947 1.00 0.52 N ATOM 1176 CA VAL A 75 -12.928 -1.359 -7.904 1.00 0.45 C ATOM 1177 C VAL A 75 -12.824 -2.777 -8.477 1.00 0.51 C ATOM 1178 O VAL A 75 -13.813 -3.394 -8.818 1.00 0.80 O ATOM 1179 CB VAL A 75 -13.867 -1.370 -6.695 1.00 0.44 C ATOM 1180 CG1 VAL A 75 -13.063 -1.673 -5.430 1.00 0.41 C ATOM 1181 CG2 VAL A 75 -14.533 -0.001 -6.549 1.00 0.44 C ATOM 0 H VAL A 75 -14.466 -0.465 -9.087 1.00 0.52 H new ATOM 0 HA VAL A 75 -11.940 -1.018 -7.593 1.00 0.45 H new ATOM 0 HB VAL A 75 -14.631 -2.134 -6.839 1.00 0.44 H new ATOM 0 HG11 VAL A 75 -13.730 -1.681 -4.568 1.00 0.41 H new ATOM 0 HG12 VAL A 75 -12.584 -2.647 -5.528 1.00 0.41 H new ATOM 0 HG13 VAL A 75 -12.300 -0.907 -5.291 1.00 0.41 H new ATOM 0 HG21 VAL A 75 -15.201 -0.011 -5.688 1.00 0.44 H new ATOM 0 HG22 VAL A 75 -13.768 0.762 -6.406 1.00 0.44 H new ATOM 0 HG23 VAL A 75 -15.105 0.223 -7.449 1.00 0.44 H new ATOM 1191 N LEU A 76 -11.631 -3.297 -8.582 1.00 0.51 N ATOM 1192 CA LEU A 76 -11.455 -4.674 -9.128 1.00 0.56 C ATOM 1193 C LEU A 76 -11.689 -5.696 -8.016 1.00 0.56 C ATOM 1194 O LEU A 76 -10.909 -5.812 -7.101 1.00 0.73 O ATOM 1195 CB LEU A 76 -10.030 -4.829 -9.657 1.00 0.56 C ATOM 1196 CG LEU A 76 -9.730 -3.700 -10.641 1.00 0.61 C ATOM 1197 CD1 LEU A 76 -9.014 -2.569 -9.906 1.00 0.58 C ATOM 1198 CD2 LEU A 76 -8.833 -4.225 -11.764 1.00 0.75 C ATOM 0 H LEU A 76 -10.767 -2.826 -8.312 1.00 0.51 H new ATOM 0 HA LEU A 76 -12.169 -4.839 -9.935 1.00 0.56 H new ATOM 0 HB2 LEU A 76 -9.319 -4.805 -8.831 1.00 0.56 H new ATOM 0 HB3 LEU A 76 -9.916 -5.795 -10.149 1.00 0.56 H new ATOM 0 HG LEU A 76 -10.662 -3.329 -11.066 1.00 0.61 H new ATOM 0 HD11 LEU A 76 -8.798 -1.761 -10.605 1.00 0.58 H new ATOM 0 HD12 LEU A 76 -9.651 -2.195 -9.105 1.00 0.58 H new ATOM 0 HD13 LEU A 76 -8.081 -2.943 -9.484 1.00 0.58 H new ATOM 0 HD21 LEU A 76 -8.619 -3.419 -12.466 1.00 0.75 H new ATOM 0 HD22 LEU A 76 -7.899 -4.595 -11.341 1.00 0.75 H new ATOM 0 HD23 LEU A 76 -9.341 -5.036 -12.286 1.00 0.75 H new ATOM 1210 N VAL A 77 -12.755 -6.435 -8.087 1.00 0.56 N ATOM 1211 CA VAL A 77 -13.031 -7.445 -7.026 1.00 0.60 C ATOM 1212 C VAL A 77 -12.399 -8.787 -7.409 1.00 0.62 C ATOM 1213 O VAL A 77 -12.783 -9.412 -8.377 1.00 0.69 O ATOM 1214 CB VAL A 77 -14.544 -7.616 -6.874 1.00 0.70 C ATOM 1215 CG1 VAL A 77 -14.844 -8.433 -5.618 1.00 0.79 C ATOM 1216 CG2 VAL A 77 -15.202 -6.239 -6.754 1.00 0.82 C ATOM 0 H VAL A 77 -13.450 -6.386 -8.832 1.00 0.56 H new ATOM 0 HA VAL A 77 -12.603 -7.106 -6.083 1.00 0.60 H new ATOM 0 HB VAL A 77 -14.939 -8.135 -7.747 1.00 0.70 H new ATOM 0 HG11 VAL A 77 -15.922 -8.554 -5.511 1.00 0.79 H new ATOM 0 HG12 VAL A 77 -14.375 -9.414 -5.701 1.00 0.79 H new ATOM 0 HG13 VAL A 77 -14.449 -7.915 -4.744 1.00 0.79 H new ATOM 0 HG21 VAL A 77 -16.280 -6.359 -6.646 1.00 0.82 H new ATOM 0 HG22 VAL A 77 -14.805 -5.721 -5.881 1.00 0.82 H new ATOM 0 HG23 VAL A 77 -14.990 -5.655 -7.650 1.00 0.82 H new ATOM 1226 N GLY A 78 -11.436 -9.237 -6.650 1.00 0.61 N ATOM 1227 CA GLY A 78 -10.780 -10.540 -6.962 1.00 0.64 C ATOM 1228 C GLY A 78 -10.310 -11.187 -5.658 1.00 0.64 C ATOM 1229 O GLY A 78 -10.676 -10.746 -4.588 1.00 0.64 O ATOM 0 H GLY A 78 -11.075 -8.757 -5.826 1.00 0.61 H new ATOM 0 HA2 GLY A 78 -11.478 -11.199 -7.479 1.00 0.64 H new ATOM 0 HA3 GLY A 78 -9.934 -10.385 -7.631 1.00 0.64 H new ATOM 1233 N PRO A 79 -9.512 -12.217 -5.785 1.00 0.67 N ATOM 1234 CA PRO A 79 -8.971 -12.949 -4.628 1.00 0.70 C ATOM 1235 C PRO A 79 -7.767 -12.212 -4.034 1.00 0.65 C ATOM 1236 O PRO A 79 -6.774 -12.815 -3.676 1.00 0.69 O ATOM 1237 CB PRO A 79 -8.544 -14.292 -5.222 1.00 0.77 C ATOM 1238 CG PRO A 79 -8.326 -14.049 -6.735 1.00 0.76 C ATOM 1239 CD PRO A 79 -9.085 -12.756 -7.090 1.00 0.70 C ATOM 0 HA PRO A 79 -9.691 -13.052 -3.816 1.00 0.70 H new ATOM 0 HB2 PRO A 79 -7.630 -14.652 -4.751 1.00 0.77 H new ATOM 0 HB3 PRO A 79 -9.309 -15.051 -5.056 1.00 0.77 H new ATOM 0 HG2 PRO A 79 -7.265 -13.949 -6.962 1.00 0.76 H new ATOM 0 HG3 PRO A 79 -8.699 -14.890 -7.320 1.00 0.76 H new ATOM 0 HD2 PRO A 79 -8.445 -12.052 -7.622 1.00 0.70 H new ATOM 0 HD3 PRO A 79 -9.939 -12.960 -7.735 1.00 0.70 H new ATOM 1247 N THR A 80 -7.850 -10.918 -3.914 1.00 0.57 N ATOM 1248 CA THR A 80 -6.715 -10.151 -3.329 1.00 0.52 C ATOM 1249 C THR A 80 -6.878 -10.130 -1.805 1.00 0.55 C ATOM 1250 O THR A 80 -7.975 -9.970 -1.308 1.00 0.57 O ATOM 1251 CB THR A 80 -6.725 -8.719 -3.870 1.00 0.47 C ATOM 1252 OG1 THR A 80 -5.660 -7.986 -3.281 1.00 0.48 O ATOM 1253 CG2 THR A 80 -8.055 -8.052 -3.529 1.00 0.60 C ATOM 0 H THR A 80 -8.654 -10.357 -4.195 1.00 0.57 H new ATOM 0 HA THR A 80 -5.769 -10.621 -3.597 1.00 0.52 H new ATOM 0 HB THR A 80 -6.599 -8.738 -4.953 1.00 0.47 H new ATOM 0 HG1 THR A 80 -6.025 -7.313 -2.669 1.00 0.48 H new ATOM 0 HG21 THR A 80 -8.060 -7.033 -3.915 1.00 0.60 H new ATOM 0 HG22 THR A 80 -8.871 -8.615 -3.981 1.00 0.60 H new ATOM 0 HG23 THR A 80 -8.185 -8.031 -2.447 1.00 0.60 H new ATOM 1261 N PRO A 81 -5.787 -10.308 -1.107 1.00 0.55 N ATOM 1262 CA PRO A 81 -5.783 -10.330 0.368 1.00 0.59 C ATOM 1263 C PRO A 81 -5.831 -8.909 0.945 1.00 0.56 C ATOM 1264 O PRO A 81 -5.528 -8.697 2.103 1.00 0.58 O ATOM 1265 CB PRO A 81 -4.450 -11.001 0.708 1.00 0.61 C ATOM 1266 CG PRO A 81 -3.534 -10.802 -0.524 1.00 0.58 C ATOM 1267 CD PRO A 81 -4.458 -10.505 -1.718 1.00 0.55 C ATOM 0 HA PRO A 81 -6.647 -10.849 0.783 1.00 0.59 H new ATOM 0 HB2 PRO A 81 -4.006 -10.555 1.598 1.00 0.61 H new ATOM 0 HB3 PRO A 81 -4.591 -12.061 0.920 1.00 0.61 H new ATOM 0 HG2 PRO A 81 -2.837 -9.980 -0.360 1.00 0.58 H new ATOM 0 HG3 PRO A 81 -2.936 -11.694 -0.710 1.00 0.58 H new ATOM 0 HD2 PRO A 81 -4.134 -9.617 -2.261 1.00 0.55 H new ATOM 0 HD3 PRO A 81 -4.466 -11.330 -2.431 1.00 0.55 H new ATOM 1275 N VAL A 82 -6.194 -7.933 0.158 1.00 0.51 N ATOM 1276 CA VAL A 82 -6.237 -6.542 0.689 1.00 0.48 C ATOM 1277 C VAL A 82 -7.118 -5.662 -0.212 1.00 0.44 C ATOM 1278 O VAL A 82 -7.301 -5.935 -1.383 1.00 0.45 O ATOM 1279 CB VAL A 82 -4.795 -5.991 0.725 1.00 0.46 C ATOM 1280 CG1 VAL A 82 -4.779 -4.476 0.492 1.00 0.58 C ATOM 1281 CG2 VAL A 82 -4.170 -6.287 2.089 1.00 0.57 C ATOM 0 H VAL A 82 -6.460 -8.037 -0.821 1.00 0.51 H new ATOM 0 HA VAL A 82 -6.662 -6.537 1.693 1.00 0.48 H new ATOM 0 HB VAL A 82 -4.225 -6.476 -0.068 1.00 0.46 H new ATOM 0 HG11 VAL A 82 -3.751 -4.114 0.522 1.00 0.58 H new ATOM 0 HG12 VAL A 82 -5.214 -4.253 -0.482 1.00 0.58 H new ATOM 0 HG13 VAL A 82 -5.361 -3.982 1.270 1.00 0.58 H new ATOM 0 HG21 VAL A 82 -3.152 -5.898 2.115 1.00 0.57 H new ATOM 0 HG22 VAL A 82 -4.761 -5.810 2.871 1.00 0.57 H new ATOM 0 HG23 VAL A 82 -4.151 -7.364 2.255 1.00 0.57 H new ATOM 1291 N ASN A 83 -7.634 -4.588 0.326 1.00 0.44 N ATOM 1292 CA ASN A 83 -8.458 -3.661 -0.497 1.00 0.43 C ATOM 1293 C ASN A 83 -7.503 -2.612 -1.068 1.00 0.44 C ATOM 1294 O ASN A 83 -7.184 -1.632 -0.428 1.00 0.81 O ATOM 1295 CB ASN A 83 -9.519 -2.993 0.379 1.00 0.48 C ATOM 1296 CG ASN A 83 -10.610 -4.007 0.722 1.00 0.70 C ATOM 1297 OD1 ASN A 83 -11.138 -4.669 -0.149 1.00 1.44 O ATOM 1298 ND2 ASN A 83 -10.971 -4.156 1.966 1.00 0.80 N ATOM 0 H ASN A 83 -7.519 -4.314 1.302 1.00 0.44 H new ATOM 0 HA ASN A 83 -8.973 -4.193 -1.297 1.00 0.43 H new ATOM 0 HB2 ASN A 83 -9.063 -2.610 1.292 1.00 0.48 H new ATOM 0 HB3 ASN A 83 -9.952 -2.140 -0.143 1.00 0.48 H new ATOM 0 HD21 ASN A 83 -11.698 -4.829 2.209 1.00 0.80 H new ATOM 0 HD22 ASN A 83 -10.527 -3.599 2.696 1.00 0.80 H new ATOM 1305 N ILE A 84 -7.001 -2.846 -2.246 1.00 0.39 N ATOM 1306 CA ILE A 84 -6.006 -1.904 -2.840 1.00 0.39 C ATOM 1307 C ILE A 84 -6.672 -0.670 -3.457 1.00 0.32 C ATOM 1308 O ILE A 84 -7.561 -0.770 -4.279 1.00 0.37 O ATOM 1309 CB ILE A 84 -5.224 -2.633 -3.937 1.00 0.49 C ATOM 1310 CG1 ILE A 84 -4.809 -4.029 -3.448 1.00 0.70 C ATOM 1311 CG2 ILE A 84 -3.977 -1.823 -4.301 1.00 0.50 C ATOM 1312 CD1 ILE A 84 -3.622 -3.916 -2.491 1.00 0.48 C ATOM 0 H ILE A 84 -7.235 -3.651 -2.827 1.00 0.39 H new ATOM 0 HA ILE A 84 -5.349 -1.569 -2.038 1.00 0.39 H new ATOM 0 HB ILE A 84 -5.858 -2.739 -4.817 1.00 0.49 H new ATOM 0 HG12 ILE A 84 -5.647 -4.511 -2.945 1.00 0.70 H new ATOM 0 HG13 ILE A 84 -4.543 -4.657 -4.298 1.00 0.70 H new ATOM 0 HG21 ILE A 84 -3.421 -2.342 -5.082 1.00 0.50 H new ATOM 0 HG22 ILE A 84 -4.275 -0.838 -4.661 1.00 0.50 H new ATOM 0 HG23 ILE A 84 -3.346 -1.711 -3.419 1.00 0.50 H new ATOM 0 HD11 ILE A 84 -3.334 -4.910 -2.149 1.00 0.48 H new ATOM 0 HD12 ILE A 84 -2.781 -3.452 -3.007 1.00 0.48 H new ATOM 0 HD13 ILE A 84 -3.903 -3.305 -1.633 1.00 0.48 H new ATOM 1324 N ILE A 85 -6.198 0.497 -3.096 1.00 0.30 N ATOM 1325 CA ILE A 85 -6.741 1.756 -3.685 1.00 0.28 C ATOM 1326 C ILE A 85 -5.649 2.338 -4.594 1.00 0.32 C ATOM 1327 O ILE A 85 -4.644 2.835 -4.128 1.00 0.52 O ATOM 1328 CB ILE A 85 -7.085 2.758 -2.567 1.00 0.33 C ATOM 1329 CG1 ILE A 85 -8.452 2.420 -1.956 1.00 0.47 C ATOM 1330 CG2 ILE A 85 -7.136 4.177 -3.139 1.00 0.57 C ATOM 1331 CD1 ILE A 85 -8.592 0.905 -1.787 1.00 0.44 C ATOM 0 H ILE A 85 -5.452 0.630 -2.413 1.00 0.30 H new ATOM 0 HA ILE A 85 -7.652 1.557 -4.250 1.00 0.28 H new ATOM 0 HB ILE A 85 -6.316 2.696 -1.797 1.00 0.33 H new ATOM 0 HG12 ILE A 85 -8.559 2.913 -0.990 1.00 0.47 H new ATOM 0 HG13 ILE A 85 -9.249 2.798 -2.597 1.00 0.47 H new ATOM 0 HG21 ILE A 85 -7.380 4.881 -2.344 1.00 0.57 H new ATOM 0 HG22 ILE A 85 -6.166 4.433 -3.565 1.00 0.57 H new ATOM 0 HG23 ILE A 85 -7.899 4.229 -3.916 1.00 0.57 H new ATOM 0 HD11 ILE A 85 -9.565 0.676 -1.353 1.00 0.44 H new ATOM 0 HD12 ILE A 85 -8.505 0.421 -2.760 1.00 0.44 H new ATOM 0 HD13 ILE A 85 -7.805 0.538 -1.128 1.00 0.44 H new ATOM 1343 N GLY A 86 -5.821 2.252 -5.886 1.00 0.27 N ATOM 1344 CA GLY A 86 -4.774 2.770 -6.814 1.00 0.34 C ATOM 1345 C GLY A 86 -5.076 4.213 -7.212 1.00 0.39 C ATOM 1346 O GLY A 86 -5.839 4.899 -6.566 1.00 0.51 O ATOM 0 H GLY A 86 -6.640 1.846 -6.339 1.00 0.27 H new ATOM 0 HA2 GLY A 86 -3.796 2.716 -6.335 1.00 0.34 H new ATOM 0 HA3 GLY A 86 -4.727 2.143 -7.705 1.00 0.34 H new ATOM 1350 N ARG A 87 -4.470 4.675 -8.272 1.00 0.46 N ATOM 1351 CA ARG A 87 -4.703 6.076 -8.720 1.00 0.54 C ATOM 1352 C ARG A 87 -6.166 6.257 -9.124 1.00 0.53 C ATOM 1353 O ARG A 87 -6.765 7.283 -8.869 1.00 0.57 O ATOM 1354 CB ARG A 87 -3.803 6.386 -9.919 1.00 0.66 C ATOM 1355 CG ARG A 87 -2.335 6.248 -9.510 1.00 1.06 C ATOM 1356 CD ARG A 87 -2.087 7.031 -8.219 1.00 1.79 C ATOM 1357 NE ARG A 87 -2.767 8.355 -8.302 1.00 2.48 N ATOM 1358 CZ ARG A 87 -2.088 9.421 -8.622 1.00 3.41 C ATOM 1359 NH1 ARG A 87 -0.892 9.606 -8.135 1.00 4.13 N ATOM 1360 NH2 ARG A 87 -2.608 10.301 -9.431 1.00 4.07 N ATOM 0 H ARG A 87 -3.821 4.139 -8.849 1.00 0.46 H new ATOM 0 HA ARG A 87 -4.470 6.756 -7.901 1.00 0.54 H new ATOM 0 HB2 ARG A 87 -4.027 5.705 -10.740 1.00 0.66 H new ATOM 0 HB3 ARG A 87 -3.997 7.396 -10.280 1.00 0.66 H new ATOM 0 HG2 ARG A 87 -2.085 5.197 -9.364 1.00 1.06 H new ATOM 0 HG3 ARG A 87 -1.689 6.622 -10.304 1.00 1.06 H new ATOM 0 HD2 ARG A 87 -2.463 6.470 -7.363 1.00 1.79 H new ATOM 0 HD3 ARG A 87 -1.017 7.169 -8.065 1.00 1.79 H new ATOM 0 HE ARG A 87 -3.766 8.427 -8.108 1.00 2.48 H new ATOM 0 HH11 ARG A 87 -0.486 8.916 -7.503 1.00 4.13 H new ATOM 0 HH12 ARG A 87 -0.362 10.441 -8.387 1.00 4.13 H new ATOM 0 HH21 ARG A 87 -3.543 10.154 -9.811 1.00 4.07 H new ATOM 0 HH22 ARG A 87 -2.080 11.136 -9.684 1.00 4.07 H new ATOM 1374 N ASN A 88 -6.748 5.274 -9.755 1.00 0.51 N ATOM 1375 CA ASN A 88 -8.172 5.401 -10.175 1.00 0.53 C ATOM 1376 C ASN A 88 -8.989 6.018 -9.036 1.00 0.49 C ATOM 1377 O ASN A 88 -9.992 6.665 -9.259 1.00 0.54 O ATOM 1378 CB ASN A 88 -8.731 4.016 -10.507 1.00 0.54 C ATOM 1379 CG ASN A 88 -8.945 3.229 -9.212 1.00 0.58 C ATOM 1380 OD1 ASN A 88 -8.027 3.053 -8.436 1.00 1.02 O ATOM 1381 ND2 ASN A 88 -10.128 2.752 -8.941 1.00 0.59 N ATOM 0 H ASN A 88 -6.300 4.390 -9.997 1.00 0.51 H new ATOM 0 HA ASN A 88 -8.234 6.041 -11.055 1.00 0.53 H new ATOM 0 HB2 ASN A 88 -9.673 4.112 -11.047 1.00 0.54 H new ATOM 0 HB3 ASN A 88 -8.042 3.481 -11.161 1.00 0.54 H new ATOM 0 HD21 ASN A 88 -10.282 2.231 -8.078 1.00 0.59 H new ATOM 0 HD22 ASN A 88 -10.899 2.900 -9.592 1.00 0.59 H new ATOM 1388 N LEU A 89 -8.570 5.814 -7.817 1.00 0.43 N ATOM 1389 CA LEU A 89 -9.328 6.379 -6.667 1.00 0.42 C ATOM 1390 C LEU A 89 -8.543 7.529 -6.040 1.00 0.43 C ATOM 1391 O LEU A 89 -9.113 8.459 -5.504 1.00 0.46 O ATOM 1392 CB LEU A 89 -9.562 5.279 -5.632 1.00 0.40 C ATOM 1393 CG LEU A 89 -10.991 4.748 -5.768 1.00 0.48 C ATOM 1394 CD1 LEU A 89 -11.955 5.714 -5.080 1.00 0.61 C ATOM 1395 CD2 LEU A 89 -11.366 4.634 -7.247 1.00 0.58 C ATOM 0 H LEU A 89 -7.736 5.281 -7.569 1.00 0.43 H new ATOM 0 HA LEU A 89 -10.288 6.761 -7.015 1.00 0.42 H new ATOM 0 HB2 LEU A 89 -8.846 4.470 -5.777 1.00 0.40 H new ATOM 0 HB3 LEU A 89 -9.402 5.670 -4.627 1.00 0.40 H new ATOM 0 HG LEU A 89 -11.054 3.764 -5.303 1.00 0.48 H new ATOM 0 HD11 LEU A 89 -12.974 5.340 -5.174 1.00 0.61 H new ATOM 0 HD12 LEU A 89 -11.695 5.797 -4.025 1.00 0.61 H new ATOM 0 HD13 LEU A 89 -11.884 6.695 -5.550 1.00 0.61 H new ATOM 0 HD21 LEU A 89 -12.384 4.255 -7.336 1.00 0.58 H new ATOM 0 HD22 LEU A 89 -11.302 5.616 -7.715 1.00 0.58 H new ATOM 0 HD23 LEU A 89 -10.680 3.949 -7.745 1.00 0.58 H new ATOM 1407 N LEU A 90 -7.243 7.488 -6.112 1.00 0.46 N ATOM 1408 CA LEU A 90 -6.443 8.598 -5.530 1.00 0.51 C ATOM 1409 C LEU A 90 -6.694 9.861 -6.357 1.00 0.56 C ATOM 1410 O LEU A 90 -6.304 10.949 -5.985 1.00 0.64 O ATOM 1411 CB LEU A 90 -4.955 8.240 -5.561 1.00 0.56 C ATOM 1412 CG LEU A 90 -4.696 7.046 -4.637 1.00 0.48 C ATOM 1413 CD1 LEU A 90 -3.194 6.765 -4.567 1.00 0.90 C ATOM 1414 CD2 LEU A 90 -5.218 7.362 -3.234 1.00 1.15 C ATOM 0 H LEU A 90 -6.703 6.739 -6.546 1.00 0.46 H new ATOM 0 HA LEU A 90 -6.737 8.767 -4.494 1.00 0.51 H new ATOM 0 HB2 LEU A 90 -4.650 7.998 -6.579 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.358 9.095 -5.244 1.00 0.56 H new ATOM 0 HG LEU A 90 -5.211 6.169 -5.030 1.00 0.48 H new ATOM 0 HD11 LEU A 90 -3.013 5.915 -3.909 1.00 0.90 H new ATOM 0 HD12 LEU A 90 -2.820 6.537 -5.565 1.00 0.90 H new ATOM 0 HD13 LEU A 90 -2.678 7.642 -4.177 1.00 0.90 H new ATOM 0 HD21 LEU A 90 -5.033 6.512 -2.577 1.00 1.15 H new ATOM 0 HD22 LEU A 90 -4.704 8.240 -2.844 1.00 1.15 H new ATOM 0 HD23 LEU A 90 -6.289 7.559 -3.280 1.00 1.15 H new ATOM 1426 N THR A 91 -7.357 9.723 -7.476 1.00 0.62 N ATOM 1427 CA THR A 91 -7.652 10.911 -8.321 1.00 0.69 C ATOM 1428 C THR A 91 -9.024 11.461 -7.933 1.00 0.67 C ATOM 1429 O THR A 91 -9.341 12.606 -8.187 1.00 0.71 O ATOM 1430 CB THR A 91 -7.665 10.499 -9.795 1.00 0.79 C ATOM 1431 OG1 THR A 91 -8.587 9.434 -9.978 1.00 0.96 O ATOM 1432 CG2 THR A 91 -6.267 10.043 -10.213 1.00 1.00 C ATOM 0 H THR A 91 -7.706 8.836 -7.839 1.00 0.62 H new ATOM 0 HA THR A 91 -6.889 11.674 -8.169 1.00 0.69 H new ATOM 0 HB THR A 91 -7.964 11.350 -10.407 1.00 0.79 H new ATOM 0 HG1 THR A 91 -8.156 8.585 -9.745 1.00 0.96 H new ATOM 0 HG21 THR A 91 -6.279 9.750 -11.263 1.00 1.00 H new ATOM 0 HG22 THR A 91 -5.560 10.861 -10.072 1.00 1.00 H new ATOM 0 HG23 THR A 91 -5.964 9.192 -9.602 1.00 1.00 H new ATOM 1440 N GLN A 92 -9.841 10.652 -7.311 1.00 0.64 N ATOM 1441 CA GLN A 92 -11.190 11.128 -6.897 1.00 0.67 C ATOM 1442 C GLN A 92 -11.084 11.787 -5.524 1.00 0.65 C ATOM 1443 O GLN A 92 -11.678 12.816 -5.270 1.00 0.70 O ATOM 1444 CB GLN A 92 -12.154 9.943 -6.819 1.00 0.68 C ATOM 1445 CG GLN A 92 -12.392 9.383 -8.222 1.00 0.81 C ATOM 1446 CD GLN A 92 -13.708 9.932 -8.776 1.00 1.34 C ATOM 1447 OE1 GLN A 92 -14.731 9.862 -8.124 1.00 2.03 O ATOM 1448 NE2 GLN A 92 -13.726 10.481 -9.959 1.00 1.92 N ATOM 0 H GLN A 92 -9.631 9.683 -7.073 1.00 0.64 H new ATOM 0 HA GLN A 92 -11.564 11.847 -7.626 1.00 0.67 H new ATOM 0 HB2 GLN A 92 -11.742 9.168 -6.172 1.00 0.68 H new ATOM 0 HB3 GLN A 92 -13.099 10.258 -6.377 1.00 0.68 H new ATOM 0 HG2 GLN A 92 -11.566 9.657 -8.879 1.00 0.81 H new ATOM 0 HG3 GLN A 92 -12.425 8.294 -8.189 1.00 0.81 H new ATOM 0 HE21 GLN A 92 -12.868 10.540 -10.507 1.00 1.92 H new ATOM 0 HE22 GLN A 92 -14.598 10.851 -10.336 1.00 1.92 H new ATOM 1457 N ILE A 93 -10.317 11.210 -4.639 1.00 0.61 N ATOM 1458 CA ILE A 93 -10.159 11.817 -3.291 1.00 0.64 C ATOM 1459 C ILE A 93 -9.089 12.912 -3.369 1.00 0.65 C ATOM 1460 O ILE A 93 -8.859 13.642 -2.425 1.00 0.72 O ATOM 1461 CB ILE A 93 -9.744 10.741 -2.281 1.00 0.64 C ATOM 1462 CG1 ILE A 93 -8.695 9.820 -2.908 1.00 0.59 C ATOM 1463 CG2 ILE A 93 -10.967 9.911 -1.887 1.00 0.74 C ATOM 1464 CD1 ILE A 93 -7.678 9.400 -1.846 1.00 0.70 C ATOM 0 H ILE A 93 -9.795 10.347 -4.792 1.00 0.61 H new ATOM 0 HA ILE A 93 -11.104 12.251 -2.964 1.00 0.64 H new ATOM 0 HB ILE A 93 -9.325 11.223 -1.398 1.00 0.64 H new ATOM 0 HG12 ILE A 93 -9.177 8.939 -3.332 1.00 0.59 H new ATOM 0 HG13 ILE A 93 -8.190 10.332 -3.727 1.00 0.59 H new ATOM 0 HG21 ILE A 93 -10.672 9.146 -1.169 1.00 0.74 H new ATOM 0 HG22 ILE A 93 -11.718 10.560 -1.437 1.00 0.74 H new ATOM 0 HG23 ILE A 93 -11.384 9.434 -2.774 1.00 0.74 H new ATOM 0 HD11 ILE A 93 -6.932 8.744 -2.295 1.00 0.70 H new ATOM 0 HD12 ILE A 93 -7.187 10.285 -1.443 1.00 0.70 H new ATOM 0 HD13 ILE A 93 -8.189 8.871 -1.042 1.00 0.70 H new ATOM 1476 N GLY A 94 -8.448 13.042 -4.504 1.00 0.64 N ATOM 1477 CA GLY A 94 -7.407 14.101 -4.671 1.00 0.68 C ATOM 1478 C GLY A 94 -6.147 13.757 -3.870 1.00 0.62 C ATOM 1479 O GLY A 94 -5.448 14.633 -3.402 1.00 0.69 O ATOM 0 H GLY A 94 -8.602 12.457 -5.325 1.00 0.64 H new ATOM 0 HA2 GLY A 94 -7.155 14.206 -5.726 1.00 0.68 H new ATOM 0 HA3 GLY A 94 -7.803 15.061 -4.340 1.00 0.68 H new ATOM 1483 N ALA A 95 -5.843 12.498 -3.707 1.00 0.59 N ATOM 1484 CA ALA A 95 -4.621 12.130 -2.934 1.00 0.54 C ATOM 1485 C ALA A 95 -3.382 12.695 -3.634 1.00 0.57 C ATOM 1486 O ALA A 95 -3.334 12.803 -4.843 1.00 0.68 O ATOM 1487 CB ALA A 95 -4.495 10.608 -2.842 1.00 0.52 C ATOM 0 H ALA A 95 -6.383 11.713 -4.072 1.00 0.59 H new ATOM 0 HA ALA A 95 -4.701 12.546 -1.930 1.00 0.54 H new ATOM 0 HB1 ALA A 95 -3.600 10.351 -2.276 1.00 0.52 H new ATOM 0 HB2 ALA A 95 -5.372 10.200 -2.339 1.00 0.52 H new ATOM 0 HB3 ALA A 95 -4.423 10.188 -3.845 1.00 0.52 H new ATOM 1493 N THR A 96 -2.376 13.046 -2.882 1.00 0.54 N ATOM 1494 CA THR A 96 -1.133 13.594 -3.495 1.00 0.60 C ATOM 1495 C THR A 96 0.068 13.109 -2.688 1.00 0.54 C ATOM 1496 O THR A 96 0.087 13.188 -1.476 1.00 0.54 O ATOM 1497 CB THR A 96 -1.178 15.122 -3.477 1.00 0.71 C ATOM 1498 OG1 THR A 96 -0.840 15.590 -2.179 1.00 0.74 O ATOM 1499 CG2 THR A 96 -2.584 15.598 -3.845 1.00 0.83 C ATOM 0 H THR A 96 -2.361 12.977 -1.864 1.00 0.54 H new ATOM 0 HA THR A 96 -1.050 13.254 -4.527 1.00 0.60 H new ATOM 0 HB THR A 96 -0.464 15.515 -4.201 1.00 0.71 H new ATOM 0 HG1 THR A 96 -0.817 14.835 -1.555 1.00 0.74 H new ATOM 0 HG21 THR A 96 -2.614 16.687 -3.832 1.00 0.83 H new ATOM 0 HG22 THR A 96 -2.840 15.240 -4.842 1.00 0.83 H new ATOM 0 HG23 THR A 96 -3.301 15.206 -3.124 1.00 0.83 H new ATOM 1507 N LEU A 97 1.069 12.601 -3.347 1.00 0.55 N ATOM 1508 CA LEU A 97 2.262 12.104 -2.611 1.00 0.53 C ATOM 1509 C LEU A 97 3.296 13.221 -2.493 1.00 0.59 C ATOM 1510 O LEU A 97 4.152 13.378 -3.342 1.00 0.66 O ATOM 1511 CB LEU A 97 2.877 10.929 -3.369 1.00 0.53 C ATOM 1512 CG LEU A 97 2.492 9.624 -2.675 1.00 0.49 C ATOM 1513 CD1 LEU A 97 0.980 9.436 -2.758 1.00 0.61 C ATOM 1514 CD2 LEU A 97 3.187 8.456 -3.371 1.00 0.56 C ATOM 0 H LEU A 97 1.113 12.508 -4.362 1.00 0.55 H new ATOM 0 HA LEU A 97 1.959 11.781 -1.615 1.00 0.53 H new ATOM 0 HB2 LEU A 97 2.526 10.923 -4.401 1.00 0.53 H new ATOM 0 HB3 LEU A 97 3.962 11.030 -3.402 1.00 0.53 H new ATOM 0 HG LEU A 97 2.799 9.661 -1.630 1.00 0.49 H new ATOM 0 HD11 LEU A 97 0.701 8.505 -2.264 1.00 0.61 H new ATOM 0 HD12 LEU A 97 0.482 10.271 -2.266 1.00 0.61 H new ATOM 0 HD13 LEU A 97 0.675 9.397 -3.804 1.00 0.61 H new ATOM 0 HD21 LEU A 97 2.914 7.523 -2.877 1.00 0.56 H new ATOM 0 HD22 LEU A 97 2.877 8.418 -4.415 1.00 0.56 H new ATOM 0 HD23 LEU A 97 4.267 8.591 -3.318 1.00 0.56 H new ATOM 1526 N ASN A 98 3.234 13.997 -1.447 1.00 0.60 N ATOM 1527 CA ASN A 98 4.228 15.091 -1.287 1.00 0.65 C ATOM 1528 C ASN A 98 5.340 14.619 -0.356 1.00 0.60 C ATOM 1529 O ASN A 98 5.093 14.186 0.750 1.00 0.59 O ATOM 1530 CB ASN A 98 3.561 16.327 -0.691 1.00 0.74 C ATOM 1531 CG ASN A 98 2.196 16.546 -1.346 1.00 0.78 C ATOM 1532 OD1 ASN A 98 1.945 16.004 -2.507 1.00 0.86 O flip ATOM 1533 ND2 ASN A 98 1.346 17.217 -0.794 1.00 0.81 N flip ATOM 0 H ASN A 98 2.542 13.921 -0.701 1.00 0.60 H new ATOM 0 HA ASN A 98 4.639 15.348 -2.263 1.00 0.65 H new ATOM 0 HB2 ASN A 98 3.442 16.204 0.386 1.00 0.74 H new ATOM 0 HB3 ASN A 98 4.193 17.202 -0.844 1.00 0.74 H new ATOM 0 HD21 ASN A 98 1.541 17.641 0.113 1.00 0.81 H new ATOM 0 HD22 ASN A 98 0.438 17.356 -1.238 1.00 0.81 H new ATOM 1540 N PHE A 99 6.560 14.703 -0.797 1.00 0.62 N ATOM 1541 CA PHE A 99 7.698 14.256 0.060 1.00 0.63 C ATOM 1542 C PHE A 99 8.835 15.276 -0.031 1.00 0.73 C ATOM 1543 O PHE A 99 9.979 14.855 -0.070 1.00 1.32 O ATOM 1544 CB PHE A 99 8.210 12.880 -0.402 1.00 0.59 C ATOM 1545 CG PHE A 99 7.729 12.576 -1.806 1.00 0.63 C ATOM 1546 CD1 PHE A 99 7.991 13.477 -2.843 1.00 0.89 C ATOM 1547 CD2 PHE A 99 7.030 11.392 -2.072 1.00 0.86 C ATOM 1548 CE1 PHE A 99 7.557 13.196 -4.143 1.00 1.00 C ATOM 1549 CE2 PHE A 99 6.595 11.111 -3.371 1.00 0.93 C ATOM 1550 CZ PHE A 99 6.858 12.012 -4.406 1.00 0.85 C ATOM 1551 OXT PHE A 99 8.542 16.460 -0.057 1.00 1.32 O ATOM 0 H PHE A 99 6.823 15.062 -1.715 1.00 0.62 H new ATOM 0 HA PHE A 99 7.352 14.177 1.091 1.00 0.63 H new ATOM 0 HB2 PHE A 99 9.299 12.863 -0.373 1.00 0.59 H new ATOM 0 HB3 PHE A 99 7.861 12.107 0.283 1.00 0.59 H new ATOM 0 HD1 PHE A 99 8.529 14.391 -2.640 1.00 0.89 H new ATOM 0 HD2 PHE A 99 6.827 10.695 -1.273 1.00 0.86 H new ATOM 0 HE1 PHE A 99 7.761 13.892 -4.943 1.00 1.00 H new ATOM 0 HE2 PHE A 99 6.056 10.198 -3.574 1.00 0.93 H new ATOM 0 HZ PHE A 99 6.522 11.795 -5.409 1.00 0.85 H new TER 1561 PHE A 99 ATOM 1562 N PRO B 1 8.638 17.003 -2.681 1.00 0.80 N ATOM 1563 CA PRO B 1 8.057 17.157 -4.051 1.00 0.82 C ATOM 1564 C PRO B 1 6.625 16.622 -4.083 1.00 0.77 C ATOM 1565 O PRO B 1 6.368 15.489 -3.728 1.00 0.77 O ATOM 1566 CB PRO B 1 8.915 16.354 -5.027 1.00 0.88 C ATOM 1567 CG PRO B 1 10.034 15.711 -4.218 1.00 0.88 C ATOM 1568 CD PRO B 1 9.928 16.254 -2.794 1.00 0.84 C ATOM 0 H2 PRO B 1 7.989 16.501 -2.075 1.00 0.80 H new ATOM 0 H3 PRO B 1 8.795 17.918 -2.258 1.00 0.80 H new ATOM 0 HA PRO B 1 8.042 18.211 -4.327 1.00 0.82 H new ATOM 0 HB2 PRO B 1 8.317 15.593 -5.529 1.00 0.88 H new ATOM 0 HB3 PRO B 1 9.324 17.001 -5.803 1.00 0.88 H new ATOM 0 HG2 PRO B 1 9.939 14.625 -4.224 1.00 0.88 H new ATOM 0 HG3 PRO B 1 11.007 15.948 -4.649 1.00 0.88 H new ATOM 0 HD2 PRO B 1 9.960 15.438 -2.072 1.00 0.84 H new ATOM 0 HD3 PRO B 1 10.770 16.909 -2.572 1.00 0.84 H new ATOM 1578 N GLN B 2 5.695 17.420 -4.528 1.00 0.83 N ATOM 1579 CA GLN B 2 4.287 16.945 -4.608 1.00 0.81 C ATOM 1580 C GLN B 2 4.119 16.197 -5.930 1.00 0.86 C ATOM 1581 O GLN B 2 4.641 16.607 -6.947 1.00 1.03 O ATOM 1582 CB GLN B 2 3.335 18.143 -4.566 1.00 0.92 C ATOM 1583 CG GLN B 2 1.888 17.648 -4.609 1.00 0.88 C ATOM 1584 CD GLN B 2 1.121 18.405 -5.695 1.00 1.02 C ATOM 1585 OE1 GLN B 2 1.699 18.845 -6.669 1.00 1.58 O ATOM 1586 NE2 GLN B 2 -0.166 18.575 -5.569 1.00 1.43 N ATOM 0 H GLN B 2 5.849 18.379 -4.839 1.00 0.83 H new ATOM 0 HA GLN B 2 4.057 16.289 -3.768 1.00 0.81 H new ATOM 0 HB2 GLN B 2 3.505 18.724 -3.660 1.00 0.92 H new ATOM 0 HB3 GLN B 2 3.529 18.805 -5.410 1.00 0.92 H new ATOM 0 HG2 GLN B 2 1.865 16.577 -4.812 1.00 0.88 H new ATOM 0 HG3 GLN B 2 1.412 17.799 -3.640 1.00 0.88 H new ATOM 0 HE21 GLN B 2 -0.652 18.206 -4.752 1.00 1.43 H new ATOM 0 HE22 GLN B 2 -0.687 19.077 -6.288 1.00 1.43 H new ATOM 1595 N VAL B 3 3.419 15.097 -5.935 1.00 0.77 N ATOM 1596 CA VAL B 3 3.267 14.346 -7.210 1.00 0.87 C ATOM 1597 C VAL B 3 1.833 13.837 -7.359 1.00 0.93 C ATOM 1598 O VAL B 3 1.422 12.895 -6.712 1.00 0.95 O ATOM 1599 CB VAL B 3 4.249 13.169 -7.217 1.00 0.87 C ATOM 1600 CG1 VAL B 3 3.858 12.169 -8.309 1.00 1.05 C ATOM 1601 CG2 VAL B 3 5.660 13.693 -7.498 1.00 0.94 C ATOM 0 H VAL B 3 2.952 14.691 -5.124 1.00 0.77 H new ATOM 0 HA VAL B 3 3.484 15.008 -8.049 1.00 0.87 H new ATOM 0 HB VAL B 3 4.221 12.672 -6.247 1.00 0.87 H new ATOM 0 HG11 VAL B 3 4.561 11.336 -8.308 1.00 1.05 H new ATOM 0 HG12 VAL B 3 2.852 11.796 -8.117 1.00 1.05 H new ATOM 0 HG13 VAL B 3 3.883 12.663 -9.280 1.00 1.05 H new ATOM 0 HG21 VAL B 3 6.363 12.860 -7.504 1.00 0.94 H new ATOM 0 HG22 VAL B 3 5.677 14.190 -8.468 1.00 0.94 H new ATOM 0 HG23 VAL B 3 5.946 14.403 -6.722 1.00 0.94 H new ATOM 1611 N THR B 4 1.077 14.449 -8.229 1.00 1.02 N ATOM 1612 CA THR B 4 -0.325 14.004 -8.453 1.00 1.12 C ATOM 1613 C THR B 4 -0.471 13.588 -9.919 1.00 1.45 C ATOM 1614 O THR B 4 -0.545 12.419 -10.238 1.00 2.01 O ATOM 1615 CB THR B 4 -1.288 15.154 -8.145 1.00 1.25 C ATOM 1616 OG1 THR B 4 -0.750 16.369 -8.650 1.00 1.71 O ATOM 1617 CG2 THR B 4 -1.481 15.269 -6.632 1.00 1.57 C ATOM 0 H THR B 4 1.373 15.243 -8.797 1.00 1.02 H new ATOM 0 HA THR B 4 -0.560 13.164 -7.799 1.00 1.12 H new ATOM 0 HB THR B 4 -2.251 14.959 -8.618 1.00 1.25 H new ATOM 0 HG1 THR B 4 -1.366 17.106 -8.455 1.00 1.71 H new ATOM 0 HG21 THR B 4 -2.167 16.088 -6.414 1.00 1.57 H new ATOM 0 HG22 THR B 4 -1.894 14.337 -6.246 1.00 1.57 H new ATOM 0 HG23 THR B 4 -0.520 15.464 -6.156 1.00 1.57 H new ATOM 1625 N LEU B 5 -0.494 14.545 -10.812 1.00 1.68 N ATOM 1626 CA LEU B 5 -0.616 14.226 -12.267 1.00 2.20 C ATOM 1627 C LEU B 5 -1.589 13.064 -12.471 1.00 1.69 C ATOM 1628 O LEU B 5 -1.378 12.227 -13.324 1.00 2.01 O ATOM 1629 CB LEU B 5 0.758 13.837 -12.817 1.00 3.01 C ATOM 1630 CG LEU B 5 1.490 15.092 -13.295 1.00 3.80 C ATOM 1631 CD1 LEU B 5 2.928 15.075 -12.774 1.00 4.44 C ATOM 1632 CD2 LEU B 5 1.504 15.120 -14.825 1.00 4.06 C ATOM 0 H LEU B 5 -0.433 15.540 -10.594 1.00 1.68 H new ATOM 0 HA LEU B 5 -0.992 15.103 -12.794 1.00 2.20 H new ATOM 0 HB2 LEU B 5 1.341 13.334 -12.045 1.00 3.01 H new ATOM 0 HB3 LEU B 5 0.646 13.133 -13.641 1.00 3.01 H new ATOM 0 HG LEU B 5 0.978 15.977 -12.918 1.00 3.80 H new ATOM 0 HD11 LEU B 5 3.449 15.970 -13.115 1.00 4.44 H new ATOM 0 HD12 LEU B 5 2.920 15.053 -11.684 1.00 4.44 H new ATOM 0 HD13 LEU B 5 3.441 14.190 -13.151 1.00 4.44 H new ATOM 0 HD21 LEU B 5 2.025 16.014 -15.168 1.00 4.06 H new ATOM 0 HD22 LEU B 5 2.017 14.234 -15.200 1.00 4.06 H new ATOM 0 HD23 LEU B 5 0.480 15.132 -15.198 1.00 4.06 H new ATOM 1644 N TRP B 6 -2.648 13.031 -11.694 1.00 1.24 N ATOM 1645 CA TRP B 6 -3.680 11.942 -11.793 1.00 1.13 C ATOM 1646 C TRP B 6 -3.138 10.719 -12.540 1.00 1.16 C ATOM 1647 O TRP B 6 -3.747 10.223 -13.466 1.00 1.38 O ATOM 1648 CB TRP B 6 -4.893 12.476 -12.545 1.00 1.45 C ATOM 1649 CG TRP B 6 -5.813 13.168 -11.590 1.00 1.43 C ATOM 1650 CD1 TRP B 6 -5.421 13.881 -10.510 1.00 1.59 C ATOM 1651 CD2 TRP B 6 -7.269 13.223 -11.610 1.00 1.38 C ATOM 1652 NE1 TRP B 6 -6.542 14.372 -9.867 1.00 1.61 N ATOM 1653 CE2 TRP B 6 -7.706 13.993 -10.507 1.00 1.47 C ATOM 1654 CE3 TRP B 6 -8.243 12.685 -12.471 1.00 1.40 C ATOM 1655 CZ2 TRP B 6 -9.061 14.221 -10.265 1.00 1.53 C ATOM 1656 CZ3 TRP B 6 -9.608 12.913 -12.231 1.00 1.51 C ATOM 1657 CH2 TRP B 6 -10.016 13.679 -11.131 1.00 1.54 C ATOM 0 H TRP B 6 -2.846 13.730 -10.978 1.00 1.24 H new ATOM 0 HA TRP B 6 -3.950 11.637 -10.782 1.00 1.13 H new ATOM 0 HB2 TRP B 6 -4.574 13.168 -13.324 1.00 1.45 H new ATOM 0 HB3 TRP B 6 -5.416 11.657 -13.040 1.00 1.45 H new ATOM 0 HD1 TRP B 6 -4.399 14.041 -10.200 1.00 1.59 H new ATOM 0 HE1 TRP B 6 -6.513 14.944 -9.023 1.00 1.61 H new ATOM 0 HE3 TRP B 6 -7.939 12.093 -13.322 1.00 1.40 H new ATOM 0 HZ2 TRP B 6 -9.370 14.812 -9.415 1.00 1.53 H new ATOM 0 HZ3 TRP B 6 -10.347 12.495 -12.898 1.00 1.51 H new ATOM 0 HH2 TRP B 6 -11.067 13.851 -10.952 1.00 1.54 H new ATOM 1668 N GLN B 7 -1.997 10.235 -12.143 1.00 1.19 N ATOM 1669 CA GLN B 7 -1.407 9.049 -12.825 1.00 1.34 C ATOM 1670 C GLN B 7 -0.416 8.358 -11.883 1.00 1.19 C ATOM 1671 O GLN B 7 -0.372 8.638 -10.701 1.00 1.30 O ATOM 1672 CB GLN B 7 -0.678 9.505 -14.090 1.00 1.67 C ATOM 1673 CG GLN B 7 -1.638 9.452 -15.280 1.00 1.93 C ATOM 1674 CD GLN B 7 -0.837 9.383 -16.581 1.00 2.43 C ATOM 1675 OE1 GLN B 7 0.289 9.834 -16.640 1.00 2.85 O ATOM 1676 NE2 GLN B 7 -1.375 8.832 -17.635 1.00 3.06 N ATOM 0 H GLN B 7 -1.444 10.610 -11.372 1.00 1.19 H new ATOM 0 HA GLN B 7 -2.199 8.349 -13.092 1.00 1.34 H new ATOM 0 HB2 GLN B 7 -0.300 10.519 -13.959 1.00 1.67 H new ATOM 0 HB3 GLN B 7 0.184 8.865 -14.276 1.00 1.67 H new ATOM 0 HG2 GLN B 7 -2.290 8.583 -15.196 1.00 1.93 H new ATOM 0 HG3 GLN B 7 -2.280 10.333 -15.282 1.00 1.93 H new ATOM 0 HE21 GLN B 7 -2.321 8.453 -17.586 1.00 3.06 H new ATOM 0 HE22 GLN B 7 -0.850 8.780 -18.508 1.00 3.06 H new ATOM 1685 N ARG B 8 0.379 7.457 -12.395 1.00 1.09 N ATOM 1686 CA ARG B 8 1.362 6.752 -11.525 1.00 0.96 C ATOM 1687 C ARG B 8 2.507 7.709 -11.165 1.00 0.85 C ATOM 1688 O ARG B 8 3.186 8.208 -12.040 1.00 0.93 O ATOM 1689 CB ARG B 8 1.934 5.546 -12.276 1.00 1.04 C ATOM 1690 CG ARG B 8 0.788 4.725 -12.872 1.00 1.32 C ATOM 1691 CD ARG B 8 1.343 3.757 -13.918 1.00 1.48 C ATOM 1692 NE ARG B 8 0.622 3.951 -15.207 1.00 1.77 N ATOM 1693 CZ ARG B 8 0.851 3.148 -16.210 1.00 2.20 C ATOM 1694 NH1 ARG B 8 2.077 2.835 -16.529 1.00 2.76 N ATOM 1695 NH2 ARG B 8 -0.146 2.658 -16.895 1.00 2.72 N ATOM 0 H ARG B 8 0.390 7.180 -13.376 1.00 1.09 H new ATOM 0 HA ARG B 8 0.864 6.417 -10.615 1.00 0.96 H new ATOM 0 HB2 ARG B 8 2.605 5.881 -13.067 1.00 1.04 H new ATOM 0 HB3 ARG B 8 2.524 4.929 -11.598 1.00 1.04 H new ATOM 0 HG2 ARG B 8 0.275 4.172 -12.085 1.00 1.32 H new ATOM 0 HG3 ARG B 8 0.052 5.387 -13.328 1.00 1.32 H new ATOM 0 HD2 ARG B 8 2.411 3.928 -14.057 1.00 1.48 H new ATOM 0 HD3 ARG B 8 1.227 2.729 -13.575 1.00 1.48 H new ATOM 0 HE ARG B 8 -0.051 4.711 -15.306 1.00 1.77 H new ATOM 0 HH11 ARG B 8 2.857 3.218 -15.994 1.00 2.76 H new ATOM 0 HH12 ARG B 8 2.256 2.207 -17.313 1.00 2.76 H new ATOM 0 HH21 ARG B 8 -1.105 2.903 -16.647 1.00 2.72 H new ATOM 0 HH22 ARG B 8 0.033 2.030 -17.679 1.00 2.72 H new ATOM 1709 N PRO B 9 2.695 7.934 -9.887 1.00 0.76 N ATOM 1710 CA PRO B 9 3.760 8.823 -9.391 1.00 0.74 C ATOM 1711 C PRO B 9 5.112 8.105 -9.435 1.00 0.66 C ATOM 1712 O PRO B 9 5.655 7.719 -8.419 1.00 0.64 O ATOM 1713 CB PRO B 9 3.339 9.119 -7.948 1.00 0.78 C ATOM 1714 CG PRO B 9 2.397 7.968 -7.523 1.00 0.77 C ATOM 1715 CD PRO B 9 1.871 7.328 -8.821 1.00 0.77 C ATOM 0 HA PRO B 9 3.878 9.729 -9.985 1.00 0.74 H new ATOM 0 HB2 PRO B 9 4.208 9.171 -7.293 1.00 0.78 H new ATOM 0 HB3 PRO B 9 2.831 10.081 -7.881 1.00 0.78 H new ATOM 0 HG2 PRO B 9 2.930 7.235 -6.918 1.00 0.77 H new ATOM 0 HG3 PRO B 9 1.574 8.345 -6.916 1.00 0.77 H new ATOM 0 HD2 PRO B 9 1.980 6.244 -8.802 1.00 0.77 H new ATOM 0 HD3 PRO B 9 0.812 7.540 -8.968 1.00 0.77 H new ATOM 1723 N LEU B 10 5.656 7.918 -10.606 1.00 0.67 N ATOM 1724 CA LEU B 10 6.967 7.219 -10.717 1.00 0.65 C ATOM 1725 C LEU B 10 8.103 8.200 -10.415 1.00 0.69 C ATOM 1726 O LEU B 10 7.967 9.395 -10.588 1.00 0.82 O ATOM 1727 CB LEU B 10 7.133 6.669 -12.135 1.00 0.72 C ATOM 1728 CG LEU B 10 6.841 5.168 -12.136 1.00 0.72 C ATOM 1729 CD1 LEU B 10 5.672 4.873 -13.077 1.00 0.92 C ATOM 1730 CD2 LEU B 10 8.075 4.408 -12.617 1.00 0.83 C ATOM 0 H LEU B 10 5.249 8.219 -11.491 1.00 0.67 H new ATOM 0 HA LEU B 10 6.999 6.398 -10.001 1.00 0.65 H new ATOM 0 HB2 LEU B 10 6.456 7.183 -12.818 1.00 0.72 H new ATOM 0 HB3 LEU B 10 8.146 6.854 -12.492 1.00 0.72 H new ATOM 0 HG LEU B 10 6.586 4.851 -11.125 1.00 0.72 H new ATOM 0 HD11 LEU B 10 5.466 3.803 -13.076 1.00 0.92 H new ATOM 0 HD12 LEU B 10 4.788 5.413 -12.739 1.00 0.92 H new ATOM 0 HD13 LEU B 10 5.929 5.192 -14.087 1.00 0.92 H new ATOM 0 HD21 LEU B 10 7.866 3.338 -12.617 1.00 0.83 H new ATOM 0 HD22 LEU B 10 8.329 4.729 -13.627 1.00 0.83 H new ATOM 0 HD23 LEU B 10 8.912 4.614 -11.950 1.00 0.83 H new ATOM 1742 N VAL B 11 9.224 7.701 -9.968 1.00 0.63 N ATOM 1743 CA VAL B 11 10.371 8.601 -9.659 1.00 0.70 C ATOM 1744 C VAL B 11 11.681 7.903 -10.033 1.00 0.69 C ATOM 1745 O VAL B 11 11.913 6.766 -9.672 1.00 0.69 O ATOM 1746 CB VAL B 11 10.379 8.934 -8.160 1.00 0.70 C ATOM 1747 CG1 VAL B 11 8.955 9.225 -7.687 1.00 0.66 C ATOM 1748 CG2 VAL B 11 10.934 7.748 -7.365 1.00 0.82 C ATOM 0 H VAL B 11 9.395 6.709 -9.804 1.00 0.63 H new ATOM 0 HA VAL B 11 10.271 9.523 -10.232 1.00 0.70 H new ATOM 0 HB VAL B 11 11.007 9.810 -7.998 1.00 0.70 H new ATOM 0 HG11 VAL B 11 8.966 9.461 -6.623 1.00 0.66 H new ATOM 0 HG12 VAL B 11 8.553 10.073 -8.242 1.00 0.66 H new ATOM 0 HG13 VAL B 11 8.329 8.349 -7.858 1.00 0.66 H new ATOM 0 HG21 VAL B 11 10.937 7.991 -6.303 1.00 0.82 H new ATOM 0 HG22 VAL B 11 10.309 6.872 -7.535 1.00 0.82 H new ATOM 0 HG23 VAL B 11 11.952 7.536 -7.691 1.00 0.82 H new ATOM 1758 N THR B 12 12.546 8.575 -10.741 1.00 0.79 N ATOM 1759 CA THR B 12 13.842 7.942 -11.115 1.00 0.84 C ATOM 1760 C THR B 12 14.686 7.780 -9.851 1.00 0.77 C ATOM 1761 O THR B 12 15.176 8.743 -9.295 1.00 0.85 O ATOM 1762 CB THR B 12 14.582 8.833 -12.117 1.00 1.01 C ATOM 1763 OG1 THR B 12 13.638 9.494 -12.947 1.00 1.11 O ATOM 1764 CG2 THR B 12 15.509 7.974 -12.979 1.00 1.17 C ATOM 0 H THR B 12 12.413 9.529 -11.075 1.00 0.79 H new ATOM 0 HA THR B 12 13.663 6.969 -11.573 1.00 0.84 H new ATOM 0 HB THR B 12 15.174 9.573 -11.578 1.00 1.01 H new ATOM 0 HG1 THR B 12 14.110 10.066 -13.588 1.00 1.11 H new ATOM 0 HG21 THR B 12 16.035 8.609 -13.692 1.00 1.17 H new ATOM 0 HG22 THR B 12 16.233 7.467 -12.341 1.00 1.17 H new ATOM 0 HG23 THR B 12 14.920 7.233 -13.519 1.00 1.17 H new ATOM 1772 N ILE B 13 14.845 6.575 -9.377 1.00 0.68 N ATOM 1773 CA ILE B 13 15.640 6.369 -8.135 1.00 0.61 C ATOM 1774 C ILE B 13 17.081 5.995 -8.475 1.00 0.67 C ATOM 1775 O ILE B 13 17.359 5.403 -9.499 1.00 0.74 O ATOM 1776 CB ILE B 13 15.020 5.242 -7.312 1.00 0.51 C ATOM 1777 CG1 ILE B 13 14.954 3.969 -8.160 1.00 0.56 C ATOM 1778 CG2 ILE B 13 13.612 5.638 -6.879 1.00 0.48 C ATOM 1779 CD1 ILE B 13 15.129 2.747 -7.257 1.00 0.77 C ATOM 0 H ILE B 13 14.460 5.728 -9.794 1.00 0.68 H new ATOM 0 HA ILE B 13 15.636 7.298 -7.565 1.00 0.61 H new ATOM 0 HB ILE B 13 15.632 5.061 -6.428 1.00 0.51 H new ATOM 0 HG12 ILE B 13 13.998 3.916 -8.682 1.00 0.56 H new ATOM 0 HG13 ILE B 13 15.733 3.986 -8.922 1.00 0.56 H new ATOM 0 HG21 ILE B 13 13.172 4.832 -6.292 1.00 0.48 H new ATOM 0 HG22 ILE B 13 13.658 6.544 -6.274 1.00 0.48 H new ATOM 0 HG23 ILE B 13 12.998 5.822 -7.761 1.00 0.48 H new ATOM 0 HD11 ILE B 13 15.082 1.840 -7.859 1.00 0.77 H new ATOM 0 HD12 ILE B 13 16.095 2.800 -6.756 1.00 0.77 H new ATOM 0 HD13 ILE B 13 14.334 2.729 -6.511 1.00 0.77 H new ATOM 1791 N LYS B 14 17.997 6.323 -7.605 1.00 0.70 N ATOM 1792 CA LYS B 14 19.424 5.977 -7.847 1.00 0.76 C ATOM 1793 C LYS B 14 19.886 5.021 -6.745 1.00 0.71 C ATOM 1794 O LYS B 14 20.305 5.440 -5.684 1.00 0.71 O ATOM 1795 CB LYS B 14 20.276 7.248 -7.815 1.00 0.87 C ATOM 1796 CG LYS B 14 21.312 7.196 -8.939 1.00 1.04 C ATOM 1797 CD LYS B 14 22.209 8.432 -8.866 1.00 1.22 C ATOM 1798 CE LYS B 14 22.597 8.864 -10.282 1.00 1.39 C ATOM 1799 NZ LYS B 14 24.042 9.226 -10.313 1.00 1.83 N ATOM 0 H LYS B 14 17.816 6.819 -6.732 1.00 0.70 H new ATOM 0 HA LYS B 14 19.532 5.504 -8.823 1.00 0.76 H new ATOM 0 HB2 LYS B 14 19.642 8.127 -7.931 1.00 0.87 H new ATOM 0 HB3 LYS B 14 20.775 7.340 -6.850 1.00 0.87 H new ATOM 0 HG2 LYS B 14 21.914 6.292 -8.851 1.00 1.04 H new ATOM 0 HG3 LYS B 14 20.812 7.153 -9.907 1.00 1.04 H new ATOM 0 HD2 LYS B 14 21.688 9.243 -8.357 1.00 1.22 H new ATOM 0 HD3 LYS B 14 23.103 8.212 -8.283 1.00 1.22 H new ATOM 0 HE2 LYS B 14 22.398 8.057 -10.987 1.00 1.39 H new ATOM 0 HE3 LYS B 14 21.991 9.715 -10.593 1.00 1.39 H new ATOM 0 HZ1 LYS B 14 24.306 9.520 -11.275 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 24.218 10.009 -9.652 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 24.612 8.402 -10.034 1.00 1.83 H new ATOM 1813 N ILE B 15 19.792 3.738 -6.975 1.00 0.71 N ATOM 1814 CA ILE B 15 20.199 2.764 -5.933 1.00 0.70 C ATOM 1815 C ILE B 15 21.483 2.041 -6.348 1.00 0.78 C ATOM 1816 O ILE B 15 21.538 1.387 -7.370 1.00 0.87 O ATOM 1817 CB ILE B 15 19.082 1.749 -5.758 1.00 0.71 C ATOM 1818 CG1 ILE B 15 17.795 2.468 -5.346 1.00 0.70 C ATOM 1819 CG2 ILE B 15 19.469 0.753 -4.680 1.00 0.81 C ATOM 1820 CD1 ILE B 15 16.758 1.439 -4.890 1.00 0.80 C ATOM 0 H ILE B 15 19.450 3.326 -7.843 1.00 0.71 H new ATOM 0 HA ILE B 15 20.385 3.291 -4.997 1.00 0.70 H new ATOM 0 HB ILE B 15 18.919 1.224 -6.699 1.00 0.71 H new ATOM 0 HG12 ILE B 15 18.002 3.173 -4.541 1.00 0.70 H new ATOM 0 HG13 ILE B 15 17.405 3.046 -6.184 1.00 0.70 H new ATOM 0 HG21 ILE B 15 18.668 0.024 -4.554 1.00 0.81 H new ATOM 0 HG22 ILE B 15 20.385 0.239 -4.971 1.00 0.81 H new ATOM 0 HG23 ILE B 15 19.632 1.280 -3.740 1.00 0.81 H new ATOM 0 HD11 ILE B 15 15.842 1.951 -4.597 1.00 0.80 H new ATOM 0 HD12 ILE B 15 16.543 0.752 -5.708 1.00 0.80 H new ATOM 0 HD13 ILE B 15 17.149 0.880 -4.040 1.00 0.80 H new ATOM 1832 N GLY B 16 22.514 2.144 -5.553 1.00 0.80 N ATOM 1833 CA GLY B 16 23.794 1.455 -5.889 1.00 0.90 C ATOM 1834 C GLY B 16 24.300 1.928 -7.253 1.00 1.02 C ATOM 1835 O GLY B 16 24.576 1.135 -8.131 1.00 1.67 O ATOM 0 H GLY B 16 22.525 2.677 -4.683 1.00 0.80 H new ATOM 0 HA2 GLY B 16 24.541 1.663 -5.123 1.00 0.90 H new ATOM 0 HA3 GLY B 16 23.643 0.376 -5.902 1.00 0.90 H new ATOM 1839 N GLY B 17 24.428 3.213 -7.437 1.00 1.05 N ATOM 1840 CA GLY B 17 24.922 3.732 -8.743 1.00 1.10 C ATOM 1841 C GLY B 17 24.015 3.237 -9.873 1.00 1.10 C ATOM 1842 O GLY B 17 24.369 3.293 -11.034 1.00 1.31 O ATOM 0 H GLY B 17 24.212 3.926 -6.740 1.00 1.05 H new ATOM 0 HA2 GLY B 17 24.939 4.822 -8.729 1.00 1.10 H new ATOM 0 HA3 GLY B 17 25.946 3.399 -8.913 1.00 1.10 H new ATOM 1846 N GLN B 18 22.847 2.759 -9.544 1.00 0.98 N ATOM 1847 CA GLN B 18 21.919 2.268 -10.602 1.00 1.03 C ATOM 1848 C GLN B 18 20.758 3.250 -10.739 1.00 0.97 C ATOM 1849 O GLN B 18 20.605 4.153 -9.943 1.00 0.97 O ATOM 1850 CB GLN B 18 21.385 0.887 -10.216 1.00 1.06 C ATOM 1851 CG GLN B 18 22.559 -0.077 -10.027 1.00 1.37 C ATOM 1852 CD GLN B 18 22.776 -0.876 -11.314 1.00 1.61 C ATOM 1853 OE1 GLN B 18 21.954 -0.845 -12.208 1.00 2.38 O ATOM 1854 NE2 GLN B 18 23.856 -1.597 -11.445 1.00 2.05 N ATOM 0 H GLN B 18 22.495 2.687 -8.589 1.00 0.98 H new ATOM 0 HA GLN B 18 22.449 2.192 -11.551 1.00 1.03 H new ATOM 0 HB2 GLN B 18 20.803 0.954 -9.297 1.00 1.06 H new ATOM 0 HB3 GLN B 18 20.715 0.514 -10.991 1.00 1.06 H new ATOM 0 HG2 GLN B 18 23.462 0.478 -9.775 1.00 1.37 H new ATOM 0 HG3 GLN B 18 22.358 -0.753 -9.196 1.00 1.37 H new ATOM 0 HE21 GLN B 18 24.546 -1.623 -10.694 1.00 2.05 H new ATOM 0 HE22 GLN B 18 24.010 -2.135 -12.298 1.00 2.05 H new ATOM 1863 N LEU B 19 19.938 3.088 -11.740 1.00 0.99 N ATOM 1864 CA LEU B 19 18.792 4.026 -11.918 1.00 0.96 C ATOM 1865 C LEU B 19 17.642 3.314 -12.627 1.00 0.97 C ATOM 1866 O LEU B 19 17.812 2.718 -13.672 1.00 1.11 O ATOM 1867 CB LEU B 19 19.233 5.224 -12.758 1.00 1.08 C ATOM 1868 CG LEU B 19 19.834 6.298 -11.851 1.00 1.06 C ATOM 1869 CD1 LEU B 19 20.529 7.359 -12.706 1.00 1.32 C ATOM 1870 CD2 LEU B 19 18.719 6.956 -11.035 1.00 1.17 C ATOM 0 H LEU B 19 20.010 2.350 -12.440 1.00 0.99 H new ATOM 0 HA LEU B 19 18.459 4.367 -10.938 1.00 0.96 H new ATOM 0 HB2 LEU B 19 19.967 4.909 -13.500 1.00 1.08 H new ATOM 0 HB3 LEU B 19 18.382 5.630 -13.304 1.00 1.08 H new ATOM 0 HG LEU B 19 20.559 5.840 -11.178 1.00 1.06 H new ATOM 0 HD11 LEU B 19 20.957 8.124 -12.059 1.00 1.32 H new ATOM 0 HD12 LEU B 19 21.322 6.893 -13.291 1.00 1.32 H new ATOM 0 HD13 LEU B 19 19.804 7.817 -13.379 1.00 1.32 H new ATOM 0 HD21 LEU B 19 19.146 7.722 -10.388 1.00 1.17 H new ATOM 0 HD22 LEU B 19 17.995 7.413 -11.710 1.00 1.17 H new ATOM 0 HD23 LEU B 19 18.221 6.202 -10.425 1.00 1.17 H new ATOM 1882 N LYS B 20 16.471 3.381 -12.065 1.00 0.86 N ATOM 1883 CA LYS B 20 15.296 2.721 -12.696 1.00 0.88 C ATOM 1884 C LYS B 20 14.026 3.489 -12.322 1.00 0.81 C ATOM 1885 O LYS B 20 14.036 4.328 -11.444 1.00 0.77 O ATOM 1886 CB LYS B 20 15.195 1.281 -12.191 1.00 0.87 C ATOM 1887 CG LYS B 20 16.551 0.591 -12.350 1.00 1.11 C ATOM 1888 CD LYS B 20 16.405 -0.902 -12.049 1.00 1.40 C ATOM 1889 CE LYS B 20 17.745 -1.602 -12.278 1.00 1.70 C ATOM 1890 NZ LYS B 20 17.606 -2.594 -13.382 1.00 2.70 N ATOM 0 H LYS B 20 16.275 3.867 -11.190 1.00 0.86 H new ATOM 0 HA LYS B 20 15.411 2.717 -13.780 1.00 0.88 H new ATOM 0 HB2 LYS B 20 14.890 1.271 -11.145 1.00 0.87 H new ATOM 0 HB3 LYS B 20 14.432 0.740 -12.750 1.00 0.87 H new ATOM 0 HG2 LYS B 20 16.926 0.733 -13.364 1.00 1.11 H new ATOM 0 HG3 LYS B 20 17.280 1.039 -11.675 1.00 1.11 H new ATOM 0 HD2 LYS B 20 16.079 -1.046 -11.019 1.00 1.40 H new ATOM 0 HD3 LYS B 20 15.640 -1.340 -12.690 1.00 1.40 H new ATOM 0 HE2 LYS B 20 18.512 -0.869 -12.528 1.00 1.70 H new ATOM 0 HE3 LYS B 20 18.067 -2.102 -11.364 1.00 1.70 H new ATOM 0 HZ1 LYS B 20 18.517 -3.070 -13.538 1.00 2.70 H new ATOM 0 HZ2 LYS B 20 16.886 -3.300 -13.126 1.00 2.70 H new ATOM 0 HZ3 LYS B 20 17.317 -2.105 -14.253 1.00 2.70 H new ATOM 1904 N GLU B 21 12.930 3.208 -12.974 1.00 0.87 N ATOM 1905 CA GLU B 21 11.667 3.926 -12.639 1.00 0.82 C ATOM 1906 C GLU B 21 11.060 3.298 -11.384 1.00 0.70 C ATOM 1907 O GLU B 21 10.902 2.097 -11.297 1.00 1.07 O ATOM 1908 CB GLU B 21 10.675 3.806 -13.799 1.00 1.00 C ATOM 1909 CG GLU B 21 11.435 3.681 -15.121 1.00 1.47 C ATOM 1910 CD GLU B 21 10.517 4.079 -16.277 1.00 2.17 C ATOM 1911 OE1 GLU B 21 9.369 3.667 -16.266 1.00 2.74 O ATOM 1912 OE2 GLU B 21 10.978 4.790 -17.155 1.00 2.82 O ATOM 0 H GLU B 21 12.855 2.516 -13.720 1.00 0.87 H new ATOM 0 HA GLU B 21 11.882 4.980 -12.464 1.00 0.82 H new ATOM 0 HB2 GLU B 21 10.035 2.936 -13.653 1.00 1.00 H new ATOM 0 HB3 GLU B 21 10.024 4.680 -13.825 1.00 1.00 H new ATOM 0 HG2 GLU B 21 12.318 4.320 -15.107 1.00 1.47 H new ATOM 0 HG3 GLU B 21 11.785 2.658 -15.256 1.00 1.47 H new ATOM 1919 N ALA B 22 10.723 4.097 -10.409 1.00 0.58 N ATOM 1920 CA ALA B 22 10.134 3.538 -9.159 1.00 0.45 C ATOM 1921 C ALA B 22 8.661 3.915 -9.065 1.00 0.48 C ATOM 1922 O ALA B 22 8.305 5.075 -9.057 1.00 0.72 O ATOM 1923 CB ALA B 22 10.873 4.105 -7.951 1.00 0.48 C ATOM 0 H ALA B 22 10.830 5.111 -10.424 1.00 0.58 H new ATOM 0 HA ALA B 22 10.229 2.452 -9.175 1.00 0.45 H new ATOM 0 HB1 ALA B 22 10.443 3.697 -7.037 1.00 0.48 H new ATOM 0 HB2 ALA B 22 11.927 3.833 -8.009 1.00 0.48 H new ATOM 0 HB3 ALA B 22 10.778 5.191 -7.943 1.00 0.48 H new ATOM 1929 N LEU B 23 7.801 2.943 -8.980 1.00 0.40 N ATOM 1930 CA LEU B 23 6.355 3.246 -8.871 1.00 0.42 C ATOM 1931 C LEU B 23 6.043 3.622 -7.425 1.00 0.37 C ATOM 1932 O LEU B 23 5.889 2.765 -6.577 1.00 0.35 O ATOM 1933 CB LEU B 23 5.553 2.006 -9.269 1.00 0.45 C ATOM 1934 CG LEU B 23 4.080 2.205 -8.912 1.00 0.51 C ATOM 1935 CD1 LEU B 23 3.458 3.234 -9.858 1.00 0.73 C ATOM 1936 CD2 LEU B 23 3.343 0.871 -9.055 1.00 0.66 C ATOM 0 H LEU B 23 8.039 1.951 -8.981 1.00 0.40 H new ATOM 0 HA LEU B 23 6.089 4.072 -9.530 1.00 0.42 H new ATOM 0 HB2 LEU B 23 5.656 1.823 -10.339 1.00 0.45 H new ATOM 0 HB3 LEU B 23 5.945 1.128 -8.756 1.00 0.45 H new ATOM 0 HG LEU B 23 3.998 2.562 -7.886 1.00 0.51 H new ATOM 0 HD11 LEU B 23 2.408 3.375 -9.603 1.00 0.73 H new ATOM 0 HD12 LEU B 23 3.986 4.183 -9.761 1.00 0.73 H new ATOM 0 HD13 LEU B 23 3.537 2.878 -10.885 1.00 0.73 H new ATOM 0 HD21 LEU B 23 2.292 1.007 -8.801 1.00 0.66 H new ATOM 0 HD22 LEU B 23 3.426 0.518 -10.083 1.00 0.66 H new ATOM 0 HD23 LEU B 23 3.786 0.137 -8.382 1.00 0.66 H new ATOM 1948 N LEU B 24 5.956 4.895 -7.132 1.00 0.39 N ATOM 1949 CA LEU B 24 5.653 5.314 -5.735 1.00 0.40 C ATOM 1950 C LEU B 24 4.515 4.442 -5.214 1.00 0.40 C ATOM 1951 O LEU B 24 3.355 4.696 -5.471 1.00 0.52 O ATOM 1952 CB LEU B 24 5.232 6.784 -5.717 1.00 0.49 C ATOM 1953 CG LEU B 24 6.467 7.666 -5.528 1.00 0.54 C ATOM 1954 CD1 LEU B 24 6.122 9.113 -5.884 1.00 0.71 C ATOM 1955 CD2 LEU B 24 6.926 7.596 -4.070 1.00 0.83 C ATOM 0 H LEU B 24 6.081 5.657 -7.798 1.00 0.39 H new ATOM 0 HA LEU B 24 6.535 5.197 -5.105 1.00 0.40 H new ATOM 0 HB2 LEU B 24 4.728 7.040 -6.649 1.00 0.49 H new ATOM 0 HB3 LEU B 24 4.520 6.960 -4.911 1.00 0.49 H new ATOM 0 HG LEU B 24 7.267 7.313 -6.179 1.00 0.54 H new ATOM 0 HD11 LEU B 24 7.003 9.741 -5.749 1.00 0.71 H new ATOM 0 HD12 LEU B 24 5.796 9.164 -6.923 1.00 0.71 H new ATOM 0 HD13 LEU B 24 5.321 9.467 -5.234 1.00 0.71 H new ATOM 0 HD21 LEU B 24 7.806 8.225 -3.935 1.00 0.83 H new ATOM 0 HD22 LEU B 24 6.126 7.948 -3.419 1.00 0.83 H new ATOM 0 HD23 LEU B 24 7.174 6.565 -3.816 1.00 0.83 H new ATOM 1967 N ASP B 25 4.841 3.394 -4.515 1.00 0.36 N ATOM 1968 CA ASP B 25 3.784 2.481 -4.014 1.00 0.39 C ATOM 1969 C ASP B 25 3.589 2.656 -2.513 1.00 0.38 C ATOM 1970 O ASP B 25 4.101 1.891 -1.720 1.00 0.42 O ATOM 1971 CB ASP B 25 4.202 1.041 -4.294 1.00 0.43 C ATOM 1972 CG ASP B 25 2.970 0.138 -4.296 1.00 0.49 C ATOM 1973 OD1 ASP B 25 1.905 0.619 -3.946 1.00 1.25 O ATOM 1974 OD2 ASP B 25 3.114 -1.019 -4.649 1.00 1.14 O ATOM 0 H ASP B 25 5.795 3.131 -4.269 1.00 0.36 H new ATOM 0 HA ASP B 25 2.847 2.714 -4.520 1.00 0.39 H new ATOM 0 HB2 ASP B 25 4.711 0.980 -5.256 1.00 0.43 H new ATOM 0 HB3 ASP B 25 4.910 0.704 -3.537 1.00 0.43 H new ATOM 1979 N THR B 26 2.827 3.630 -2.112 1.00 0.40 N ATOM 1980 CA THR B 26 2.582 3.808 -0.661 1.00 0.42 C ATOM 1981 C THR B 26 1.822 2.582 -0.153 1.00 0.44 C ATOM 1982 O THR B 26 1.694 2.365 1.036 1.00 0.55 O ATOM 1983 CB THR B 26 1.754 5.065 -0.427 1.00 0.49 C ATOM 1984 OG1 THR B 26 2.052 6.024 -1.432 1.00 0.47 O ATOM 1985 CG2 THR B 26 2.083 5.644 0.948 1.00 0.59 C ATOM 0 H THR B 26 2.367 4.306 -2.722 1.00 0.40 H new ATOM 0 HA THR B 26 3.527 3.912 -0.128 1.00 0.42 H new ATOM 0 HB THR B 26 0.694 4.815 -0.470 1.00 0.49 H new ATOM 0 HG1 THR B 26 1.232 6.259 -1.914 1.00 0.47 H new ATOM 0 HG21 THR B 26 1.490 6.543 1.115 1.00 0.59 H new ATOM 0 HG22 THR B 26 1.851 4.908 1.718 1.00 0.59 H new ATOM 0 HG23 THR B 26 3.143 5.894 0.993 1.00 0.59 H new ATOM 1993 N GLY B 27 1.318 1.773 -1.053 1.00 0.42 N ATOM 1994 CA GLY B 27 0.571 0.557 -0.631 1.00 0.44 C ATOM 1995 C GLY B 27 1.535 -0.437 0.025 1.00 0.42 C ATOM 1996 O GLY B 27 1.244 -1.011 1.056 1.00 0.49 O ATOM 0 H GLY B 27 1.394 1.906 -2.061 1.00 0.42 H new ATOM 0 HA2 GLY B 27 -0.219 0.828 0.069 1.00 0.44 H new ATOM 0 HA3 GLY B 27 0.089 0.096 -1.493 1.00 0.44 H new ATOM 2000 N ALA B 28 2.680 -0.648 -0.569 1.00 0.40 N ATOM 2001 CA ALA B 28 3.663 -1.608 0.016 1.00 0.40 C ATOM 2002 C ALA B 28 4.220 -1.041 1.325 1.00 0.42 C ATOM 2003 O ALA B 28 4.092 0.133 1.608 1.00 0.50 O ATOM 2004 CB ALA B 28 4.809 -1.830 -0.972 1.00 0.36 C ATOM 0 H ALA B 28 2.977 -0.197 -1.434 1.00 0.40 H new ATOM 0 HA ALA B 28 3.166 -2.557 0.216 1.00 0.40 H new ATOM 0 HB1 ALA B 28 5.527 -2.531 -0.545 1.00 0.36 H new ATOM 0 HB2 ALA B 28 4.413 -2.237 -1.902 1.00 0.36 H new ATOM 0 HB3 ALA B 28 5.305 -0.880 -1.173 1.00 0.36 H new ATOM 2010 N ASP B 29 4.836 -1.869 2.125 1.00 0.50 N ATOM 2011 CA ASP B 29 5.401 -1.380 3.415 1.00 0.59 C ATOM 2012 C ASP B 29 6.906 -1.148 3.261 1.00 0.53 C ATOM 2013 O ASP B 29 7.534 -0.520 4.089 1.00 0.58 O ATOM 2014 CB ASP B 29 5.156 -2.423 4.507 1.00 0.74 C ATOM 2015 CG ASP B 29 3.653 -2.548 4.767 1.00 0.97 C ATOM 2016 OD1 ASP B 29 2.956 -3.014 3.881 1.00 1.55 O ATOM 2017 OD2 ASP B 29 3.226 -2.175 5.846 1.00 1.50 O ATOM 0 H ASP B 29 4.972 -2.863 1.941 1.00 0.50 H new ATOM 0 HA ASP B 29 4.916 -0.443 3.690 1.00 0.59 H new ATOM 0 HB2 ASP B 29 5.564 -3.387 4.202 1.00 0.74 H new ATOM 0 HB3 ASP B 29 5.671 -2.134 5.423 1.00 0.74 H new ATOM 2022 N ASP B 30 7.488 -1.650 2.206 1.00 0.45 N ATOM 2023 CA ASP B 30 8.951 -1.456 1.998 1.00 0.43 C ATOM 2024 C ASP B 30 9.205 -1.068 0.540 1.00 0.34 C ATOM 2025 O ASP B 30 8.281 -0.877 -0.225 1.00 0.33 O ATOM 2026 CB ASP B 30 9.687 -2.751 2.325 1.00 0.49 C ATOM 2027 CG ASP B 30 10.674 -2.505 3.468 1.00 0.67 C ATOM 2028 OD1 ASP B 30 11.438 -1.558 3.371 1.00 1.39 O ATOM 2029 OD2 ASP B 30 10.649 -3.267 4.420 1.00 1.14 O ATOM 0 H ASP B 30 7.014 -2.186 1.479 1.00 0.45 H new ATOM 0 HA ASP B 30 9.315 -0.663 2.652 1.00 0.43 H new ATOM 0 HB2 ASP B 30 8.974 -3.525 2.607 1.00 0.49 H new ATOM 0 HB3 ASP B 30 10.218 -3.112 1.444 1.00 0.49 H new ATOM 2034 N THR B 31 10.445 -0.939 0.143 1.00 0.33 N ATOM 2035 CA THR B 31 10.726 -0.548 -1.268 1.00 0.27 C ATOM 2036 C THR B 31 11.238 -1.749 -2.056 1.00 0.25 C ATOM 2037 O THR B 31 12.424 -2.003 -2.118 1.00 0.31 O ATOM 2038 CB THR B 31 11.780 0.562 -1.296 1.00 0.31 C ATOM 2039 OG1 THR B 31 11.292 1.693 -0.589 1.00 0.39 O ATOM 2040 CG2 THR B 31 12.079 0.952 -2.744 1.00 0.31 C ATOM 0 H THR B 31 11.267 -1.086 0.729 1.00 0.33 H new ATOM 0 HA THR B 31 9.803 -0.189 -1.723 1.00 0.27 H new ATOM 0 HB THR B 31 12.696 0.205 -0.824 1.00 0.31 H new ATOM 0 HG1 THR B 31 10.545 1.423 -0.015 1.00 0.39 H new ATOM 0 HG21 THR B 31 12.830 1.742 -2.760 1.00 0.31 H new ATOM 0 HG22 THR B 31 12.455 0.083 -3.285 1.00 0.31 H new ATOM 0 HG23 THR B 31 11.166 1.309 -3.221 1.00 0.31 H new ATOM 2048 N VAL B 32 10.356 -2.480 -2.681 1.00 0.24 N ATOM 2049 CA VAL B 32 10.807 -3.648 -3.482 1.00 0.28 C ATOM 2050 C VAL B 32 11.485 -3.111 -4.748 1.00 0.32 C ATOM 2051 O VAL B 32 11.397 -1.940 -5.050 1.00 0.53 O ATOM 2052 CB VAL B 32 9.595 -4.550 -3.806 1.00 0.36 C ATOM 2053 CG1 VAL B 32 9.352 -4.646 -5.315 1.00 0.47 C ATOM 2054 CG2 VAL B 32 9.861 -5.953 -3.258 1.00 0.47 C ATOM 0 H VAL B 32 9.349 -2.319 -2.671 1.00 0.24 H new ATOM 0 HA VAL B 32 11.522 -4.260 -2.932 1.00 0.28 H new ATOM 0 HB VAL B 32 8.710 -4.112 -3.344 1.00 0.36 H new ATOM 0 HG11 VAL B 32 8.492 -5.288 -5.505 1.00 0.47 H new ATOM 0 HG12 VAL B 32 9.158 -3.651 -5.716 1.00 0.47 H new ATOM 0 HG13 VAL B 32 10.233 -5.067 -5.799 1.00 0.47 H new ATOM 0 HG21 VAL B 32 9.011 -6.598 -3.481 1.00 0.47 H new ATOM 0 HG22 VAL B 32 10.758 -6.361 -3.723 1.00 0.47 H new ATOM 0 HG23 VAL B 32 10.003 -5.901 -2.179 1.00 0.47 H new ATOM 2064 N LEU B 33 12.166 -3.943 -5.483 1.00 0.39 N ATOM 2065 CA LEU B 33 12.850 -3.447 -6.705 1.00 0.43 C ATOM 2066 C LEU B 33 13.287 -4.621 -7.576 1.00 0.52 C ATOM 2067 O LEU B 33 13.958 -5.526 -7.122 1.00 0.60 O ATOM 2068 CB LEU B 33 14.082 -2.635 -6.294 1.00 0.42 C ATOM 2069 CG LEU B 33 13.794 -1.145 -6.498 1.00 0.44 C ATOM 2070 CD1 LEU B 33 13.478 -0.485 -5.155 1.00 0.40 C ATOM 2071 CD2 LEU B 33 15.018 -0.466 -7.113 1.00 0.52 C ATOM 0 H LEU B 33 12.278 -4.939 -5.291 1.00 0.39 H new ATOM 0 HA LEU B 33 12.162 -2.821 -7.273 1.00 0.43 H new ATOM 0 HB2 LEU B 33 14.330 -2.830 -5.251 1.00 0.42 H new ATOM 0 HB3 LEU B 33 14.945 -2.935 -6.888 1.00 0.42 H new ATOM 0 HG LEU B 33 12.938 -1.038 -7.165 1.00 0.44 H new ATOM 0 HD11 LEU B 33 13.274 0.575 -5.309 1.00 0.40 H new ATOM 0 HD12 LEU B 33 12.604 -0.962 -4.712 1.00 0.40 H new ATOM 0 HD13 LEU B 33 14.331 -0.597 -4.485 1.00 0.40 H new ATOM 0 HD21 LEU B 33 14.812 0.594 -7.258 1.00 0.52 H new ATOM 0 HD22 LEU B 33 15.872 -0.582 -6.446 1.00 0.52 H new ATOM 0 HD23 LEU B 33 15.244 -0.926 -8.075 1.00 0.52 H new ATOM 2083 N GLU B 34 12.914 -4.609 -8.829 1.00 0.54 N ATOM 2084 CA GLU B 34 13.316 -5.722 -9.735 1.00 0.64 C ATOM 2085 C GLU B 34 14.779 -6.079 -9.468 1.00 0.71 C ATOM 2086 O GLU B 34 15.541 -5.277 -8.965 1.00 0.72 O ATOM 2087 CB GLU B 34 13.155 -5.281 -11.191 1.00 0.73 C ATOM 2088 CG GLU B 34 13.636 -6.397 -12.119 1.00 1.42 C ATOM 2089 CD GLU B 34 13.535 -5.931 -13.572 1.00 1.68 C ATOM 2090 OE1 GLU B 34 13.092 -4.815 -13.787 1.00 2.16 O ATOM 2091 OE2 GLU B 34 13.903 -6.698 -14.447 1.00 2.15 O ATOM 0 H GLU B 34 12.350 -3.878 -9.262 1.00 0.54 H new ATOM 0 HA GLU B 34 12.685 -6.592 -9.551 1.00 0.64 H new ATOM 0 HB2 GLU B 34 12.111 -5.047 -11.398 1.00 0.73 H new ATOM 0 HB3 GLU B 34 13.728 -4.371 -11.372 1.00 0.73 H new ATOM 0 HG2 GLU B 34 14.666 -6.663 -11.882 1.00 1.42 H new ATOM 0 HG3 GLU B 34 13.033 -7.293 -11.971 1.00 1.42 H new ATOM 2098 N GLU B 35 15.179 -7.276 -9.794 1.00 0.79 N ATOM 2099 CA GLU B 35 16.592 -7.677 -9.549 1.00 0.89 C ATOM 2100 C GLU B 35 17.533 -6.580 -10.048 1.00 0.93 C ATOM 2101 O GLU B 35 17.287 -5.945 -11.054 1.00 1.02 O ATOM 2102 CB GLU B 35 16.884 -8.979 -10.287 1.00 1.08 C ATOM 2103 CG GLU B 35 17.476 -9.999 -9.312 1.00 1.19 C ATOM 2104 CD GLU B 35 18.142 -11.130 -10.098 1.00 1.67 C ATOM 2105 OE1 GLU B 35 18.345 -10.958 -11.289 1.00 2.18 O ATOM 2106 OE2 GLU B 35 18.439 -12.148 -9.496 1.00 2.24 O ATOM 0 H GLU B 35 14.590 -7.993 -10.219 1.00 0.79 H new ATOM 0 HA GLU B 35 16.748 -7.823 -8.480 1.00 0.89 H new ATOM 0 HB2 GLU B 35 15.968 -9.372 -10.729 1.00 1.08 H new ATOM 0 HB3 GLU B 35 17.580 -8.797 -11.106 1.00 1.08 H new ATOM 0 HG2 GLU B 35 18.205 -9.516 -8.662 1.00 1.19 H new ATOM 0 HG3 GLU B 35 16.693 -10.401 -8.669 1.00 1.19 H new ATOM 2113 N MET B 36 18.612 -6.355 -9.349 1.00 0.95 N ATOM 2114 CA MET B 36 19.575 -5.301 -9.777 1.00 1.04 C ATOM 2115 C MET B 36 20.882 -5.454 -8.987 1.00 1.09 C ATOM 2116 O MET B 36 21.054 -6.391 -8.233 1.00 1.13 O ATOM 2117 CB MET B 36 18.952 -3.914 -9.542 1.00 0.98 C ATOM 2118 CG MET B 36 19.242 -3.424 -8.121 1.00 0.95 C ATOM 2119 SD MET B 36 20.578 -2.206 -8.177 1.00 1.62 S ATOM 2120 CE MET B 36 19.715 -0.884 -7.301 1.00 0.86 C ATOM 0 H MET B 36 18.868 -6.856 -8.499 1.00 0.95 H new ATOM 0 HA MET B 36 19.797 -5.406 -10.839 1.00 1.04 H new ATOM 0 HB2 MET B 36 19.351 -3.203 -10.266 1.00 0.98 H new ATOM 0 HB3 MET B 36 17.875 -3.962 -9.703 1.00 0.98 H new ATOM 0 HG2 MET B 36 18.346 -2.980 -7.686 1.00 0.95 H new ATOM 0 HG3 MET B 36 19.524 -4.262 -7.484 1.00 0.95 H new ATOM 0 HE1 MET B 36 20.393 -0.420 -6.585 1.00 0.86 H new ATOM 0 HE2 MET B 36 19.374 -0.135 -8.016 1.00 0.86 H new ATOM 0 HE3 MET B 36 18.856 -1.298 -6.772 1.00 0.86 H new ATOM 2130 N SER B 37 21.807 -4.549 -9.160 1.00 1.19 N ATOM 2131 CA SER B 37 23.100 -4.657 -8.424 1.00 1.26 C ATOM 2132 C SER B 37 23.069 -3.786 -7.161 1.00 1.17 C ATOM 2133 O SER B 37 23.231 -2.583 -7.220 1.00 1.24 O ATOM 2134 CB SER B 37 24.239 -4.190 -9.331 1.00 1.43 C ATOM 2135 OG SER B 37 25.478 -4.644 -8.801 1.00 1.55 O ATOM 0 H SER B 37 21.724 -3.741 -9.777 1.00 1.19 H new ATOM 0 HA SER B 37 23.256 -5.696 -8.134 1.00 1.26 H new ATOM 0 HB2 SER B 37 24.098 -4.578 -10.340 1.00 1.43 H new ATOM 0 HB3 SER B 37 24.238 -3.102 -9.404 1.00 1.43 H new ATOM 0 HG SER B 37 26.210 -4.348 -9.381 1.00 1.55 H new ATOM 2141 N LEU B 38 22.880 -4.390 -6.018 1.00 1.15 N ATOM 2142 CA LEU B 38 22.859 -3.611 -4.743 1.00 1.12 C ATOM 2143 C LEU B 38 24.251 -3.700 -4.103 1.00 1.21 C ATOM 2144 O LEU B 38 25.097 -4.430 -4.581 1.00 1.42 O ATOM 2145 CB LEU B 38 21.807 -4.218 -3.792 1.00 1.15 C ATOM 2146 CG LEU B 38 20.476 -3.420 -3.779 1.00 1.05 C ATOM 2147 CD1 LEU B 38 20.318 -2.705 -2.446 1.00 1.83 C ATOM 2148 CD2 LEU B 38 20.423 -2.362 -4.879 1.00 1.21 C ATOM 0 H LEU B 38 22.738 -5.394 -5.911 1.00 1.15 H new ATOM 0 HA LEU B 38 22.603 -2.569 -4.936 1.00 1.12 H new ATOM 0 HB2 LEU B 38 21.605 -5.247 -4.090 1.00 1.15 H new ATOM 0 HB3 LEU B 38 22.214 -4.253 -2.782 1.00 1.15 H new ATOM 0 HG LEU B 38 19.676 -4.142 -3.943 1.00 1.05 H new ATOM 0 HD11 LEU B 38 19.382 -2.146 -2.442 1.00 1.83 H new ATOM 0 HD12 LEU B 38 20.307 -3.438 -1.639 1.00 1.83 H new ATOM 0 HD13 LEU B 38 21.152 -2.018 -2.301 1.00 1.83 H new ATOM 0 HD21 LEU B 38 19.472 -1.831 -4.828 1.00 1.21 H new ATOM 0 HD22 LEU B 38 21.241 -1.655 -4.743 1.00 1.21 H new ATOM 0 HD23 LEU B 38 20.517 -2.844 -5.852 1.00 1.21 H new ATOM 2160 N PRO B 39 24.453 -2.944 -3.051 1.00 1.33 N ATOM 2161 CA PRO B 39 25.740 -2.909 -2.329 1.00 1.44 C ATOM 2162 C PRO B 39 25.884 -4.104 -1.375 1.00 1.55 C ATOM 2163 O PRO B 39 26.186 -3.944 -0.209 1.00 2.19 O ATOM 2164 CB PRO B 39 25.669 -1.601 -1.539 1.00 1.82 C ATOM 2165 CG PRO B 39 24.167 -1.256 -1.396 1.00 2.05 C ATOM 2166 CD PRO B 39 23.423 -2.047 -2.489 1.00 1.67 C ATOM 0 HA PRO B 39 26.596 -2.964 -3.002 1.00 1.44 H new ATOM 0 HB2 PRO B 39 26.136 -1.713 -0.561 1.00 1.82 H new ATOM 0 HB3 PRO B 39 26.202 -0.805 -2.058 1.00 1.82 H new ATOM 0 HG2 PRO B 39 23.801 -1.527 -0.406 1.00 2.05 H new ATOM 0 HG3 PRO B 39 24.003 -0.185 -1.515 1.00 2.05 H new ATOM 0 HD2 PRO B 39 22.587 -2.611 -2.074 1.00 1.67 H new ATOM 0 HD3 PRO B 39 23.013 -1.384 -3.251 1.00 1.67 H new ATOM 2174 N GLY B 40 25.683 -5.297 -1.864 1.00 1.56 N ATOM 2175 CA GLY B 40 25.821 -6.503 -0.995 1.00 1.93 C ATOM 2176 C GLY B 40 25.208 -6.239 0.381 1.00 1.58 C ATOM 2177 O GLY B 40 24.407 -5.342 0.557 1.00 1.96 O ATOM 0 H GLY B 40 25.428 -5.490 -2.832 1.00 1.56 H new ATOM 0 HA2 GLY B 40 25.328 -7.355 -1.463 1.00 1.93 H new ATOM 0 HA3 GLY B 40 26.874 -6.764 -0.888 1.00 1.93 H new ATOM 2181 N ARG B 41 25.582 -7.019 1.358 1.00 1.61 N ATOM 2182 CA ARG B 41 25.030 -6.826 2.727 1.00 1.65 C ATOM 2183 C ARG B 41 23.506 -6.857 2.665 1.00 1.47 C ATOM 2184 O ARG B 41 22.850 -5.835 2.635 1.00 1.47 O ATOM 2185 CB ARG B 41 25.483 -5.477 3.257 1.00 1.87 C ATOM 2186 CG ARG B 41 26.971 -5.536 3.612 1.00 2.23 C ATOM 2187 CD ARG B 41 27.129 -5.796 5.111 1.00 3.03 C ATOM 2188 NE ARG B 41 28.560 -6.081 5.417 1.00 3.71 N ATOM 2189 CZ ARG B 41 28.869 -7.004 6.287 1.00 4.45 C ATOM 2190 NH1 ARG B 41 28.518 -8.243 6.077 1.00 5.14 N ATOM 2191 NH2 ARG B 41 29.531 -6.687 7.366 1.00 4.86 N ATOM 0 H ARG B 41 26.249 -7.785 1.265 1.00 1.61 H new ATOM 0 HA ARG B 41 25.385 -7.620 3.384 1.00 1.65 H new ATOM 0 HB2 ARG B 41 25.308 -4.704 2.509 1.00 1.87 H new ATOM 0 HB3 ARG B 41 24.900 -5.207 4.137 1.00 1.87 H new ATOM 0 HG2 ARG B 41 27.461 -6.325 3.042 1.00 2.23 H new ATOM 0 HG3 ARG B 41 27.458 -4.599 3.342 1.00 2.23 H new ATOM 0 HD2 ARG B 41 26.790 -4.930 5.679 1.00 3.03 H new ATOM 0 HD3 ARG B 41 26.507 -6.638 5.413 1.00 3.03 H new ATOM 0 HE ARG B 41 29.297 -5.555 4.947 1.00 3.71 H new ATOM 0 HH11 ARG B 41 28.002 -8.491 5.233 1.00 5.14 H new ATOM 0 HH12 ARG B 41 28.760 -8.964 6.757 1.00 5.14 H new ATOM 0 HH21 ARG B 41 29.807 -5.719 7.529 1.00 4.86 H new ATOM 0 HH22 ARG B 41 29.773 -7.408 8.046 1.00 4.86 H new ATOM 2205 N TRP B 42 22.942 -8.025 2.639 1.00 1.40 N ATOM 2206 CA TRP B 42 21.459 -8.139 2.570 1.00 1.24 C ATOM 2207 C TRP B 42 21.018 -9.519 3.062 1.00 1.27 C ATOM 2208 O TRP B 42 21.819 -10.321 3.501 1.00 1.44 O ATOM 2209 CB TRP B 42 21.010 -7.963 1.120 1.00 1.13 C ATOM 2210 CG TRP B 42 21.768 -8.914 0.250 1.00 1.25 C ATOM 2211 CD1 TRP B 42 22.963 -8.654 -0.328 1.00 1.36 C ATOM 2212 CD2 TRP B 42 21.410 -10.270 -0.146 1.00 1.32 C ATOM 2213 NE1 TRP B 42 23.359 -9.761 -1.056 1.00 1.50 N ATOM 2214 CE2 TRP B 42 22.436 -10.784 -0.975 1.00 1.48 C ATOM 2215 CE3 TRP B 42 20.305 -11.096 0.129 1.00 1.31 C ATOM 2216 CZ2 TRP B 42 22.368 -12.071 -1.511 1.00 1.62 C ATOM 2217 CZ3 TRP B 42 20.234 -12.392 -0.408 1.00 1.45 C ATOM 2218 CH2 TRP B 42 21.263 -12.878 -1.226 1.00 1.61 C ATOM 0 H TRP B 42 23.444 -8.913 2.663 1.00 1.40 H new ATOM 0 HA TRP B 42 21.011 -7.370 3.199 1.00 1.24 H new ATOM 0 HB2 TRP B 42 19.939 -8.148 1.034 1.00 1.13 H new ATOM 0 HB3 TRP B 42 21.184 -6.937 0.795 1.00 1.13 H new ATOM 0 HD1 TRP B 42 23.518 -7.732 -0.236 1.00 1.36 H new ATOM 0 HE1 TRP B 42 24.228 -9.815 -1.588 1.00 1.50 H new ATOM 0 HE3 TRP B 42 19.506 -10.731 0.757 1.00 1.31 H new ATOM 0 HZ2 TRP B 42 23.163 -12.441 -2.141 1.00 1.62 H new ATOM 0 HZ3 TRP B 42 19.381 -13.018 -0.189 1.00 1.45 H new ATOM 0 HH2 TRP B 42 21.202 -13.875 -1.636 1.00 1.61 H new ATOM 2229 N LYS B 43 19.747 -9.800 2.981 1.00 1.16 N ATOM 2230 CA LYS B 43 19.240 -11.127 3.430 1.00 1.22 C ATOM 2231 C LYS B 43 18.154 -11.593 2.457 1.00 1.14 C ATOM 2232 O LYS B 43 17.425 -10.786 1.917 1.00 1.00 O ATOM 2233 CB LYS B 43 18.648 -11.002 4.836 1.00 1.29 C ATOM 2234 CG LYS B 43 19.721 -10.489 5.798 1.00 1.62 C ATOM 2235 CD LYS B 43 19.361 -10.897 7.228 1.00 1.95 C ATOM 2236 CE LYS B 43 20.623 -11.356 7.961 1.00 2.35 C ATOM 2237 NZ LYS B 43 20.637 -10.780 9.335 1.00 2.87 N ATOM 0 H LYS B 43 19.035 -9.165 2.622 1.00 1.16 H new ATOM 0 HA LYS B 43 20.057 -11.849 3.450 1.00 1.22 H new ATOM 0 HB2 LYS B 43 17.798 -10.319 4.825 1.00 1.29 H new ATOM 0 HB3 LYS B 43 18.275 -11.969 5.173 1.00 1.29 H new ATOM 0 HG2 LYS B 43 20.694 -10.898 5.526 1.00 1.62 H new ATOM 0 HG3 LYS B 43 19.800 -9.404 5.727 1.00 1.62 H new ATOM 0 HD2 LYS B 43 18.907 -10.057 7.754 1.00 1.95 H new ATOM 0 HD3 LYS B 43 18.624 -11.700 7.214 1.00 1.95 H new ATOM 0 HE2 LYS B 43 20.652 -12.444 8.011 1.00 2.35 H new ATOM 0 HE3 LYS B 43 21.510 -11.039 7.413 1.00 2.35 H new ATOM 0 HZ1 LYS B 43 21.495 -11.092 9.833 1.00 2.87 H new ATOM 0 HZ2 LYS B 43 20.629 -9.742 9.276 1.00 2.87 H new ATOM 0 HZ3 LYS B 43 19.797 -11.104 9.856 1.00 2.87 H new ATOM 2251 N PRO B 44 18.082 -12.881 2.256 1.00 1.30 N ATOM 2252 CA PRO B 44 17.095 -13.482 1.345 1.00 1.28 C ATOM 2253 C PRO B 44 15.715 -13.528 2.003 1.00 1.27 C ATOM 2254 O PRO B 44 15.584 -13.815 3.177 1.00 1.46 O ATOM 2255 CB PRO B 44 17.634 -14.893 1.109 1.00 1.56 C ATOM 2256 CG PRO B 44 18.559 -15.212 2.309 1.00 1.73 C ATOM 2257 CD PRO B 44 18.971 -13.858 2.918 1.00 1.56 C ATOM 0 HA PRO B 44 16.970 -12.919 0.420 1.00 1.28 H new ATOM 0 HB2 PRO B 44 16.819 -15.614 1.044 1.00 1.56 H new ATOM 0 HB3 PRO B 44 18.184 -14.947 0.169 1.00 1.56 H new ATOM 0 HG2 PRO B 44 18.041 -15.827 3.045 1.00 1.73 H new ATOM 0 HG3 PRO B 44 19.435 -15.774 1.985 1.00 1.73 H new ATOM 0 HD2 PRO B 44 18.837 -13.850 4.000 1.00 1.56 H new ATOM 0 HD3 PRO B 44 20.021 -13.637 2.725 1.00 1.56 H new ATOM 2265 N LYS B 45 14.686 -13.247 1.255 1.00 1.12 N ATOM 2266 CA LYS B 45 13.313 -13.273 1.834 1.00 1.18 C ATOM 2267 C LYS B 45 12.289 -13.419 0.708 1.00 1.07 C ATOM 2268 O LYS B 45 12.638 -13.613 -0.438 1.00 1.22 O ATOM 2269 CB LYS B 45 13.054 -11.971 2.595 1.00 1.16 C ATOM 2270 CG LYS B 45 13.000 -10.803 1.608 1.00 1.30 C ATOM 2271 CD LYS B 45 11.745 -9.969 1.872 1.00 1.45 C ATOM 2272 CE LYS B 45 11.849 -9.312 3.250 1.00 1.77 C ATOM 2273 NZ LYS B 45 10.555 -8.652 3.585 1.00 2.32 N ATOM 0 H LYS B 45 14.735 -13.000 0.267 1.00 1.12 H new ATOM 0 HA LYS B 45 13.223 -14.116 2.519 1.00 1.18 H new ATOM 0 HB2 LYS B 45 12.115 -12.040 3.145 1.00 1.16 H new ATOM 0 HB3 LYS B 45 13.842 -11.804 3.329 1.00 1.16 H new ATOM 0 HG2 LYS B 45 13.890 -10.183 1.713 1.00 1.30 H new ATOM 0 HG3 LYS B 45 12.992 -11.178 0.585 1.00 1.30 H new ATOM 0 HD2 LYS B 45 11.634 -9.206 1.101 1.00 1.45 H new ATOM 0 HD3 LYS B 45 10.859 -10.602 1.825 1.00 1.45 H new ATOM 0 HE2 LYS B 45 12.094 -10.060 4.004 1.00 1.77 H new ATOM 0 HE3 LYS B 45 12.656 -8.579 3.255 1.00 1.77 H new ATOM 0 HZ1 LYS B 45 10.738 -7.792 4.140 1.00 2.32 H new ATOM 0 HZ2 LYS B 45 10.057 -8.398 2.708 1.00 2.32 H new ATOM 0 HZ3 LYS B 45 9.966 -9.305 4.141 1.00 2.32 H new ATOM 2287 N MET B 46 11.026 -13.330 1.025 1.00 1.01 N ATOM 2288 CA MET B 46 9.982 -13.462 -0.030 1.00 0.97 C ATOM 2289 C MET B 46 8.749 -12.649 0.368 1.00 0.87 C ATOM 2290 O MET B 46 8.253 -12.762 1.471 1.00 0.95 O ATOM 2291 CB MET B 46 9.595 -14.935 -0.182 1.00 1.17 C ATOM 2292 CG MET B 46 10.819 -15.742 -0.618 1.00 1.09 C ATOM 2293 SD MET B 46 10.308 -17.421 -1.061 1.00 1.33 S ATOM 2294 CE MET B 46 9.012 -16.960 -2.237 1.00 1.16 C ATOM 0 H MET B 46 10.672 -13.172 1.969 1.00 1.01 H new ATOM 0 HA MET B 46 10.372 -13.089 -0.977 1.00 0.97 H new ATOM 0 HB2 MET B 46 9.210 -15.320 0.762 1.00 1.17 H new ATOM 0 HB3 MET B 46 8.797 -15.038 -0.918 1.00 1.17 H new ATOM 0 HG2 MET B 46 11.301 -15.261 -1.469 1.00 1.09 H new ATOM 0 HG3 MET B 46 11.553 -15.774 0.188 1.00 1.09 H new ATOM 0 HE1 MET B 46 9.075 -17.600 -3.117 1.00 1.16 H new ATOM 0 HE2 MET B 46 8.035 -17.082 -1.769 1.00 1.16 H new ATOM 0 HE3 MET B 46 9.144 -15.920 -2.534 1.00 1.16 H new ATOM 2304 N ILE B 47 8.241 -11.837 -0.520 1.00 0.75 N ATOM 2305 CA ILE B 47 7.035 -11.034 -0.180 1.00 0.68 C ATOM 2306 C ILE B 47 5.797 -11.736 -0.734 1.00 0.61 C ATOM 2307 O ILE B 47 5.845 -12.376 -1.765 1.00 0.58 O ATOM 2308 CB ILE B 47 7.144 -9.633 -0.793 1.00 0.64 C ATOM 2309 CG1 ILE B 47 7.412 -9.748 -2.296 1.00 0.65 C ATOM 2310 CG2 ILE B 47 8.291 -8.870 -0.129 1.00 0.67 C ATOM 2311 CD1 ILE B 47 6.942 -8.471 -3.001 1.00 0.63 C ATOM 0 H ILE B 47 8.608 -11.697 -1.461 1.00 0.75 H new ATOM 0 HA ILE B 47 6.958 -10.941 0.903 1.00 0.68 H new ATOM 0 HB ILE B 47 6.209 -9.097 -0.631 1.00 0.64 H new ATOM 0 HG12 ILE B 47 8.476 -9.904 -2.475 1.00 0.65 H new ATOM 0 HG13 ILE B 47 6.890 -10.614 -2.704 1.00 0.65 H new ATOM 0 HG21 ILE B 47 8.367 -7.874 -0.566 1.00 0.67 H new ATOM 0 HG22 ILE B 47 8.099 -8.783 0.940 1.00 0.67 H new ATOM 0 HG23 ILE B 47 9.226 -9.408 -0.287 1.00 0.67 H new ATOM 0 HD11 ILE B 47 7.134 -8.554 -4.071 1.00 0.63 H new ATOM 0 HD12 ILE B 47 5.874 -8.335 -2.833 1.00 0.63 H new ATOM 0 HD13 ILE B 47 7.484 -7.614 -2.601 1.00 0.63 H new ATOM 2323 N GLY B 48 4.687 -11.620 -0.063 1.00 0.64 N ATOM 2324 CA GLY B 48 3.445 -12.278 -0.557 1.00 0.62 C ATOM 2325 C GLY B 48 2.397 -11.203 -0.823 1.00 0.59 C ATOM 2326 O GLY B 48 1.834 -10.633 0.090 1.00 0.74 O ATOM 0 H GLY B 48 4.585 -11.098 0.807 1.00 0.64 H new ATOM 0 HA2 GLY B 48 3.651 -12.839 -1.469 1.00 0.62 H new ATOM 0 HA3 GLY B 48 3.076 -12.992 0.180 1.00 0.62 H new ATOM 2330 N GLY B 49 2.140 -10.905 -2.066 1.00 0.46 N ATOM 2331 CA GLY B 49 1.141 -9.848 -2.371 1.00 0.45 C ATOM 2332 C GLY B 49 0.110 -10.348 -3.383 1.00 0.44 C ATOM 2333 O GLY B 49 -0.562 -11.338 -3.175 1.00 0.48 O ATOM 0 H GLY B 49 2.575 -11.345 -2.877 1.00 0.46 H new ATOM 0 HA2 GLY B 49 0.638 -9.542 -1.454 1.00 0.45 H new ATOM 0 HA3 GLY B 49 1.647 -8.967 -2.766 1.00 0.45 H new ATOM 2337 N ILE B 50 -0.041 -9.632 -4.459 1.00 0.40 N ATOM 2338 CA ILE B 50 -1.052 -9.998 -5.492 1.00 0.41 C ATOM 2339 C ILE B 50 -0.519 -11.035 -6.484 1.00 0.44 C ATOM 2340 O ILE B 50 0.446 -10.806 -7.182 1.00 0.51 O ATOM 2341 CB ILE B 50 -1.414 -8.725 -6.239 1.00 0.41 C ATOM 2342 CG1 ILE B 50 -1.844 -7.685 -5.210 1.00 0.46 C ATOM 2343 CG2 ILE B 50 -2.555 -9.001 -7.216 1.00 0.47 C ATOM 2344 CD1 ILE B 50 -2.394 -6.452 -5.916 1.00 0.44 C ATOM 0 H ILE B 50 0.501 -8.795 -4.672 1.00 0.40 H new ATOM 0 HA ILE B 50 -1.917 -10.444 -5.001 1.00 0.41 H new ATOM 0 HB ILE B 50 -0.559 -8.361 -6.809 1.00 0.41 H new ATOM 0 HG12 ILE B 50 -2.603 -8.106 -4.550 1.00 0.46 H new ATOM 0 HG13 ILE B 50 -0.996 -7.408 -4.584 1.00 0.46 H new ATOM 0 HG21 ILE B 50 -2.809 -8.084 -7.748 1.00 0.47 H new ATOM 0 HG22 ILE B 50 -2.245 -9.762 -7.932 1.00 0.47 H new ATOM 0 HG23 ILE B 50 -3.427 -9.355 -6.666 1.00 0.47 H new ATOM 0 HD11 ILE B 50 -2.699 -5.714 -5.174 1.00 0.44 H new ATOM 0 HD12 ILE B 50 -1.622 -6.025 -6.557 1.00 0.44 H new ATOM 0 HD13 ILE B 50 -3.255 -6.734 -6.523 1.00 0.44 H new ATOM 2356 N GLY B 51 -1.170 -12.165 -6.572 1.00 0.44 N ATOM 2357 CA GLY B 51 -0.731 -13.213 -7.537 1.00 0.49 C ATOM 2358 C GLY B 51 -0.008 -14.338 -6.797 1.00 0.49 C ATOM 2359 O GLY B 51 -0.354 -15.496 -6.920 1.00 0.69 O ATOM 0 H GLY B 51 -1.989 -12.407 -6.015 1.00 0.44 H new ATOM 0 HA2 GLY B 51 -1.594 -13.613 -8.069 1.00 0.49 H new ATOM 0 HA3 GLY B 51 -0.070 -12.776 -8.285 1.00 0.49 H new ATOM 2363 N GLY B 52 0.994 -14.012 -6.031 1.00 0.52 N ATOM 2364 CA GLY B 52 1.735 -15.071 -5.290 1.00 0.53 C ATOM 2365 C GLY B 52 2.849 -14.435 -4.461 1.00 0.49 C ATOM 2366 O GLY B 52 2.832 -13.253 -4.179 1.00 0.47 O ATOM 0 H GLY B 52 1.332 -13.061 -5.886 1.00 0.52 H new ATOM 0 HA2 GLY B 52 1.053 -15.619 -4.640 1.00 0.53 H new ATOM 0 HA3 GLY B 52 2.156 -15.792 -5.991 1.00 0.53 H new ATOM 2370 N PHE B 53 3.817 -15.212 -4.067 1.00 0.52 N ATOM 2371 CA PHE B 53 4.934 -14.657 -3.253 1.00 0.54 C ATOM 2372 C PHE B 53 6.205 -14.599 -4.103 1.00 0.53 C ATOM 2373 O PHE B 53 6.639 -15.591 -4.654 1.00 0.56 O ATOM 2374 CB PHE B 53 5.177 -15.557 -2.039 1.00 0.65 C ATOM 2375 CG PHE B 53 3.891 -15.723 -1.264 1.00 0.76 C ATOM 2376 CD1 PHE B 53 2.816 -16.419 -1.830 1.00 0.95 C ATOM 2377 CD2 PHE B 53 3.776 -15.183 0.022 1.00 1.58 C ATOM 2378 CE1 PHE B 53 1.625 -16.574 -1.109 1.00 1.08 C ATOM 2379 CE2 PHE B 53 2.585 -15.337 0.742 1.00 1.98 C ATOM 2380 CZ PHE B 53 1.510 -16.032 0.176 1.00 1.51 C ATOM 0 H PHE B 53 3.884 -16.209 -4.273 1.00 0.52 H new ATOM 0 HA PHE B 53 4.674 -13.653 -2.917 1.00 0.54 H new ATOM 0 HB2 PHE B 53 5.546 -16.530 -2.363 1.00 0.65 H new ATOM 0 HB3 PHE B 53 5.945 -15.122 -1.399 1.00 0.65 H new ATOM 0 HD1 PHE B 53 2.905 -16.836 -2.822 1.00 0.95 H new ATOM 0 HD2 PHE B 53 4.606 -14.648 0.459 1.00 1.58 H new ATOM 0 HE1 PHE B 53 0.796 -17.112 -1.545 1.00 1.08 H new ATOM 0 HE2 PHE B 53 2.496 -14.920 1.734 1.00 1.98 H new ATOM 0 HZ PHE B 53 0.591 -16.150 0.731 1.00 1.51 H new ATOM 2390 N ILE B 54 6.813 -13.449 -4.207 1.00 0.58 N ATOM 2391 CA ILE B 54 8.060 -13.340 -5.014 1.00 0.62 C ATOM 2392 C ILE B 54 9.266 -13.388 -4.073 1.00 0.68 C ATOM 2393 O ILE B 54 9.143 -13.169 -2.885 1.00 0.79 O ATOM 2394 CB ILE B 54 8.064 -12.018 -5.787 1.00 0.61 C ATOM 2395 CG1 ILE B 54 8.033 -10.851 -4.798 1.00 0.61 C ATOM 2396 CG2 ILE B 54 6.835 -11.947 -6.696 1.00 0.64 C ATOM 2397 CD1 ILE B 54 8.735 -9.640 -5.416 1.00 0.73 C ATOM 0 H ILE B 54 6.501 -12.582 -3.769 1.00 0.58 H new ATOM 0 HA ILE B 54 8.111 -14.166 -5.724 1.00 0.62 H new ATOM 0 HB ILE B 54 8.966 -11.959 -6.396 1.00 0.61 H new ATOM 0 HG12 ILE B 54 7.002 -10.599 -4.548 1.00 0.61 H new ATOM 0 HG13 ILE B 54 8.526 -11.135 -3.868 1.00 0.61 H new ATOM 0 HG21 ILE B 54 6.842 -11.005 -7.244 1.00 0.64 H new ATOM 0 HG22 ILE B 54 6.856 -12.777 -7.402 1.00 0.64 H new ATOM 0 HG23 ILE B 54 5.931 -12.008 -6.091 1.00 0.64 H new ATOM 0 HD11 ILE B 54 8.713 -8.808 -4.712 1.00 0.73 H new ATOM 0 HD12 ILE B 54 9.770 -9.896 -5.643 1.00 0.73 H new ATOM 0 HD13 ILE B 54 8.223 -9.352 -6.334 1.00 0.73 H new ATOM 2409 N LYS B 55 10.432 -13.671 -4.587 1.00 0.76 N ATOM 2410 CA LYS B 55 11.635 -13.729 -3.708 1.00 0.83 C ATOM 2411 C LYS B 55 12.445 -12.442 -3.868 1.00 0.79 C ATOM 2412 O LYS B 55 12.761 -12.029 -4.962 1.00 0.81 O ATOM 2413 CB LYS B 55 12.502 -14.925 -4.099 1.00 0.97 C ATOM 2414 CG LYS B 55 11.891 -16.206 -3.529 1.00 1.19 C ATOM 2415 CD LYS B 55 12.196 -17.377 -4.465 1.00 1.63 C ATOM 2416 CE LYS B 55 12.330 -18.663 -3.646 1.00 2.46 C ATOM 2417 NZ LYS B 55 13.705 -19.214 -3.808 1.00 3.04 N ATOM 0 H LYS B 55 10.604 -13.864 -5.574 1.00 0.76 H new ATOM 0 HA LYS B 55 11.318 -13.836 -2.671 1.00 0.83 H new ATOM 0 HB2 LYS B 55 12.575 -14.996 -5.184 1.00 0.97 H new ATOM 0 HB3 LYS B 55 13.515 -14.793 -3.720 1.00 0.97 H new ATOM 0 HG2 LYS B 55 12.296 -16.405 -2.537 1.00 1.19 H new ATOM 0 HG3 LYS B 55 10.813 -16.088 -3.416 1.00 1.19 H new ATOM 0 HD2 LYS B 55 11.400 -17.484 -5.202 1.00 1.63 H new ATOM 0 HD3 LYS B 55 13.117 -17.186 -5.016 1.00 1.63 H new ATOM 0 HE2 LYS B 55 12.130 -18.459 -2.594 1.00 2.46 H new ATOM 0 HE3 LYS B 55 11.592 -19.395 -3.975 1.00 2.46 H new ATOM 0 HZ1 LYS B 55 13.797 -20.088 -3.252 1.00 3.04 H new ATOM 0 HZ2 LYS B 55 13.879 -19.423 -4.812 1.00 3.04 H new ATOM 0 HZ3 LYS B 55 14.400 -18.516 -3.474 1.00 3.04 H new ATOM 2431 N VAL B 56 12.784 -11.804 -2.786 1.00 0.79 N ATOM 2432 CA VAL B 56 13.570 -10.545 -2.886 1.00 0.76 C ATOM 2433 C VAL B 56 14.715 -10.571 -1.875 1.00 0.81 C ATOM 2434 O VAL B 56 14.799 -11.443 -1.037 1.00 0.90 O ATOM 2435 CB VAL B 56 12.658 -9.355 -2.592 1.00 0.71 C ATOM 2436 CG1 VAL B 56 11.548 -9.290 -3.642 1.00 0.78 C ATOM 2437 CG2 VAL B 56 12.036 -9.526 -1.204 1.00 0.81 C ATOM 0 H VAL B 56 12.552 -12.099 -1.838 1.00 0.79 H new ATOM 0 HA VAL B 56 13.980 -10.453 -3.892 1.00 0.76 H new ATOM 0 HB VAL B 56 13.240 -8.434 -2.622 1.00 0.71 H new ATOM 0 HG11 VAL B 56 10.898 -8.441 -3.432 1.00 0.78 H new ATOM 0 HG12 VAL B 56 11.990 -9.173 -4.632 1.00 0.78 H new ATOM 0 HG13 VAL B 56 10.964 -10.210 -3.612 1.00 0.78 H new ATOM 0 HG21 VAL B 56 11.384 -8.679 -0.990 1.00 0.81 H new ATOM 0 HG22 VAL B 56 11.454 -10.447 -1.177 1.00 0.81 H new ATOM 0 HG23 VAL B 56 12.826 -9.574 -0.455 1.00 0.81 H new ATOM 2447 N ARG B 57 15.594 -9.614 -1.949 1.00 0.81 N ATOM 2448 CA ARG B 57 16.737 -9.565 -0.999 1.00 0.87 C ATOM 2449 C ARG B 57 16.631 -8.292 -0.162 1.00 0.80 C ATOM 2450 O ARG B 57 16.892 -7.203 -0.633 1.00 0.92 O ATOM 2451 CB ARG B 57 18.050 -9.552 -1.781 1.00 0.91 C ATOM 2452 CG ARG B 57 18.021 -10.650 -2.846 1.00 1.12 C ATOM 2453 CD ARG B 57 19.362 -10.685 -3.581 1.00 1.34 C ATOM 2454 NE ARG B 57 19.121 -10.761 -5.049 1.00 1.56 N ATOM 2455 CZ ARG B 57 19.816 -11.587 -5.782 1.00 1.92 C ATOM 2456 NH1 ARG B 57 19.420 -12.821 -5.929 1.00 2.56 N ATOM 2457 NH2 ARG B 57 20.909 -11.178 -6.367 1.00 2.40 N ATOM 0 H ARG B 57 15.569 -8.857 -2.633 1.00 0.81 H new ATOM 0 HA ARG B 57 16.714 -10.439 -0.348 1.00 0.87 H new ATOM 0 HB2 ARG B 57 18.196 -8.579 -2.250 1.00 0.91 H new ATOM 0 HB3 ARG B 57 18.890 -9.709 -1.104 1.00 0.91 H new ATOM 0 HG2 ARG B 57 17.824 -11.616 -2.382 1.00 1.12 H new ATOM 0 HG3 ARG B 57 17.212 -10.465 -3.552 1.00 1.12 H new ATOM 0 HD2 ARG B 57 19.943 -9.794 -3.343 1.00 1.34 H new ATOM 0 HD3 ARG B 57 19.947 -11.544 -3.253 1.00 1.34 H new ATOM 0 HE ARG B 57 18.413 -10.168 -5.481 1.00 1.56 H new ATOM 0 HH11 ARG B 57 18.567 -13.141 -5.471 1.00 2.56 H new ATOM 0 HH12 ARG B 57 19.964 -13.466 -6.502 1.00 2.56 H new ATOM 0 HH21 ARG B 57 21.219 -10.213 -6.251 1.00 2.40 H new ATOM 0 HH22 ARG B 57 21.453 -11.823 -6.940 1.00 2.40 H new ATOM 2471 N GLN B 58 16.242 -8.418 1.073 1.00 0.88 N ATOM 2472 CA GLN B 58 16.109 -7.214 1.937 1.00 0.84 C ATOM 2473 C GLN B 58 17.448 -6.479 2.011 1.00 0.82 C ATOM 2474 O GLN B 58 18.287 -6.779 2.838 1.00 0.93 O ATOM 2475 CB GLN B 58 15.682 -7.641 3.343 1.00 0.97 C ATOM 2476 CG GLN B 58 14.999 -6.467 4.048 1.00 1.06 C ATOM 2477 CD GLN B 58 13.971 -7.000 5.047 1.00 1.44 C ATOM 2478 OE1 GLN B 58 12.781 -6.874 4.838 1.00 2.08 O ATOM 2479 NE2 GLN B 58 14.383 -7.593 6.134 1.00 1.95 N ATOM 0 H GLN B 58 16.010 -9.303 1.523 1.00 0.88 H new ATOM 0 HA GLN B 58 15.357 -6.548 1.513 1.00 0.84 H new ATOM 0 HB2 GLN B 58 15.001 -8.490 3.286 1.00 0.97 H new ATOM 0 HB3 GLN B 58 16.551 -7.967 3.915 1.00 0.97 H new ATOM 0 HG2 GLN B 58 15.741 -5.857 4.564 1.00 1.06 H new ATOM 0 HG3 GLN B 58 14.511 -5.824 3.316 1.00 1.06 H new ATOM 0 HE21 GLN B 58 15.382 -7.699 6.310 1.00 1.95 H new ATOM 0 HE22 GLN B 58 13.706 -7.951 6.808 1.00 1.95 H new ATOM 2488 N TYR B 59 17.649 -5.507 1.163 1.00 0.73 N ATOM 2489 CA TYR B 59 18.925 -4.741 1.198 1.00 0.73 C ATOM 2490 C TYR B 59 18.750 -3.568 2.159 1.00 0.72 C ATOM 2491 O TYR B 59 18.290 -2.509 1.784 1.00 0.77 O ATOM 2492 CB TYR B 59 19.251 -4.209 -0.199 1.00 0.68 C ATOM 2493 CG TYR B 59 20.032 -5.245 -0.970 1.00 0.75 C ATOM 2494 CD1 TYR B 59 21.424 -5.312 -0.839 1.00 0.83 C ATOM 2495 CD2 TYR B 59 19.364 -6.134 -1.819 1.00 0.77 C ATOM 2496 CE1 TYR B 59 22.149 -6.269 -1.558 1.00 0.92 C ATOM 2497 CE2 TYR B 59 20.089 -7.092 -2.537 1.00 0.88 C ATOM 2498 CZ TYR B 59 21.482 -7.160 -2.407 1.00 0.95 C ATOM 2499 OH TYR B 59 22.197 -8.104 -3.115 1.00 1.08 O ATOM 0 H TYR B 59 16.984 -5.211 0.448 1.00 0.73 H new ATOM 0 HA TYR B 59 19.739 -5.387 1.527 1.00 0.73 H new ATOM 0 HB2 TYR B 59 18.331 -3.965 -0.729 1.00 0.68 H new ATOM 0 HB3 TYR B 59 19.828 -3.288 -0.122 1.00 0.68 H new ATOM 0 HD1 TYR B 59 21.938 -4.625 -0.183 1.00 0.83 H new ATOM 0 HD2 TYR B 59 18.290 -6.081 -1.920 1.00 0.77 H new ATOM 0 HE1 TYR B 59 23.223 -6.320 -1.458 1.00 0.92 H new ATOM 0 HE2 TYR B 59 19.574 -7.779 -3.192 1.00 0.88 H new ATOM 0 HH TYR B 59 22.784 -8.596 -2.504 1.00 1.08 H new ATOM 2509 N ASP B 60 19.090 -3.753 3.401 1.00 0.83 N ATOM 2510 CA ASP B 60 18.915 -2.653 4.386 1.00 0.85 C ATOM 2511 C ASP B 60 20.051 -1.640 4.260 1.00 0.83 C ATOM 2512 O ASP B 60 21.212 -1.992 4.209 1.00 0.88 O ATOM 2513 CB ASP B 60 18.909 -3.235 5.801 1.00 0.99 C ATOM 2514 CG ASP B 60 17.850 -4.334 5.897 1.00 1.14 C ATOM 2515 OD1 ASP B 60 18.083 -5.402 5.355 1.00 1.56 O ATOM 2516 OD2 ASP B 60 16.825 -4.090 6.511 1.00 1.75 O ATOM 0 H ASP B 60 19.481 -4.617 3.777 1.00 0.83 H new ATOM 0 HA ASP B 60 17.969 -2.149 4.188 1.00 0.85 H new ATOM 0 HB2 ASP B 60 19.892 -3.640 6.043 1.00 0.99 H new ATOM 0 HB3 ASP B 60 18.700 -2.450 6.528 1.00 0.99 H new ATOM 2521 N GLN B 61 19.705 -0.380 4.206 1.00 0.78 N ATOM 2522 CA GLN B 61 20.731 0.697 4.090 1.00 0.80 C ATOM 2523 C GLN B 61 21.162 0.851 2.635 1.00 0.74 C ATOM 2524 O GLN B 61 22.312 0.661 2.289 1.00 0.77 O ATOM 2525 CB GLN B 61 21.944 0.377 4.968 1.00 0.88 C ATOM 2526 CG GLN B 61 22.146 1.503 5.984 1.00 1.29 C ATOM 2527 CD GLN B 61 22.253 0.909 7.390 1.00 1.34 C ATOM 2528 OE1 GLN B 61 23.099 0.076 7.648 1.00 1.90 O ATOM 2529 NE2 GLN B 61 21.424 1.305 8.317 1.00 1.90 N ATOM 0 H GLN B 61 18.741 -0.048 4.238 1.00 0.78 H new ATOM 0 HA GLN B 61 20.294 1.635 4.432 1.00 0.80 H new ATOM 0 HB2 GLN B 61 21.793 -0.571 5.484 1.00 0.88 H new ATOM 0 HB3 GLN B 61 22.835 0.265 4.350 1.00 0.88 H new ATOM 0 HG2 GLN B 61 23.049 2.065 5.745 1.00 1.29 H new ATOM 0 HG3 GLN B 61 21.313 2.204 5.936 1.00 1.29 H new ATOM 0 HE21 GLN B 61 20.714 2.004 8.101 1.00 1.90 H new ATOM 0 HE22 GLN B 61 21.487 0.915 9.258 1.00 1.90 H new ATOM 2538 N ILE B 62 20.244 1.211 1.783 1.00 0.67 N ATOM 2539 CA ILE B 62 20.585 1.400 0.349 1.00 0.64 C ATOM 2540 C ILE B 62 20.313 2.854 -0.029 1.00 0.64 C ATOM 2541 O ILE B 62 19.192 3.314 0.021 1.00 0.63 O ATOM 2542 CB ILE B 62 19.719 0.484 -0.505 1.00 0.60 C ATOM 2543 CG1 ILE B 62 19.920 -0.964 -0.061 1.00 0.75 C ATOM 2544 CG2 ILE B 62 20.120 0.626 -1.970 1.00 0.62 C ATOM 2545 CD1 ILE B 62 21.391 -1.355 -0.221 1.00 1.29 C ATOM 0 H ILE B 62 19.267 1.383 2.021 1.00 0.67 H new ATOM 0 HA ILE B 62 21.635 1.160 0.181 1.00 0.64 H new ATOM 0 HB ILE B 62 18.671 0.759 -0.387 1.00 0.60 H new ATOM 0 HG12 ILE B 62 19.614 -1.081 0.979 1.00 0.75 H new ATOM 0 HG13 ILE B 62 19.291 -1.627 -0.655 1.00 0.75 H new ATOM 0 HG21 ILE B 62 19.500 -0.030 -2.582 1.00 0.62 H new ATOM 0 HG22 ILE B 62 19.979 1.659 -2.287 1.00 0.62 H new ATOM 0 HG23 ILE B 62 21.168 0.350 -2.089 1.00 0.62 H new ATOM 0 HD11 ILE B 62 21.529 -2.388 0.097 1.00 1.29 H new ATOM 0 HD12 ILE B 62 21.682 -1.255 -1.267 1.00 1.29 H new ATOM 0 HD13 ILE B 62 22.010 -0.701 0.393 1.00 1.29 H new ATOM 2557 N LEU B 63 21.331 3.584 -0.386 1.00 0.70 N ATOM 2558 CA LEU B 63 21.134 5.016 -0.743 1.00 0.75 C ATOM 2559 C LEU B 63 20.279 5.142 -2.008 1.00 0.68 C ATOM 2560 O LEU B 63 20.786 5.273 -3.104 1.00 0.73 O ATOM 2561 CB LEU B 63 22.500 5.666 -0.980 1.00 0.87 C ATOM 2562 CG LEU B 63 22.356 7.187 -1.134 1.00 0.97 C ATOM 2563 CD1 LEU B 63 21.832 7.521 -2.531 1.00 1.47 C ATOM 2564 CD2 LEU B 63 21.383 7.730 -0.085 1.00 1.14 C ATOM 0 H LEU B 63 22.293 3.251 -0.446 1.00 0.70 H new ATOM 0 HA LEU B 63 20.619 5.519 0.075 1.00 0.75 H new ATOM 0 HB2 LEU B 63 23.165 5.441 -0.146 1.00 0.87 H new ATOM 0 HB3 LEU B 63 22.958 5.246 -1.876 1.00 0.87 H new ATOM 0 HG LEU B 63 23.334 7.648 -0.993 1.00 0.97 H new ATOM 0 HD11 LEU B 63 21.732 8.602 -2.633 1.00 1.47 H new ATOM 0 HD12 LEU B 63 22.530 7.148 -3.280 1.00 1.47 H new ATOM 0 HD13 LEU B 63 20.859 7.051 -2.677 1.00 1.47 H new ATOM 0 HD21 LEU B 63 21.287 8.809 -0.202 1.00 1.14 H new ATOM 0 HD22 LEU B 63 20.407 7.263 -0.217 1.00 1.14 H new ATOM 0 HD23 LEU B 63 21.761 7.505 0.912 1.00 1.14 H new ATOM 2576 N ILE B 64 18.983 5.127 -1.862 1.00 0.62 N ATOM 2577 CA ILE B 64 18.096 5.279 -3.047 1.00 0.58 C ATOM 2578 C ILE B 64 17.756 6.767 -3.194 1.00 0.65 C ATOM 2579 O ILE B 64 17.136 7.364 -2.337 1.00 0.69 O ATOM 2580 CB ILE B 64 16.821 4.439 -2.865 1.00 0.50 C ATOM 2581 CG1 ILE B 64 15.880 4.677 -4.048 1.00 0.50 C ATOM 2582 CG2 ILE B 64 16.112 4.808 -1.563 1.00 0.57 C ATOM 2583 CD1 ILE B 64 14.525 4.025 -3.765 1.00 0.48 C ATOM 0 H ILE B 64 18.500 5.016 -0.971 1.00 0.62 H new ATOM 0 HA ILE B 64 18.597 4.925 -3.948 1.00 0.58 H new ATOM 0 HB ILE B 64 17.100 3.386 -2.821 1.00 0.50 H new ATOM 0 HG12 ILE B 64 15.753 5.747 -4.215 1.00 0.50 H new ATOM 0 HG13 ILE B 64 16.312 4.262 -4.959 1.00 0.50 H new ATOM 0 HG21 ILE B 64 15.213 4.202 -1.454 1.00 0.57 H new ATOM 0 HG22 ILE B 64 16.779 4.623 -0.721 1.00 0.57 H new ATOM 0 HG23 ILE B 64 15.838 5.863 -1.584 1.00 0.57 H new ATOM 0 HD11 ILE B 64 13.856 4.195 -4.608 1.00 0.48 H new ATOM 0 HD12 ILE B 64 14.660 2.953 -3.620 1.00 0.48 H new ATOM 0 HD13 ILE B 64 14.092 4.461 -2.865 1.00 0.48 H new ATOM 2595 N GLU B 65 18.191 7.381 -4.261 1.00 0.72 N ATOM 2596 CA GLU B 65 17.921 8.836 -4.444 1.00 0.81 C ATOM 2597 C GLU B 65 16.598 9.035 -5.182 1.00 0.74 C ATOM 2598 O GLU B 65 16.475 8.724 -6.347 1.00 0.80 O ATOM 2599 CB GLU B 65 19.055 9.463 -5.257 1.00 0.96 C ATOM 2600 CG GLU B 65 18.912 10.986 -5.246 1.00 1.20 C ATOM 2601 CD GLU B 65 19.946 11.602 -6.190 1.00 1.63 C ATOM 2602 OE1 GLU B 65 20.554 10.856 -6.939 1.00 2.26 O ATOM 2603 OE2 GLU B 65 20.111 12.810 -6.149 1.00 2.01 O ATOM 0 H GLU B 65 18.721 6.939 -5.012 1.00 0.72 H new ATOM 0 HA GLU B 65 17.859 9.314 -3.466 1.00 0.81 H new ATOM 0 HB2 GLU B 65 20.019 9.175 -4.838 1.00 0.96 H new ATOM 0 HB3 GLU B 65 19.030 9.092 -6.282 1.00 0.96 H new ATOM 0 HG2 GLU B 65 17.906 11.270 -5.556 1.00 1.20 H new ATOM 0 HG3 GLU B 65 19.054 11.368 -4.235 1.00 1.20 H new ATOM 2610 N ILE B 66 15.611 9.565 -4.513 1.00 0.71 N ATOM 2611 CA ILE B 66 14.302 9.795 -5.175 1.00 0.67 C ATOM 2612 C ILE B 66 14.089 11.300 -5.340 1.00 0.78 C ATOM 2613 O ILE B 66 14.181 12.062 -4.398 1.00 0.85 O ATOM 2614 CB ILE B 66 13.180 9.195 -4.317 1.00 0.60 C ATOM 2615 CG1 ILE B 66 13.085 7.694 -4.593 1.00 0.60 C ATOM 2616 CG2 ILE B 66 11.839 9.853 -4.661 1.00 0.69 C ATOM 2617 CD1 ILE B 66 13.519 6.906 -3.356 1.00 0.64 C ATOM 0 H ILE B 66 15.658 9.848 -3.534 1.00 0.71 H new ATOM 0 HA ILE B 66 14.290 9.316 -6.154 1.00 0.67 H new ATOM 0 HB ILE B 66 13.405 9.371 -3.265 1.00 0.60 H new ATOM 0 HG12 ILE B 66 12.063 7.429 -4.863 1.00 0.60 H new ATOM 0 HG13 ILE B 66 13.716 7.431 -5.442 1.00 0.60 H new ATOM 0 HG21 ILE B 66 11.052 9.418 -4.045 1.00 0.69 H new ATOM 0 HG22 ILE B 66 11.900 10.924 -4.469 1.00 0.69 H new ATOM 0 HG23 ILE B 66 11.611 9.685 -5.714 1.00 0.69 H new ATOM 0 HD11 ILE B 66 13.448 5.838 -3.562 1.00 0.64 H new ATOM 0 HD12 ILE B 66 14.549 7.160 -3.106 1.00 0.64 H new ATOM 0 HD13 ILE B 66 12.869 7.158 -2.518 1.00 0.64 H new ATOM 2629 N CYS B 67 13.809 11.727 -6.534 1.00 0.85 N ATOM 2630 CA CYS B 67 13.589 13.180 -6.779 1.00 0.98 C ATOM 2631 C CYS B 67 14.888 13.943 -6.513 1.00 1.03 C ATOM 2632 O CYS B 67 14.900 14.948 -5.830 1.00 1.27 O ATOM 2633 CB CYS B 67 12.493 13.696 -5.845 1.00 1.02 C ATOM 2634 SG CYS B 67 10.926 13.786 -6.746 1.00 1.29 S ATOM 0 H CYS B 67 13.722 11.132 -7.358 1.00 0.85 H new ATOM 0 HA CYS B 67 13.283 13.332 -7.814 1.00 0.98 H new ATOM 0 HB2 CYS B 67 12.393 13.035 -4.984 1.00 1.02 H new ATOM 0 HB3 CYS B 67 12.761 14.680 -5.461 1.00 1.02 H new ATOM 0 HG CYS B 67 9.996 13.192 -6.059 1.00 1.29 H new ATOM 2640 N GLY B 68 15.982 13.473 -7.045 1.00 1.45 N ATOM 2641 CA GLY B 68 17.279 14.171 -6.821 1.00 1.52 C ATOM 2642 C GLY B 68 17.521 14.328 -5.319 1.00 1.48 C ATOM 2643 O GLY B 68 18.250 15.198 -4.885 1.00 1.72 O ATOM 0 H GLY B 68 16.034 12.636 -7.625 1.00 1.45 H new ATOM 0 HA2 GLY B 68 18.092 13.604 -7.274 1.00 1.52 H new ATOM 0 HA3 GLY B 68 17.266 15.149 -7.302 1.00 1.52 H new ATOM 2647 N HIS B 69 16.914 13.493 -4.521 1.00 1.26 N ATOM 2648 CA HIS B 69 17.108 13.595 -3.048 1.00 1.25 C ATOM 2649 C HIS B 69 17.645 12.266 -2.513 1.00 1.15 C ATOM 2650 O HIS B 69 17.092 11.215 -2.769 1.00 1.09 O ATOM 2651 CB HIS B 69 15.770 13.912 -2.377 1.00 1.26 C ATOM 2652 CG HIS B 69 15.353 15.313 -2.727 1.00 1.47 C ATOM 2653 ND1 HIS B 69 14.267 15.804 -3.410 1.00 1.82 N flip ATOM 2654 CD2 HIS B 69 16.101 16.421 -2.362 1.00 1.67 C flip ATOM 2655 CE1 HIS B 69 14.338 17.192 -3.468 1.00 2.04 C flip ATOM 2656 NE2 HIS B 69 15.462 17.512 -2.821 1.00 1.94 N flip ATOM 0 H HIS B 69 16.292 12.744 -4.826 1.00 1.26 H new ATOM 0 HA HIS B 69 17.820 14.390 -2.829 1.00 1.25 H new ATOM 0 HB2 HIS B 69 15.010 13.203 -2.704 1.00 1.26 H new ATOM 0 HB3 HIS B 69 15.859 13.807 -1.296 1.00 1.26 H new ATOM 0 HD2 HIS B 69 17.029 16.410 -1.809 1.00 1.67 H new ATOM 0 HE1 HIS B 69 13.635 17.866 -3.936 1.00 2.04 H new ATOM 0 HE2 HIS B 69 15.795 18.467 -2.691 1.00 1.94 H new ATOM 2664 N LYS B 70 18.718 12.303 -1.772 1.00 1.21 N ATOM 2665 CA LYS B 70 19.287 11.041 -1.224 1.00 1.14 C ATOM 2666 C LYS B 70 18.306 10.438 -0.217 1.00 1.09 C ATOM 2667 O LYS B 70 17.651 11.143 0.525 1.00 1.23 O ATOM 2668 CB LYS B 70 20.615 11.341 -0.527 1.00 1.27 C ATOM 2669 CG LYS B 70 21.768 10.764 -1.352 1.00 1.54 C ATOM 2670 CD LYS B 70 22.535 11.904 -2.025 1.00 2.26 C ATOM 2671 CE LYS B 70 24.037 11.690 -1.833 1.00 2.98 C ATOM 2672 NZ LYS B 70 24.689 12.994 -1.526 1.00 3.57 N ATOM 0 H LYS B 70 19.225 13.152 -1.523 1.00 1.21 H new ATOM 0 HA LYS B 70 19.456 10.334 -2.036 1.00 1.14 H new ATOM 0 HB2 LYS B 70 20.741 12.417 -0.410 1.00 1.27 H new ATOM 0 HB3 LYS B 70 20.618 10.909 0.474 1.00 1.27 H new ATOM 0 HG2 LYS B 70 22.437 10.191 -0.710 1.00 1.54 H new ATOM 0 HG3 LYS B 70 21.382 10.077 -2.105 1.00 1.54 H new ATOM 0 HD2 LYS B 70 22.295 11.941 -3.088 1.00 2.26 H new ATOM 0 HD3 LYS B 70 22.235 12.861 -1.597 1.00 2.26 H new ATOM 0 HE2 LYS B 70 24.214 10.983 -1.022 1.00 2.98 H new ATOM 0 HE3 LYS B 70 24.472 11.257 -2.734 1.00 2.98 H new ATOM 0 HZ1 LYS B 70 25.711 12.849 -1.395 1.00 3.57 H new ATOM 0 HZ2 LYS B 70 24.531 13.655 -2.313 1.00 3.57 H new ATOM 0 HZ3 LYS B 70 24.281 13.389 -0.655 1.00 3.57 H new ATOM 2686 N ALA B 71 18.195 9.139 -0.189 1.00 0.94 N ATOM 2687 CA ALA B 71 17.251 8.491 0.766 1.00 0.93 C ATOM 2688 C ALA B 71 17.658 7.036 0.980 1.00 0.88 C ATOM 2689 O ALA B 71 17.396 6.196 0.154 1.00 1.01 O ATOM 2690 CB ALA B 71 15.838 8.525 0.180 1.00 0.86 C ATOM 0 H ALA B 71 18.717 8.497 -0.786 1.00 0.94 H new ATOM 0 HA ALA B 71 17.276 9.025 1.716 1.00 0.93 H new ATOM 0 HB1 ALA B 71 15.144 8.052 0.875 1.00 0.86 H new ATOM 0 HB2 ALA B 71 15.537 9.560 0.015 1.00 0.86 H new ATOM 0 HB3 ALA B 71 15.824 7.988 -0.768 1.00 0.86 H new ATOM 2696 N ILE B 72 18.279 6.720 2.083 1.00 0.82 N ATOM 2697 CA ILE B 72 18.676 5.302 2.320 1.00 0.78 C ATOM 2698 C ILE B 72 17.447 4.527 2.792 1.00 0.77 C ATOM 2699 O ILE B 72 16.546 5.082 3.389 1.00 0.91 O ATOM 2700 CB ILE B 72 19.775 5.242 3.392 1.00 0.86 C ATOM 2701 CG1 ILE B 72 21.138 5.478 2.721 1.00 0.92 C ATOM 2702 CG2 ILE B 72 19.761 3.881 4.107 1.00 0.89 C ATOM 2703 CD1 ILE B 72 21.785 4.149 2.311 1.00 1.03 C ATOM 0 H ILE B 72 18.527 7.375 2.825 1.00 0.82 H new ATOM 0 HA ILE B 72 19.062 4.863 1.400 1.00 0.78 H new ATOM 0 HB ILE B 72 19.594 6.015 4.139 1.00 0.86 H new ATOM 0 HG12 ILE B 72 21.011 6.111 1.843 1.00 0.92 H new ATOM 0 HG13 ILE B 72 21.797 6.012 3.406 1.00 0.92 H new ATOM 0 HG21 ILE B 72 20.547 3.859 4.862 1.00 0.89 H new ATOM 0 HG22 ILE B 72 18.793 3.731 4.586 1.00 0.89 H new ATOM 0 HG23 ILE B 72 19.933 3.087 3.381 1.00 0.89 H new ATOM 0 HD11 ILE B 72 22.748 4.344 1.839 1.00 1.03 H new ATOM 0 HD12 ILE B 72 21.933 3.528 3.195 1.00 1.03 H new ATOM 0 HD13 ILE B 72 21.134 3.629 1.608 1.00 1.03 H new ATOM 2715 N GLY B 73 17.398 3.252 2.535 1.00 0.69 N ATOM 2716 CA GLY B 73 16.215 2.466 2.983 1.00 0.70 C ATOM 2717 C GLY B 73 16.392 0.986 2.647 1.00 0.67 C ATOM 2718 O GLY B 73 17.415 0.561 2.151 1.00 0.70 O ATOM 0 H GLY B 73 18.116 2.724 2.040 1.00 0.69 H new ATOM 0 HA2 GLY B 73 16.078 2.586 4.058 1.00 0.70 H new ATOM 0 HA3 GLY B 73 15.315 2.848 2.502 1.00 0.70 H new ATOM 2722 N THR B 74 15.392 0.199 2.926 1.00 0.66 N ATOM 2723 CA THR B 74 15.478 -1.261 2.641 1.00 0.65 C ATOM 2724 C THR B 74 14.931 -1.558 1.241 1.00 0.56 C ATOM 2725 O THR B 74 13.733 -1.539 1.009 1.00 0.57 O ATOM 2726 CB THR B 74 14.658 -2.030 3.680 1.00 0.76 C ATOM 2727 OG1 THR B 74 14.761 -1.378 4.938 1.00 0.92 O ATOM 2728 CG2 THR B 74 15.190 -3.459 3.798 1.00 0.82 C ATOM 0 H THR B 74 14.513 0.506 3.342 1.00 0.66 H new ATOM 0 HA THR B 74 16.521 -1.572 2.689 1.00 0.65 H new ATOM 0 HB THR B 74 13.613 -2.059 3.370 1.00 0.76 H new ATOM 0 HG1 THR B 74 14.235 -1.868 5.604 1.00 0.92 H new ATOM 0 HG21 THR B 74 14.605 -4.005 4.538 1.00 0.82 H new ATOM 0 HG22 THR B 74 15.110 -3.958 2.832 1.00 0.82 H new ATOM 0 HG23 THR B 74 16.235 -3.434 4.108 1.00 0.82 H new ATOM 2736 N VAL B 75 15.803 -1.839 0.310 1.00 0.51 N ATOM 2737 CA VAL B 75 15.349 -2.148 -1.078 1.00 0.46 C ATOM 2738 C VAL B 75 15.331 -3.665 -1.293 1.00 0.51 C ATOM 2739 O VAL B 75 16.361 -4.305 -1.359 1.00 0.72 O ATOM 2740 CB VAL B 75 16.303 -1.507 -2.088 1.00 0.45 C ATOM 2741 CG1 VAL B 75 15.543 -1.188 -3.375 1.00 0.43 C ATOM 2742 CG2 VAL B 75 16.870 -0.211 -1.505 1.00 0.45 C ATOM 0 H VAL B 75 16.813 -1.868 0.451 1.00 0.51 H new ATOM 0 HA VAL B 75 14.345 -1.749 -1.220 1.00 0.46 H new ATOM 0 HB VAL B 75 17.117 -2.198 -2.304 1.00 0.45 H new ATOM 0 HG11 VAL B 75 16.222 -0.731 -4.095 1.00 0.43 H new ATOM 0 HG12 VAL B 75 15.135 -2.108 -3.794 1.00 0.43 H new ATOM 0 HG13 VAL B 75 14.729 -0.497 -3.155 1.00 0.43 H new ATOM 0 HG21 VAL B 75 17.550 0.245 -2.225 1.00 0.45 H new ATOM 0 HG22 VAL B 75 16.054 0.478 -1.289 1.00 0.45 H new ATOM 0 HG23 VAL B 75 17.411 -0.432 -0.585 1.00 0.45 H new ATOM 2752 N LEU B 76 14.166 -4.243 -1.409 1.00 0.51 N ATOM 2753 CA LEU B 76 14.075 -5.715 -1.626 1.00 0.57 C ATOM 2754 C LEU B 76 14.329 -6.026 -3.101 1.00 0.56 C ATOM 2755 O LEU B 76 13.527 -5.721 -3.952 1.00 0.62 O ATOM 2756 CB LEU B 76 12.673 -6.191 -1.248 1.00 0.57 C ATOM 2757 CG LEU B 76 12.362 -5.760 0.184 1.00 0.62 C ATOM 2758 CD1 LEU B 76 11.573 -4.452 0.158 1.00 0.78 C ATOM 2759 CD2 LEU B 76 11.532 -6.843 0.877 1.00 0.83 C ATOM 0 H LEU B 76 13.270 -3.757 -1.363 1.00 0.51 H new ATOM 0 HA LEU B 76 14.817 -6.223 -1.011 1.00 0.57 H new ATOM 0 HB2 LEU B 76 11.937 -5.772 -1.934 1.00 0.57 H new ATOM 0 HB3 LEU B 76 12.609 -7.276 -1.336 1.00 0.57 H new ATOM 0 HG LEU B 76 13.294 -5.614 0.731 1.00 0.62 H new ATOM 0 HD11 LEU B 76 11.349 -4.142 1.179 1.00 0.78 H new ATOM 0 HD12 LEU B 76 12.164 -3.680 -0.335 1.00 0.78 H new ATOM 0 HD13 LEU B 76 10.642 -4.600 -0.389 1.00 0.78 H new ATOM 0 HD21 LEU B 76 11.311 -6.534 1.899 1.00 0.83 H new ATOM 0 HD22 LEU B 76 10.599 -6.991 0.333 1.00 0.83 H new ATOM 0 HD23 LEU B 76 12.094 -7.777 0.894 1.00 0.83 H new ATOM 2771 N VAL B 77 15.440 -6.626 -3.411 1.00 0.60 N ATOM 2772 CA VAL B 77 15.742 -6.947 -4.836 1.00 0.63 C ATOM 2773 C VAL B 77 15.225 -8.349 -5.178 1.00 0.68 C ATOM 2774 O VAL B 77 15.706 -9.341 -4.669 1.00 0.76 O ATOM 2775 CB VAL B 77 17.255 -6.894 -5.056 1.00 0.71 C ATOM 2776 CG1 VAL B 77 17.552 -6.814 -6.554 1.00 0.81 C ATOM 2777 CG2 VAL B 77 17.830 -5.657 -4.360 1.00 0.80 C ATOM 0 H VAL B 77 16.155 -6.910 -2.741 1.00 0.60 H new ATOM 0 HA VAL B 77 15.250 -6.219 -5.481 1.00 0.63 H new ATOM 0 HB VAL B 77 17.711 -7.793 -4.641 1.00 0.71 H new ATOM 0 HG11 VAL B 77 18.630 -6.776 -6.710 1.00 0.81 H new ATOM 0 HG12 VAL B 77 17.144 -7.693 -7.053 1.00 0.81 H new ATOM 0 HG13 VAL B 77 17.094 -5.916 -6.968 1.00 0.81 H new ATOM 0 HG21 VAL B 77 18.908 -5.619 -4.517 1.00 0.80 H new ATOM 0 HG22 VAL B 77 17.371 -4.760 -4.775 1.00 0.80 H new ATOM 0 HG23 VAL B 77 17.620 -5.710 -3.292 1.00 0.80 H new ATOM 2787 N GLY B 78 14.252 -8.436 -6.045 1.00 0.66 N ATOM 2788 CA GLY B 78 13.705 -9.770 -6.431 1.00 0.72 C ATOM 2789 C GLY B 78 13.220 -9.707 -7.881 1.00 0.71 C ATOM 2790 O GLY B 78 13.529 -8.771 -8.589 1.00 0.70 O ATOM 0 H GLY B 78 13.811 -7.639 -6.504 1.00 0.66 H new ATOM 0 HA2 GLY B 78 14.472 -10.537 -6.323 1.00 0.72 H new ATOM 0 HA3 GLY B 78 12.883 -10.046 -5.770 1.00 0.72 H new ATOM 2794 N PRO B 79 12.474 -10.706 -8.280 1.00 0.73 N ATOM 2795 CA PRO B 79 11.926 -10.791 -9.644 1.00 0.75 C ATOM 2796 C PRO B 79 10.676 -9.917 -9.786 1.00 0.68 C ATOM 2797 O PRO B 79 9.704 -10.305 -10.403 1.00 0.71 O ATOM 2798 CB PRO B 79 11.569 -12.271 -9.796 1.00 0.81 C ATOM 2799 CG PRO B 79 11.389 -12.823 -8.361 1.00 0.80 C ATOM 2800 CD PRO B 79 12.118 -11.847 -7.417 1.00 0.75 C ATOM 0 HA PRO B 79 12.626 -10.441 -10.403 1.00 0.75 H new ATOM 0 HB2 PRO B 79 10.655 -12.393 -10.377 1.00 0.81 H new ATOM 0 HB3 PRO B 79 12.357 -12.809 -10.324 1.00 0.81 H new ATOM 0 HG2 PRO B 79 10.332 -12.894 -8.103 1.00 0.80 H new ATOM 0 HG3 PRO B 79 11.806 -13.827 -8.277 1.00 0.80 H new ATOM 0 HD2 PRO B 79 11.477 -11.537 -6.592 1.00 0.75 H new ATOM 0 HD3 PRO B 79 13.004 -12.305 -6.977 1.00 0.75 H new ATOM 2808 N THR B 80 10.697 -8.738 -9.234 1.00 0.60 N ATOM 2809 CA THR B 80 9.516 -7.840 -9.353 1.00 0.54 C ATOM 2810 C THR B 80 9.628 -7.065 -10.670 1.00 0.57 C ATOM 2811 O THR B 80 10.699 -6.616 -11.029 1.00 0.61 O ATOM 2812 CB THR B 80 9.496 -6.859 -8.178 1.00 0.51 C ATOM 2813 OG1 THR B 80 8.402 -5.965 -8.329 1.00 0.67 O ATOM 2814 CG2 THR B 80 10.803 -6.068 -8.148 1.00 0.65 C ATOM 0 H THR B 80 11.481 -8.357 -8.705 1.00 0.60 H new ATOM 0 HA THR B 80 8.597 -8.425 -9.340 1.00 0.54 H new ATOM 0 HB THR B 80 9.388 -7.412 -7.245 1.00 0.51 H new ATOM 0 HG1 THR B 80 8.739 -5.068 -8.534 1.00 0.67 H new ATOM 0 HG21 THR B 80 10.787 -5.370 -7.311 1.00 0.65 H new ATOM 0 HG22 THR B 80 11.641 -6.755 -8.032 1.00 0.65 H new ATOM 0 HG23 THR B 80 10.914 -5.514 -9.080 1.00 0.65 H new ATOM 2822 N PRO B 81 8.524 -6.937 -11.358 1.00 0.56 N ATOM 2823 CA PRO B 81 8.473 -6.227 -12.650 1.00 0.60 C ATOM 2824 C PRO B 81 8.419 -4.710 -12.436 1.00 0.57 C ATOM 2825 O PRO B 81 8.062 -3.966 -13.328 1.00 0.61 O ATOM 2826 CB PRO B 81 7.167 -6.722 -13.275 1.00 0.61 C ATOM 2827 CG PRO B 81 6.281 -7.212 -12.103 1.00 0.56 C ATOM 2828 CD PRO B 81 7.227 -7.488 -10.920 1.00 0.53 C ATOM 0 HA PRO B 81 9.348 -6.416 -13.272 1.00 0.60 H new ATOM 0 HB2 PRO B 81 6.673 -5.923 -13.828 1.00 0.61 H new ATOM 0 HB3 PRO B 81 7.356 -7.529 -13.983 1.00 0.61 H new ATOM 0 HG2 PRO B 81 5.539 -6.459 -11.838 1.00 0.56 H new ATOM 0 HG3 PRO B 81 5.735 -8.114 -12.381 1.00 0.56 H new ATOM 0 HD2 PRO B 81 6.876 -7.004 -10.008 1.00 0.53 H new ATOM 0 HD3 PRO B 81 7.299 -8.555 -10.708 1.00 0.53 H new ATOM 2836 N VAL B 82 8.751 -4.242 -11.264 1.00 0.52 N ATOM 2837 CA VAL B 82 8.692 -2.777 -11.016 1.00 0.49 C ATOM 2838 C VAL B 82 9.555 -2.415 -9.799 1.00 0.45 C ATOM 2839 O VAL B 82 9.873 -3.250 -8.973 1.00 0.48 O ATOM 2840 CB VAL B 82 7.224 -2.393 -10.749 1.00 0.48 C ATOM 2841 CG1 VAL B 82 7.141 -1.126 -9.893 1.00 0.58 C ATOM 2842 CG2 VAL B 82 6.511 -2.144 -12.077 1.00 0.66 C ATOM 0 H VAL B 82 9.058 -4.808 -10.473 1.00 0.52 H new ATOM 0 HA VAL B 82 9.072 -2.235 -11.882 1.00 0.49 H new ATOM 0 HB VAL B 82 6.746 -3.213 -10.214 1.00 0.48 H new ATOM 0 HG11 VAL B 82 6.095 -0.874 -9.717 1.00 0.58 H new ATOM 0 HG12 VAL B 82 7.638 -1.299 -8.938 1.00 0.58 H new ATOM 0 HG13 VAL B 82 7.630 -0.303 -10.413 1.00 0.58 H new ATOM 0 HG21 VAL B 82 5.473 -1.872 -11.887 1.00 0.66 H new ATOM 0 HG22 VAL B 82 7.007 -1.332 -12.610 1.00 0.66 H new ATOM 0 HG23 VAL B 82 6.544 -3.049 -12.683 1.00 0.66 H new ATOM 2852 N ASN B 83 9.900 -1.162 -9.669 1.00 0.43 N ATOM 2853 CA ASN B 83 10.692 -0.721 -8.490 1.00 0.42 C ATOM 2854 C ASN B 83 9.704 -0.097 -7.508 1.00 0.43 C ATOM 2855 O ASN B 83 9.341 1.055 -7.618 1.00 0.78 O ATOM 2856 CB ASN B 83 11.748 0.299 -8.918 1.00 0.46 C ATOM 2857 CG ASN B 83 12.830 -0.408 -9.734 1.00 0.64 C ATOM 2858 OD1 ASN B 83 13.432 -1.358 -9.275 1.00 1.34 O ATOM 2859 ND2 ASN B 83 13.100 0.016 -10.937 1.00 0.86 N ATOM 0 H ASN B 83 9.665 -0.424 -10.333 1.00 0.43 H new ATOM 0 HA ASN B 83 11.217 -1.558 -8.029 1.00 0.42 H new ATOM 0 HB2 ASN B 83 11.288 1.090 -9.510 1.00 0.46 H new ATOM 0 HB3 ASN B 83 12.189 0.773 -8.041 1.00 0.46 H new ATOM 0 HD21 ASN B 83 13.817 -0.450 -11.493 1.00 0.86 H new ATOM 0 HD22 ASN B 83 12.594 0.814 -11.322 1.00 0.86 H new ATOM 2866 N ILE B 84 9.220 -0.879 -6.588 1.00 0.36 N ATOM 2867 CA ILE B 84 8.192 -0.376 -5.632 1.00 0.35 C ATOM 2868 C ILE B 84 8.808 0.447 -4.497 1.00 0.30 C ATOM 2869 O ILE B 84 9.696 -0.002 -3.798 1.00 0.38 O ATOM 2870 CB ILE B 84 7.459 -1.576 -5.022 1.00 0.46 C ATOM 2871 CG1 ILE B 84 7.099 -2.589 -6.121 1.00 0.86 C ATOM 2872 CG2 ILE B 84 6.185 -1.098 -4.325 1.00 0.42 C ATOM 2873 CD1 ILE B 84 5.882 -2.102 -6.909 1.00 0.65 C ATOM 0 H ILE B 84 9.493 -1.853 -6.454 1.00 0.36 H new ATOM 0 HA ILE B 84 7.511 0.271 -6.185 1.00 0.35 H new ATOM 0 HB ILE B 84 8.111 -2.059 -4.295 1.00 0.46 H new ATOM 0 HG12 ILE B 84 7.946 -2.724 -6.793 1.00 0.86 H new ATOM 0 HG13 ILE B 84 6.888 -3.561 -5.675 1.00 0.86 H new ATOM 0 HG21 ILE B 84 5.665 -1.952 -3.892 1.00 0.42 H new ATOM 0 HG22 ILE B 84 6.445 -0.393 -3.535 1.00 0.42 H new ATOM 0 HG23 ILE B 84 5.536 -0.608 -5.050 1.00 0.42 H new ATOM 0 HD11 ILE B 84 5.637 -2.828 -7.684 1.00 0.65 H new ATOM 0 HD12 ILE B 84 5.033 -1.990 -6.235 1.00 0.65 H new ATOM 0 HD13 ILE B 84 6.108 -1.141 -7.370 1.00 0.65 H new ATOM 2885 N ILE B 85 8.294 1.634 -4.279 1.00 0.27 N ATOM 2886 CA ILE B 85 8.789 2.485 -3.156 1.00 0.30 C ATOM 2887 C ILE B 85 7.706 2.473 -2.068 1.00 0.35 C ATOM 2888 O ILE B 85 6.749 3.221 -2.124 1.00 0.53 O ATOM 2889 CB ILE B 85 9.027 3.925 -3.645 1.00 0.35 C ATOM 2890 CG1 ILE B 85 10.357 4.015 -4.405 1.00 0.42 C ATOM 2891 CG2 ILE B 85 9.077 4.873 -2.444 1.00 0.63 C ATOM 2892 CD1 ILE B 85 10.536 2.786 -5.301 1.00 0.41 C ATOM 0 H ILE B 85 7.548 2.051 -4.836 1.00 0.27 H new ATOM 0 HA ILE B 85 9.733 2.102 -2.770 1.00 0.30 H new ATOM 0 HB ILE B 85 8.211 4.207 -4.310 1.00 0.35 H new ATOM 0 HG12 ILE B 85 10.378 4.922 -5.010 1.00 0.42 H new ATOM 0 HG13 ILE B 85 11.184 4.083 -3.699 1.00 0.42 H new ATOM 0 HG21 ILE B 85 9.246 5.892 -2.792 1.00 0.63 H new ATOM 0 HG22 ILE B 85 8.132 4.826 -1.904 1.00 0.63 H new ATOM 0 HG23 ILE B 85 9.889 4.577 -1.780 1.00 0.63 H new ATOM 0 HD11 ILE B 85 11.483 2.860 -5.836 1.00 0.41 H new ATOM 0 HD12 ILE B 85 10.535 1.885 -4.687 1.00 0.41 H new ATOM 0 HD13 ILE B 85 9.717 2.737 -6.019 1.00 0.41 H new ATOM 2904 N GLY B 86 7.829 1.603 -1.101 1.00 0.30 N ATOM 2905 CA GLY B 86 6.789 1.507 -0.035 1.00 0.35 C ATOM 2906 C GLY B 86 7.022 2.547 1.062 1.00 0.43 C ATOM 2907 O GLY B 86 7.714 3.528 0.874 1.00 0.63 O ATOM 0 H GLY B 86 8.608 0.952 -1.003 1.00 0.30 H new ATOM 0 HA2 GLY B 86 5.801 1.652 -0.473 1.00 0.35 H new ATOM 0 HA3 GLY B 86 6.801 0.507 0.400 1.00 0.35 H new ATOM 2911 N ARG B 87 6.427 2.335 2.208 1.00 0.50 N ATOM 2912 CA ARG B 87 6.580 3.299 3.334 1.00 0.59 C ATOM 2913 C ARG B 87 8.038 3.353 3.789 1.00 0.57 C ATOM 2914 O ARG B 87 8.561 4.406 4.095 1.00 0.63 O ATOM 2915 CB ARG B 87 5.701 2.854 4.504 1.00 0.72 C ATOM 2916 CG ARG B 87 4.231 2.890 4.082 1.00 1.05 C ATOM 2917 CD ARG B 87 3.827 4.330 3.758 1.00 1.75 C ATOM 2918 NE ARG B 87 4.049 5.190 4.955 1.00 2.50 N ATOM 2919 CZ ARG B 87 4.022 6.489 4.839 1.00 3.44 C ATOM 2920 NH1 ARG B 87 3.086 7.061 4.131 1.00 4.12 N ATOM 2921 NH2 ARG B 87 4.930 7.216 5.429 1.00 4.14 N ATOM 0 H ARG B 87 5.837 1.528 2.411 1.00 0.50 H new ATOM 0 HA ARG B 87 6.276 4.290 2.997 1.00 0.59 H new ATOM 0 HB2 ARG B 87 5.976 1.847 4.816 1.00 0.72 H new ATOM 0 HB3 ARG B 87 5.860 3.508 5.361 1.00 0.72 H new ATOM 0 HG2 ARG B 87 4.076 2.253 3.211 1.00 1.05 H new ATOM 0 HG3 ARG B 87 3.603 2.496 4.881 1.00 1.05 H new ATOM 0 HD2 ARG B 87 4.411 4.702 2.916 1.00 1.75 H new ATOM 0 HD3 ARG B 87 2.779 4.367 3.460 1.00 1.75 H new ATOM 0 HE ARG B 87 4.222 4.763 5.865 1.00 2.50 H new ATOM 0 HH11 ARG B 87 2.376 6.492 3.669 1.00 4.12 H new ATOM 0 HH12 ARG B 87 3.064 8.077 4.040 1.00 4.12 H new ATOM 0 HH21 ARG B 87 5.662 6.769 5.981 1.00 4.14 H new ATOM 0 HH22 ARG B 87 4.908 8.232 5.338 1.00 4.14 H new ATOM 2935 N ASN B 88 8.699 2.229 3.843 1.00 0.54 N ATOM 2936 CA ASN B 88 10.122 2.226 4.286 1.00 0.57 C ATOM 2937 C ASN B 88 10.863 3.389 3.626 1.00 0.54 C ATOM 2938 O ASN B 88 11.800 3.934 4.175 1.00 0.59 O ATOM 2939 CB ASN B 88 10.779 0.907 3.874 1.00 0.56 C ATOM 2940 CG ASN B 88 11.006 0.906 2.361 1.00 0.50 C ATOM 2941 OD1 ASN B 88 10.080 1.088 1.597 1.00 0.51 O ATOM 2942 ND2 ASN B 88 12.208 0.718 1.895 1.00 0.58 N ATOM 0 H ASN B 88 8.317 1.315 3.600 1.00 0.54 H new ATOM 0 HA ASN B 88 10.166 2.334 5.370 1.00 0.57 H new ATOM 0 HB2 ASN B 88 11.728 0.782 4.396 1.00 0.56 H new ATOM 0 HB3 ASN B 88 10.145 0.067 4.159 1.00 0.56 H new ATOM 0 HD21 ASN B 88 12.371 0.724 0.888 1.00 0.58 H new ATOM 0 HD22 ASN B 88 12.986 0.565 2.537 1.00 0.58 H new ATOM 2949 N LEU B 89 10.455 3.768 2.446 1.00 0.51 N ATOM 2950 CA LEU B 89 11.142 4.888 1.749 1.00 0.51 C ATOM 2951 C LEU B 89 10.268 6.140 1.791 1.00 0.53 C ATOM 2952 O LEU B 89 10.760 7.250 1.730 1.00 0.58 O ATOM 2953 CB LEU B 89 11.419 4.486 0.300 1.00 0.49 C ATOM 2954 CG LEU B 89 12.890 4.081 0.156 1.00 0.55 C ATOM 2955 CD1 LEU B 89 13.754 5.338 0.063 1.00 0.71 C ATOM 2956 CD2 LEU B 89 13.328 3.265 1.375 1.00 0.59 C ATOM 0 H LEU B 89 9.677 3.350 1.936 1.00 0.51 H new ATOM 0 HA LEU B 89 12.086 5.105 2.249 1.00 0.51 H new ATOM 0 HB2 LEU B 89 10.772 3.657 0.011 1.00 0.49 H new ATOM 0 HB3 LEU B 89 11.192 5.316 -0.369 1.00 0.49 H new ATOM 0 HG LEU B 89 13.008 3.479 -0.745 1.00 0.55 H new ATOM 0 HD11 LEU B 89 14.801 5.053 -0.039 1.00 0.71 H new ATOM 0 HD12 LEU B 89 13.451 5.924 -0.804 1.00 0.71 H new ATOM 0 HD13 LEU B 89 13.627 5.934 0.966 1.00 0.71 H new ATOM 0 HD21 LEU B 89 14.375 2.981 1.266 1.00 0.59 H new ATOM 0 HD22 LEU B 89 13.207 3.865 2.277 1.00 0.59 H new ATOM 0 HD23 LEU B 89 12.714 2.367 1.452 1.00 0.59 H new ATOM 2968 N LEU B 90 8.980 5.981 1.918 1.00 0.52 N ATOM 2969 CA LEU B 90 8.099 7.178 1.989 1.00 0.57 C ATOM 2970 C LEU B 90 8.264 7.824 3.368 1.00 0.62 C ATOM 2971 O LEU B 90 7.682 8.848 3.659 1.00 0.71 O ATOM 2972 CB LEU B 90 6.640 6.771 1.775 1.00 0.63 C ATOM 2973 CG LEU B 90 6.471 6.211 0.361 1.00 0.55 C ATOM 2974 CD1 LEU B 90 5.079 5.596 0.213 1.00 1.17 C ATOM 2975 CD2 LEU B 90 6.638 7.342 -0.657 1.00 1.46 C ATOM 0 H LEU B 90 8.503 5.081 1.975 1.00 0.52 H new ATOM 0 HA LEU B 90 8.377 7.888 1.210 1.00 0.57 H new ATOM 0 HB2 LEU B 90 6.348 6.023 2.512 1.00 0.63 H new ATOM 0 HB3 LEU B 90 5.986 7.631 1.918 1.00 0.63 H new ATOM 0 HG LEU B 90 7.225 5.444 0.184 1.00 0.55 H new ATOM 0 HD11 LEU B 90 4.962 5.198 -0.795 1.00 1.17 H new ATOM 0 HD12 LEU B 90 4.958 4.790 0.937 1.00 1.17 H new ATOM 0 HD13 LEU B 90 4.323 6.360 0.391 1.00 1.17 H new ATOM 0 HD21 LEU B 90 6.518 6.945 -1.665 1.00 1.46 H new ATOM 0 HD22 LEU B 90 5.884 8.108 -0.477 1.00 1.46 H new ATOM 0 HD23 LEU B 90 7.631 7.779 -0.555 1.00 1.46 H new ATOM 2987 N THR B 91 9.067 7.237 4.216 1.00 0.68 N ATOM 2988 CA THR B 91 9.290 7.821 5.564 1.00 0.75 C ATOM 2989 C THR B 91 10.616 8.581 5.546 1.00 0.73 C ATOM 2990 O THR B 91 10.868 9.436 6.371 1.00 0.78 O ATOM 2991 CB THR B 91 9.354 6.701 6.605 1.00 0.86 C ATOM 2992 OG1 THR B 91 9.939 5.546 6.019 1.00 1.09 O ATOM 2993 CG2 THR B 91 7.942 6.369 7.091 1.00 1.12 C ATOM 0 H THR B 91 9.578 6.375 4.029 1.00 0.68 H new ATOM 0 HA THR B 91 8.474 8.496 5.821 1.00 0.75 H new ATOM 0 HB THR B 91 9.958 7.027 7.452 1.00 0.86 H new ATOM 0 HG1 THR B 91 9.275 5.091 5.460 1.00 1.09 H new ATOM 0 HG21 THR B 91 7.990 5.571 7.832 1.00 1.12 H new ATOM 0 HG22 THR B 91 7.494 7.255 7.541 1.00 1.12 H new ATOM 0 HG23 THR B 91 7.334 6.044 6.247 1.00 1.12 H new ATOM 3001 N GLN B 92 11.466 8.275 4.599 1.00 0.68 N ATOM 3002 CA GLN B 92 12.776 8.978 4.512 1.00 0.71 C ATOM 3003 C GLN B 92 12.609 10.257 3.689 1.00 0.68 C ATOM 3004 O GLN B 92 13.151 11.293 4.019 1.00 0.73 O ATOM 3005 CB GLN B 92 13.807 8.068 3.840 1.00 0.73 C ATOM 3006 CG GLN B 92 14.096 6.868 4.744 1.00 0.85 C ATOM 3007 CD GLN B 92 15.495 7.007 5.346 1.00 1.47 C ATOM 3008 OE1 GLN B 92 16.463 7.174 4.631 1.00 2.12 O ATOM 3009 NE2 GLN B 92 15.644 6.945 6.641 1.00 2.18 N ATOM 0 H GLN B 92 11.307 7.567 3.882 1.00 0.68 H new ATOM 0 HA GLN B 92 13.120 9.230 5.515 1.00 0.71 H new ATOM 0 HB2 GLN B 92 13.433 7.727 2.875 1.00 0.73 H new ATOM 0 HB3 GLN B 92 14.726 8.622 3.648 1.00 0.73 H new ATOM 0 HG2 GLN B 92 13.351 6.810 5.538 1.00 0.85 H new ATOM 0 HG3 GLN B 92 14.025 5.943 4.172 1.00 0.85 H new ATOM 0 HE21 GLN B 92 14.832 6.805 7.242 1.00 2.18 H new ATOM 0 HE22 GLN B 92 16.573 7.037 7.052 1.00 2.18 H new ATOM 3018 N ILE B 93 11.853 10.198 2.624 1.00 0.62 N ATOM 3019 CA ILE B 93 11.647 11.420 1.796 1.00 0.66 C ATOM 3020 C ILE B 93 10.511 12.252 2.403 1.00 0.69 C ATOM 3021 O ILE B 93 10.175 13.312 1.915 1.00 0.78 O ATOM 3022 CB ILE B 93 11.293 11.025 0.358 1.00 0.66 C ATOM 3023 CG1 ILE B 93 10.318 9.847 0.367 1.00 0.59 C ATOM 3024 CG2 ILE B 93 12.564 10.619 -0.390 1.00 0.74 C ATOM 3025 CD1 ILE B 93 9.329 9.997 -0.789 1.00 0.72 C ATOM 0 H ILE B 93 11.372 9.361 2.294 1.00 0.62 H new ATOM 0 HA ILE B 93 12.564 12.009 1.781 1.00 0.66 H new ATOM 0 HB ILE B 93 10.829 11.876 -0.140 1.00 0.66 H new ATOM 0 HG12 ILE B 93 10.864 8.908 0.273 1.00 0.59 H new ATOM 0 HG13 ILE B 93 9.783 9.811 1.316 1.00 0.59 H new ATOM 0 HG21 ILE B 93 12.311 10.338 -1.412 1.00 0.74 H new ATOM 0 HG22 ILE B 93 13.260 11.457 -0.406 1.00 0.74 H new ATOM 0 HG23 ILE B 93 13.028 9.771 0.114 1.00 0.74 H new ATOM 0 HD11 ILE B 93 8.633 9.158 -0.784 1.00 0.72 H new ATOM 0 HD12 ILE B 93 8.775 10.929 -0.675 1.00 0.72 H new ATOM 0 HD13 ILE B 93 9.873 10.012 -1.734 1.00 0.72 H new ATOM 3037 N GLY B 94 9.930 11.783 3.477 1.00 0.67 N ATOM 3038 CA GLY B 94 8.827 12.546 4.134 1.00 0.74 C ATOM 3039 C GLY B 94 7.597 12.612 3.222 1.00 0.66 C ATOM 3040 O GLY B 94 6.984 13.650 3.073 1.00 0.71 O ATOM 0 H GLY B 94 10.173 10.901 3.929 1.00 0.67 H new ATOM 0 HA2 GLY B 94 8.561 12.070 5.078 1.00 0.74 H new ATOM 0 HA3 GLY B 94 9.166 13.555 4.370 1.00 0.74 H new ATOM 3044 N ALA B 95 7.225 11.518 2.616 1.00 0.64 N ATOM 3045 CA ALA B 95 6.030 11.535 1.722 1.00 0.59 C ATOM 3046 C ALA B 95 4.750 11.573 2.561 1.00 0.60 C ATOM 3047 O ALA B 95 4.694 11.051 3.657 1.00 0.71 O ATOM 3048 CB ALA B 95 6.008 10.278 0.849 1.00 0.55 C ATOM 0 H ALA B 95 7.694 10.616 2.700 1.00 0.64 H new ATOM 0 HA ALA B 95 6.085 12.421 1.090 1.00 0.59 H new ATOM 0 HB1 ALA B 95 5.132 10.301 0.201 1.00 0.55 H new ATOM 0 HB2 ALA B 95 6.910 10.243 0.239 1.00 0.55 H new ATOM 0 HB3 ALA B 95 5.966 9.394 1.485 1.00 0.55 H new ATOM 3054 N THR B 96 3.717 12.175 2.040 1.00 0.55 N ATOM 3055 CA THR B 96 2.426 12.240 2.781 1.00 0.59 C ATOM 3056 C THR B 96 1.283 12.090 1.783 1.00 0.53 C ATOM 3057 O THR B 96 1.226 12.773 0.779 1.00 0.56 O ATOM 3058 CB THR B 96 2.300 13.581 3.503 1.00 0.69 C ATOM 3059 OG1 THR B 96 1.957 14.592 2.567 1.00 0.76 O ATOM 3060 CG2 THR B 96 3.629 13.930 4.175 1.00 0.77 C ATOM 0 H THR B 96 3.712 12.628 1.126 1.00 0.55 H new ATOM 0 HA THR B 96 2.389 11.440 3.520 1.00 0.59 H new ATOM 0 HB THR B 96 1.521 13.512 4.263 1.00 0.69 H new ATOM 0 HG1 THR B 96 1.846 14.192 1.679 1.00 0.76 H new ATOM 0 HG21 THR B 96 3.537 14.887 4.689 1.00 0.77 H new ATOM 0 HG22 THR B 96 3.887 13.154 4.896 1.00 0.77 H new ATOM 0 HG23 THR B 96 4.412 13.998 3.420 1.00 0.77 H new ATOM 3068 N LEU B 97 0.378 11.196 2.045 1.00 0.54 N ATOM 3069 CA LEU B 97 -0.758 10.993 1.107 1.00 0.50 C ATOM 3070 C LEU B 97 -1.917 11.905 1.509 1.00 0.54 C ATOM 3071 O LEU B 97 -2.713 11.570 2.363 1.00 0.60 O ATOM 3072 CB LEU B 97 -1.210 9.536 1.173 1.00 0.50 C ATOM 3073 CG LEU B 97 -0.805 8.824 -0.115 1.00 0.41 C ATOM 3074 CD1 LEU B 97 0.703 8.590 -0.108 1.00 0.55 C ATOM 3075 CD2 LEU B 97 -1.524 7.480 -0.202 1.00 0.55 C ATOM 0 H LEU B 97 0.374 10.595 2.869 1.00 0.54 H new ATOM 0 HA LEU B 97 -0.443 11.233 0.091 1.00 0.50 H new ATOM 0 HB2 LEU B 97 -0.758 9.042 2.033 1.00 0.50 H new ATOM 0 HB3 LEU B 97 -2.291 9.484 1.307 1.00 0.50 H new ATOM 0 HG LEU B 97 -1.078 9.439 -0.973 1.00 0.41 H new ATOM 0 HD11 LEU B 97 0.997 8.082 -1.026 1.00 0.55 H new ATOM 0 HD12 LEU B 97 1.219 9.548 -0.042 1.00 0.55 H new ATOM 0 HD13 LEU B 97 0.972 7.973 0.750 1.00 0.55 H new ATOM 0 HD21 LEU B 97 -1.235 6.972 -1.122 1.00 0.55 H new ATOM 0 HD22 LEU B 97 -1.250 6.864 0.655 1.00 0.55 H new ATOM 0 HD23 LEU B 97 -2.602 7.643 -0.201 1.00 0.55 H new ATOM 3087 N ASN B 98 -2.018 13.058 0.907 1.00 0.56 N ATOM 3088 CA ASN B 98 -3.126 13.985 1.268 1.00 0.63 C ATOM 3089 C ASN B 98 -4.171 14.004 0.153 1.00 0.61 C ATOM 3090 O ASN B 98 -3.856 14.204 -1.003 1.00 0.62 O ATOM 3091 CB ASN B 98 -2.577 15.397 1.465 1.00 0.73 C ATOM 3092 CG ASN B 98 -1.244 15.333 2.213 1.00 0.73 C ATOM 3093 OD1 ASN B 98 -0.991 14.312 2.985 1.00 0.83 O flip ATOM 3094 ND2 ASN B 98 -0.425 16.222 2.095 1.00 0.72 N flip ATOM 0 H ASN B 98 -1.384 13.397 0.184 1.00 0.56 H new ATOM 0 HA ASN B 98 -3.587 13.640 2.194 1.00 0.63 H new ATOM 0 HB2 ASN B 98 -2.440 15.882 0.499 1.00 0.73 H new ATOM 0 HB3 ASN B 98 -3.291 16.000 2.026 1.00 0.73 H new ATOM 0 HD21 ASN B 98 -0.622 17.020 1.492 1.00 0.72 H new ATOM 0 HD22 ASN B 98 0.460 16.170 2.599 1.00 0.72 H new ATOM 3101 N PHE B 99 -5.414 13.811 0.496 1.00 0.63 N ATOM 3102 CA PHE B 99 -6.488 13.828 -0.540 1.00 0.65 C ATOM 3103 C PHE B 99 -7.643 14.707 -0.056 1.00 0.78 C ATOM 3104 O PHE B 99 -7.378 15.821 0.364 1.00 1.33 O ATOM 3105 CB PHE B 99 -7.008 12.405 -0.804 1.00 0.59 C ATOM 3106 CG PHE B 99 -6.627 11.481 0.327 1.00 0.61 C ATOM 3107 CD1 PHE B 99 -5.395 10.819 0.311 1.00 0.96 C ATOM 3108 CD2 PHE B 99 -7.514 11.281 1.387 1.00 0.97 C ATOM 3109 CE1 PHE B 99 -5.052 9.958 1.360 1.00 1.05 C ATOM 3110 CE2 PHE B 99 -7.172 10.419 2.435 1.00 1.02 C ATOM 3111 CZ PHE B 99 -5.941 9.757 2.421 1.00 0.81 C ATOM 3112 OXT PHE B 99 -8.774 14.251 -0.113 1.00 1.28 O ATOM 0 H PHE B 99 -5.734 13.642 1.450 1.00 0.63 H new ATOM 0 HA PHE B 99 -6.076 14.228 -1.466 1.00 0.65 H new ATOM 0 HB2 PHE B 99 -8.092 12.423 -0.916 1.00 0.59 H new ATOM 0 HB3 PHE B 99 -6.597 12.030 -1.741 1.00 0.59 H new ATOM 0 HD1 PHE B 99 -4.709 10.972 -0.509 1.00 0.96 H new ATOM 0 HD2 PHE B 99 -8.465 11.792 1.398 1.00 0.97 H new ATOM 0 HE1 PHE B 99 -4.100 9.448 1.350 1.00 1.05 H new ATOM 0 HE2 PHE B 99 -7.859 10.265 3.254 1.00 1.02 H new ATOM 0 HZ PHE B 99 -5.676 9.091 3.229 1.00 0.81 H new TER 3122 PHE B 99 HETATM 3123 C1 DMP B 100 1.287 -5.837 -5.464 1.00 0.38 C HETATM 3124 C3 DMP B 100 1.251 -3.527 -6.458 1.00 0.40 C HETATM 3125 C4 DMP B 100 0.787 -2.658 -5.288 1.00 0.39 C HETATM 3126 C5 DMP B 100 1.431 -2.989 -3.963 1.00 0.38 C HETATM 3127 C6 DMP B 100 1.102 -4.379 -3.421 1.00 0.37 C HETATM 3128 C20 DMP B 100 0.174 -5.552 -7.522 1.00 0.41 C HETATM 3129 C21 DMP B 100 -1.001 -4.819 -8.030 1.00 0.43 C HETATM 3130 C22 DMP B 100 -1.388 -4.945 -9.353 1.00 0.50 C HETATM 3131 C23 DMP B 100 -2.492 -4.251 -9.821 1.00 0.54 C HETATM 3132 C24 DMP B 100 -3.207 -3.431 -8.963 1.00 0.50 C HETATM 3133 C25 DMP B 100 -2.820 -3.306 -7.643 1.00 0.45 C HETATM 3134 C26 DMP B 100 -1.718 -3.998 -7.176 1.00 0.42 C HETATM 3135 C27 DMP B 100 -4.403 -2.676 -9.462 1.00 0.56 C HETATM 3136 C30 DMP B 100 2.730 -3.475 -6.831 1.00 0.42 C HETATM 3137 C31 DMP B 100 2.947 -3.761 -8.294 1.00 0.46 C HETATM 3138 C32 DMP B 100 3.926 -4.664 -8.666 1.00 0.49 C HETATM 3139 C33 DMP B 100 4.131 -4.953 -9.998 1.00 0.53 C HETATM 3140 C34 DMP B 100 3.358 -4.339 -10.963 1.00 0.55 C HETATM 3141 C35 DMP B 100 2.377 -3.432 -10.596 1.00 0.55 C HETATM 3142 C36 DMP B 100 2.169 -3.144 -9.258 1.00 0.50 C HETATM 3143 C60 DMP B 100 -0.361 -4.687 -3.114 1.00 0.38 C HETATM 3144 C61 DMP B 100 -0.498 -5.706 -2.013 1.00 0.41 C HETATM 3145 C62 DMP B 100 -1.345 -6.783 -2.192 1.00 0.42 C HETATM 3146 C63 DMP B 100 -1.474 -7.737 -1.206 1.00 0.46 C HETATM 3147 C64 DMP B 100 -0.757 -7.616 -0.034 1.00 0.49 C HETATM 3148 C65 DMP B 100 0.093 -6.537 0.154 1.00 0.48 C HETATM 3149 C66 DMP B 100 0.224 -5.581 -0.839 1.00 0.44 C HETATM 3150 C70 DMP B 100 2.430 -6.530 -3.526 1.00 0.39 C HETATM 3151 C71 DMP B 100 3.539 -6.035 -2.689 1.00 0.41 C HETATM 3152 C72 DMP B 100 3.982 -6.770 -1.601 1.00 0.43 C HETATM 3153 C73 DMP B 100 5.028 -6.295 -0.826 1.00 0.46 C HETATM 3154 C74 DMP B 100 5.628 -5.086 -1.139 1.00 0.46 C HETATM 3155 C75 DMP B 100 5.185 -4.353 -2.224 1.00 0.44 C HETATM 3156 C76 DMP B 100 4.142 -4.826 -2.999 1.00 0.42 C HETATM 3157 C77 DMP B 100 6.761 -4.568 -0.303 1.00 0.49 C HETATM 3158 N2 DMP B 100 0.871 -4.957 -6.385 1.00 0.39 N HETATM 3159 N7 DMP B 100 1.633 -5.516 -4.210 1.00 0.37 N HETATM 3160 O1 DMP B 100 1.358 -7.013 -5.792 1.00 0.38 O HETATM 3161 O4 DMP B 100 1.044 -1.347 -5.643 1.00 0.41 O HETATM 3162 O5 DMP B 100 1.044 -2.084 -2.992 1.00 0.38 O HETATM 3163 O27 DMP B 100 -4.031 -1.843 -10.550 1.00 0.90 O HETATM 3164 O77 DMP B 100 6.275 -4.144 0.962 1.00 0.55 O HETATM 0 HO77 DMP B 100 6.974 -4.265 1.638 1.00 0.55 H new HETATM 0 HO27 DMP B 100 -4.828 -1.607 -11.069 1.00 0.90 H new HETATM 0 H772 DMP B 100 7.512 -5.347 -0.171 1.00 0.49 H new HETATM 0 H771 DMP B 100 7.249 -3.737 -0.812 1.00 0.49 H new HETATM 0 H702 DMP B 100 2.842 -7.204 -4.276 1.00 0.39 H new HETATM 0 H701 DMP B 100 1.764 -7.121 -2.897 1.00 0.39 H new HETATM 0 H602 DMP B 100 -0.873 -3.769 -2.826 1.00 0.38 H new HETATM 0 H601 DMP B 100 -0.852 -5.056 -4.015 1.00 0.38 H new HETATM 0 H302 DMP B 100 3.132 -2.491 -6.589 1.00 0.42 H new HETATM 0 H301 DMP B 100 3.282 -4.200 -6.233 1.00 0.42 H new HETATM 0 H272 DMP B 100 -5.179 -3.374 -9.776 1.00 0.56 H new HETATM 0 H271 DMP B 100 -4.824 -2.072 -8.658 1.00 0.56 H new HETATM 0 H202 DMP B 100 -0.145 -6.555 -7.240 1.00 0.41 H new HETATM 0 H201 DMP B 100 0.887 -5.663 -8.339 1.00 0.41 H new HETATM 0 HO5 DMP B 100 0.883 -1.210 -3.405 1.00 0.38 H new HETATM 0 HO4 DMP B 100 2.011 -1.218 -5.739 1.00 0.41 H new HETATM 0 H76 DMP B 100 3.794 -4.247 -3.855 1.00 0.42 H new HETATM 0 H75 DMP B 100 5.658 -3.402 -2.469 1.00 0.44 H new HETATM 0 H73 DMP B 100 5.379 -6.872 0.030 1.00 0.46 H new HETATM 0 H72 DMP B 100 3.508 -7.720 -1.355 1.00 0.43 H new HETATM 0 H66 DMP B 100 0.894 -4.733 -0.697 1.00 0.44 H new HETATM 0 H65 DMP B 100 0.657 -6.441 1.082 1.00 0.48 H new HETATM 0 H64 DMP B 100 -0.859 -8.370 0.746 1.00 0.49 H new HETATM 0 H63 DMP B 100 -2.142 -8.586 -1.352 1.00 0.46 H new HETATM 0 H62 DMP B 100 -1.914 -6.878 -3.117 1.00 0.42 H new HETATM 0 H6 DMP B 100 1.634 -4.297 -2.473 1.00 0.37 H new HETATM 0 H5 DMP B 100 2.500 -2.947 -4.171 1.00 0.38 H new HETATM 0 H4 DMP B 100 -0.274 -2.845 -5.121 1.00 0.39 H new HETATM 0 H36 DMP B 100 1.396 -2.434 -8.965 1.00 0.50 H new HETATM 0 H35 DMP B 100 1.770 -2.946 -11.360 1.00 0.55 H new HETATM 0 H34 DMP B 100 3.520 -4.568 -12.016 1.00 0.55 H new HETATM 0 H33 DMP B 100 4.903 -5.666 -10.289 1.00 0.53 H new HETATM 0 H32 DMP B 100 4.537 -5.148 -7.904 1.00 0.49 H new HETATM 0 H3 DMP B 100 0.686 -3.026 -7.244 1.00 0.40 H new HETATM 0 H26 DMP B 100 -1.413 -3.897 -6.134 1.00 0.42 H new HETATM 0 H25 DMP B 100 -3.384 -2.661 -6.969 1.00 0.45 H new HETATM 0 H23 DMP B 100 -2.798 -4.350 -10.863 1.00 0.54 H new HETATM 0 H22 DMP B 100 -0.824 -5.590 -10.027 1.00 0.50 H new CONECT 3123 3158 3159 3160 CONECT 3124 3125 3136 3158 3165 CONECT 3125 3124 3126 3161 3166 CONECT 3126 3125 3127 3162 3167 CONECT 3127 3126 3143 3159 3168 CONECT 3128 3129 3158 3169 3170 CONECT 3129 3128 3130 3134 CONECT 3130 3129 3131 3171 CONECT 3131 3130 3132 3172 CONECT 3132 3131 3133 3135 CONECT 3133 3132 3134 3173 CONECT 3134 3129 3133 3174 CONECT 3135 3132 3163 3175 3176 CONECT 3136 3124 3137 3177 3178 CONECT 3137 3136 3138 3142 CONECT 3138 3137 3139 3179 CONECT 3139 3138 3140 3180 CONECT 3140 3139 3141 3181 CONECT 3141 3140 3142 3182 CONECT 3142 3137 3141 3183 CONECT 3143 3127 3144 3184 3185 CONECT 3144 3143 3145 3149 CONECT 3145 3144 3146 3186 CONECT 3146 3145 3147 3187 CONECT 3147 3146 3148 3188 CONECT 3148 3147 3149 3189 CONECT 3149 3144 3148 3190 CONECT 3150 3151 3159 3191 3192 CONECT 3151 3150 3152 3156 CONECT 3152 3151 3153 3193 CONECT 3153 3152 3154 3194 CONECT 3154 3153 3155 3157 CONECT 3155 3154 3156 3195 CONECT 3156 3151 3155 3196 CONECT 3157 3154 3164 3197 3198 CONECT 3158 3123 3124 3128 CONECT 3159 3123 3127 3150 CONECT 3160 3123 CONECT 3161 3125 3199 CONECT 3162 3126 3200 CONECT 3163 3135 3201 CONECT 3164 3157 3202 CONECT 3165 3124 CONECT 3166 3125 CONECT 3167 3126 CONECT 3168 3127 CONECT 3169 3128 CONECT 3170 3128 CONECT 3171 3130 CONECT 3172 3131 CONECT 3173 3133 CONECT 3174 3134 CONECT 3175 3135 CONECT 3176 3135 CONECT 3177 3136 CONECT 3178 3136 CONECT 3179 3138 CONECT 3180 3139 CONECT 3181 3140 CONECT 3182 3141 CONECT 3183 3142 CONECT 3184 3143 CONECT 3185 3143 CONECT 3186 3145 CONECT 3187 3146 CONECT 3188 3147 CONECT 3189 3148 CONECT 3190 3149 CONECT 3191 3150 CONECT 3192 3150 CONECT 3193 3152 CONECT 3194 3153 CONECT 3195 3155 CONECT 3196 3156 CONECT 3197 3157 CONECT 3198 3157 CONECT 3199 3161 CONECT 3200 3162 CONECT 3201 3163 CONECT 3202 3164 END