USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) HEADER CALCIUM-BINDING PROTEIN 15-APR-97 1TBN TITLE NMR STRUCTURE OF A PROTEIN KINASE C-G PHORBOL-BINDING TITLE 2 DOMAIN, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN KINASE C, GAMMA TYPE; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: CYS2 DOMAIN; COMPND 5 SYNONYM: RAT BRAIN PKC-G; COMPND 6 EC: 2.7.1.-; COMPND 7 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; SOURCE 3 ORGANISM_COMMON: BLACK RAT; SOURCE 4 ORGANISM_TAXID: 10117; SOURCE 5 ORGAN: BRAIN; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 511693; SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21 KEYWDS CALCIUM-BINDING PROTEIN, PROTEIN KINASE C, PKC, TRANSFERASE EXPDTA SOLUTION NMR AUTHOR R.X.XU,T.PAWELCZYK,T.XIA,S.C.BROWN REVDAT 2 24-FEB-09 1TBN 1 VERSN REVDAT 1 29-APR-98 1TBN 0 JRNL AUTH R.X.XU,T.PAWELCZYK,T.H.XIA,S.C.BROWN JRNL TITL NMR STRUCTURE OF A PROTEIN KINASE C-GAMMA JRNL TITL 2 PHORBOL-BINDING DOMAIN AND STUDY OF PROTEIN-LIPID JRNL TITL 3 MICELLE INTERACTIONS. JRNL REF BIOCHEMISTRY V. 36 10709 1997 JRNL REFN ISSN 0006-2960 JRNL PMID 9271501 JRNL DOI 10.1021/BI970833A REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH G.ZHANG,M.G.KAZANIETZ,P.M.BLUMBERG,J.H.HURLEY REMARK 1 TITL CRYSTAL STRUCTURE OF THE CYS2 ACTIVATOR-BINDING REMARK 1 TITL 2 DOMAIN OF PROTEIN KINASE C DELTA IN COMPLEX WITH REMARK 1 TITL 3 PHORBOL ESTER REMARK 1 REF CELL(CAMBRIDGE,MASS.) V. 81 917 1995 REMARK 1 REFN ISSN 0092-8674 REMARK 1 REFERENCE 2 REMARK 1 AUTH S.ICHIKAWA,H.HATANAKA,Y.TAKEUCHI,S.OHNO,F.INAGAKI REMARK 1 TITL SOLUTION STRUCTURE OF CYSTEINE-RICH DOMAIN OF REMARK 1 TITL 2 PROTEIN KINASE C ALPHA REMARK 1 REF J.BIOCHEM.(TOKYO) V. 117 566 1995 REMARK 1 REFN ISSN 0021-924X REMARK 1 REFERENCE 3 REMARK 1 AUTH U.HOMMEL,M.ZURINI,M.LUYTEN REMARK 1 TITL SOLUTION STRUCTURE OF A CYSTEINE RICH DOMAIN OF REMARK 1 TITL 2 RAT PROTEIN KINASE C REMARK 1 REF NAT.STRUCT.BIOL. V. 1 383 1994 REMARK 1 REFN ISSN 1072-8368 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1TBN 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 : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : UNITY_PLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : DG-SA REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 1 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 GLY A 92 REMARK 465 PRO A 93 REMARK 465 GLY A 160 REMARK 465 ARG A 161 REMARK 465 LEU A 162 REMARK 465 GLN A 163 REMARK 465 LEU A 164 REMARK 465 GLU A 165 REMARK 465 ILE A 166 REMARK 465 ARG A 167 REMARK 465 ALA A 168 REMARK 465 PRO A 169 REMARK 465 THR A 170 REMARK 465 SER A 171 REMARK 465 ASP A 172 REMARK 465 GLU A 173 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 ASP A 97 63.29 -157.83 REMARK 500 ARG A 99 56.63 -99.71 REMARK 500 ASN A 100 39.79 -93.87 REMARK 500 SER A 108 53.25 -140.36 REMARK 500 SER A 110 -33.33 178.90 REMARK 500 TYR A 123 -178.62 -50.20 REMARK 500 HIS A 127 95.49 -44.38 REMARK 500 GLN A 128 -144.53 67.39 REMARK 500 SER A 133 44.97 -84.40 REMARK 500 CYS A 134 -39.44 -148.70 REMARK 500 GLU A 136 80.25 70.66 REMARK 500 PRO A 148 40.81 -80.58 REMARK 500 SER A 149 74.65 44.15 REMARK 500 LEU A 150 55.38 -101.71 REMARK 500 ASP A 154 -90.27 -55.17 REMARK 500 HIS A 155 -170.25 163.62 REMARK 500 GLU A 157 170.97 -45.76 REMARK 500 ARG A 158 56.52 -105.98 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 99 0.11 SIDE_CHAIN REMARK 500 ARG A 105 0.10 SIDE_CHAIN REMARK 500 ARG A 141 0.31 SIDE_CHAIN REMARK 500 ARG A 142 0.17 SIDE_CHAIN REMARK 500 ARG A 145 0.20 SIDE_CHAIN REMARK 500 ARG A 158 0.26 SIDE_CHAIN REMARK 500 ARG A 159 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 620 REMARK 620 METAL COORDINATION REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 1 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 102 ND1 REMARK 620 2 CYS A 132 SG 117.6 REMARK 620 3 CYS A 135 SG 112.3 109.6 REMARK 620 4 CYS A 151 SG 93.8 99.9 123.1 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 2 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 115 SG REMARK 620 2 CYS A 118 SG 85.4 REMARK 620 3 HIS A 140 ND1 97.9 88.9 REMARK 620 4 CYS A 143 SG 133.8 124.1 115.4 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 1 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 2 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TBO RELATED DB: PDB DBREF 1TBN A 92 173 UNP P05697 KPCG_MOUSE 91 172 SEQRES 1 A 82 GLY PRO GLN THR ASP ASP PRO ARG ASN LYS HIS LYS PHE SEQRES 2 A 82 ARG LEU HIS SER TYR SER SER PRO THR PHE CYS ASP HIS SEQRES 3 A 82 CYS GLY SER LEU LEU TYR GLY LEU VAL HIS GLN GLY MET SEQRES 4 A 82 LYS CYS SER CYS CYS GLU MET ASN VAL HIS ARG ARG CYS SEQRES 5 A 82 VAL ARG SER VAL PRO SER LEU CYS GLY VAL ASP HIS THR SEQRES 6 A 82 GLU ARG ARG GLY ARG LEU GLN LEU GLU ILE ARG ALA PRO SEQRES 7 A 82 THR SER ASP GLU HET ZN A 1 1 HET ZN A 2 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) SHEET 1 A 2 PHE A 104 LEU A 106 0 SHEET 2 A 2 MET A 130 CYS A 132 -1 N LYS A 131 O ARG A 105 LINK ZN ZN A 1 ND1 HIS A 102 1555 1555 2.00 LINK ZN ZN A 1 SG CYS A 132 1555 1555 2.30 LINK ZN ZN A 1 SG CYS A 135 1555 1555 2.30 LINK ZN ZN A 1 SG CYS A 151 1555 1555 2.30 LINK ZN ZN A 2 SG CYS A 115 1555 1555 2.30 LINK ZN ZN A 2 SG CYS A 118 1555 1555 2.30 LINK ZN ZN A 2 ND1 HIS A 140 1555 1555 2.00 LINK ZN ZN A 2 SG CYS A 143 1555 1555 2.30 SITE *** AC1 4 HIS A 102 CYS A 132 CYS A 135 CYS A 151 SITE *** AC2 4 CYS A 115 CYS A 118 HIS A 140 CYS A 143 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 102 HIS HD1 : A 102 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 140 HIS HD1 : A 140 HIS ND1 : A 2 ZNZN :(H bumps) USER MOD Set 1.1: A 127 HIS : no HD1:sc= -0.123 K(o=-7,f=-3.7) USER MOD Set 1.2: A 128 GLN : amide:sc= -6.88! C(o=-7!,f=-3.7!) USER MOD Set 2.1: A 110 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 111 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 107 HIS : no HD1:sc= -2.63! C(o=-2.6!,f=-11!) USER MOD Set 3.2: A 109 TYR OH : rot 15:sc= 0.0478 USER MOD Single : A 94 GLN : amide:sc= -0.0251 X(o=-0.025,f=-0.048) USER MOD Single : A 95 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 100 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0143 USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 HIS : no HD1:sc= -2.19 K(o=-2.2,f=-3.1!) USER MOD Single : A 120 SER OG : rot 87:sc= -0.0106 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 MET CE :methyl 180:sc= -0.273 (180deg=-0.273) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 CYS SG : rot 36:sc= 0.0331 USER MOD Single : A 137 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 138 ASN : amide:sc= -0.0314 K(o=-0.031,f=-1.6) USER MOD Single : A 146 SER OG : rot 180:sc= 0 USER MOD Single : A 149 SER OG : rot 61:sc= -0.47! USER MOD Single : A 155 HIS : no HD1:sc= -2.75! C(o=-2.8!,f=-2.6!) USER MOD Single : A 156 THR OG1 : rot -6:sc= 0.42! USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 94 -18.645 18.987 -4.271 1.00 8.34 N ATOM 2 CA GLN A 94 -17.565 18.078 -4.747 1.00 7.93 C ATOM 3 C GLN A 94 -17.981 16.624 -4.514 1.00 7.43 C ATOM 4 O GLN A 94 -17.284 15.864 -3.871 1.00 7.73 O ATOM 5 CB GLN A 94 -16.276 18.369 -3.975 1.00 8.35 C ATOM 6 CG GLN A 94 -16.137 19.878 -3.765 1.00 9.01 C ATOM 7 CD GLN A 94 -16.493 20.228 -2.319 1.00 9.65 C ATOM 8 OE1 GLN A 94 -15.788 19.859 -1.401 1.00 10.03 O ATOM 9 NE2 GLN A 94 -17.565 20.931 -2.075 1.00 10.02 N ATOM 0 HA GLN A 94 -17.396 18.241 -5.811 1.00 7.93 H new ATOM 0 HB2 GLN A 94 -16.292 17.857 -3.013 1.00 8.35 H new ATOM 0 HB3 GLN A 94 -15.416 17.987 -4.525 1.00 8.35 H new ATOM 0 HG2 GLN A 94 -15.118 20.194 -3.986 1.00 9.01 H new ATOM 0 HG3 GLN A 94 -16.793 20.413 -4.452 1.00 9.01 H new ATOM 0 HE21 GLN A 94 -18.158 21.241 -2.845 1.00 10.02 H new ATOM 0 HE22 GLN A 94 -17.810 21.170 -1.114 1.00 10.02 H new ATOM 17 N THR A 95 -19.113 16.231 -5.030 1.00 6.96 N ATOM 18 CA THR A 95 -19.573 14.827 -4.838 1.00 6.80 C ATOM 19 C THR A 95 -18.562 13.868 -5.468 1.00 6.32 C ATOM 20 O THR A 95 -18.106 12.931 -4.843 1.00 6.42 O ATOM 21 CB THR A 95 -20.938 14.641 -5.505 1.00 6.98 C ATOM 22 OG1 THR A 95 -20.759 14.471 -6.905 1.00 6.72 O ATOM 23 CG2 THR A 95 -21.808 15.871 -5.245 1.00 7.62 C ATOM 0 H THR A 95 -19.740 16.822 -5.577 1.00 6.96 H new ATOM 0 HA THR A 95 -19.658 14.616 -3.772 1.00 6.80 H new ATOM 0 HB THR A 95 -21.428 13.760 -5.091 1.00 6.98 H new ATOM 0 HG1 THR A 95 -21.632 14.350 -7.334 1.00 6.72 H new ATOM 0 HG21 THR A 95 -22.779 15.737 -5.721 1.00 7.62 H new ATOM 0 HG22 THR A 95 -21.944 16.000 -4.171 1.00 7.62 H new ATOM 0 HG23 THR A 95 -21.321 16.755 -5.657 1.00 7.62 H new ATOM 31 N ASP A 96 -18.207 14.094 -6.704 1.00 6.09 N ATOM 32 CA ASP A 96 -17.225 13.195 -7.374 1.00 5.85 C ATOM 33 C ASP A 96 -16.041 12.943 -6.438 1.00 5.36 C ATOM 34 O ASP A 96 -15.274 13.836 -6.138 1.00 5.69 O ATOM 35 CB ASP A 96 -16.726 13.854 -8.661 1.00 6.36 C ATOM 36 CG ASP A 96 -15.579 13.028 -9.247 1.00 6.77 C ATOM 37 OD1 ASP A 96 -15.856 11.987 -9.819 1.00 7.18 O ATOM 38 OD2 ASP A 96 -14.443 13.451 -9.112 1.00 6.97 O ATOM 0 H ASP A 96 -18.555 14.862 -7.278 1.00 6.09 H new ATOM 0 HA ASP A 96 -17.706 12.247 -7.614 1.00 5.85 H new ATOM 0 HB2 ASP A 96 -17.540 13.929 -9.383 1.00 6.36 H new ATOM 0 HB3 ASP A 96 -16.388 14.870 -8.455 1.00 6.36 H new ATOM 43 N ASP A 97 -15.886 11.733 -5.974 1.00 4.87 N ATOM 44 CA ASP A 97 -14.752 11.426 -5.059 1.00 4.59 C ATOM 45 C ASP A 97 -14.456 9.924 -5.100 1.00 4.03 C ATOM 46 O ASP A 97 -14.591 9.240 -4.105 1.00 4.00 O ATOM 47 CB ASP A 97 -15.123 11.834 -3.631 1.00 4.94 C ATOM 48 CG ASP A 97 -14.222 12.985 -3.179 1.00 5.41 C ATOM 49 OD1 ASP A 97 -13.111 13.071 -3.675 1.00 5.79 O ATOM 50 OD2 ASP A 97 -14.659 13.759 -2.344 1.00 5.78 O ATOM 0 H ASP A 97 -16.496 10.944 -6.189 1.00 4.87 H new ATOM 0 HA ASP A 97 -13.869 11.980 -5.377 1.00 4.59 H new ATOM 0 HB2 ASP A 97 -16.169 12.138 -3.588 1.00 4.94 H new ATOM 0 HB3 ASP A 97 -15.011 10.984 -2.958 1.00 4.94 H new ATOM 55 N PRO A 98 -14.059 9.457 -6.256 1.00 4.02 N ATOM 56 CA PRO A 98 -13.732 8.037 -6.471 1.00 3.77 C ATOM 57 C PRO A 98 -12.343 7.718 -5.910 1.00 3.19 C ATOM 58 O PRO A 98 -11.396 7.524 -6.645 1.00 3.53 O ATOM 59 CB PRO A 98 -13.754 7.890 -7.994 1.00 4.53 C ATOM 60 CG PRO A 98 -13.528 9.308 -8.573 1.00 5.06 C ATOM 61 CD PRO A 98 -13.900 10.303 -7.458 1.00 4.74 C ATOM 0 HA PRO A 98 -14.423 7.357 -5.973 1.00 3.77 H new ATOM 0 HB2 PRO A 98 -12.975 7.205 -8.329 1.00 4.53 H new ATOM 0 HB3 PRO A 98 -14.706 7.480 -8.331 1.00 4.53 H new ATOM 0 HG2 PRO A 98 -12.491 9.440 -8.880 1.00 5.06 H new ATOM 0 HG3 PRO A 98 -14.145 9.468 -9.457 1.00 5.06 H new ATOM 0 HD2 PRO A 98 -13.122 11.053 -7.317 1.00 4.74 H new ATOM 0 HD3 PRO A 98 -14.820 10.839 -7.693 1.00 4.74 H new ATOM 69 N ARG A 99 -12.216 7.663 -4.612 1.00 2.86 N ATOM 70 CA ARG A 99 -10.890 7.357 -4.006 1.00 2.77 C ATOM 71 C ARG A 99 -10.840 5.882 -3.605 1.00 2.28 C ATOM 72 O ARG A 99 -10.597 5.547 -2.462 1.00 2.65 O ATOM 73 CB ARG A 99 -10.681 8.231 -2.767 1.00 3.61 C ATOM 74 CG ARG A 99 -11.765 7.918 -1.733 1.00 4.31 C ATOM 75 CD ARG A 99 -12.669 9.139 -1.556 1.00 5.35 C ATOM 76 NE ARG A 99 -13.569 8.925 -0.388 1.00 6.16 N ATOM 77 CZ ARG A 99 -14.726 8.344 -0.553 1.00 7.03 C ATOM 78 NH1 ARG A 99 -14.939 7.601 -1.605 1.00 7.62 N ATOM 79 NH2 ARG A 99 -15.670 8.506 0.333 1.00 7.56 N ATOM 0 H ARG A 99 -12.973 7.817 -3.946 1.00 2.86 H new ATOM 0 HA ARG A 99 -10.103 7.562 -4.732 1.00 2.77 H new ATOM 0 HB2 ARG A 99 -9.694 8.048 -2.342 1.00 3.61 H new ATOM 0 HB3 ARG A 99 -10.719 9.285 -3.042 1.00 3.61 H new ATOM 0 HG2 ARG A 99 -12.354 7.060 -2.057 1.00 4.31 H new ATOM 0 HG3 ARG A 99 -11.308 7.650 -0.781 1.00 4.31 H new ATOM 0 HD2 ARG A 99 -12.065 10.033 -1.404 1.00 5.35 H new ATOM 0 HD3 ARG A 99 -13.259 9.302 -2.458 1.00 5.35 H new ATOM 0 HE ARG A 99 -13.281 9.233 0.541 1.00 6.16 H new ATOM 0 HH11 ARG A 99 -14.201 7.475 -2.298 1.00 7.62 H new ATOM 0 HH12 ARG A 99 -15.843 7.147 -1.734 1.00 7.62 H new ATOM 0 HH21 ARG A 99 -15.504 9.087 1.155 1.00 7.56 H new ATOM 0 HH22 ARG A 99 -16.574 8.052 0.204 1.00 7.56 H new ATOM 93 N ASN A 100 -11.067 4.996 -4.536 1.00 1.98 N ATOM 94 CA ASN A 100 -11.033 3.543 -4.207 1.00 2.01 C ATOM 95 C ASN A 100 -9.636 2.988 -4.495 1.00 1.55 C ATOM 96 O ASN A 100 -9.485 1.892 -4.996 1.00 1.61 O ATOM 97 CB ASN A 100 -12.063 2.802 -5.063 1.00 2.77 C ATOM 98 CG ASN A 100 -13.429 2.851 -4.376 1.00 3.27 C ATOM 99 OD1 ASN A 100 -13.671 3.696 -3.537 1.00 3.66 O ATOM 100 ND2 ASN A 100 -14.339 1.973 -4.698 1.00 3.68 N ATOM 0 H ASN A 100 -11.275 5.216 -5.510 1.00 1.98 H new ATOM 0 HA ASN A 100 -11.269 3.403 -3.152 1.00 2.01 H new ATOM 0 HB2 ASN A 100 -12.125 3.257 -6.051 1.00 2.77 H new ATOM 0 HB3 ASN A 100 -11.754 1.767 -5.208 1.00 2.77 H new ATOM 0 HD21 ASN A 100 -15.253 1.996 -4.246 1.00 3.68 H new ATOM 0 HD22 ASN A 100 -14.136 1.263 -5.402 1.00 3.68 H new ATOM 107 N LYS A 101 -8.613 3.737 -4.183 1.00 1.39 N ATOM 108 CA LYS A 101 -7.228 3.250 -4.440 1.00 1.05 C ATOM 109 C LYS A 101 -6.559 2.889 -3.113 1.00 0.80 C ATOM 110 O LYS A 101 -7.142 3.025 -2.055 1.00 0.90 O ATOM 111 CB LYS A 101 -6.423 4.350 -5.136 1.00 1.32 C ATOM 112 CG LYS A 101 -7.270 4.979 -6.245 1.00 1.66 C ATOM 113 CD LYS A 101 -6.518 6.164 -6.853 1.00 2.12 C ATOM 114 CE LYS A 101 -7.495 7.040 -7.639 1.00 2.83 C ATOM 115 NZ LYS A 101 -7.039 7.146 -9.054 1.00 3.31 N ATOM 0 H LYS A 101 -8.677 4.664 -3.762 1.00 1.39 H new ATOM 0 HA LYS A 101 -7.265 2.367 -5.078 1.00 1.05 H new ATOM 0 HB2 LYS A 101 -6.127 5.111 -4.414 1.00 1.32 H new ATOM 0 HB3 LYS A 101 -5.506 3.935 -5.555 1.00 1.32 H new ATOM 0 HG2 LYS A 101 -7.487 4.239 -7.015 1.00 1.66 H new ATOM 0 HG3 LYS A 101 -8.227 5.310 -5.842 1.00 1.66 H new ATOM 0 HD2 LYS A 101 -6.042 6.748 -6.066 1.00 2.12 H new ATOM 0 HD3 LYS A 101 -5.725 5.807 -7.509 1.00 2.12 H new ATOM 0 HE2 LYS A 101 -8.497 6.612 -7.600 1.00 2.83 H new ATOM 0 HE3 LYS A 101 -7.554 8.031 -7.189 1.00 2.83 H new ATOM 0 HZ1 LYS A 101 -7.703 7.742 -9.589 1.00 3.31 H new ATOM 0 HZ2 LYS A 101 -6.091 7.573 -9.082 1.00 3.31 H new ATOM 0 HZ3 LYS A 101 -7.004 6.198 -9.480 1.00 3.31 H new ATOM 129 N HIS A 102 -5.339 2.428 -3.158 1.00 0.64 N ATOM 130 CA HIS A 102 -4.635 2.057 -1.898 1.00 0.44 C ATOM 131 C HIS A 102 -4.195 3.324 -1.163 1.00 0.44 C ATOM 132 O HIS A 102 -3.722 4.269 -1.763 1.00 0.71 O ATOM 133 CB HIS A 102 -3.397 1.218 -2.227 1.00 0.56 C ATOM 134 CG HIS A 102 -3.800 -0.002 -3.006 1.00 0.47 C ATOM 135 ND1 HIS A 102 -4.412 -1.092 -2.410 1.00 0.44 N ATOM 136 CD2 HIS A 102 -3.676 -0.321 -4.335 1.00 0.51 C ATOM 137 CE1 HIS A 102 -4.631 -2.010 -3.370 1.00 0.47 C ATOM 138 NE2 HIS A 102 -4.201 -1.590 -4.563 1.00 0.52 N ATOM 0 H HIS A 102 -4.799 2.292 -4.013 1.00 0.64 H new ATOM 0 HA HIS A 102 -5.313 1.481 -1.268 1.00 0.44 H new ATOM 0 HB2 HIS A 102 -2.688 1.811 -2.804 1.00 0.56 H new ATOM 0 HB3 HIS A 102 -2.892 0.923 -1.307 1.00 0.56 H new ATOM 0 HD2 HIS A 102 -3.238 0.316 -5.089 1.00 0.51 H new ATOM 0 HE1 HIS A 102 -5.097 -2.969 -3.197 1.00 0.47 H new ATOM 0 HE2 HIS A 102 -4.247 -2.091 -5.450 1.00 0.52 H new ATOM 145 N LYS A 103 -4.335 3.347 0.134 1.00 0.36 N ATOM 146 CA LYS A 103 -3.911 4.547 0.907 1.00 0.37 C ATOM 147 C LYS A 103 -2.444 4.380 1.307 1.00 0.33 C ATOM 148 O LYS A 103 -2.083 4.520 2.458 1.00 0.32 O ATOM 149 CB LYS A 103 -4.773 4.677 2.165 1.00 0.43 C ATOM 150 CG LYS A 103 -5.965 5.591 1.876 1.00 0.90 C ATOM 151 CD LYS A 103 -6.658 5.957 3.190 1.00 1.17 C ATOM 152 CE LYS A 103 -7.879 6.831 2.899 1.00 1.79 C ATOM 153 NZ LYS A 103 -7.913 7.972 3.857 1.00 2.49 N ATOM 0 H LYS A 103 -4.725 2.587 0.691 1.00 0.36 H new ATOM 0 HA LYS A 103 -4.031 5.443 0.298 1.00 0.37 H new ATOM 0 HB2 LYS A 103 -5.123 3.695 2.482 1.00 0.43 H new ATOM 0 HB3 LYS A 103 -4.180 5.083 2.984 1.00 0.43 H new ATOM 0 HG2 LYS A 103 -5.629 6.494 1.366 1.00 0.90 H new ATOM 0 HG3 LYS A 103 -6.667 5.091 1.209 1.00 0.90 H new ATOM 0 HD2 LYS A 103 -6.963 5.053 3.717 1.00 1.17 H new ATOM 0 HD3 LYS A 103 -5.965 6.488 3.843 1.00 1.17 H new ATOM 0 HE2 LYS A 103 -7.838 7.203 1.875 1.00 1.79 H new ATOM 0 HE3 LYS A 103 -8.791 6.241 2.987 1.00 1.79 H new ATOM 0 HZ1 LYS A 103 -8.743 8.567 3.659 1.00 2.49 H new ATOM 0 HZ2 LYS A 103 -7.972 7.607 4.829 1.00 2.49 H new ATOM 0 HZ3 LYS A 103 -7.048 8.539 3.752 1.00 2.49 H new ATOM 167 N PHE A 104 -1.601 4.070 0.358 1.00 0.34 N ATOM 168 CA PHE A 104 -0.155 3.879 0.664 1.00 0.35 C ATOM 169 C PHE A 104 0.311 4.938 1.664 1.00 0.35 C ATOM 170 O PHE A 104 -0.024 6.101 1.556 1.00 0.52 O ATOM 171 CB PHE A 104 0.659 4.005 -0.625 1.00 0.54 C ATOM 172 CG PHE A 104 0.233 2.932 -1.599 1.00 0.35 C ATOM 173 CD1 PHE A 104 0.301 1.582 -1.228 1.00 1.25 C ATOM 174 CD2 PHE A 104 -0.226 3.285 -2.875 1.00 1.25 C ATOM 175 CE1 PHE A 104 -0.091 0.586 -2.133 1.00 1.21 C ATOM 176 CE2 PHE A 104 -0.617 2.290 -3.779 1.00 1.35 C ATOM 177 CZ PHE A 104 -0.550 0.940 -3.409 1.00 0.55 C ATOM 0 H PHE A 104 -1.855 3.940 -0.621 1.00 0.34 H new ATOM 0 HA PHE A 104 -0.009 2.889 1.096 1.00 0.35 H new ATOM 0 HB2 PHE A 104 0.511 4.991 -1.066 1.00 0.54 H new ATOM 0 HB3 PHE A 104 1.723 3.911 -0.406 1.00 0.54 H new ATOM 0 HD1 PHE A 104 0.655 1.309 -0.245 1.00 1.25 H new ATOM 0 HD2 PHE A 104 -0.278 4.325 -3.161 1.00 1.25 H new ATOM 0 HE1 PHE A 104 -0.039 -0.454 -1.847 1.00 1.21 H new ATOM 0 HE2 PHE A 104 -0.971 2.563 -4.762 1.00 1.35 H new ATOM 0 HZ PHE A 104 -0.852 0.173 -4.107 1.00 0.55 H new ATOM 187 N ARG A 105 1.085 4.542 2.637 1.00 0.27 N ATOM 188 CA ARG A 105 1.578 5.520 3.646 1.00 0.36 C ATOM 189 C ARG A 105 2.975 5.103 4.108 1.00 0.30 C ATOM 190 O ARG A 105 3.142 4.116 4.797 1.00 0.29 O ATOM 191 CB ARG A 105 0.627 5.541 4.844 1.00 0.47 C ATOM 192 CG ARG A 105 0.601 6.944 5.454 1.00 1.11 C ATOM 193 CD ARG A 105 -0.505 7.022 6.508 1.00 1.45 C ATOM 194 NE ARG A 105 -0.936 8.439 6.671 1.00 2.05 N ATOM 195 CZ ARG A 105 -1.677 8.783 7.689 1.00 2.69 C ATOM 196 NH1 ARG A 105 -2.352 7.876 8.341 1.00 3.42 N ATOM 197 NH2 ARG A 105 -1.742 10.034 8.056 1.00 3.17 N ATOM 0 H ARG A 105 1.398 3.581 2.776 1.00 0.27 H new ATOM 0 HA ARG A 105 1.621 6.515 3.203 1.00 0.36 H new ATOM 0 HB2 ARG A 105 -0.376 5.251 4.530 1.00 0.47 H new ATOM 0 HB3 ARG A 105 0.950 4.815 5.590 1.00 0.47 H new ATOM 0 HG2 ARG A 105 1.566 7.173 5.906 1.00 1.11 H new ATOM 0 HG3 ARG A 105 0.429 7.687 4.676 1.00 1.11 H new ATOM 0 HD2 ARG A 105 -1.352 6.405 6.208 1.00 1.45 H new ATOM 0 HD3 ARG A 105 -0.145 6.628 7.459 1.00 1.45 H new ATOM 0 HE ARG A 105 -0.652 9.140 5.987 1.00 2.05 H new ATOM 0 HH11 ARG A 105 -2.300 6.898 8.055 1.00 3.42 H new ATOM 0 HH12 ARG A 105 -2.931 8.145 9.137 1.00 3.42 H new ATOM 0 HH21 ARG A 105 -1.214 10.743 7.547 1.00 3.17 H new ATOM 0 HH22 ARG A 105 -2.321 10.303 8.852 1.00 3.17 H new ATOM 211 N LEU A 106 3.981 5.844 3.734 1.00 0.32 N ATOM 212 CA LEU A 106 5.363 5.486 4.152 1.00 0.34 C ATOM 213 C LEU A 106 5.393 5.276 5.667 1.00 0.30 C ATOM 214 O LEU A 106 4.947 6.110 6.430 1.00 0.36 O ATOM 215 CB LEU A 106 6.322 6.614 3.764 1.00 0.45 C ATOM 216 CG LEU A 106 6.115 7.808 4.695 1.00 0.49 C ATOM 217 CD1 LEU A 106 7.053 8.945 4.287 1.00 0.63 C ATOM 218 CD2 LEU A 106 4.665 8.285 4.601 1.00 0.47 C ATOM 0 H LEU A 106 3.905 6.682 3.157 1.00 0.32 H new ATOM 0 HA LEU A 106 5.672 4.567 3.654 1.00 0.34 H new ATOM 0 HB2 LEU A 106 7.353 6.266 3.827 1.00 0.45 H new ATOM 0 HB3 LEU A 106 6.149 6.912 2.730 1.00 0.45 H new ATOM 0 HG LEU A 106 6.333 7.508 5.720 1.00 0.49 H new ATOM 0 HD11 LEU A 106 6.904 9.796 4.952 1.00 0.63 H new ATOM 0 HD12 LEU A 106 8.087 8.607 4.357 1.00 0.63 H new ATOM 0 HD13 LEU A 106 6.837 9.244 3.261 1.00 0.63 H new ATOM 0 HD21 LEU A 106 4.518 9.137 5.265 1.00 0.47 H new ATOM 0 HD22 LEU A 106 4.446 8.583 3.576 1.00 0.47 H new ATOM 0 HD23 LEU A 106 3.996 7.476 4.895 1.00 0.47 H new ATOM 230 N HIS A 107 5.911 4.165 6.108 1.00 0.34 N ATOM 231 CA HIS A 107 5.966 3.897 7.573 1.00 0.39 C ATOM 232 C HIS A 107 7.383 4.154 8.088 1.00 0.40 C ATOM 233 O HIS A 107 8.262 4.548 7.347 1.00 0.46 O ATOM 234 CB HIS A 107 5.582 2.441 7.838 1.00 0.49 C ATOM 235 CG HIS A 107 4.359 2.396 8.713 1.00 1.47 C ATOM 236 ND1 HIS A 107 3.212 1.711 8.345 1.00 2.22 N ATOM 237 CD2 HIS A 107 4.090 2.945 9.943 1.00 2.53 C ATOM 238 CE1 HIS A 107 2.313 1.864 9.335 1.00 3.13 C ATOM 239 NE2 HIS A 107 2.797 2.607 10.333 1.00 3.36 N ATOM 0 H HIS A 107 6.299 3.430 5.518 1.00 0.34 H new ATOM 0 HA HIS A 107 5.269 4.557 8.089 1.00 0.39 H new ATOM 0 HB2 HIS A 107 5.387 1.928 6.896 1.00 0.49 H new ATOM 0 HB3 HIS A 107 6.407 1.918 8.321 1.00 0.49 H new ATOM 0 HD2 HIS A 107 4.777 3.547 10.520 1.00 2.53 H new ATOM 0 HE1 HIS A 107 1.321 1.438 9.323 1.00 3.13 H new ATOM 0 HE2 HIS A 107 2.321 2.870 11.196 1.00 3.36 H new ATOM 247 N SER A 108 7.611 3.937 9.354 1.00 0.49 N ATOM 248 CA SER A 108 8.970 4.175 9.915 1.00 0.59 C ATOM 249 C SER A 108 9.318 3.075 10.922 1.00 0.63 C ATOM 250 O SER A 108 9.687 3.349 12.047 1.00 0.94 O ATOM 251 CB SER A 108 8.999 5.532 10.617 1.00 0.71 C ATOM 252 OG SER A 108 8.331 6.493 9.809 1.00 0.78 O ATOM 0 H SER A 108 6.916 3.606 10.023 1.00 0.49 H new ATOM 0 HA SER A 108 9.699 4.164 9.105 1.00 0.59 H new ATOM 0 HB2 SER A 108 8.516 5.461 11.592 1.00 0.71 H new ATOM 0 HB3 SER A 108 10.029 5.841 10.793 1.00 0.71 H new ATOM 0 HG SER A 108 8.347 7.365 10.257 1.00 0.78 H new ATOM 258 N TYR A 109 9.213 1.833 10.531 1.00 0.67 N ATOM 259 CA TYR A 109 9.549 0.731 11.477 1.00 0.79 C ATOM 260 C TYR A 109 11.043 0.789 11.801 1.00 0.91 C ATOM 261 O TYR A 109 11.440 1.071 12.914 1.00 1.82 O ATOM 262 CB TYR A 109 9.231 -0.625 10.839 1.00 0.90 C ATOM 263 CG TYR A 109 8.013 -0.510 9.955 1.00 0.68 C ATOM 264 CD1 TYR A 109 6.769 -0.184 10.512 1.00 1.35 C ATOM 265 CD2 TYR A 109 8.125 -0.741 8.578 1.00 1.27 C ATOM 266 CE1 TYR A 109 5.638 -0.086 9.691 1.00 1.32 C ATOM 267 CE2 TYR A 109 6.994 -0.645 7.757 1.00 1.33 C ATOM 268 CZ TYR A 109 5.751 -0.318 8.313 1.00 0.74 C ATOM 269 OH TYR A 109 4.636 -0.223 7.504 1.00 0.97 O ATOM 0 H TYR A 109 8.911 1.536 9.603 1.00 0.67 H new ATOM 0 HA TYR A 109 8.960 0.848 12.387 1.00 0.79 H new ATOM 0 HB2 TYR A 109 10.084 -0.969 10.253 1.00 0.90 H new ATOM 0 HB3 TYR A 109 9.057 -1.369 11.616 1.00 0.90 H new ATOM 0 HD1 TYR A 109 6.682 -0.008 11.574 1.00 1.35 H new ATOM 0 HD2 TYR A 109 9.084 -0.993 8.149 1.00 1.27 H new ATOM 0 HE1 TYR A 109 4.680 0.168 10.119 1.00 1.32 H new ATOM 0 HE2 TYR A 109 7.081 -0.823 6.695 1.00 1.33 H new ATOM 0 HH TYR A 109 3.919 0.236 7.988 1.00 0.97 H new ATOM 279 N SER A 110 11.872 0.523 10.829 1.00 0.77 N ATOM 280 CA SER A 110 13.342 0.558 11.063 1.00 0.77 C ATOM 281 C SER A 110 14.060 0.181 9.766 1.00 0.67 C ATOM 282 O SER A 110 15.131 0.673 9.468 1.00 0.79 O ATOM 283 CB SER A 110 13.711 -0.442 12.160 1.00 0.90 C ATOM 284 OG SER A 110 15.042 -0.896 11.953 1.00 1.60 O ATOM 0 H SER A 110 11.592 0.282 9.878 1.00 0.77 H new ATOM 0 HA SER A 110 13.642 1.559 11.375 1.00 0.77 H new ATOM 0 HB2 SER A 110 13.623 0.027 13.140 1.00 0.90 H new ATOM 0 HB3 SER A 110 13.021 -1.285 12.147 1.00 0.90 H new ATOM 0 HG SER A 110 15.282 -1.536 12.655 1.00 1.60 H new ATOM 290 N SER A 111 13.471 -0.686 8.989 1.00 0.59 N ATOM 291 CA SER A 111 14.104 -1.097 7.705 1.00 0.54 C ATOM 292 C SER A 111 13.032 -1.155 6.615 1.00 0.50 C ATOM 293 O SER A 111 11.854 -1.201 6.910 1.00 0.51 O ATOM 294 CB SER A 111 14.740 -2.478 7.869 1.00 0.62 C ATOM 295 OG SER A 111 16.009 -2.340 8.494 1.00 0.71 O ATOM 0 H SER A 111 12.574 -1.129 9.190 1.00 0.59 H new ATOM 0 HA SER A 111 14.873 -0.376 7.427 1.00 0.54 H new ATOM 0 HB2 SER A 111 14.094 -3.119 8.469 1.00 0.62 H new ATOM 0 HB3 SER A 111 14.851 -2.958 6.897 1.00 0.62 H new ATOM 0 HG SER A 111 16.418 -3.224 8.602 1.00 0.71 H new ATOM 301 N PRO A 112 13.471 -1.153 5.384 1.00 0.49 N ATOM 302 CA PRO A 112 12.569 -1.204 4.223 1.00 0.48 C ATOM 303 C PRO A 112 12.047 -2.627 4.012 1.00 0.48 C ATOM 304 O PRO A 112 12.789 -3.588 4.065 1.00 0.53 O ATOM 305 CB PRO A 112 13.456 -0.759 3.057 1.00 0.51 C ATOM 306 CG PRO A 112 14.917 -1.017 3.496 1.00 0.54 C ATOM 307 CD PRO A 112 14.906 -1.099 5.035 1.00 0.52 C ATOM 0 HA PRO A 112 11.685 -0.576 4.337 1.00 0.48 H new ATOM 0 HB2 PRO A 112 13.218 -1.318 2.152 1.00 0.51 H new ATOM 0 HB3 PRO A 112 13.299 0.296 2.830 1.00 0.51 H new ATOM 0 HG2 PRO A 112 15.295 -1.943 3.061 1.00 0.54 H new ATOM 0 HG3 PRO A 112 15.571 -0.215 3.155 1.00 0.54 H new ATOM 0 HD2 PRO A 112 15.436 -1.983 5.391 1.00 0.52 H new ATOM 0 HD3 PRO A 112 15.393 -0.233 5.484 1.00 0.52 H new ATOM 315 N THR A 113 10.771 -2.767 3.772 1.00 0.44 N ATOM 316 CA THR A 113 10.194 -4.123 3.557 1.00 0.47 C ATOM 317 C THR A 113 10.268 -4.466 2.071 1.00 0.39 C ATOM 318 O THR A 113 10.681 -3.663 1.261 1.00 0.36 O ATOM 319 CB THR A 113 8.733 -4.134 4.014 1.00 0.50 C ATOM 320 OG1 THR A 113 8.561 -3.196 5.067 1.00 0.55 O ATOM 321 CG2 THR A 113 8.363 -5.533 4.509 1.00 0.59 C ATOM 0 H THR A 113 10.103 -1.998 3.716 1.00 0.44 H new ATOM 0 HA THR A 113 10.756 -4.859 4.132 1.00 0.47 H new ATOM 0 HB THR A 113 8.088 -3.864 3.178 1.00 0.50 H new ATOM 0 HG1 THR A 113 7.626 -3.201 5.360 1.00 0.55 H new ATOM 0 HG21 THR A 113 7.323 -5.541 4.834 1.00 0.59 H new ATOM 0 HG22 THR A 113 8.496 -6.252 3.700 1.00 0.59 H new ATOM 0 HG23 THR A 113 9.007 -5.805 5.346 1.00 0.59 H new ATOM 329 N PHE A 114 9.877 -5.653 1.707 1.00 0.39 N ATOM 330 CA PHE A 114 9.937 -6.042 0.270 1.00 0.34 C ATOM 331 C PHE A 114 8.745 -5.440 -0.476 1.00 0.32 C ATOM 332 O PHE A 114 7.756 -5.056 0.116 1.00 0.56 O ATOM 333 CB PHE A 114 9.894 -7.567 0.150 1.00 0.37 C ATOM 334 CG PHE A 114 11.140 -8.157 0.766 1.00 0.46 C ATOM 335 CD1 PHE A 114 11.241 -8.284 2.158 1.00 1.32 C ATOM 336 CD2 PHE A 114 12.195 -8.579 -0.054 1.00 1.35 C ATOM 337 CE1 PHE A 114 12.397 -8.833 2.729 1.00 1.48 C ATOM 338 CE2 PHE A 114 13.351 -9.127 0.517 1.00 1.43 C ATOM 339 CZ PHE A 114 13.452 -9.254 1.909 1.00 0.95 C ATOM 0 H PHE A 114 9.519 -6.370 2.339 1.00 0.39 H new ATOM 0 HA PHE A 114 10.864 -5.668 -0.166 1.00 0.34 H new ATOM 0 HB2 PHE A 114 9.008 -7.957 0.651 1.00 0.37 H new ATOM 0 HB3 PHE A 114 9.821 -7.858 -0.898 1.00 0.37 H new ATOM 0 HD1 PHE A 114 10.428 -7.959 2.790 1.00 1.32 H new ATOM 0 HD2 PHE A 114 12.117 -8.482 -1.127 1.00 1.35 H new ATOM 0 HE1 PHE A 114 12.475 -8.932 3.802 1.00 1.48 H new ATOM 0 HE2 PHE A 114 14.164 -9.452 -0.115 1.00 1.43 H new ATOM 0 HZ PHE A 114 14.343 -9.676 2.350 1.00 0.95 H new ATOM 349 N CYS A 115 8.838 -5.351 -1.775 1.00 0.22 N ATOM 350 CA CYS A 115 7.719 -4.771 -2.569 1.00 0.22 C ATOM 351 C CYS A 115 6.873 -5.904 -3.155 1.00 0.23 C ATOM 352 O CYS A 115 7.382 -6.936 -3.546 1.00 0.25 O ATOM 353 CB CYS A 115 8.301 -3.912 -3.691 1.00 0.20 C ATOM 354 SG CYS A 115 6.972 -3.238 -4.714 1.00 0.25 S ATOM 0 H CYS A 115 9.643 -5.656 -2.322 1.00 0.22 H new ATOM 0 HA CYS A 115 7.087 -4.152 -1.932 1.00 0.22 H new ATOM 0 HB2 CYS A 115 8.892 -3.100 -3.268 1.00 0.20 H new ATOM 0 HB3 CYS A 115 8.975 -4.510 -4.305 1.00 0.20 H new ATOM 359 N ASP A 116 5.583 -5.722 -3.202 1.00 0.30 N ATOM 360 CA ASP A 116 4.693 -6.794 -3.743 1.00 0.33 C ATOM 361 C ASP A 116 4.428 -6.564 -5.232 1.00 0.35 C ATOM 362 O ASP A 116 3.994 -7.453 -5.938 1.00 0.62 O ATOM 363 CB ASP A 116 3.364 -6.776 -2.986 1.00 0.43 C ATOM 364 CG ASP A 116 2.796 -5.355 -2.985 1.00 0.62 C ATOM 365 OD1 ASP A 116 2.706 -4.774 -4.054 1.00 1.27 O ATOM 366 OD2 ASP A 116 2.462 -4.873 -1.916 1.00 1.27 O ATOM 0 H ASP A 116 5.104 -4.878 -2.890 1.00 0.30 H new ATOM 0 HA ASP A 116 5.183 -7.759 -3.615 1.00 0.33 H new ATOM 0 HB2 ASP A 116 2.657 -7.461 -3.454 1.00 0.43 H new ATOM 0 HB3 ASP A 116 3.512 -7.121 -1.963 1.00 0.43 H new ATOM 371 N HIS A 117 4.676 -5.381 -5.715 1.00 0.39 N ATOM 372 CA HIS A 117 4.428 -5.098 -7.156 1.00 0.39 C ATOM 373 C HIS A 117 5.679 -5.438 -7.970 1.00 0.35 C ATOM 374 O HIS A 117 5.596 -5.777 -9.134 1.00 0.41 O ATOM 375 CB HIS A 117 4.092 -3.616 -7.332 1.00 0.45 C ATOM 376 CG HIS A 117 3.977 -3.297 -8.798 1.00 0.52 C ATOM 377 ND1 HIS A 117 2.762 -3.316 -9.465 1.00 0.71 N ATOM 378 CD2 HIS A 117 4.915 -2.948 -9.738 1.00 0.54 C ATOM 379 CE1 HIS A 117 2.999 -2.988 -10.748 1.00 0.76 C ATOM 380 NE2 HIS A 117 4.295 -2.754 -10.969 1.00 0.66 N ATOM 0 H HIS A 117 5.040 -4.596 -5.175 1.00 0.39 H new ATOM 0 HA HIS A 117 3.594 -5.706 -7.506 1.00 0.39 H new ATOM 0 HB2 HIS A 117 3.157 -3.382 -6.824 1.00 0.45 H new ATOM 0 HB3 HIS A 117 4.866 -3.000 -6.875 1.00 0.45 H new ATOM 0 HD2 HIS A 117 5.973 -2.840 -9.551 1.00 0.54 H new ATOM 0 HE1 HIS A 117 2.234 -2.922 -11.507 1.00 0.76 H new ATOM 0 HE2 HIS A 117 4.736 -2.490 -11.850 1.00 0.66 H new ATOM 388 N CYS A 118 6.838 -5.355 -7.374 1.00 0.30 N ATOM 389 CA CYS A 118 8.081 -5.681 -8.131 1.00 0.32 C ATOM 390 C CYS A 118 8.877 -6.752 -7.380 1.00 0.31 C ATOM 391 O CYS A 118 9.890 -7.228 -7.852 1.00 0.41 O ATOM 392 CB CYS A 118 8.934 -4.420 -8.286 1.00 0.32 C ATOM 393 SG CYS A 118 9.355 -3.767 -6.653 1.00 0.26 S ATOM 0 H CYS A 118 6.978 -5.078 -6.402 1.00 0.30 H new ATOM 0 HA CYS A 118 7.813 -6.059 -9.118 1.00 0.32 H new ATOM 0 HB2 CYS A 118 9.843 -4.650 -8.842 1.00 0.32 H new ATOM 0 HB3 CYS A 118 8.390 -3.669 -8.860 1.00 0.32 H new ATOM 398 N GLY A 119 8.425 -7.140 -6.218 1.00 0.29 N ATOM 399 CA GLY A 119 9.157 -8.185 -5.446 1.00 0.33 C ATOM 400 C GLY A 119 10.607 -7.748 -5.230 1.00 0.32 C ATOM 401 O GLY A 119 11.535 -8.474 -5.526 1.00 0.47 O ATOM 0 H GLY A 119 7.582 -6.779 -5.771 1.00 0.29 H new ATOM 0 HA2 GLY A 119 8.670 -8.348 -4.485 1.00 0.33 H new ATOM 0 HA3 GLY A 119 9.129 -9.133 -5.983 1.00 0.33 H new ATOM 405 N SER A 120 10.809 -6.567 -4.715 1.00 0.30 N ATOM 406 CA SER A 120 12.199 -6.084 -4.478 1.00 0.30 C ATOM 407 C SER A 120 12.239 -5.260 -3.190 1.00 0.25 C ATOM 408 O SER A 120 11.327 -4.515 -2.891 1.00 0.33 O ATOM 409 CB SER A 120 12.644 -5.214 -5.654 1.00 0.33 C ATOM 410 OG SER A 120 12.336 -5.878 -6.873 1.00 0.47 O ATOM 0 H SER A 120 10.072 -5.915 -4.448 1.00 0.30 H new ATOM 0 HA SER A 120 12.870 -6.938 -4.384 1.00 0.30 H new ATOM 0 HB2 SER A 120 12.142 -4.247 -5.616 1.00 0.33 H new ATOM 0 HB3 SER A 120 13.715 -5.020 -5.593 1.00 0.33 H new ATOM 0 HG SER A 120 11.416 -5.666 -7.138 1.00 0.47 H new ATOM 416 N LEU A 121 13.288 -5.386 -2.423 1.00 0.37 N ATOM 417 CA LEU A 121 13.380 -4.608 -1.155 1.00 0.36 C ATOM 418 C LEU A 121 13.366 -3.111 -1.463 1.00 0.35 C ATOM 419 O LEU A 121 14.065 -2.638 -2.337 1.00 0.46 O ATOM 420 CB LEU A 121 14.677 -4.963 -0.423 1.00 0.44 C ATOM 421 CG LEU A 121 14.418 -6.121 0.540 1.00 0.49 C ATOM 422 CD1 LEU A 121 15.738 -6.824 0.861 1.00 0.59 C ATOM 423 CD2 LEU A 121 13.802 -5.575 1.831 1.00 0.51 C ATOM 0 H LEU A 121 14.084 -5.993 -2.619 1.00 0.37 H new ATOM 0 HA LEU A 121 12.527 -4.856 -0.524 1.00 0.36 H new ATOM 0 HB2 LEU A 121 15.449 -5.239 -1.142 1.00 0.44 H new ATOM 0 HB3 LEU A 121 15.047 -4.096 0.125 1.00 0.44 H new ATOM 0 HG LEU A 121 13.733 -6.833 0.080 1.00 0.49 H new ATOM 0 HD11 LEU A 121 15.553 -7.650 1.548 1.00 0.59 H new ATOM 0 HD12 LEU A 121 16.178 -7.209 -0.059 1.00 0.59 H new ATOM 0 HD13 LEU A 121 16.425 -6.115 1.323 1.00 0.59 H new ATOM 0 HD21 LEU A 121 13.615 -6.398 2.521 1.00 0.51 H new ATOM 0 HD22 LEU A 121 14.490 -4.865 2.290 1.00 0.51 H new ATOM 0 HD23 LEU A 121 12.862 -5.073 1.602 1.00 0.51 H new ATOM 435 N LEU A 122 12.577 -2.364 -0.745 1.00 0.32 N ATOM 436 CA LEU A 122 12.514 -0.896 -0.983 1.00 0.34 C ATOM 437 C LEU A 122 13.804 -0.248 -0.477 1.00 0.45 C ATOM 438 O LEU A 122 13.910 0.131 0.672 1.00 0.65 O ATOM 439 CB LEU A 122 11.319 -0.308 -0.229 1.00 0.39 C ATOM 440 CG LEU A 122 10.075 -1.158 -0.496 1.00 0.39 C ATOM 441 CD1 LEU A 122 9.148 -1.103 0.719 1.00 0.50 C ATOM 442 CD2 LEU A 122 9.338 -0.611 -1.720 1.00 0.45 C ATOM 0 H LEU A 122 11.971 -2.708 -0.001 1.00 0.32 H new ATOM 0 HA LEU A 122 12.400 -0.702 -2.050 1.00 0.34 H new ATOM 0 HB2 LEU A 122 11.529 -0.279 0.840 1.00 0.39 H new ATOM 0 HB3 LEU A 122 11.145 0.720 -0.548 1.00 0.39 H new ATOM 0 HG LEU A 122 10.374 -2.190 -0.680 1.00 0.39 H new ATOM 0 HD11 LEU A 122 8.262 -1.709 0.528 1.00 0.50 H new ATOM 0 HD12 LEU A 122 9.671 -1.490 1.593 1.00 0.50 H new ATOM 0 HD13 LEU A 122 8.849 -0.071 0.902 1.00 0.50 H new ATOM 0 HD21 LEU A 122 8.452 -1.216 -1.911 1.00 0.45 H new ATOM 0 HD22 LEU A 122 9.040 0.421 -1.534 1.00 0.45 H new ATOM 0 HD23 LEU A 122 9.997 -0.648 -2.588 1.00 0.45 H new ATOM 454 N TYR A 123 14.788 -0.121 -1.326 1.00 0.74 N ATOM 455 CA TYR A 123 16.071 0.499 -0.892 1.00 0.87 C ATOM 456 C TYR A 123 15.786 1.827 -0.189 1.00 1.03 C ATOM 457 O TYR A 123 14.649 2.226 -0.031 1.00 1.46 O ATOM 458 CB TYR A 123 16.955 0.749 -2.116 1.00 1.28 C ATOM 459 CG TYR A 123 17.478 -0.568 -2.637 1.00 1.71 C ATOM 460 CD1 TYR A 123 18.324 -1.351 -1.841 1.00 2.39 C ATOM 461 CD2 TYR A 123 17.118 -1.006 -3.918 1.00 2.24 C ATOM 462 CE1 TYR A 123 18.810 -2.573 -2.325 1.00 3.01 C ATOM 463 CE2 TYR A 123 17.603 -2.228 -4.403 1.00 2.74 C ATOM 464 CZ TYR A 123 18.449 -3.012 -3.606 1.00 2.96 C ATOM 465 OH TYR A 123 18.927 -4.215 -4.084 1.00 3.65 O ATOM 0 H TYR A 123 14.758 -0.420 -2.301 1.00 0.74 H new ATOM 0 HA TYR A 123 16.584 -0.172 -0.203 1.00 0.87 H new ATOM 0 HB2 TYR A 123 16.384 1.258 -2.892 1.00 1.28 H new ATOM 0 HB3 TYR A 123 17.786 1.403 -1.850 1.00 1.28 H new ATOM 0 HD1 TYR A 123 18.602 -1.013 -0.854 1.00 2.39 H new ATOM 0 HD2 TYR A 123 16.467 -0.402 -4.532 1.00 2.24 H new ATOM 0 HE1 TYR A 123 19.462 -3.176 -1.711 1.00 3.01 H new ATOM 0 HE2 TYR A 123 17.325 -2.566 -5.390 1.00 2.74 H new ATOM 0 HH TYR A 123 18.580 -4.369 -4.987 1.00 3.65 H new ATOM 475 N GLY A 124 16.810 2.517 0.232 1.00 1.15 N ATOM 476 CA GLY A 124 16.597 3.820 0.923 1.00 1.55 C ATOM 477 C GLY A 124 15.850 4.777 -0.008 1.00 1.51 C ATOM 478 O GLY A 124 15.331 5.790 0.415 1.00 2.22 O ATOM 0 H GLY A 124 17.785 2.235 0.127 1.00 1.15 H new ATOM 0 HA2 GLY A 124 16.027 3.668 1.839 1.00 1.55 H new ATOM 0 HA3 GLY A 124 17.556 4.251 1.212 1.00 1.55 H new ATOM 482 N LEU A 125 15.792 4.462 -1.274 1.00 1.21 N ATOM 483 CA LEU A 125 15.079 5.352 -2.233 1.00 1.48 C ATOM 484 C LEU A 125 13.758 5.817 -1.616 1.00 1.22 C ATOM 485 O LEU A 125 13.246 6.870 -1.941 1.00 1.40 O ATOM 486 CB LEU A 125 14.794 4.583 -3.525 1.00 1.84 C ATOM 487 CG LEU A 125 16.060 4.536 -4.381 1.00 2.30 C ATOM 488 CD1 LEU A 125 15.839 3.596 -5.568 1.00 2.72 C ATOM 489 CD2 LEU A 125 16.377 5.942 -4.897 1.00 2.74 C ATOM 0 H LEU A 125 16.208 3.626 -1.685 1.00 1.21 H new ATOM 0 HA LEU A 125 15.701 6.219 -2.454 1.00 1.48 H new ATOM 0 HB2 LEU A 125 14.462 3.571 -3.293 1.00 1.84 H new ATOM 0 HB3 LEU A 125 13.987 5.065 -4.077 1.00 1.84 H new ATOM 0 HG LEU A 125 16.893 4.172 -3.779 1.00 2.30 H new ATOM 0 HD11 LEU A 125 16.741 3.562 -6.178 1.00 2.72 H new ATOM 0 HD12 LEU A 125 15.611 2.595 -5.202 1.00 2.72 H new ATOM 0 HD13 LEU A 125 15.007 3.960 -6.170 1.00 2.72 H new ATOM 0 HD21 LEU A 125 17.279 5.911 -5.508 1.00 2.74 H new ATOM 0 HD22 LEU A 125 15.544 6.305 -5.499 1.00 2.74 H new ATOM 0 HD23 LEU A 125 16.534 6.613 -4.052 1.00 2.74 H new ATOM 501 N VAL A 126 13.201 5.040 -0.727 1.00 0.93 N ATOM 502 CA VAL A 126 11.914 5.439 -0.092 1.00 0.92 C ATOM 503 C VAL A 126 11.975 5.146 1.407 1.00 0.84 C ATOM 504 O VAL A 126 12.192 4.024 1.819 1.00 1.36 O ATOM 505 CB VAL A 126 10.768 4.644 -0.719 1.00 1.15 C ATOM 506 CG1 VAL A 126 10.625 5.027 -2.193 1.00 1.50 C ATOM 507 CG2 VAL A 126 11.068 3.147 -0.609 1.00 1.20 C ATOM 0 H VAL A 126 13.582 4.147 -0.414 1.00 0.93 H new ATOM 0 HA VAL A 126 11.746 6.504 -0.249 1.00 0.92 H new ATOM 0 HB VAL A 126 9.840 4.870 -0.194 1.00 1.15 H new ATOM 0 HG11 VAL A 126 9.808 4.460 -2.639 1.00 1.50 H new ATOM 0 HG12 VAL A 126 10.413 6.093 -2.273 1.00 1.50 H new ATOM 0 HG13 VAL A 126 11.553 4.801 -2.719 1.00 1.50 H new ATOM 0 HG21 VAL A 126 10.252 2.579 -1.055 1.00 1.20 H new ATOM 0 HG22 VAL A 126 11.996 2.922 -1.134 1.00 1.20 H new ATOM 0 HG23 VAL A 126 11.169 2.872 0.441 1.00 1.20 H new ATOM 517 N HIS A 127 11.785 6.144 2.227 1.00 0.87 N ATOM 518 CA HIS A 127 11.832 5.915 3.699 1.00 0.84 C ATOM 519 C HIS A 127 11.048 4.646 4.036 1.00 0.93 C ATOM 520 O HIS A 127 9.843 4.671 4.189 1.00 1.89 O ATOM 521 CB HIS A 127 11.210 7.110 4.424 1.00 0.97 C ATOM 522 CG HIS A 127 11.637 7.097 5.866 1.00 0.98 C ATOM 523 ND1 HIS A 127 10.752 7.357 6.901 1.00 1.10 N ATOM 524 CD2 HIS A 127 12.851 6.858 6.461 1.00 1.10 C ATOM 525 CE1 HIS A 127 11.441 7.268 8.054 1.00 1.18 C ATOM 526 NE2 HIS A 127 12.725 6.966 7.843 1.00 1.22 N ATOM 0 H HIS A 127 11.600 7.106 1.942 1.00 0.87 H new ATOM 0 HA HIS A 127 12.868 5.801 4.019 1.00 0.84 H new ATOM 0 HB2 HIS A 127 11.522 8.040 3.949 1.00 0.97 H new ATOM 0 HB3 HIS A 127 10.123 7.066 4.355 1.00 0.97 H new ATOM 0 HD2 HIS A 127 13.765 6.622 5.936 1.00 1.10 H new ATOM 0 HE1 HIS A 127 11.008 7.422 9.031 1.00 1.18 H new ATOM 0 HE2 HIS A 127 13.456 6.841 8.544 1.00 1.22 H new ATOM 534 N GLN A 128 11.722 3.534 4.148 1.00 0.69 N ATOM 535 CA GLN A 128 11.015 2.264 4.468 1.00 0.65 C ATOM 536 C GLN A 128 10.122 1.872 3.288 1.00 0.61 C ATOM 537 O GLN A 128 10.467 2.086 2.143 1.00 1.17 O ATOM 538 CB GLN A 128 10.162 2.458 5.724 1.00 0.75 C ATOM 539 CG GLN A 128 10.937 3.291 6.748 1.00 1.53 C ATOM 540 CD GLN A 128 12.366 2.758 6.870 1.00 2.63 C ATOM 541 OE1 GLN A 128 13.288 3.509 7.122 1.00 3.28 O ATOM 542 NE2 GLN A 128 12.591 1.484 6.701 1.00 3.45 N ATOM 0 H GLN A 128 12.732 3.451 4.031 1.00 0.69 H new ATOM 0 HA GLN A 128 11.743 1.473 4.649 1.00 0.65 H new ATOM 0 HB2 GLN A 128 9.227 2.956 5.467 1.00 0.75 H new ATOM 0 HB3 GLN A 128 9.900 1.490 6.151 1.00 0.75 H new ATOM 0 HG2 GLN A 128 10.954 4.337 6.443 1.00 1.53 H new ATOM 0 HG3 GLN A 128 10.439 3.250 7.717 1.00 1.53 H new ATOM 0 HE21 GLN A 128 11.818 0.853 6.490 1.00 3.45 H new ATOM 0 HE22 GLN A 128 13.540 1.119 6.780 1.00 3.45 H new ATOM 551 N GLY A 129 8.979 1.299 3.551 1.00 0.47 N ATOM 552 CA GLY A 129 8.078 0.897 2.435 1.00 0.43 C ATOM 553 C GLY A 129 6.737 1.621 2.565 1.00 0.33 C ATOM 554 O GLY A 129 6.375 2.097 3.625 1.00 0.33 O ATOM 0 H GLY A 129 8.631 1.093 4.487 1.00 0.47 H new ATOM 0 HA2 GLY A 129 8.540 1.138 1.478 1.00 0.43 H new ATOM 0 HA3 GLY A 129 7.922 -0.182 2.452 1.00 0.43 H new ATOM 558 N MET A 130 5.994 1.704 1.495 1.00 0.31 N ATOM 559 CA MET A 130 4.673 2.391 1.553 1.00 0.27 C ATOM 560 C MET A 130 3.595 1.369 1.919 1.00 0.24 C ATOM 561 O MET A 130 3.209 0.547 1.113 1.00 0.36 O ATOM 562 CB MET A 130 4.350 3.005 0.187 1.00 0.34 C ATOM 563 CG MET A 130 5.647 3.417 -0.512 1.00 0.59 C ATOM 564 SD MET A 130 5.408 5.009 -1.339 1.00 1.23 S ATOM 565 CE MET A 130 5.793 6.061 0.081 1.00 0.66 C ATOM 0 H MET A 130 6.246 1.325 0.582 1.00 0.31 H new ATOM 0 HA MET A 130 4.704 3.181 2.303 1.00 0.27 H new ATOM 0 HB2 MET A 130 3.807 2.286 -0.427 1.00 0.34 H new ATOM 0 HB3 MET A 130 3.701 3.872 0.311 1.00 0.34 H new ATOM 0 HG2 MET A 130 6.456 3.490 0.214 1.00 0.59 H new ATOM 0 HG3 MET A 130 5.938 2.658 -1.238 1.00 0.59 H new ATOM 0 HE1 MET A 130 5.706 7.108 -0.208 1.00 0.66 H new ATOM 0 HE2 MET A 130 5.095 5.849 0.891 1.00 0.66 H new ATOM 0 HE3 MET A 130 6.810 5.861 0.417 1.00 0.66 H new ATOM 575 N LYS A 131 3.113 1.407 3.130 1.00 0.20 N ATOM 576 CA LYS A 131 2.068 0.429 3.545 1.00 0.20 C ATOM 577 C LYS A 131 0.679 0.993 3.250 1.00 0.18 C ATOM 578 O LYS A 131 0.323 2.064 3.700 1.00 0.24 O ATOM 579 CB LYS A 131 2.194 0.156 5.043 1.00 0.27 C ATOM 580 CG LYS A 131 1.187 -0.921 5.452 1.00 0.37 C ATOM 581 CD LYS A 131 0.773 -0.705 6.908 1.00 0.91 C ATOM 582 CE LYS A 131 0.278 -2.027 7.499 1.00 1.24 C ATOM 583 NZ LYS A 131 0.638 -2.091 8.944 1.00 1.94 N ATOM 0 H LYS A 131 3.397 2.072 3.850 1.00 0.20 H new ATOM 0 HA LYS A 131 2.205 -0.498 2.988 1.00 0.20 H new ATOM 0 HB2 LYS A 131 3.207 -0.169 5.280 1.00 0.27 H new ATOM 0 HB3 LYS A 131 2.013 1.071 5.607 1.00 0.27 H new ATOM 0 HG2 LYS A 131 0.312 -0.880 4.804 1.00 0.37 H new ATOM 0 HG3 LYS A 131 1.627 -1.911 5.331 1.00 0.37 H new ATOM 0 HD2 LYS A 131 1.618 -0.330 7.486 1.00 0.91 H new ATOM 0 HD3 LYS A 131 -0.013 0.048 6.966 1.00 0.91 H new ATOM 0 HE2 LYS A 131 -0.802 -2.110 7.378 1.00 1.24 H new ATOM 0 HE3 LYS A 131 0.724 -2.866 6.965 1.00 1.24 H new ATOM 0 HZ1 LYS A 131 0.302 -2.989 9.346 1.00 1.94 H new ATOM 0 HZ2 LYS A 131 1.671 -2.031 9.047 1.00 1.94 H new ATOM 0 HZ3 LYS A 131 0.193 -1.298 9.448 1.00 1.94 H new ATOM 597 N CYS A 132 -0.111 0.274 2.505 1.00 0.18 N ATOM 598 CA CYS A 132 -1.482 0.761 2.187 1.00 0.21 C ATOM 599 C CYS A 132 -2.322 0.762 3.465 1.00 0.25 C ATOM 600 O CYS A 132 -2.475 -0.251 4.119 1.00 0.29 O ATOM 601 CB CYS A 132 -2.126 -0.162 1.149 1.00 0.23 C ATOM 602 SG CYS A 132 -3.884 0.238 0.987 1.00 0.27 S ATOM 0 H CYS A 132 0.133 -0.631 2.102 1.00 0.18 H new ATOM 0 HA CYS A 132 -1.428 1.772 1.783 1.00 0.21 H new ATOM 0 HB2 CYS A 132 -1.627 -0.048 0.187 1.00 0.23 H new ATOM 0 HB3 CYS A 132 -2.006 -1.203 1.449 1.00 0.23 H new ATOM 607 N SER A 133 -2.865 1.892 3.829 1.00 0.30 N ATOM 608 CA SER A 133 -3.691 1.958 5.067 1.00 0.37 C ATOM 609 C SER A 133 -5.126 1.527 4.752 1.00 0.41 C ATOM 610 O SER A 133 -6.078 2.152 5.174 1.00 0.63 O ATOM 611 CB SER A 133 -3.697 3.392 5.600 1.00 0.44 C ATOM 612 OG SER A 133 -3.078 3.419 6.879 1.00 1.31 O ATOM 0 H SER A 133 -2.772 2.772 3.322 1.00 0.30 H new ATOM 0 HA SER A 133 -3.269 1.291 5.818 1.00 0.37 H new ATOM 0 HB2 SER A 133 -3.166 4.050 4.912 1.00 0.44 H new ATOM 0 HB3 SER A 133 -4.720 3.762 5.670 1.00 0.44 H new ATOM 0 HG SER A 133 -3.078 4.337 7.223 1.00 1.31 H new ATOM 618 N CYS A 134 -5.288 0.461 4.017 1.00 0.32 N ATOM 619 CA CYS A 134 -6.659 -0.010 3.678 1.00 0.37 C ATOM 620 C CYS A 134 -6.653 -1.534 3.540 1.00 0.36 C ATOM 621 O CYS A 134 -7.576 -2.207 3.954 1.00 0.46 O ATOM 622 CB CYS A 134 -7.104 0.620 2.357 1.00 0.44 C ATOM 623 SG CYS A 134 -8.227 1.998 2.694 1.00 1.13 S ATOM 0 H CYS A 134 -4.529 -0.104 3.637 1.00 0.32 H new ATOM 0 HA CYS A 134 -7.350 0.282 4.469 1.00 0.37 H new ATOM 0 HB2 CYS A 134 -6.236 0.972 1.799 1.00 0.44 H new ATOM 0 HB3 CYS A 134 -7.601 -0.125 1.736 1.00 0.44 H new ATOM 0 HG CYS A 134 -7.854 2.606 3.780 1.00 1.13 H new ATOM 629 N CYS A 135 -5.622 -2.084 2.957 1.00 0.33 N ATOM 630 CA CYS A 135 -5.565 -3.564 2.791 1.00 0.40 C ATOM 631 C CYS A 135 -4.180 -4.082 3.193 1.00 0.42 C ATOM 632 O CYS A 135 -3.906 -5.263 3.115 1.00 0.53 O ATOM 633 CB CYS A 135 -5.838 -3.922 1.327 1.00 0.48 C ATOM 634 SG CYS A 135 -4.429 -3.421 0.305 1.00 0.51 S ATOM 0 H CYS A 135 -4.819 -1.574 2.590 1.00 0.33 H new ATOM 0 HA CYS A 135 -6.318 -4.026 3.429 1.00 0.40 H new ATOM 0 HB2 CYS A 135 -6.007 -4.994 1.230 1.00 0.48 H new ATOM 0 HB3 CYS A 135 -6.745 -3.424 0.983 1.00 0.48 H new ATOM 639 N GLU A 136 -3.302 -3.214 3.619 1.00 0.37 N ATOM 640 CA GLU A 136 -1.941 -3.671 4.017 1.00 0.42 C ATOM 641 C GLU A 136 -1.165 -4.090 2.768 1.00 0.44 C ATOM 642 O GLU A 136 -1.060 -5.259 2.452 1.00 0.71 O ATOM 643 CB GLU A 136 -2.059 -4.862 4.970 1.00 0.51 C ATOM 644 CG GLU A 136 -3.143 -4.578 6.010 1.00 0.67 C ATOM 645 CD GLU A 136 -3.124 -5.670 7.081 1.00 1.35 C ATOM 646 OE1 GLU A 136 -2.797 -6.797 6.744 1.00 2.06 O ATOM 647 OE2 GLU A 136 -3.435 -5.362 8.219 1.00 2.00 O ATOM 0 H GLU A 136 -3.468 -2.212 3.708 1.00 0.37 H new ATOM 0 HA GLU A 136 -1.415 -2.859 4.519 1.00 0.42 H new ATOM 0 HB2 GLU A 136 -2.304 -5.765 4.411 1.00 0.51 H new ATOM 0 HB3 GLU A 136 -1.104 -5.042 5.464 1.00 0.51 H new ATOM 0 HG2 GLU A 136 -2.976 -3.603 6.467 1.00 0.67 H new ATOM 0 HG3 GLU A 136 -4.121 -4.542 5.530 1.00 0.67 H new ATOM 654 N MET A 137 -0.624 -3.144 2.052 1.00 0.35 N ATOM 655 CA MET A 137 0.140 -3.483 0.820 1.00 0.37 C ATOM 656 C MET A 137 1.414 -2.637 0.760 1.00 0.44 C ATOM 657 O MET A 137 1.363 -1.430 0.632 1.00 0.97 O ATOM 658 CB MET A 137 -0.724 -3.189 -0.408 1.00 0.35 C ATOM 659 CG MET A 137 -0.355 -4.150 -1.539 1.00 0.41 C ATOM 660 SD MET A 137 -1.849 -4.984 -2.131 1.00 1.13 S ATOM 661 CE MET A 137 -1.320 -5.212 -3.846 1.00 0.63 C ATOM 0 H MET A 137 -0.678 -2.149 2.268 1.00 0.35 H new ATOM 0 HA MET A 137 0.407 -4.540 0.836 1.00 0.37 H new ATOM 0 HB2 MET A 137 -1.779 -3.296 -0.156 1.00 0.35 H new ATOM 0 HB3 MET A 137 -0.576 -2.158 -0.731 1.00 0.35 H new ATOM 0 HG2 MET A 137 0.118 -3.604 -2.355 1.00 0.41 H new ATOM 0 HG3 MET A 137 0.369 -4.884 -1.186 1.00 0.41 H new ATOM 0 HE1 MET A 137 -2.107 -5.718 -4.405 1.00 0.63 H new ATOM 0 HE2 MET A 137 -1.122 -4.240 -4.298 1.00 0.63 H new ATOM 0 HE3 MET A 137 -0.412 -5.815 -3.870 1.00 0.63 H new ATOM 671 N ASN A 138 2.557 -3.259 0.852 1.00 0.33 N ATOM 672 CA ASN A 138 3.830 -2.486 0.800 1.00 0.31 C ATOM 673 C ASN A 138 4.295 -2.369 -0.653 1.00 0.27 C ATOM 674 O ASN A 138 4.371 -3.346 -1.372 1.00 0.36 O ATOM 675 CB ASN A 138 4.900 -3.209 1.621 1.00 0.43 C ATOM 676 CG ASN A 138 4.567 -3.091 3.110 1.00 0.55 C ATOM 677 OD1 ASN A 138 4.136 -2.052 3.567 1.00 1.13 O ATOM 678 ND2 ASN A 138 4.749 -4.121 3.890 1.00 1.19 N ATOM 0 H ASN A 138 2.665 -4.267 0.961 1.00 0.33 H new ATOM 0 HA ASN A 138 3.668 -1.490 1.212 1.00 0.31 H new ATOM 0 HB2 ASN A 138 4.949 -4.258 1.330 1.00 0.43 H new ATOM 0 HB3 ASN A 138 5.881 -2.777 1.421 1.00 0.43 H new ATOM 0 HD21 ASN A 138 4.529 -4.053 4.884 1.00 1.19 H new ATOM 0 HD22 ASN A 138 5.111 -4.994 3.506 1.00 1.19 H new ATOM 685 N VAL A 139 4.606 -1.180 -1.094 1.00 0.24 N ATOM 686 CA VAL A 139 5.063 -1.005 -2.502 1.00 0.23 C ATOM 687 C VAL A 139 6.121 0.099 -2.565 1.00 0.21 C ATOM 688 O VAL A 139 6.502 0.667 -1.561 1.00 0.28 O ATOM 689 CB VAL A 139 3.870 -0.617 -3.378 1.00 0.26 C ATOM 690 CG1 VAL A 139 2.952 -1.828 -3.556 1.00 0.44 C ATOM 691 CG2 VAL A 139 3.093 0.517 -2.707 1.00 0.40 C ATOM 0 H VAL A 139 4.563 -0.324 -0.541 1.00 0.24 H new ATOM 0 HA VAL A 139 5.493 -1.939 -2.863 1.00 0.23 H new ATOM 0 HB VAL A 139 4.228 -0.286 -4.353 1.00 0.26 H new ATOM 0 HG11 VAL A 139 2.102 -1.552 -4.180 1.00 0.44 H new ATOM 0 HG12 VAL A 139 3.505 -2.637 -4.034 1.00 0.44 H new ATOM 0 HG13 VAL A 139 2.594 -2.159 -2.581 1.00 0.44 H new ATOM 0 HG21 VAL A 139 2.243 0.794 -3.330 1.00 0.40 H new ATOM 0 HG22 VAL A 139 2.735 0.186 -1.732 1.00 0.40 H new ATOM 0 HG23 VAL A 139 3.746 1.380 -2.580 1.00 0.40 H new ATOM 701 N HIS A 140 6.599 0.404 -3.741 1.00 0.21 N ATOM 702 CA HIS A 140 7.633 1.470 -3.876 1.00 0.21 C ATOM 703 C HIS A 140 6.949 2.823 -4.073 1.00 0.22 C ATOM 704 O HIS A 140 5.739 2.915 -4.133 1.00 0.32 O ATOM 705 CB HIS A 140 8.517 1.172 -5.089 1.00 0.23 C ATOM 706 CG HIS A 140 9.557 0.152 -4.719 1.00 0.20 C ATOM 707 ND1 HIS A 140 9.456 -1.177 -5.099 1.00 0.21 N ATOM 708 CD2 HIS A 140 10.727 0.251 -4.007 1.00 0.24 C ATOM 709 CE1 HIS A 140 10.536 -1.819 -4.617 1.00 0.24 C ATOM 710 NE2 HIS A 140 11.343 -0.995 -3.944 1.00 0.24 N ATOM 0 H HIS A 140 6.318 -0.040 -4.615 1.00 0.21 H new ATOM 0 HA HIS A 140 8.244 1.497 -2.974 1.00 0.21 H new ATOM 0 HB2 HIS A 140 7.907 0.802 -5.913 1.00 0.23 H new ATOM 0 HB3 HIS A 140 8.998 2.087 -5.434 1.00 0.23 H new ATOM 0 HD2 HIS A 140 11.111 1.158 -3.563 1.00 0.24 H new ATOM 0 HE1 HIS A 140 10.727 -2.873 -4.757 1.00 0.24 H new ATOM 0 HE2 HIS A 140 12.222 -1.229 -3.483 1.00 0.24 H new ATOM 717 N ARG A 141 7.715 3.874 -4.181 1.00 0.24 N ATOM 718 CA ARG A 141 7.109 5.219 -4.383 1.00 0.28 C ATOM 719 C ARG A 141 6.818 5.419 -5.871 1.00 0.28 C ATOM 720 O ARG A 141 6.055 6.283 -6.256 1.00 0.36 O ATOM 721 CB ARG A 141 8.085 6.297 -3.904 1.00 0.36 C ATOM 722 CG ARG A 141 7.594 6.877 -2.576 1.00 1.05 C ATOM 723 CD ARG A 141 8.285 8.217 -2.319 1.00 0.96 C ATOM 724 NE ARG A 141 7.732 9.247 -3.243 1.00 1.65 N ATOM 725 CZ ARG A 141 7.826 10.513 -2.941 1.00 2.04 C ATOM 726 NH1 ARG A 141 8.949 11.148 -3.136 1.00 2.65 N ATOM 727 NH2 ARG A 141 6.797 11.143 -2.444 1.00 2.61 N ATOM 0 H ARG A 141 8.734 3.859 -4.138 1.00 0.24 H new ATOM 0 HA ARG A 141 6.182 5.293 -3.814 1.00 0.28 H new ATOM 0 HB2 ARG A 141 9.081 5.872 -3.781 1.00 0.36 H new ATOM 0 HB3 ARG A 141 8.166 7.087 -4.650 1.00 0.36 H new ATOM 0 HG2 ARG A 141 6.513 7.013 -2.604 1.00 1.05 H new ATOM 0 HG3 ARG A 141 7.808 6.183 -1.763 1.00 1.05 H new ATOM 0 HD2 ARG A 141 8.134 8.523 -1.284 1.00 0.96 H new ATOM 0 HD3 ARG A 141 9.360 8.118 -2.469 1.00 0.96 H new ATOM 0 HE ARG A 141 7.280 8.962 -4.112 1.00 1.65 H new ATOM 0 HH11 ARG A 141 9.753 10.655 -3.524 1.00 2.65 H new ATOM 0 HH12 ARG A 141 9.023 12.138 -2.900 1.00 2.65 H new ATOM 0 HH21 ARG A 141 5.919 10.646 -2.292 1.00 2.61 H new ATOM 0 HH22 ARG A 141 6.870 12.133 -2.208 1.00 2.61 H new ATOM 741 N ARG A 142 7.421 4.622 -6.711 1.00 0.27 N ATOM 742 CA ARG A 142 7.181 4.759 -8.175 1.00 0.29 C ATOM 743 C ARG A 142 6.453 3.514 -8.689 1.00 0.23 C ATOM 744 O ARG A 142 6.240 3.354 -9.874 1.00 0.23 O ATOM 745 CB ARG A 142 8.521 4.905 -8.901 1.00 0.38 C ATOM 746 CG ARG A 142 9.570 4.025 -8.218 1.00 1.37 C ATOM 747 CD ARG A 142 10.915 4.187 -8.929 1.00 1.69 C ATOM 748 NE ARG A 142 10.771 3.805 -10.362 1.00 2.46 N ATOM 749 CZ ARG A 142 11.789 3.914 -11.171 1.00 2.96 C ATOM 750 NH1 ARG A 142 13.001 3.727 -10.724 1.00 3.60 N ATOM 751 NH2 ARG A 142 11.596 4.211 -12.427 1.00 3.33 N ATOM 0 H ARG A 142 8.070 3.881 -6.446 1.00 0.27 H new ATOM 0 HA ARG A 142 6.570 5.642 -8.363 1.00 0.29 H new ATOM 0 HB2 ARG A 142 8.414 4.616 -9.947 1.00 0.38 H new ATOM 0 HB3 ARG A 142 8.841 5.947 -8.889 1.00 0.38 H new ATOM 0 HG2 ARG A 142 9.666 4.303 -7.169 1.00 1.37 H new ATOM 0 HG3 ARG A 142 9.257 2.981 -8.244 1.00 1.37 H new ATOM 0 HD2 ARG A 142 11.258 5.219 -8.850 1.00 1.69 H new ATOM 0 HD3 ARG A 142 11.669 3.563 -8.450 1.00 1.69 H new ATOM 0 HE ARG A 142 9.877 3.458 -10.710 1.00 2.46 H new ATOM 0 HH11 ARG A 142 13.152 3.496 -9.742 1.00 3.60 H new ATOM 0 HH12 ARG A 142 13.797 3.812 -11.357 1.00 3.60 H new ATOM 0 HH21 ARG A 142 10.649 4.358 -12.777 1.00 3.33 H new ATOM 0 HH22 ARG A 142 12.392 4.296 -13.059 1.00 3.33 H new ATOM 765 N CYS A 143 6.070 2.631 -7.806 1.00 0.24 N ATOM 766 CA CYS A 143 5.357 1.399 -8.245 1.00 0.23 C ATOM 767 C CYS A 143 3.847 1.627 -8.161 1.00 0.22 C ATOM 768 O CYS A 143 3.069 0.937 -8.789 1.00 0.27 O ATOM 769 CB CYS A 143 5.748 0.232 -7.335 1.00 0.29 C ATOM 770 SG CYS A 143 7.276 -0.523 -7.944 1.00 0.47 S ATOM 0 H CYS A 143 6.220 2.710 -6.800 1.00 0.24 H new ATOM 0 HA CYS A 143 5.633 1.166 -9.274 1.00 0.23 H new ATOM 0 HB2 CYS A 143 5.886 0.585 -6.313 1.00 0.29 H new ATOM 0 HB3 CYS A 143 4.948 -0.508 -7.311 1.00 0.29 H new ATOM 775 N VAL A 144 3.425 2.591 -7.388 1.00 0.25 N ATOM 776 CA VAL A 144 1.965 2.862 -7.265 1.00 0.32 C ATOM 777 C VAL A 144 1.419 3.327 -8.616 1.00 0.31 C ATOM 778 O VAL A 144 0.328 2.967 -9.012 1.00 0.36 O ATOM 779 CB VAL A 144 1.736 3.954 -6.219 1.00 0.40 C ATOM 780 CG1 VAL A 144 0.235 4.210 -6.069 1.00 0.52 C ATOM 781 CG2 VAL A 144 2.311 3.500 -4.876 1.00 0.50 C ATOM 0 H VAL A 144 4.028 3.202 -6.837 1.00 0.25 H new ATOM 0 HA VAL A 144 1.450 1.952 -6.958 1.00 0.32 H new ATOM 0 HB VAL A 144 2.231 4.871 -6.537 1.00 0.40 H new ATOM 0 HG11 VAL A 144 0.071 4.988 -5.324 1.00 0.52 H new ATOM 0 HG12 VAL A 144 -0.177 4.532 -7.026 1.00 0.52 H new ATOM 0 HG13 VAL A 144 -0.261 3.293 -5.751 1.00 0.52 H new ATOM 0 HG21 VAL A 144 2.149 4.277 -4.129 1.00 0.50 H new ATOM 0 HG22 VAL A 144 1.815 2.583 -4.559 1.00 0.50 H new ATOM 0 HG23 VAL A 144 3.380 3.316 -4.982 1.00 0.50 H new ATOM 791 N ARG A 145 2.169 4.122 -9.328 1.00 0.32 N ATOM 792 CA ARG A 145 1.692 4.608 -10.654 1.00 0.38 C ATOM 793 C ARG A 145 1.557 3.421 -11.610 1.00 0.36 C ATOM 794 O ARG A 145 0.989 3.534 -12.678 1.00 0.43 O ATOM 795 CB ARG A 145 2.700 5.609 -11.223 1.00 0.48 C ATOM 796 CG ARG A 145 1.954 6.809 -11.810 1.00 1.07 C ATOM 797 CD ARG A 145 2.936 7.959 -12.038 1.00 1.60 C ATOM 798 NE ARG A 145 2.194 9.251 -12.045 1.00 2.48 N ATOM 799 CZ ARG A 145 2.527 10.191 -12.887 1.00 3.06 C ATOM 800 NH1 ARG A 145 3.786 10.409 -13.156 1.00 3.73 N ATOM 801 NH2 ARG A 145 1.603 10.911 -13.460 1.00 3.49 N ATOM 0 H ARG A 145 3.091 4.456 -9.049 1.00 0.32 H new ATOM 0 HA ARG A 145 0.724 5.095 -10.538 1.00 0.38 H new ATOM 0 HB2 ARG A 145 3.382 5.939 -10.439 1.00 0.48 H new ATOM 0 HB3 ARG A 145 3.306 5.132 -11.993 1.00 0.48 H new ATOM 0 HG2 ARG A 145 1.479 6.531 -12.751 1.00 1.07 H new ATOM 0 HG3 ARG A 145 1.160 7.124 -11.133 1.00 1.07 H new ATOM 0 HD2 ARG A 145 3.693 7.966 -11.254 1.00 1.60 H new ATOM 0 HD3 ARG A 145 3.459 7.823 -12.984 1.00 1.60 H new ATOM 0 HE ARG A 145 1.425 9.401 -11.391 1.00 2.48 H new ATOM 0 HH11 ARG A 145 4.508 9.845 -12.708 1.00 3.73 H new ATOM 0 HH12 ARG A 145 4.047 11.143 -13.814 1.00 3.73 H new ATOM 0 HH21 ARG A 145 0.620 10.740 -13.250 1.00 3.49 H new ATOM 0 HH22 ARG A 145 1.864 11.646 -14.118 1.00 3.49 H new ATOM 815 N SER A 146 2.075 2.284 -11.235 1.00 0.34 N ATOM 816 CA SER A 146 1.976 1.091 -12.122 1.00 0.39 C ATOM 817 C SER A 146 0.756 0.258 -11.723 1.00 0.40 C ATOM 818 O SER A 146 0.160 -0.417 -12.539 1.00 0.54 O ATOM 819 CB SER A 146 3.240 0.242 -11.978 1.00 0.48 C ATOM 820 OG SER A 146 4.374 1.098 -11.904 1.00 0.55 O ATOM 0 H SER A 146 2.563 2.130 -10.353 1.00 0.34 H new ATOM 0 HA SER A 146 1.872 1.416 -13.157 1.00 0.39 H new ATOM 0 HB2 SER A 146 3.177 -0.376 -11.082 1.00 0.48 H new ATOM 0 HB3 SER A 146 3.336 -0.435 -12.827 1.00 0.48 H new ATOM 0 HG SER A 146 5.186 0.558 -11.810 1.00 0.55 H new ATOM 826 N VAL A 147 0.380 0.298 -10.474 1.00 0.36 N ATOM 827 CA VAL A 147 -0.801 -0.493 -10.025 1.00 0.41 C ATOM 828 C VAL A 147 -2.087 0.266 -10.376 1.00 0.42 C ATOM 829 O VAL A 147 -2.143 1.473 -10.247 1.00 0.42 O ATOM 830 CB VAL A 147 -0.730 -0.699 -8.511 1.00 0.44 C ATOM 831 CG1 VAL A 147 -1.754 -1.753 -8.090 1.00 0.61 C ATOM 832 CG2 VAL A 147 0.674 -1.171 -8.127 1.00 0.54 C ATOM 0 H VAL A 147 0.839 0.844 -9.745 1.00 0.36 H new ATOM 0 HA VAL A 147 -0.801 -1.462 -10.525 1.00 0.41 H new ATOM 0 HB VAL A 147 -0.949 0.242 -8.006 1.00 0.44 H new ATOM 0 HG11 VAL A 147 -1.703 -1.899 -7.011 1.00 0.61 H new ATOM 0 HG12 VAL A 147 -2.754 -1.418 -8.364 1.00 0.61 H new ATOM 0 HG13 VAL A 147 -1.536 -2.694 -8.595 1.00 0.61 H new ATOM 0 HG21 VAL A 147 0.726 -1.318 -7.048 1.00 0.54 H new ATOM 0 HG22 VAL A 147 0.893 -2.112 -8.633 1.00 0.54 H new ATOM 0 HG23 VAL A 147 1.405 -0.420 -8.426 1.00 0.54 H new ATOM 842 N PRO A 148 -3.084 -0.466 -10.810 1.00 0.54 N ATOM 843 CA PRO A 148 -4.388 0.109 -11.187 1.00 0.63 C ATOM 844 C PRO A 148 -5.247 0.370 -9.943 1.00 0.63 C ATOM 845 O PRO A 148 -6.437 0.127 -9.941 1.00 1.01 O ATOM 846 CB PRO A 148 -5.020 -0.981 -12.056 1.00 0.80 C ATOM 847 CG PRO A 148 -4.329 -2.309 -11.661 1.00 0.83 C ATOM 848 CD PRO A 148 -3.004 -1.932 -10.972 1.00 0.67 C ATOM 0 HA PRO A 148 -4.297 1.067 -11.700 1.00 0.63 H new ATOM 0 HB2 PRO A 148 -6.095 -1.037 -11.887 1.00 0.80 H new ATOM 0 HB3 PRO A 148 -4.874 -0.767 -13.115 1.00 0.80 H new ATOM 0 HG2 PRO A 148 -4.962 -2.890 -10.990 1.00 0.83 H new ATOM 0 HG3 PRO A 148 -4.146 -2.926 -12.541 1.00 0.83 H new ATOM 0 HD2 PRO A 148 -2.898 -2.434 -10.010 1.00 0.67 H new ATOM 0 HD3 PRO A 148 -2.144 -2.219 -11.577 1.00 0.67 H new ATOM 856 N SER A 149 -4.657 0.860 -8.886 1.00 0.65 N ATOM 857 CA SER A 149 -5.447 1.130 -7.652 1.00 0.68 C ATOM 858 C SER A 149 -6.383 -0.048 -7.376 1.00 0.72 C ATOM 859 O SER A 149 -7.576 0.031 -7.590 1.00 0.94 O ATOM 860 CB SER A 149 -6.271 2.403 -7.842 1.00 0.76 C ATOM 861 OG SER A 149 -6.444 2.646 -9.232 1.00 1.49 O ATOM 0 H SER A 149 -3.664 1.084 -8.824 1.00 0.65 H new ATOM 0 HA SER A 149 -4.769 1.259 -6.809 1.00 0.68 H new ATOM 0 HB2 SER A 149 -7.241 2.298 -7.356 1.00 0.76 H new ATOM 0 HB3 SER A 149 -5.769 3.249 -7.373 1.00 0.76 H new ATOM 0 HG SER A 149 -6.926 1.895 -9.638 1.00 1.49 H new ATOM 867 N LEU A 150 -5.852 -1.142 -6.902 1.00 0.75 N ATOM 868 CA LEU A 150 -6.712 -2.324 -6.613 1.00 0.86 C ATOM 869 C LEU A 150 -6.976 -2.407 -5.108 1.00 0.71 C ATOM 870 O LEU A 150 -6.711 -3.411 -4.476 1.00 0.85 O ATOM 871 CB LEU A 150 -6.000 -3.597 -7.077 1.00 1.08 C ATOM 872 CG LEU A 150 -6.843 -4.292 -8.146 1.00 1.77 C ATOM 873 CD1 LEU A 150 -6.101 -4.257 -9.484 1.00 2.54 C ATOM 874 CD2 LEU A 150 -7.085 -5.747 -7.737 1.00 2.19 C ATOM 0 H LEU A 150 -4.860 -1.268 -6.702 1.00 0.75 H new ATOM 0 HA LEU A 150 -7.659 -2.223 -7.143 1.00 0.86 H new ATOM 0 HB2 LEU A 150 -5.017 -3.351 -7.477 1.00 1.08 H new ATOM 0 HB3 LEU A 150 -5.842 -4.267 -6.232 1.00 1.08 H new ATOM 0 HG LEU A 150 -7.799 -3.777 -8.246 1.00 1.77 H new ATOM 0 HD11 LEU A 150 -6.702 -4.753 -10.246 1.00 2.54 H new ATOM 0 HD12 LEU A 150 -5.926 -3.222 -9.776 1.00 2.54 H new ATOM 0 HD13 LEU A 150 -5.146 -4.772 -9.384 1.00 2.54 H new ATOM 0 HD21 LEU A 150 -7.686 -6.244 -8.499 1.00 2.19 H new ATOM 0 HD22 LEU A 150 -6.129 -6.261 -7.637 1.00 2.19 H new ATOM 0 HD23 LEU A 150 -7.613 -5.774 -6.784 1.00 2.19 H new ATOM 886 N CYS A 151 -7.495 -1.360 -4.528 1.00 0.58 N ATOM 887 CA CYS A 151 -7.774 -1.380 -3.065 1.00 0.52 C ATOM 888 C CYS A 151 -9.285 -1.453 -2.834 1.00 0.65 C ATOM 889 O CYS A 151 -10.063 -0.874 -3.566 1.00 0.96 O ATOM 890 CB CYS A 151 -7.221 -0.106 -2.423 1.00 0.49 C ATOM 891 SG CYS A 151 -6.933 -0.396 -0.660 1.00 0.50 S ATOM 0 H CYS A 151 -7.738 -0.491 -5.004 1.00 0.58 H new ATOM 0 HA CYS A 151 -7.296 -2.251 -2.616 1.00 0.52 H new ATOM 0 HB2 CYS A 151 -6.291 0.186 -2.911 1.00 0.49 H new ATOM 0 HB3 CYS A 151 -7.924 0.716 -2.557 1.00 0.49 H new ATOM 896 N GLY A 152 -9.707 -2.161 -1.822 1.00 0.98 N ATOM 897 CA GLY A 152 -11.167 -2.270 -1.546 1.00 1.19 C ATOM 898 C GLY A 152 -11.859 -2.964 -2.720 1.00 1.33 C ATOM 899 O GLY A 152 -13.069 -2.959 -2.831 1.00 1.95 O ATOM 0 H GLY A 152 -9.104 -2.668 -1.175 1.00 0.98 H new ATOM 0 HA2 GLY A 152 -11.333 -2.834 -0.628 1.00 1.19 H new ATOM 0 HA3 GLY A 152 -11.594 -1.279 -1.393 1.00 1.19 H new ATOM 903 N VAL A 153 -11.102 -3.563 -3.598 1.00 1.59 N ATOM 904 CA VAL A 153 -11.718 -4.257 -4.764 1.00 2.19 C ATOM 905 C VAL A 153 -11.263 -5.717 -4.786 1.00 2.85 C ATOM 906 O VAL A 153 -11.063 -6.299 -5.834 1.00 3.53 O ATOM 907 CB VAL A 153 -11.282 -3.567 -6.057 1.00 2.79 C ATOM 908 CG1 VAL A 153 -9.773 -3.736 -6.243 1.00 3.33 C ATOM 909 CG2 VAL A 153 -12.015 -4.199 -7.242 1.00 3.35 C ATOM 0 H VAL A 153 -10.084 -3.602 -3.558 1.00 1.59 H new ATOM 0 HA VAL A 153 -12.804 -4.216 -4.679 1.00 2.19 H new ATOM 0 HB VAL A 153 -11.524 -2.506 -6.002 1.00 2.79 H new ATOM 0 HG11 VAL A 153 -9.463 -3.244 -7.165 1.00 3.33 H new ATOM 0 HG12 VAL A 153 -9.250 -3.288 -5.398 1.00 3.33 H new ATOM 0 HG13 VAL A 153 -9.530 -4.797 -6.298 1.00 3.33 H new ATOM 0 HG21 VAL A 153 -11.706 -3.708 -8.165 1.00 3.35 H new ATOM 0 HG22 VAL A 153 -11.772 -5.260 -7.296 1.00 3.35 H new ATOM 0 HG23 VAL A 153 -13.090 -4.079 -7.110 1.00 3.35 H new ATOM 919 N ASP A 154 -11.098 -6.314 -3.638 1.00 3.09 N ATOM 920 CA ASP A 154 -10.657 -7.736 -3.594 1.00 4.06 C ATOM 921 C ASP A 154 -11.617 -8.592 -4.423 1.00 4.29 C ATOM 922 O ASP A 154 -11.428 -8.784 -5.607 1.00 4.57 O ATOM 923 CB ASP A 154 -10.658 -8.226 -2.144 1.00 4.69 C ATOM 924 CG ASP A 154 -9.554 -7.511 -1.363 1.00 5.36 C ATOM 925 OD1 ASP A 154 -8.398 -7.829 -1.584 1.00 5.82 O ATOM 926 OD2 ASP A 154 -9.885 -6.657 -0.556 1.00 5.75 O ATOM 0 H ASP A 154 -11.250 -5.878 -2.728 1.00 3.09 H new ATOM 0 HA ASP A 154 -9.650 -7.818 -4.004 1.00 4.06 H new ATOM 0 HB2 ASP A 154 -11.627 -8.032 -1.684 1.00 4.69 H new ATOM 0 HB3 ASP A 154 -10.500 -9.304 -2.113 1.00 4.69 H new ATOM 931 N HIS A 155 -12.647 -9.107 -3.808 1.00 4.57 N ATOM 932 CA HIS A 155 -13.620 -9.950 -4.560 1.00 5.05 C ATOM 933 C HIS A 155 -14.473 -10.748 -3.571 1.00 5.17 C ATOM 934 O HIS A 155 -14.433 -10.521 -2.378 1.00 5.46 O ATOM 935 CB HIS A 155 -12.861 -10.915 -5.473 1.00 5.77 C ATOM 936 CG HIS A 155 -11.639 -11.424 -4.759 1.00 6.49 C ATOM 937 ND1 HIS A 155 -11.719 -12.135 -3.572 1.00 6.95 N ATOM 938 CD2 HIS A 155 -10.301 -11.334 -5.052 1.00 7.18 C ATOM 939 CE1 HIS A 155 -10.464 -12.442 -3.197 1.00 7.80 C ATOM 940 NE2 HIS A 155 -9.560 -11.977 -4.065 1.00 7.98 N ATOM 0 H HIS A 155 -12.857 -8.981 -2.818 1.00 4.57 H new ATOM 0 HA HIS A 155 -14.264 -9.311 -5.163 1.00 5.05 H new ATOM 0 HB2 HIS A 155 -13.505 -11.749 -5.754 1.00 5.77 H new ATOM 0 HB3 HIS A 155 -12.573 -10.410 -6.395 1.00 5.77 H new ATOM 0 HD2 HIS A 155 -9.886 -10.839 -5.918 1.00 7.18 H new ATOM 0 HE1 HIS A 155 -10.217 -12.996 -2.304 1.00 7.80 H new ATOM 0 HE2 HIS A 155 -8.546 -12.073 -4.015 1.00 7.98 H new ATOM 948 N THR A 156 -15.243 -11.682 -4.057 1.00 5.37 N ATOM 949 CA THR A 156 -16.097 -12.494 -3.145 1.00 5.86 C ATOM 950 C THR A 156 -15.816 -13.980 -3.375 1.00 5.87 C ATOM 951 O THR A 156 -15.795 -14.452 -4.495 1.00 5.97 O ATOM 952 CB THR A 156 -17.572 -12.201 -3.431 1.00 6.36 C ATOM 953 OG1 THR A 156 -17.967 -12.880 -4.614 1.00 6.28 O ATOM 954 CG2 THR A 156 -17.768 -10.695 -3.613 1.00 6.77 C ATOM 0 H THR A 156 -15.318 -11.918 -5.046 1.00 5.37 H new ATOM 0 HA THR A 156 -15.872 -12.238 -2.110 1.00 5.86 H new ATOM 0 HB THR A 156 -18.181 -12.545 -2.595 1.00 6.36 H new ATOM 0 HG1 THR A 156 -17.184 -13.300 -5.027 1.00 6.28 H new ATOM 0 HG21 THR A 156 -18.818 -10.487 -3.817 1.00 6.77 H new ATOM 0 HG22 THR A 156 -17.465 -10.176 -2.704 1.00 6.77 H new ATOM 0 HG23 THR A 156 -17.161 -10.347 -4.449 1.00 6.77 H new ATOM 962 N GLU A 157 -15.597 -14.722 -2.324 1.00 6.11 N ATOM 963 CA GLU A 157 -15.315 -16.176 -2.484 1.00 6.42 C ATOM 964 C GLU A 157 -16.313 -16.787 -3.470 1.00 6.81 C ATOM 965 O GLU A 157 -17.269 -16.154 -3.872 1.00 7.25 O ATOM 966 CB GLU A 157 -15.445 -16.873 -1.128 1.00 6.78 C ATOM 967 CG GLU A 157 -14.224 -16.543 -0.267 1.00 6.84 C ATOM 968 CD GLU A 157 -12.967 -17.119 -0.921 1.00 7.41 C ATOM 969 OE1 GLU A 157 -13.102 -17.773 -1.942 1.00 7.63 O ATOM 970 OE2 GLU A 157 -11.891 -16.897 -0.390 1.00 7.89 O ATOM 0 H GLU A 157 -15.601 -14.384 -1.362 1.00 6.11 H new ATOM 0 HA GLU A 157 -14.303 -16.308 -2.866 1.00 6.42 H new ATOM 0 HB2 GLU A 157 -16.356 -16.548 -0.626 1.00 6.78 H new ATOM 0 HB3 GLU A 157 -15.525 -17.951 -1.267 1.00 6.78 H new ATOM 0 HG2 GLU A 157 -14.126 -15.463 -0.155 1.00 6.84 H new ATOM 0 HG3 GLU A 157 -14.349 -16.957 0.733 1.00 6.84 H new ATOM 977 N ARG A 158 -16.098 -18.013 -3.864 1.00 6.95 N ATOM 978 CA ARG A 158 -17.032 -18.662 -4.825 1.00 7.56 C ATOM 979 C ARG A 158 -17.891 -19.688 -4.082 1.00 7.81 C ATOM 980 O ARG A 158 -17.921 -20.852 -4.428 1.00 8.47 O ATOM 981 CB ARG A 158 -16.239 -19.371 -5.930 1.00 7.92 C ATOM 982 CG ARG A 158 -14.933 -18.625 -6.209 1.00 7.91 C ATOM 983 CD ARG A 158 -15.225 -17.442 -7.122 1.00 8.69 C ATOM 984 NE ARG A 158 -14.195 -16.385 -6.914 1.00 8.96 N ATOM 985 CZ ARG A 158 -13.057 -16.448 -7.551 1.00 9.60 C ATOM 986 NH1 ARG A 158 -12.299 -17.503 -7.431 1.00 9.99 N ATOM 987 NH2 ARG A 158 -12.678 -15.455 -8.308 1.00 10.06 N ATOM 0 H ARG A 158 -15.315 -18.593 -3.561 1.00 6.95 H new ATOM 0 HA ARG A 158 -17.670 -17.900 -5.274 1.00 7.56 H new ATOM 0 HB2 ARG A 158 -16.023 -20.397 -5.631 1.00 7.92 H new ATOM 0 HB3 ARG A 158 -16.837 -19.423 -6.840 1.00 7.92 H new ATOM 0 HG2 ARG A 158 -14.489 -18.280 -5.275 1.00 7.91 H new ATOM 0 HG3 ARG A 158 -14.210 -19.293 -6.677 1.00 7.91 H new ATOM 0 HD2 ARG A 158 -15.225 -17.764 -8.163 1.00 8.69 H new ATOM 0 HD3 ARG A 158 -16.218 -17.043 -6.912 1.00 8.69 H new ATOM 0 HE ARG A 158 -14.379 -15.612 -6.274 1.00 8.96 H new ATOM 0 HH11 ARG A 158 -12.595 -18.279 -6.839 1.00 9.99 H new ATOM 0 HH12 ARG A 158 -11.410 -17.552 -7.929 1.00 9.99 H new ATOM 0 HH21 ARG A 158 -13.271 -14.630 -8.402 1.00 10.06 H new ATOM 0 HH22 ARG A 158 -11.789 -15.504 -8.806 1.00 10.06 H new ATOM 1001 N ARG A 159 -18.590 -19.266 -3.064 1.00 7.53 N ATOM 1002 CA ARG A 159 -19.444 -20.220 -2.302 1.00 8.08 C ATOM 1003 C ARG A 159 -20.911 -19.804 -2.427 1.00 8.33 C ATOM 1004 O ARG A 159 -21.154 -18.659 -2.774 1.00 8.40 O ATOM 1005 CB ARG A 159 -19.034 -20.207 -0.828 1.00 8.11 C ATOM 1006 CG ARG A 159 -17.512 -20.100 -0.721 1.00 7.86 C ATOM 1007 CD ARG A 159 -16.863 -21.266 -1.468 1.00 8.35 C ATOM 1008 NE ARG A 159 -16.218 -22.186 -0.489 1.00 8.80 N ATOM 1009 CZ ARG A 159 -16.342 -23.478 -0.629 1.00 9.47 C ATOM 1010 NH1 ARG A 159 -16.479 -23.995 -1.819 1.00 9.69 N ATOM 1011 NH2 ARG A 159 -16.328 -24.252 0.421 1.00 10.15 N ATOM 0 H ARG A 159 -18.607 -18.303 -2.728 1.00 7.53 H new ATOM 0 HA ARG A 159 -19.316 -21.224 -2.706 1.00 8.08 H new ATOM 0 HB2 ARG A 159 -19.505 -19.368 -0.316 1.00 8.11 H new ATOM 0 HB3 ARG A 159 -19.381 -21.115 -0.335 1.00 8.11 H new ATOM 0 HG2 ARG A 159 -17.173 -19.153 -1.140 1.00 7.86 H new ATOM 0 HG3 ARG A 159 -17.209 -20.112 0.326 1.00 7.86 H new ATOM 0 HD2 ARG A 159 -17.614 -21.803 -2.048 1.00 8.35 H new ATOM 0 HD3 ARG A 159 -16.122 -20.892 -2.174 1.00 8.35 H new ATOM 0 HE ARG A 159 -15.680 -21.806 0.290 1.00 8.80 H new ATOM 0 HH11 ARG A 159 -16.489 -23.390 -2.640 1.00 9.69 H new ATOM 0 HH12 ARG A 159 -16.576 -25.004 -1.928 1.00 9.69 H new ATOM 0 HH21 ARG A 159 -16.220 -23.848 1.351 1.00 10.15 H new ATOM 0 HH22 ARG A 159 -16.425 -25.261 0.312 1.00 10.15 H new TER 1025 ARG A 159 HETATM 1026 ZN ZN A 1 -4.823 -1.288 -0.460 1.00 0.45 ZN HETATM 1027 ZN ZN A 2 8.024 -1.929 -6.283 1.00 0.29 ZN CONECT 135 1026 CONECT 354 1027 CONECT 393 1027 CONECT 602 1026 CONECT 634 1026 CONECT 707 1027 CONECT 770 1027 CONECT 891 1026 CONECT 1026 135 602 634 891 CONECT 1027 354 393 707 770 END