USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 438 hydrogens (0 hets) HEADER LIM DOMAIN CONTAINING PROTEINS 15-MAR-98 1A7I TITLE AMINO-TERMINAL LIM DOMAIN FROM QUAIL CYSTEINE AND GLYCINE- TITLE 2 RICH PROTEIN, NMR, MINIMIZED AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: QCRP2 (LIM1); COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: N-TERMINAL LIM DOMAIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: COTURNIX JAPONICA; SOURCE 3 ORGANISM_COMMON: JAPANESE QUAIL; SOURCE 4 ORGANISM_TAXID: 93934; SOURCE 5 GENE: CSRP2; SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 7 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 8 EXPRESSION_SYSTEM_PLASMID: PET KEYWDS LIM DOMAIN CONTAINING PROTEINS, METAL-BINDING PROTEIN, ZINC KEYWDS 2 FINGER EXPDTA SOLUTION NMR AUTHOR G.KONTAXIS,R.KONRAT,B.KRAEUTLER,R.WEISKIRCHEN,K.BISTER REVDAT 2 24-FEB-09 1A7I 1 VERSN REVDAT 1 27-MAY-98 1A7I 0 JRNL AUTH G.KONTAXIS,R.KONRAT,B.KRAUTLER,R.WEISKIRCHEN, JRNL AUTH 2 K.BISTER JRNL TITL STRUCTURE AND INTRAMODULAR DYNAMICS OF THE JRNL TITL 2 AMINO-TERMINAL LIM DOMAIN FROM QUAIL CYSTEINE- AND JRNL TITL 3 GLYCINE-RICH PROTEIN CRP2. JRNL REF BIOCHEMISTRY V. 37 7127 1998 JRNL REFN ISSN 0006-2960 JRNL PMID 9585524 JRNL DOI 10.1021/BI973055V REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.WEISKIRCHEN,K.BISTER REMARK 1 TITL SUPPRESSION IN TRANSFORMED AVIAN FIBROBLASTS OF A REMARK 1 TITL 2 GENE (CRP) ENCODING A CYSTEINE-RICH PROTEIN REMARK 1 TITL 3 CONTAINING LIM DOMAINS REMARK 1 REF GENE V. 8 2317 1993 REMARK 1 REFN ISSN 0378-1119 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 1A7I 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) : 299 REMARK 210 PH : 7.2 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY, 2D NOESY, 2D X- REMARK 210 FILTERED NOESY, 3D TOCSY-HSQC, REMARK 210 3D NOESY-HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : UNITY PLUS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR, NMRPIPE, ANSIG, X-PLOR REMARK 210 METHOD USED : DG/SA/EM REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 15 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LEAST RESTRAINT VIOLATION, REMARK 210 MINIMUM ENERGY 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 MET A 1 REMARK 465 PRO A 2 REMARK 465 ASN A 3 REMARK 465 TRP A 4 REMARK 465 GLY A 5 REMARK 465 GLY A 6 REMARK 465 GLY A 7 REMARK 465 PRO A 68 REMARK 465 LYS A 69 REMARK 465 GLY A 70 REMARK 465 TYR A 71 REMARK 465 GLY A 72 REMARK 465 TYR A 73 REMARK 465 GLY A 74 REMARK 465 GLN A 75 REMARK 465 GLY A 76 REMARK 465 ALA A 77 REMARK 465 GLY A 78 REMARK 465 THR A 79 REMARK 465 LEU A 80 REMARK 465 ASN A 81 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 CYS A 10 CA - CB - SG ANGL. DEV. = 8.9 DEGREES REMARK 500 CYS A 13 CA - CB - SG ANGL. DEV. = 14.0 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 ALA A 12 -80.70 -89.68 REMARK 500 CYS A 13 -83.96 -64.44 REMARK 500 TYR A 18 -76.88 -149.71 REMARK 500 HIS A 19 -61.69 -138.36 REMARK 500 GLU A 21 40.46 -91.01 REMARK 500 ASP A 26 -112.42 69.83 REMARK 500 VAL A 39 -83.68 -89.88 REMARK 500 ARG A 41 59.81 87.64 REMARK 500 ASP A 45 -145.24 -167.42 REMARK 500 SER A 46 47.07 -95.22 REMARK 500 THR A 47 -83.57 -84.40 REMARK 500 THR A 48 -135.05 -130.35 REMARK 500 VAL A 49 160.30 162.64 REMARK 500 ASP A 53 -119.76 66.99 REMARK 500 CYS A 58 -148.90 -88.14 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 82 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 10 SG REMARK 620 2 CYS A 13 SG 137.1 REMARK 620 3 HIS A 31 ND1 94.7 95.6 REMARK 620 4 CYS A 34 SG 102.5 95.7 140.0 REMARK 620 N 1 2 3 REMARK 620 REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL REMARK 620 ZN A 83 ZN REMARK 620 N RES CSSEQI ATOM REMARK 620 1 CYS A 37 SG REMARK 620 2 CYS A 40 SG 100.5 REMARK 620 3 CYS A 58 SG 102.7 127.7 REMARK 620 4 CYS A 61 SG 137.9 94.4 98.6 REMARK 620 N 1 2 3 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: ZF1 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ZN BINDING SITE. REMARK 800 SITE_IDENTIFIER: ZF2 REMARK 800 EVIDENCE_CODE: UNKNOWN REMARK 800 SITE_DESCRIPTION: ZN BINDING SITE. REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 82 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE ZN A 83 DBREF 1A7I A 2 81 UNP Q05158 CSRP2_COTJA 1 80 SEQRES 1 A 81 MET PRO ASN TRP GLY GLY GLY ASN LYS CYS GLY ALA CYS SEQRES 2 A 81 GLY ARG THR VAL TYR HIS ALA GLU GLU VAL GLN CYS ASP SEQRES 3 A 81 GLY ARG SER PHE HIS ARG CYS CYS PHE LEU CYS MET VAL SEQRES 4 A 81 CYS ARG LYS ASN LEU ASP SER THR THR VAL ALA ILE HIS SEQRES 5 A 81 ASP ALA GLU VAL TYR CYS LYS SER CYS TYR GLY LYS LYS SEQRES 6 A 81 TYR GLY PRO LYS GLY TYR GLY TYR GLY GLN GLY ALA GLY SEQRES 7 A 81 THR LEU ASN HET ZN A 82 1 HET ZN A 83 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) HELIX 1 1 SER A 60 LYS A 65 1 6 SHEET 1 A 2 GLU A 22 CYS A 25 0 SHEET 2 A 2 ARG A 28 HIS A 31 -1 N PHE A 30 O VAL A 23 SHEET 1 B 2 ALA A 50 HIS A 52 0 SHEET 2 B 2 GLU A 55 TYR A 57 -1 N TYR A 57 O ALA A 50 LINK ZN ZN A 82 SG CYS A 10 1555 1555 2.25 LINK ZN ZN A 82 SG CYS A 13 1555 1555 2.25 LINK ZN ZN A 82 ND1 HIS A 31 1555 1555 2.06 LINK ZN ZN A 82 SG CYS A 34 1555 1555 2.35 LINK ZN ZN A 83 SG CYS A 37 1555 1555 2.36 LINK ZN ZN A 83 SG CYS A 40 1555 1555 2.22 LINK ZN ZN A 83 SG CYS A 58 1555 1555 2.25 LINK ZN ZN A 83 SG CYS A 61 1555 1555 2.34 SITE *** ZF1 4 CYS A 10 CYS A 13 HIS A 31 CYS A 34 SITE *** ZF2 4 CYS A 37 CYS A 40 CYS A 58 CYS A 61 SITE *** AC1 4 CYS A 10 CYS A 13 HIS A 31 CYS A 34 SITE *** AC2 4 CYS A 37 CYS A 40 CYS A 58 CYS A 61 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 31 HIS HD1 : A 31 HIS ND1 : A 82 ZNZN :(H bumps) USER MOD Set 1.1: A 52 HIS : no HD1:sc= -0.186 X(o=0.046,f=0.093) USER MOD Set 1.2: A 57 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 66 TYR OH : rot 151:sc= 0.233 USER MOD Single : A 8 ASN : amide:sc=-0.00603 X(o=-0.006,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 CYS SG : rot 180:sc= -0.237 USER MOD Single : A 29 SER OG : rot -131:sc= 0.618 USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -155:sc= 0.182 (180deg=0.0429) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0554 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 8 -1.490 -12.235 6.186 1.00 0.00 N ATOM 2 CA ASN A 8 -1.074 -12.451 7.539 1.00 0.00 C ATOM 3 C ASN A 8 -1.092 -11.107 8.199 1.00 0.00 C ATOM 4 O ASN A 8 -2.068 -10.752 8.866 1.00 0.00 O ATOM 5 CB ASN A 8 0.332 -13.101 7.667 1.00 0.00 C ATOM 6 CG ASN A 8 0.307 -14.514 7.076 1.00 0.00 C ATOM 7 OD1 ASN A 8 0.922 -14.761 6.040 1.00 0.00 O ATOM 8 ND2 ASN A 8 -0.411 -15.462 7.739 1.00 0.00 N ATOM 0 HA ASN A 8 -1.752 -13.160 8.014 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.072 -12.493 7.147 1.00 0.00 H new ATOM 0 HB3 ASN A 8 0.630 -13.140 8.715 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.452 -16.415 7.379 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.908 -15.219 8.596 1.00 0.00 H new ATOM 15 N LYS A 9 -0.023 -10.301 7.983 1.00 0.00 N ATOM 16 CA LYS A 9 0.167 -9.062 8.687 1.00 0.00 C ATOM 17 C LYS A 9 0.478 -7.980 7.700 1.00 0.00 C ATOM 18 O LYS A 9 1.197 -8.164 6.719 1.00 0.00 O ATOM 19 CB LYS A 9 1.321 -9.111 9.716 1.00 0.00 C ATOM 20 CG LYS A 9 1.056 -10.089 10.868 1.00 0.00 C ATOM 21 CD LYS A 9 2.097 -10.032 11.993 1.00 0.00 C ATOM 22 CE LYS A 9 3.496 -10.512 11.574 1.00 0.00 C ATOM 23 NZ LYS A 9 4.431 -10.478 12.723 1.00 0.00 N ATOM 0 H LYS A 9 0.715 -10.514 7.312 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.758 -8.870 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.242 -9.398 9.208 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.480 -8.113 10.124 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.072 -9.880 11.288 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.024 -11.103 10.469 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.169 -9.007 12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.749 -10.642 12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.434 -11.526 11.180 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.877 -9.881 10.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.369 -10.806 12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.505 -9.505 13.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.076 -11.099 13.478 1.00 0.00 H new ATOM 37 N CYS A 10 -0.126 -6.809 7.989 1.00 0.00 N ATOM 38 CA CYS A 10 -0.089 -5.562 7.290 1.00 0.00 C ATOM 39 C CYS A 10 1.210 -4.861 7.571 1.00 0.00 C ATOM 40 O CYS A 10 1.897 -5.153 8.549 1.00 0.00 O ATOM 41 CB CYS A 10 -1.312 -4.764 7.795 1.00 0.00 C ATOM 42 SG CYS A 10 -1.609 -3.019 7.361 1.00 0.00 S ATOM 0 H CYS A 10 -0.713 -6.735 8.820 1.00 0.00 H new ATOM 0 HA CYS A 10 -0.140 -5.682 6.208 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.195 -5.317 7.475 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.284 -4.811 8.884 1.00 0.00 H new ATOM 47 N GLY A 11 1.571 -3.910 6.680 1.00 0.00 N ATOM 48 CA GLY A 11 2.794 -3.148 6.760 1.00 0.00 C ATOM 49 C GLY A 11 2.660 -1.996 7.716 1.00 0.00 C ATOM 50 O GLY A 11 3.658 -1.517 8.254 1.00 0.00 O ATOM 0 H GLY A 11 0.994 -3.661 5.876 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.609 -3.797 7.082 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.057 -2.773 5.771 1.00 0.00 H new ATOM 54 N ALA A 12 1.411 -1.529 7.947 1.00 0.00 N ATOM 55 CA ALA A 12 1.101 -0.413 8.805 1.00 0.00 C ATOM 56 C ALA A 12 0.879 -0.906 10.186 1.00 0.00 C ATOM 57 O ALA A 12 1.785 -0.835 11.015 1.00 0.00 O ATOM 58 CB ALA A 12 -0.089 0.405 8.299 1.00 0.00 C ATOM 0 H ALA A 12 0.584 -1.945 7.519 1.00 0.00 H new ATOM 0 HA ALA A 12 1.951 0.269 8.799 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.279 1.233 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.135 0.798 7.307 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.972 -0.232 8.246 1.00 0.00 H new ATOM 64 N CYS A 13 -0.333 -1.430 10.458 1.00 0.00 N ATOM 65 CA CYS A 13 -0.661 -2.026 11.730 1.00 0.00 C ATOM 66 C CYS A 13 0.170 -3.250 11.965 1.00 0.00 C ATOM 67 O CYS A 13 1.198 -3.227 12.640 1.00 0.00 O ATOM 68 CB CYS A 13 -2.144 -2.471 12.027 1.00 0.00 C ATOM 69 SG CYS A 13 -3.618 -2.279 10.962 1.00 0.00 S ATOM 0 H CYS A 13 -1.101 -1.442 9.787 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.466 -1.181 12.391 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.083 -3.539 12.235 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -2.405 -1.978 12.963 1.00 0.00 H new ATOM 74 N GLY A 14 -0.328 -4.350 11.396 1.00 0.00 N ATOM 75 CA GLY A 14 0.169 -5.671 11.608 1.00 0.00 C ATOM 76 C GLY A 14 -0.962 -6.462 12.186 1.00 0.00 C ATOM 77 O GLY A 14 -0.734 -7.552 12.709 1.00 0.00 O ATOM 0 H GLY A 14 -1.119 -4.321 10.753 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.512 -6.111 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.022 -5.660 12.287 1.00 0.00 H new ATOM 81 N ARG A 15 -2.230 -5.958 12.078 1.00 0.00 N ATOM 82 CA ARG A 15 -3.413 -6.720 12.368 1.00 0.00 C ATOM 83 C ARG A 15 -3.619 -7.772 11.292 1.00 0.00 C ATOM 84 O ARG A 15 -2.753 -7.991 10.446 1.00 0.00 O ATOM 85 CB ARG A 15 -4.615 -5.754 12.464 1.00 0.00 C ATOM 86 CG ARG A 15 -4.683 -4.949 13.769 1.00 0.00 C ATOM 87 CD ARG A 15 -4.997 -5.799 15.010 1.00 0.00 C ATOM 88 NE ARG A 15 -5.085 -4.890 16.200 1.00 0.00 N ATOM 89 CZ ARG A 15 -5.341 -5.359 17.461 1.00 0.00 C ATOM 90 NH1 ARG A 15 -5.533 -6.689 17.709 1.00 0.00 N ATOM 91 NH2 ARG A 15 -5.406 -4.474 18.497 1.00 0.00 N ATOM 0 H ARG A 15 -2.424 -5.001 11.783 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.312 -7.240 13.321 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.574 -5.059 11.625 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.535 -6.328 12.358 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -3.731 -4.440 13.921 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -5.445 -4.176 13.668 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -5.936 -6.336 14.874 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -4.220 -6.548 15.162 1.00 0.00 H new ATOM 0 HE ARG A 15 -4.950 -3.888 16.065 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.487 -7.362 16.944 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -5.722 -7.009 18.659 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -5.265 -3.478 18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.596 -4.808 19.442 1.00 0.00 H new ATOM 105 N THR A 16 -4.776 -8.474 11.302 1.00 0.00 N ATOM 106 CA THR A 16 -4.984 -9.616 10.440 1.00 0.00 C ATOM 107 C THR A 16 -5.645 -9.285 9.120 1.00 0.00 C ATOM 108 O THR A 16 -6.853 -9.079 9.057 1.00 0.00 O ATOM 109 CB THR A 16 -5.788 -10.714 11.129 1.00 0.00 C ATOM 110 OG1 THR A 16 -5.209 -11.015 12.395 1.00 0.00 O ATOM 111 CG2 THR A 16 -5.794 -12.005 10.270 1.00 0.00 C ATOM 0 H THR A 16 -5.569 -8.254 11.905 1.00 0.00 H new ATOM 0 HA THR A 16 -3.976 -9.971 10.224 1.00 0.00 H new ATOM 0 HB THR A 16 -6.810 -10.358 11.257 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.730 -11.719 12.834 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.372 -12.777 10.778 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.243 -11.794 9.300 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.771 -12.352 10.128 1.00 0.00 H new ATOM 119 N VAL A 17 -4.835 -9.304 8.026 1.00 0.00 N ATOM 120 CA VAL A 17 -5.203 -9.293 6.636 1.00 0.00 C ATOM 121 C VAL A 17 -5.363 -10.773 6.366 1.00 0.00 C ATOM 122 O VAL A 17 -4.597 -11.579 6.895 1.00 0.00 O ATOM 123 CB VAL A 17 -4.140 -8.797 5.661 1.00 0.00 C ATOM 124 CG1 VAL A 17 -4.361 -7.383 5.180 1.00 0.00 C ATOM 125 CG2 VAL A 17 -2.830 -8.737 6.351 1.00 0.00 C ATOM 0 H VAL A 17 -3.821 -9.330 8.136 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.054 -8.629 6.486 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.183 -9.492 4.823 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.564 -7.104 4.491 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.322 -7.319 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.357 -6.704 6.033 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.069 -8.383 5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.895 -8.053 7.197 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.561 -9.731 6.708 1.00 0.00 H new ATOM 135 N TYR A 18 -6.377 -11.176 5.569 1.00 0.00 N ATOM 136 CA TYR A 18 -6.647 -12.584 5.386 1.00 0.00 C ATOM 137 C TYR A 18 -7.224 -12.780 4.013 1.00 0.00 C ATOM 138 O TYR A 18 -6.526 -13.251 3.116 1.00 0.00 O ATOM 139 CB TYR A 18 -7.593 -13.159 6.486 1.00 0.00 C ATOM 140 CG TYR A 18 -7.665 -14.664 6.434 1.00 0.00 C ATOM 141 CD1 TYR A 18 -6.545 -15.445 6.776 1.00 0.00 C ATOM 142 CD2 TYR A 18 -8.849 -15.315 6.037 1.00 0.00 C ATOM 143 CE1 TYR A 18 -6.601 -16.845 6.716 1.00 0.00 C ATOM 144 CE2 TYR A 18 -8.911 -16.715 5.973 1.00 0.00 C ATOM 145 CZ TYR A 18 -7.786 -17.482 6.313 1.00 0.00 C ATOM 146 OH TYR A 18 -7.846 -18.892 6.250 1.00 0.00 O ATOM 0 H TYR A 18 -6.999 -10.548 5.060 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.712 -13.137 5.482 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -7.240 -12.846 7.469 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -8.592 -12.743 6.359 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.632 -14.960 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -9.719 -14.730 5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.734 -17.433 6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -9.824 -17.202 5.662 1.00 0.00 H new ATOM 0 HH TYR A 18 -8.738 -19.169 5.954 1.00 0.00 H new ATOM 156 N HIS A 19 -8.521 -12.443 3.828 1.00 0.00 N ATOM 157 CA HIS A 19 -9.224 -12.686 2.595 1.00 0.00 C ATOM 158 C HIS A 19 -10.047 -11.463 2.334 1.00 0.00 C ATOM 159 O HIS A 19 -9.860 -10.785 1.324 1.00 0.00 O ATOM 160 CB HIS A 19 -10.133 -13.942 2.680 1.00 0.00 C ATOM 161 CG HIS A 19 -10.824 -14.304 1.390 1.00 0.00 C ATOM 162 ND1 HIS A 19 -11.975 -13.700 0.958 1.00 0.00 N ATOM 163 CD2 HIS A 19 -10.475 -15.211 0.447 1.00 0.00 C ATOM 164 CE1 HIS A 19 -12.311 -14.228 -0.210 1.00 0.00 C ATOM 165 NE2 HIS A 19 -11.417 -15.147 -0.542 1.00 0.00 N ATOM 0 H HIS A 19 -9.091 -11.995 4.545 1.00 0.00 H new ATOM 0 HA HIS A 19 -8.516 -12.879 1.789 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.530 -14.790 3.004 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -10.889 -13.776 3.448 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.614 -15.863 0.471 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -13.175 -13.953 -0.797 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -11.429 -15.711 -1.392 1.00 0.00 H new ATOM 173 N ALA A 20 -10.989 -11.160 3.258 1.00 0.00 N ATOM 174 CA ALA A 20 -11.927 -10.078 3.150 1.00 0.00 C ATOM 175 C ALA A 20 -11.232 -8.759 3.323 1.00 0.00 C ATOM 176 O ALA A 20 -11.341 -7.876 2.475 1.00 0.00 O ATOM 177 CB ALA A 20 -13.046 -10.179 4.210 1.00 0.00 C ATOM 0 H ALA A 20 -11.099 -11.696 4.119 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.371 -10.146 2.157 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.734 -9.342 4.094 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.588 -11.115 4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.606 -10.151 5.207 1.00 0.00 H new ATOM 183 N GLU A 21 -10.487 -8.620 4.444 1.00 0.00 N ATOM 184 CA GLU A 21 -9.843 -7.399 4.853 1.00 0.00 C ATOM 185 C GLU A 21 -8.442 -7.308 4.313 1.00 0.00 C ATOM 186 O GLU A 21 -7.565 -6.810 5.011 1.00 0.00 O ATOM 187 CB GLU A 21 -9.784 -7.215 6.403 1.00 0.00 C ATOM 188 CG GLU A 21 -9.215 -8.398 7.212 1.00 0.00 C ATOM 189 CD GLU A 21 -10.227 -9.542 7.347 1.00 0.00 C ATOM 190 OE1 GLU A 21 -11.316 -9.308 7.937 1.00 0.00 O ATOM 191 OE2 GLU A 21 -9.925 -10.663 6.860 1.00 0.00 O ATOM 0 H GLU A 21 -10.327 -9.391 5.092 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.463 -6.604 4.438 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.183 -6.332 6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.793 -7.010 6.761 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.312 -8.768 6.726 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.924 -8.052 8.204 1.00 0.00 H new ATOM 198 N GLU A 22 -8.195 -7.716 3.045 1.00 0.00 N ATOM 199 CA GLU A 22 -6.912 -7.536 2.424 1.00 0.00 C ATOM 200 C GLU A 22 -7.128 -7.254 0.980 1.00 0.00 C ATOM 201 O GLU A 22 -8.147 -7.614 0.391 1.00 0.00 O ATOM 202 CB GLU A 22 -5.967 -8.760 2.588 1.00 0.00 C ATOM 203 CG GLU A 22 -6.348 -10.101 1.940 1.00 0.00 C ATOM 204 CD GLU A 22 -6.104 -10.145 0.433 1.00 0.00 C ATOM 205 OE1 GLU A 22 -4.955 -9.853 0.016 1.00 0.00 O ATOM 206 OE2 GLU A 22 -7.059 -10.474 -0.322 1.00 0.00 O ATOM 0 H GLU A 22 -8.888 -8.171 2.451 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.416 -6.704 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.991 -8.474 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.843 -8.937 3.656 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.778 -10.899 2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.401 -10.302 2.135 1.00 0.00 H new ATOM 213 N VAL A 23 -6.127 -6.566 0.395 1.00 0.00 N ATOM 214 CA VAL A 23 -6.010 -6.325 -1.013 1.00 0.00 C ATOM 215 C VAL A 23 -4.581 -6.698 -1.244 1.00 0.00 C ATOM 216 O VAL A 23 -3.717 -6.350 -0.439 1.00 0.00 O ATOM 217 CB VAL A 23 -6.208 -4.874 -1.415 1.00 0.00 C ATOM 218 CG1 VAL A 23 -6.106 -4.700 -2.945 1.00 0.00 C ATOM 219 CG2 VAL A 23 -7.536 -4.355 -0.855 1.00 0.00 C ATOM 0 H VAL A 23 -5.361 -6.158 0.931 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.763 -6.869 -1.583 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.408 -4.272 -0.984 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.252 -3.651 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.121 -5.023 -3.283 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.873 -5.303 -3.432 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.672 -3.314 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.357 -4.953 -1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.526 -4.429 0.232 1.00 0.00 H new ATOM 229 N GLN A 24 -4.297 -7.405 -2.360 1.00 0.00 N ATOM 230 CA GLN A 24 -2.973 -7.913 -2.623 1.00 0.00 C ATOM 231 C GLN A 24 -2.243 -6.843 -3.364 1.00 0.00 C ATOM 232 O GLN A 24 -2.777 -6.216 -4.279 1.00 0.00 O ATOM 233 CB GLN A 24 -2.936 -9.183 -3.504 1.00 0.00 C ATOM 234 CG GLN A 24 -3.615 -10.396 -2.849 1.00 0.00 C ATOM 235 CD GLN A 24 -3.514 -11.615 -3.769 1.00 0.00 C ATOM 236 OE1 GLN A 24 -4.517 -12.045 -4.336 1.00 0.00 O ATOM 237 NE2 GLN A 24 -2.289 -12.189 -3.921 1.00 0.00 N ATOM 0 H GLN A 24 -4.983 -7.626 -3.082 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.533 -8.182 -1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.424 -8.971 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.899 -9.432 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.143 -10.614 -1.891 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -4.662 -10.170 -2.645 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.481 -11.803 -3.433 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.179 -13.005 -4.522 1.00 0.00 H new ATOM 246 N CYS A 25 -0.993 -6.601 -2.926 1.00 0.00 N ATOM 247 CA CYS A 25 -0.176 -5.549 -3.445 1.00 0.00 C ATOM 248 C CYS A 25 1.206 -6.129 -3.476 1.00 0.00 C ATOM 249 O CYS A 25 1.960 -5.985 -2.518 1.00 0.00 O ATOM 250 CB CYS A 25 -0.215 -4.279 -2.550 1.00 0.00 C ATOM 251 SG CYS A 25 0.616 -2.867 -3.347 1.00 0.00 S ATOM 0 H CYS A 25 -0.541 -7.150 -2.195 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.523 -5.223 -4.425 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.251 -4.017 -2.335 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.265 -4.492 -1.595 1.00 0.00 H new ATOM 0 HG CYS A 25 0.557 -1.831 -2.565 1.00 0.00 H new ATOM 257 N ASP A 26 1.549 -6.812 -4.595 1.00 0.00 N ATOM 258 CA ASP A 26 2.833 -7.431 -4.838 1.00 0.00 C ATOM 259 C ASP A 26 3.014 -8.632 -3.932 1.00 0.00 C ATOM 260 O ASP A 26 2.319 -9.635 -4.090 1.00 0.00 O ATOM 261 CB ASP A 26 4.031 -6.424 -4.814 1.00 0.00 C ATOM 262 CG ASP A 26 5.329 -6.971 -5.440 1.00 0.00 C ATOM 263 OD1 ASP A 26 5.323 -8.088 -6.025 1.00 0.00 O ATOM 264 OD2 ASP A 26 6.358 -6.251 -5.336 1.00 0.00 O ATOM 0 H ASP A 26 0.899 -6.940 -5.371 1.00 0.00 H new ATOM 0 HA ASP A 26 2.837 -7.797 -5.865 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.739 -5.517 -5.344 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.231 -6.139 -3.781 1.00 0.00 H new ATOM 269 N GLY A 27 3.963 -8.551 -2.968 1.00 0.00 N ATOM 270 CA GLY A 27 4.362 -9.662 -2.139 1.00 0.00 C ATOM 271 C GLY A 27 3.545 -9.711 -0.887 1.00 0.00 C ATOM 272 O GLY A 27 3.201 -10.791 -0.409 1.00 0.00 O ATOM 0 H GLY A 27 4.467 -7.689 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.245 -10.594 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.418 -9.572 -1.886 1.00 0.00 H new ATOM 276 N ARG A 28 3.223 -8.525 -0.319 1.00 0.00 N ATOM 277 CA ARG A 28 2.481 -8.385 0.903 1.00 0.00 C ATOM 278 C ARG A 28 1.070 -8.079 0.501 1.00 0.00 C ATOM 279 O ARG A 28 0.740 -8.010 -0.682 1.00 0.00 O ATOM 280 CB ARG A 28 3.024 -7.228 1.809 1.00 0.00 C ATOM 281 CG ARG A 28 2.893 -5.798 1.264 1.00 0.00 C ATOM 282 CD ARG A 28 3.799 -5.373 0.090 1.00 0.00 C ATOM 283 NE ARG A 28 5.236 -5.434 0.505 1.00 0.00 N ATOM 284 CZ ARG A 28 6.248 -5.056 -0.339 1.00 0.00 C ATOM 285 NH1 ARG A 28 6.000 -4.565 -1.590 1.00 0.00 N ATOM 286 NH2 ARG A 28 7.540 -5.173 0.085 1.00 0.00 N ATOM 0 H ARG A 28 3.491 -7.630 -0.729 1.00 0.00 H new ATOM 0 HA ARG A 28 2.566 -9.300 1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.505 -7.275 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.078 -7.420 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.858 -5.655 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.076 -5.110 2.090 1.00 0.00 H new ATOM 0 HD2 ARG A 28 3.631 -6.027 -0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.546 -4.361 -0.228 1.00 0.00 H new ATOM 0 HE ARG A 28 5.468 -5.766 1.441 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.039 -4.471 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.776 -4.292 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.740 -5.537 1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.306 -4.897 -0.530 1.00 0.00 H new ATOM 300 N SER A 29 0.198 -7.884 1.506 1.00 0.00 N ATOM 301 CA SER A 29 -1.087 -7.346 1.383 1.00 0.00 C ATOM 302 C SER A 29 -1.062 -6.299 2.444 1.00 0.00 C ATOM 303 O SER A 29 -0.188 -6.287 3.312 1.00 0.00 O ATOM 304 CB SER A 29 -2.204 -8.324 1.748 1.00 0.00 C ATOM 305 OG SER A 29 -2.174 -9.478 0.919 1.00 0.00 O ATOM 0 H SER A 29 0.427 -8.127 2.470 1.00 0.00 H new ATOM 0 HA SER A 29 -1.289 -7.029 0.360 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.103 -8.621 2.792 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.170 -7.829 1.650 1.00 0.00 H new ATOM 0 HG SER A 29 -3.073 -9.653 0.570 1.00 0.00 H new ATOM 311 N PHE A 30 -2.051 -5.397 2.407 1.00 0.00 N ATOM 312 CA PHE A 30 -2.266 -4.494 3.504 1.00 0.00 C ATOM 313 C PHE A 30 -3.686 -4.642 3.786 1.00 0.00 C ATOM 314 O PHE A 30 -4.429 -5.210 2.984 1.00 0.00 O ATOM 315 CB PHE A 30 -2.147 -3.004 3.177 1.00 0.00 C ATOM 316 CG PHE A 30 -0.810 -2.811 2.530 1.00 0.00 C ATOM 317 CD1 PHE A 30 0.326 -2.824 3.364 1.00 0.00 C ATOM 318 CD2 PHE A 30 -0.632 -2.797 1.130 1.00 0.00 C ATOM 319 CE1 PHE A 30 1.615 -2.792 2.819 1.00 0.00 C ATOM 320 CE2 PHE A 30 0.656 -2.662 0.600 1.00 0.00 C ATOM 321 CZ PHE A 30 1.776 -2.646 1.439 1.00 0.00 C ATOM 0 H PHE A 30 -2.701 -5.287 1.629 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.531 -4.733 4.273 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.949 -2.689 2.509 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.230 -2.401 4.081 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.201 -2.859 4.436 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.484 -2.890 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 30 2.479 -2.880 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.787 -2.569 -0.468 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.764 -2.521 1.020 1.00 0.00 H new ATOM 331 N HIS A 31 -4.118 -4.069 4.926 1.00 0.00 N ATOM 332 CA HIS A 31 -5.511 -4.071 5.210 1.00 0.00 C ATOM 333 C HIS A 31 -6.252 -3.208 4.266 1.00 0.00 C ATOM 334 O HIS A 31 -5.792 -2.192 3.761 1.00 0.00 O ATOM 335 CB HIS A 31 -5.947 -3.715 6.624 1.00 0.00 C ATOM 336 CG HIS A 31 -5.276 -4.561 7.602 1.00 0.00 C ATOM 337 ND1 HIS A 31 -4.324 -4.191 8.503 1.00 0.00 N ATOM 338 CD2 HIS A 31 -5.538 -5.860 7.779 1.00 0.00 C ATOM 339 CE1 HIS A 31 -4.054 -5.244 9.251 1.00 0.00 C ATOM 340 NE2 HIS A 31 -4.769 -6.270 8.820 1.00 0.00 N ATOM 0 H HIS A 31 -3.524 -3.621 5.624 1.00 0.00 H new ATOM 0 HA HIS A 31 -5.758 -5.126 5.093 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -5.721 -2.668 6.826 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -7.027 -3.831 6.716 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -6.226 -6.464 7.206 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -3.362 -5.265 10.080 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -4.746 -7.214 9.206 1.00 0.00 H new ATOM 348 N ARG A 32 -7.440 -3.724 4.009 1.00 0.00 N ATOM 349 CA ARG A 32 -8.485 -3.189 3.156 1.00 0.00 C ATOM 350 C ARG A 32 -8.698 -1.697 3.330 1.00 0.00 C ATOM 351 O ARG A 32 -8.663 -0.950 2.353 1.00 0.00 O ATOM 352 CB ARG A 32 -9.816 -3.937 3.379 1.00 0.00 C ATOM 353 CG ARG A 32 -11.023 -3.433 2.568 1.00 0.00 C ATOM 354 CD ARG A 32 -12.222 -4.395 2.587 1.00 0.00 C ATOM 355 NE ARG A 32 -12.592 -4.691 4.012 1.00 0.00 N ATOM 356 CZ ARG A 32 -13.457 -5.697 4.354 1.00 0.00 C ATOM 357 NH1 ARG A 32 -14.117 -6.432 3.410 1.00 0.00 N ATOM 358 NH2 ARG A 32 -13.662 -5.973 5.674 1.00 0.00 N ATOM 0 H ARG A 32 -7.723 -4.609 4.431 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.143 -3.346 2.133 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.661 -4.990 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.067 -3.881 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.337 -2.467 2.962 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.714 -3.271 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -13.069 -3.951 2.063 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.972 -5.318 2.064 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.184 -4.122 4.753 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.972 -6.238 2.419 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.755 -7.175 3.696 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.175 -5.434 6.389 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.303 -6.719 5.946 1.00 0.00 H new ATOM 372 N CYS A 33 -8.891 -1.232 4.589 1.00 0.00 N ATOM 373 CA CYS A 33 -9.072 0.168 4.903 1.00 0.00 C ATOM 374 C CYS A 33 -7.745 0.825 5.137 1.00 0.00 C ATOM 375 O CYS A 33 -7.491 1.917 4.630 1.00 0.00 O ATOM 376 CB CYS A 33 -9.850 0.394 6.210 1.00 0.00 C ATOM 377 SG CYS A 33 -11.541 -0.277 6.134 1.00 0.00 S ATOM 0 H CYS A 33 -8.922 -1.840 5.407 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.615 0.581 4.053 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -9.313 -0.074 7.035 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.895 1.462 6.423 1.00 0.00 H new ATOM 0 HG CYS A 33 -12.146 -0.059 7.264 1.00 0.00 H new ATOM 383 N CYS A 34 -6.880 0.151 5.938 1.00 0.00 N ATOM 384 CA CYS A 34 -5.589 0.626 6.374 1.00 0.00 C ATOM 385 C CYS A 34 -4.661 0.151 5.294 1.00 0.00 C ATOM 386 O CYS A 34 -3.945 -0.841 5.414 1.00 0.00 O ATOM 387 CB CYS A 34 -5.263 0.092 7.809 1.00 0.00 C ATOM 388 SG CYS A 34 -3.516 -0.134 8.311 1.00 0.00 S ATOM 0 H CYS A 34 -7.096 -0.778 6.301 1.00 0.00 H new ATOM 0 HA CYS A 34 -5.514 1.707 6.489 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.723 0.774 8.524 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -5.762 -0.870 7.921 1.00 0.00 H new ATOM 393 N PHE A 35 -4.715 0.894 4.170 1.00 0.00 N ATOM 394 CA PHE A 35 -4.057 0.554 2.941 1.00 0.00 C ATOM 395 C PHE A 35 -3.204 1.762 2.695 1.00 0.00 C ATOM 396 O PHE A 35 -3.691 2.883 2.798 1.00 0.00 O ATOM 397 CB PHE A 35 -5.123 0.368 1.828 1.00 0.00 C ATOM 398 CG PHE A 35 -4.566 -0.330 0.630 1.00 0.00 C ATOM 399 CD1 PHE A 35 -4.404 -1.723 0.617 1.00 0.00 C ATOM 400 CD2 PHE A 35 -4.205 0.401 -0.504 1.00 0.00 C ATOM 401 CE1 PHE A 35 -3.824 -2.368 -0.480 1.00 0.00 C ATOM 402 CE2 PHE A 35 -3.683 -0.237 -1.630 1.00 0.00 C ATOM 403 CZ PHE A 35 -3.481 -1.624 -1.622 1.00 0.00 C ATOM 0 H PHE A 35 -5.239 1.768 4.115 1.00 0.00 H new ATOM 0 HA PHE A 35 -3.480 -0.370 2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.963 -0.204 2.223 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -5.512 1.342 1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.732 -2.305 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.331 1.474 -0.510 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.641 -3.432 -0.450 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.434 0.339 -2.509 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.065 -2.118 -2.488 1.00 0.00 H new ATOM 413 N LEU A 36 -1.886 1.571 2.444 1.00 0.00 N ATOM 414 CA LEU A 36 -0.982 2.671 2.390 1.00 0.00 C ATOM 415 C LEU A 36 0.108 2.545 1.362 1.00 0.00 C ATOM 416 O LEU A 36 0.353 1.491 0.775 1.00 0.00 O ATOM 417 CB LEU A 36 -0.291 2.696 3.780 1.00 0.00 C ATOM 418 CG LEU A 36 0.239 1.332 4.362 1.00 0.00 C ATOM 419 CD1 LEU A 36 -0.777 0.284 4.882 1.00 0.00 C ATOM 420 CD2 LEU A 36 1.419 0.658 3.634 1.00 0.00 C ATOM 0 H LEU A 36 -1.459 0.659 2.281 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.551 3.562 2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.551 3.385 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.997 3.114 4.497 1.00 0.00 H new ATOM 0 HG LEU A 36 0.646 1.776 5.270 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.241 -0.593 5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.361 0.716 5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.444 -0.009 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.678 -0.270 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.135 0.440 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.280 1.327 3.639 1.00 0.00 H new ATOM 432 N CYS A 37 0.788 3.700 1.154 1.00 0.00 N ATOM 433 CA CYS A 37 2.044 3.892 0.473 1.00 0.00 C ATOM 434 C CYS A 37 3.077 3.370 1.417 1.00 0.00 C ATOM 435 O CYS A 37 3.061 3.697 2.598 1.00 0.00 O ATOM 436 CB CYS A 37 2.271 5.407 0.342 1.00 0.00 C ATOM 437 SG CYS A 37 3.590 6.030 -0.709 1.00 0.00 S ATOM 0 H CYS A 37 0.418 4.586 1.499 1.00 0.00 H new ATOM 0 HA CYS A 37 2.075 3.410 -0.504 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.338 5.845 -0.014 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.444 5.797 1.345 1.00 0.00 H new ATOM 442 N MET A 38 4.012 2.539 0.923 1.00 0.00 N ATOM 443 CA MET A 38 5.083 2.016 1.734 1.00 0.00 C ATOM 444 C MET A 38 6.166 3.064 1.832 1.00 0.00 C ATOM 445 O MET A 38 7.061 2.960 2.671 1.00 0.00 O ATOM 446 CB MET A 38 5.633 0.706 1.130 1.00 0.00 C ATOM 447 CG MET A 38 6.573 -0.117 2.018 1.00 0.00 C ATOM 448 SD MET A 38 6.969 -1.743 1.303 1.00 0.00 S ATOM 449 CE MET A 38 8.002 -2.304 2.686 1.00 0.00 C ATOM 0 H MET A 38 4.031 2.223 -0.047 1.00 0.00 H new ATOM 0 HA MET A 38 4.712 1.782 2.732 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.787 0.077 0.854 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.162 0.951 0.209 1.00 0.00 H new ATOM 0 HG2 MET A 38 7.496 0.440 2.177 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.113 -0.257 2.996 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.375 -3.307 2.478 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.844 -1.623 2.811 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.409 -2.319 3.600 1.00 0.00 H new ATOM 459 N VAL A 39 6.078 4.131 0.990 1.00 0.00 N ATOM 460 CA VAL A 39 7.068 5.192 0.981 1.00 0.00 C ATOM 461 C VAL A 39 6.650 6.250 1.954 1.00 0.00 C ATOM 462 O VAL A 39 7.102 6.275 3.098 1.00 0.00 O ATOM 463 CB VAL A 39 7.344 5.882 -0.361 1.00 0.00 C ATOM 464 CG1 VAL A 39 8.770 6.437 -0.329 1.00 0.00 C ATOM 465 CG2 VAL A 39 7.017 4.939 -1.495 1.00 0.00 C ATOM 0 H VAL A 39 5.323 4.259 0.316 1.00 0.00 H new ATOM 0 HA VAL A 39 7.998 4.686 1.241 1.00 0.00 H new ATOM 0 HB VAL A 39 6.697 6.742 -0.536 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.989 6.933 -1.275 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.863 7.154 0.487 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.475 5.620 -0.176 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.214 5.432 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 39 7.635 4.045 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.965 4.658 -1.443 1.00 0.00 H new ATOM 475 N CYS A 40 5.764 7.157 1.487 1.00 0.00 N ATOM 476 CA CYS A 40 5.385 8.343 2.195 1.00 0.00 C ATOM 477 C CYS A 40 4.420 8.063 3.305 1.00 0.00 C ATOM 478 O CYS A 40 4.551 8.598 4.405 1.00 0.00 O ATOM 479 CB CYS A 40 4.836 9.337 1.157 1.00 0.00 C ATOM 480 SG CYS A 40 3.095 9.241 0.657 1.00 0.00 S ATOM 0 H CYS A 40 5.297 7.059 0.585 1.00 0.00 H new ATOM 0 HA CYS A 40 6.250 8.776 2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 40 5.009 10.341 1.544 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.440 9.234 0.256 1.00 0.00 H new ATOM 485 N ARG A 41 3.442 7.200 2.965 1.00 0.00 N ATOM 486 CA ARG A 41 2.341 6.712 3.780 1.00 0.00 C ATOM 487 C ARG A 41 1.170 7.654 3.675 1.00 0.00 C ATOM 488 O ARG A 41 0.745 8.193 4.696 1.00 0.00 O ATOM 489 CB ARG A 41 2.662 6.415 5.282 1.00 0.00 C ATOM 490 CG ARG A 41 3.797 5.400 5.508 1.00 0.00 C ATOM 491 CD ARG A 41 3.306 3.965 5.745 1.00 0.00 C ATOM 492 NE ARG A 41 4.474 3.035 5.589 1.00 0.00 N ATOM 493 CZ ARG A 41 4.401 1.706 5.904 1.00 0.00 C ATOM 494 NH1 ARG A 41 3.278 1.167 6.461 1.00 0.00 N ATOM 495 NH2 ARG A 41 5.475 0.901 5.659 1.00 0.00 N ATOM 0 H ARG A 41 3.411 6.799 2.028 1.00 0.00 H new ATOM 0 HA ARG A 41 2.106 5.733 3.361 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.926 7.351 5.775 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.759 6.043 5.766 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.458 5.409 4.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 4.390 5.717 6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.876 3.871 6.742 1.00 0.00 H new ATOM 0 HD3 ARG A 41 2.520 3.710 5.034 1.00 0.00 H new ATOM 0 HE ARG A 41 5.355 3.408 5.235 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.469 1.758 6.651 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.248 0.173 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.321 1.292 5.245 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.432 -0.092 5.890 1.00 0.00 H new ATOM 509 N LYS A 42 0.594 7.896 2.450 1.00 0.00 N ATOM 510 CA LYS A 42 -0.624 8.665 2.346 1.00 0.00 C ATOM 511 C LYS A 42 -1.760 7.697 2.575 1.00 0.00 C ATOM 512 O LYS A 42 -1.553 6.484 2.522 1.00 0.00 O ATOM 513 CB LYS A 42 -0.634 9.524 1.048 1.00 0.00 C ATOM 514 CG LYS A 42 -1.888 9.622 0.177 1.00 0.00 C ATOM 515 CD LYS A 42 -2.108 8.358 -0.647 1.00 0.00 C ATOM 516 CE LYS A 42 -2.928 8.591 -1.920 1.00 0.00 C ATOM 517 NZ LYS A 42 -4.311 9.012 -1.602 1.00 0.00 N ATOM 0 H LYS A 42 0.969 7.564 1.561 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.729 9.439 3.106 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.365 10.540 1.336 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.168 9.150 0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.757 9.798 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -1.801 10.480 -0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.139 7.939 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.614 7.615 -0.030 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.445 9.354 -2.531 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.952 7.676 -2.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.941 8.760 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.630 8.531 -0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.335 10.041 -1.455 1.00 0.00 H new ATOM 531 N ASN A 43 -2.986 8.209 2.857 1.00 0.00 N ATOM 532 CA ASN A 43 -4.159 7.395 3.090 1.00 0.00 C ATOM 533 C ASN A 43 -4.660 6.878 1.767 1.00 0.00 C ATOM 534 O ASN A 43 -5.385 7.558 1.042 1.00 0.00 O ATOM 535 CB ASN A 43 -5.309 8.165 3.789 1.00 0.00 C ATOM 536 CG ASN A 43 -4.843 8.604 5.183 1.00 0.00 C ATOM 537 OD1 ASN A 43 -4.591 7.759 6.041 1.00 0.00 O ATOM 538 ND2 ASN A 43 -4.721 9.939 5.422 1.00 0.00 N ATOM 0 H ASN A 43 -3.167 9.211 2.925 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.861 6.585 3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.594 9.034 3.197 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -6.192 7.531 3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.412 10.267 6.337 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -4.939 10.611 4.686 1.00 0.00 H new ATOM 545 N LEU A 44 -4.234 5.639 1.435 1.00 0.00 N ATOM 546 CA LEU A 44 -4.476 4.972 0.184 1.00 0.00 C ATOM 547 C LEU A 44 -5.621 4.027 0.453 1.00 0.00 C ATOM 548 O LEU A 44 -5.991 3.807 1.610 1.00 0.00 O ATOM 549 CB LEU A 44 -3.184 4.231 -0.265 1.00 0.00 C ATOM 550 CG LEU A 44 -3.077 3.732 -1.722 1.00 0.00 C ATOM 551 CD1 LEU A 44 -3.212 4.851 -2.765 1.00 0.00 C ATOM 552 CD2 LEU A 44 -1.751 2.968 -1.895 1.00 0.00 C ATOM 0 H LEU A 44 -3.687 5.069 2.080 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.732 5.654 -0.627 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.342 4.898 -0.083 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.055 3.368 0.389 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.920 3.066 -1.904 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.127 4.428 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.183 5.334 -2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.422 5.587 -2.614 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.668 2.612 -2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.916 3.633 -1.672 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.729 2.118 -1.213 1.00 0.00 H new ATOM 564 N ASP A 45 -6.240 3.470 -0.612 1.00 0.00 N ATOM 565 CA ASP A 45 -7.445 2.696 -0.448 1.00 0.00 C ATOM 566 C ASP A 45 -7.664 1.991 -1.754 1.00 0.00 C ATOM 567 O ASP A 45 -6.705 1.599 -2.419 1.00 0.00 O ATOM 568 CB ASP A 45 -8.702 3.516 0.022 1.00 0.00 C ATOM 569 CG ASP A 45 -9.054 4.720 -0.878 1.00 0.00 C ATOM 570 OD1 ASP A 45 -8.234 5.672 -0.982 1.00 0.00 O ATOM 571 OD2 ASP A 45 -10.171 4.699 -1.462 1.00 0.00 O ATOM 0 H ASP A 45 -5.913 3.552 -1.575 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.314 1.991 0.373 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.561 2.847 0.065 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.527 3.875 1.036 1.00 0.00 H new ATOM 576 N SER A 46 -8.947 1.815 -2.149 1.00 0.00 N ATOM 577 CA SER A 46 -9.347 1.212 -3.394 1.00 0.00 C ATOM 578 C SER A 46 -9.587 2.310 -4.398 1.00 0.00 C ATOM 579 O SER A 46 -10.581 2.302 -5.123 1.00 0.00 O ATOM 580 CB SER A 46 -10.637 0.366 -3.245 1.00 0.00 C ATOM 581 OG SER A 46 -10.431 -0.687 -2.313 1.00 0.00 O ATOM 0 H SER A 46 -9.739 2.106 -1.576 1.00 0.00 H new ATOM 0 HA SER A 46 -8.552 0.542 -3.722 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.459 1.000 -2.912 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.924 -0.046 -4.212 1.00 0.00 H new ATOM 0 HG SER A 46 -11.253 -1.213 -2.227 1.00 0.00 H new ATOM 587 N THR A 47 -8.632 3.272 -4.482 1.00 0.00 N ATOM 588 CA THR A 47 -8.544 4.258 -5.533 1.00 0.00 C ATOM 589 C THR A 47 -7.799 3.546 -6.630 1.00 0.00 C ATOM 590 O THR A 47 -8.423 2.974 -7.523 1.00 0.00 O ATOM 591 CB THR A 47 -7.864 5.561 -5.119 1.00 0.00 C ATOM 592 OG1 THR A 47 -6.782 5.355 -4.213 1.00 0.00 O ATOM 593 CG2 THR A 47 -8.925 6.456 -4.447 1.00 0.00 C ATOM 0 H THR A 47 -7.891 3.366 -3.788 1.00 0.00 H new ATOM 0 HA THR A 47 -9.534 4.599 -5.837 1.00 0.00 H new ATOM 0 HB THR A 47 -7.446 6.027 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.381 6.218 -3.981 1.00 0.00 H new ATOM 0 HG21 THR A 47 -8.467 7.396 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.730 6.658 -5.153 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.329 5.947 -3.572 1.00 0.00 H new ATOM 601 N THR A 48 -6.448 3.526 -6.562 1.00 0.00 N ATOM 602 CA THR A 48 -5.626 2.693 -7.365 1.00 0.00 C ATOM 603 C THR A 48 -4.749 2.098 -6.289 1.00 0.00 C ATOM 604 O THR A 48 -5.238 1.685 -5.238 1.00 0.00 O ATOM 605 CB THR A 48 -4.868 3.451 -8.463 1.00 0.00 C ATOM 606 OG1 THR A 48 -4.238 4.634 -7.974 1.00 0.00 O ATOM 607 CG2 THR A 48 -5.874 3.841 -9.568 1.00 0.00 C ATOM 0 H THR A 48 -5.919 4.116 -5.920 1.00 0.00 H new ATOM 0 HA THR A 48 -6.157 1.957 -7.968 1.00 0.00 H new ATOM 0 HB THR A 48 -4.084 2.797 -8.845 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.767 5.081 -8.708 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.354 4.382 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.328 2.940 -9.982 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.651 4.477 -9.144 1.00 0.00 H new ATOM 615 N VAL A 49 -3.442 2.070 -6.590 1.00 0.00 N ATOM 616 CA VAL A 49 -2.284 1.514 -5.955 1.00 0.00 C ATOM 617 C VAL A 49 -1.243 1.483 -7.049 1.00 0.00 C ATOM 618 O VAL A 49 -1.583 1.539 -8.231 1.00 0.00 O ATOM 619 CB VAL A 49 -2.489 0.231 -5.233 1.00 0.00 C ATOM 620 CG1 VAL A 49 -2.772 -0.812 -6.273 1.00 0.00 C ATOM 621 CG2 VAL A 49 -1.321 -0.124 -4.287 1.00 0.00 C ATOM 0 H VAL A 49 -3.148 2.531 -7.451 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.966 2.127 -5.112 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.337 0.306 -4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.930 -1.775 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.666 -0.536 -6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.926 -0.884 -6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.531 -1.071 -3.790 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.400 -0.213 -4.863 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.207 0.661 -3.539 1.00 0.00 H new ATOM 631 N ALA A 50 0.053 1.396 -6.686 1.00 0.00 N ATOM 632 CA ALA A 50 1.095 1.187 -7.652 1.00 0.00 C ATOM 633 C ALA A 50 2.187 0.436 -6.963 1.00 0.00 C ATOM 634 O ALA A 50 2.242 0.368 -5.738 1.00 0.00 O ATOM 635 CB ALA A 50 1.687 2.498 -8.198 1.00 0.00 C ATOM 0 H ALA A 50 0.380 1.470 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 50 0.670 0.649 -8.499 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.469 2.270 -8.923 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.901 3.078 -8.682 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.111 3.076 -7.377 1.00 0.00 H new ATOM 641 N ILE A 51 3.096 -0.156 -7.765 1.00 0.00 N ATOM 642 CA ILE A 51 4.288 -0.788 -7.298 1.00 0.00 C ATOM 643 C ILE A 51 5.389 -0.148 -8.092 1.00 0.00 C ATOM 644 O ILE A 51 5.206 0.200 -9.259 1.00 0.00 O ATOM 645 CB ILE A 51 4.239 -2.305 -7.479 1.00 0.00 C ATOM 646 CG1 ILE A 51 5.300 -3.040 -6.638 1.00 0.00 C ATOM 647 CG2 ILE A 51 4.252 -2.726 -8.969 1.00 0.00 C ATOM 648 CD1 ILE A 51 5.020 -2.903 -5.147 1.00 0.00 C ATOM 0 H ILE A 51 2.993 -0.194 -8.779 1.00 0.00 H new ATOM 0 HA ILE A 51 4.435 -0.652 -6.226 1.00 0.00 H new ATOM 0 HB ILE A 51 3.275 -2.627 -7.085 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.316 -4.095 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.288 -2.637 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.216 -3.813 -9.040 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.386 -2.300 -9.475 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.164 -2.362 -9.442 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.787 -3.433 -4.583 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.029 -1.849 -4.870 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.043 -3.329 -4.920 1.00 0.00 H new ATOM 660 N HIS A 52 6.567 0.044 -7.462 1.00 0.00 N ATOM 661 CA HIS A 52 7.740 0.446 -8.183 1.00 0.00 C ATOM 662 C HIS A 52 8.870 -0.149 -7.409 1.00 0.00 C ATOM 663 O HIS A 52 9.111 0.227 -6.263 1.00 0.00 O ATOM 664 CB HIS A 52 7.921 1.979 -8.314 1.00 0.00 C ATOM 665 CG HIS A 52 8.978 2.382 -9.307 1.00 0.00 C ATOM 666 ND1 HIS A 52 10.321 2.277 -9.061 1.00 0.00 N ATOM 667 CD2 HIS A 52 8.842 2.864 -10.564 1.00 0.00 C ATOM 668 CE1 HIS A 52 10.976 2.687 -10.138 1.00 0.00 C ATOM 669 NE2 HIS A 52 10.101 3.049 -11.065 1.00 0.00 N ATOM 0 H HIS A 52 6.706 -0.078 -6.459 1.00 0.00 H new ATOM 0 HA HIS A 52 7.679 0.103 -9.216 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.970 2.424 -8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.177 2.390 -7.338 1.00 0.00 H new ATOM 0 HD2 HIS A 52 7.913 3.065 -11.076 1.00 0.00 H new ATOM 0 HE1 HIS A 52 12.050 2.721 -10.243 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.328 3.405 -11.994 1.00 0.00 H new ATOM 677 N ASP A 53 9.571 -1.117 -8.044 1.00 0.00 N ATOM 678 CA ASP A 53 10.713 -1.816 -7.509 1.00 0.00 C ATOM 679 C ASP A 53 10.292 -2.681 -6.338 1.00 0.00 C ATOM 680 O ASP A 53 9.470 -3.582 -6.496 1.00 0.00 O ATOM 681 CB ASP A 53 11.932 -0.876 -7.223 1.00 0.00 C ATOM 682 CG ASP A 53 13.277 -1.617 -7.083 1.00 0.00 C ATOM 683 OD1 ASP A 53 13.332 -2.864 -7.268 1.00 0.00 O ATOM 684 OD2 ASP A 53 14.282 -0.917 -6.787 1.00 0.00 O ATOM 0 H ASP A 53 9.327 -1.430 -8.984 1.00 0.00 H new ATOM 0 HA ASP A 53 11.095 -2.491 -8.275 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.013 -0.147 -8.030 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.740 -0.317 -6.307 1.00 0.00 H new ATOM 689 N ALA A 54 10.865 -2.423 -5.140 1.00 0.00 N ATOM 690 CA ALA A 54 10.708 -3.249 -3.970 1.00 0.00 C ATOM 691 C ALA A 54 9.609 -2.759 -3.070 1.00 0.00 C ATOM 692 O ALA A 54 9.213 -3.481 -2.157 1.00 0.00 O ATOM 693 CB ALA A 54 12.006 -3.260 -3.133 1.00 0.00 C ATOM 0 H ALA A 54 11.459 -1.610 -4.980 1.00 0.00 H new ATOM 0 HA ALA A 54 10.464 -4.246 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.867 -3.889 -2.254 1.00 0.00 H new ATOM 0 HB2 ALA A 54 12.824 -3.654 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.244 -2.244 -2.818 1.00 0.00 H new ATOM 699 N GLU A 55 9.092 -1.526 -3.294 1.00 0.00 N ATOM 700 CA GLU A 55 8.165 -0.907 -2.377 1.00 0.00 C ATOM 701 C GLU A 55 6.974 -0.391 -3.121 1.00 0.00 C ATOM 702 O GLU A 55 6.982 -0.261 -4.343 1.00 0.00 O ATOM 703 CB GLU A 55 8.790 0.256 -1.552 1.00 0.00 C ATOM 704 CG GLU A 55 9.414 1.432 -2.333 1.00 0.00 C ATOM 705 CD GLU A 55 10.781 1.064 -2.926 1.00 0.00 C ATOM 706 OE1 GLU A 55 11.679 0.654 -2.142 1.00 0.00 O ATOM 707 OE2 GLU A 55 10.950 1.195 -4.168 1.00 0.00 O ATOM 0 H GLU A 55 9.316 -0.957 -4.111 1.00 0.00 H new ATOM 0 HA GLU A 55 7.875 -1.684 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.015 0.659 -0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.561 -0.166 -0.908 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.740 1.734 -3.135 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.525 2.290 -1.670 1.00 0.00 H new ATOM 714 N VAL A 56 5.902 -0.098 -2.348 1.00 0.00 N ATOM 715 CA VAL A 56 4.624 0.361 -2.825 1.00 0.00 C ATOM 716 C VAL A 56 4.708 1.845 -2.861 1.00 0.00 C ATOM 717 O VAL A 56 5.131 2.476 -1.897 1.00 0.00 O ATOM 718 CB VAL A 56 3.479 -0.031 -1.899 1.00 0.00 C ATOM 719 CG1 VAL A 56 2.103 0.562 -2.329 1.00 0.00 C ATOM 720 CG2 VAL A 56 3.483 -1.568 -1.827 1.00 0.00 C ATOM 0 H VAL A 56 5.930 -0.187 -1.332 1.00 0.00 H new ATOM 0 HA VAL A 56 4.419 -0.087 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 56 3.631 0.397 -0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.334 0.243 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.161 1.650 -2.334 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.851 0.208 -3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.678 -1.904 -1.173 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.335 -1.979 -2.825 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.439 -1.911 -1.431 1.00 0.00 H new ATOM 730 N TYR A 57 4.287 2.425 -3.999 1.00 0.00 N ATOM 731 CA TYR A 57 4.062 3.835 -4.117 1.00 0.00 C ATOM 732 C TYR A 57 2.578 3.932 -4.186 1.00 0.00 C ATOM 733 O TYR A 57 1.897 3.029 -4.667 1.00 0.00 O ATOM 734 CB TYR A 57 4.656 4.471 -5.403 1.00 0.00 C ATOM 735 CG TYR A 57 6.137 4.715 -5.260 1.00 0.00 C ATOM 736 CD1 TYR A 57 7.057 3.654 -5.141 1.00 0.00 C ATOM 737 CD2 TYR A 57 6.636 6.032 -5.260 1.00 0.00 C ATOM 738 CE1 TYR A 57 8.429 3.903 -5.001 1.00 0.00 C ATOM 739 CE2 TYR A 57 8.007 6.290 -5.128 1.00 0.00 C ATOM 740 CZ TYR A 57 8.906 5.222 -4.989 1.00 0.00 C ATOM 741 OH TYR A 57 10.288 5.471 -4.837 1.00 0.00 O ATOM 0 H TYR A 57 4.099 1.905 -4.856 1.00 0.00 H new ATOM 0 HA TYR A 57 4.538 4.365 -3.292 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.474 3.814 -6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.149 5.413 -5.613 1.00 0.00 H new ATOM 0 HD1 TYR A 57 6.700 2.635 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.949 6.859 -5.364 1.00 0.00 H new ATOM 0 HE1 TYR A 57 9.120 3.079 -4.902 1.00 0.00 H new ATOM 0 HE2 TYR A 57 8.370 7.307 -5.133 1.00 0.00 H new ATOM 0 HH TYR A 57 10.450 6.437 -4.851 1.00 0.00 H new ATOM 751 N CYS A 58 2.037 5.063 -3.702 1.00 0.00 N ATOM 752 CA CYS A 58 0.625 5.261 -3.547 1.00 0.00 C ATOM 753 C CYS A 58 0.089 5.813 -4.831 1.00 0.00 C ATOM 754 O CYS A 58 0.574 5.510 -5.919 1.00 0.00 O ATOM 755 CB CYS A 58 0.498 6.286 -2.376 1.00 0.00 C ATOM 756 SG CYS A 58 1.231 7.935 -2.649 1.00 0.00 S ATOM 0 H CYS A 58 2.595 5.865 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 58 0.066 4.352 -3.326 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -0.561 6.417 -2.151 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.960 5.850 -1.490 1.00 0.00 H new ATOM 761 N LYS A 59 -0.960 6.628 -4.713 1.00 0.00 N ATOM 762 CA LYS A 59 -1.588 7.277 -5.841 1.00 0.00 C ATOM 763 C LYS A 59 -0.788 8.501 -6.212 1.00 0.00 C ATOM 764 O LYS A 59 -0.418 8.691 -7.371 1.00 0.00 O ATOM 765 CB LYS A 59 -3.043 7.685 -5.533 1.00 0.00 C ATOM 766 CG LYS A 59 -3.846 8.151 -6.751 1.00 0.00 C ATOM 767 CD LYS A 59 -5.318 8.400 -6.415 1.00 0.00 C ATOM 768 CE LYS A 59 -6.174 8.717 -7.648 1.00 0.00 C ATOM 769 NZ LYS A 59 -7.594 8.907 -7.268 1.00 0.00 N ATOM 0 H LYS A 59 -1.394 6.852 -3.818 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.612 6.570 -6.670 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.556 6.837 -5.079 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.033 8.485 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.406 9.067 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.777 7.400 -7.538 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.724 7.520 -5.915 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.388 9.228 -5.709 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.799 9.618 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.092 7.906 -8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.155 9.120 -8.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.954 8.038 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.671 9.696 -6.595 1.00 0.00 H new ATOM 783 N SER A 60 -0.501 9.348 -5.195 1.00 0.00 N ATOM 784 CA SER A 60 0.119 10.642 -5.327 1.00 0.00 C ATOM 785 C SER A 60 1.557 10.534 -5.780 1.00 0.00 C ATOM 786 O SER A 60 1.899 11.044 -6.844 1.00 0.00 O ATOM 787 CB SER A 60 0.041 11.434 -3.991 1.00 0.00 C ATOM 788 OG SER A 60 0.437 12.793 -4.148 1.00 0.00 O ATOM 0 H SER A 60 -0.714 9.115 -4.225 1.00 0.00 H new ATOM 0 HA SER A 60 -0.435 11.184 -6.093 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.978 11.396 -3.607 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.679 10.955 -3.249 1.00 0.00 H new ATOM 0 HG SER A 60 0.372 13.254 -3.286 1.00 0.00 H new ATOM 794 N CYS A 61 2.435 9.866 -4.987 1.00 0.00 N ATOM 795 CA CYS A 61 3.857 9.844 -5.222 1.00 0.00 C ATOM 796 C CYS A 61 4.253 9.012 -6.406 1.00 0.00 C ATOM 797 O CYS A 61 5.368 9.156 -6.897 1.00 0.00 O ATOM 798 CB CYS A 61 4.612 9.284 -4.003 1.00 0.00 C ATOM 799 SG CYS A 61 4.006 10.026 -2.468 1.00 0.00 S ATOM 0 H CYS A 61 2.149 9.331 -4.167 1.00 0.00 H new ATOM 0 HA CYS A 61 4.124 10.883 -5.413 1.00 0.00 H new ATOM 0 HB2 CYS A 61 4.490 8.202 -3.961 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.679 9.481 -4.110 1.00 0.00 H new ATOM 804 N TYR A 62 3.357 8.129 -6.911 1.00 0.00 N ATOM 805 CA TYR A 62 3.642 7.344 -8.087 1.00 0.00 C ATOM 806 C TYR A 62 3.528 8.232 -9.298 1.00 0.00 C ATOM 807 O TYR A 62 4.417 8.248 -10.148 1.00 0.00 O ATOM 808 CB TYR A 62 2.680 6.131 -8.253 1.00 0.00 C ATOM 809 CG TYR A 62 3.130 5.241 -9.384 1.00 0.00 C ATOM 810 CD1 TYR A 62 4.398 4.637 -9.335 1.00 0.00 C ATOM 811 CD2 TYR A 62 2.334 5.056 -10.530 1.00 0.00 C ATOM 812 CE1 TYR A 62 4.891 3.916 -10.428 1.00 0.00 C ATOM 813 CE2 TYR A 62 2.806 4.297 -11.613 1.00 0.00 C ATOM 814 CZ TYR A 62 4.093 3.736 -11.567 1.00 0.00 C ATOM 815 OH TYR A 62 4.596 3.013 -12.672 1.00 0.00 O ATOM 0 H TYR A 62 2.437 7.959 -6.506 1.00 0.00 H new ATOM 0 HA TYR A 62 4.650 6.943 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 62 2.646 5.559 -7.326 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.668 6.487 -8.445 1.00 0.00 H new ATOM 0 HD1 TYR A 62 4.999 4.731 -8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 62 1.351 5.502 -10.577 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.886 3.498 -10.394 1.00 0.00 H new ATOM 0 HE2 TYR A 62 2.180 4.145 -12.480 1.00 0.00 H new ATOM 0 HH TYR A 62 3.917 2.980 -13.378 1.00 0.00 H new ATOM 825 N GLY A 63 2.417 8.996 -9.388 1.00 0.00 N ATOM 826 CA GLY A 63 2.109 9.784 -10.553 1.00 0.00 C ATOM 827 C GLY A 63 2.868 11.078 -10.616 1.00 0.00 C ATOM 828 O GLY A 63 2.807 11.758 -11.636 1.00 0.00 O ATOM 0 H GLY A 63 1.723 9.069 -8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.328 9.199 -11.446 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.040 9.997 -10.566 1.00 0.00 H new ATOM 832 N LYS A 64 3.569 11.480 -9.527 1.00 0.00 N ATOM 833 CA LYS A 64 4.225 12.772 -9.447 1.00 0.00 C ATOM 834 C LYS A 64 5.707 12.595 -9.533 1.00 0.00 C ATOM 835 O LYS A 64 6.391 13.446 -10.102 1.00 0.00 O ATOM 836 CB LYS A 64 3.854 13.548 -8.159 1.00 0.00 C ATOM 837 CG LYS A 64 2.588 14.416 -8.311 1.00 0.00 C ATOM 838 CD LYS A 64 1.414 13.755 -9.050 1.00 0.00 C ATOM 839 CE LYS A 64 0.142 14.611 -9.065 1.00 0.00 C ATOM 840 NZ LYS A 64 -0.952 13.915 -9.784 1.00 0.00 N ATOM 0 H LYS A 64 3.684 10.906 -8.692 1.00 0.00 H new ATOM 0 HA LYS A 64 3.874 13.367 -10.290 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.703 12.838 -7.346 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.691 14.186 -7.874 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.249 14.710 -7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.858 15.331 -8.839 1.00 0.00 H new ATOM 0 HD2 LYS A 64 1.713 13.545 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.192 12.797 -8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.168 14.827 -8.043 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.348 15.568 -9.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.804 14.512 -9.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.660 13.731 -10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.161 13.013 -9.310 1.00 0.00 H new ATOM 854 N LYS A 65 6.245 11.476 -8.993 1.00 0.00 N ATOM 855 CA LYS A 65 7.655 11.169 -9.073 1.00 0.00 C ATOM 856 C LYS A 65 7.967 10.740 -10.479 1.00 0.00 C ATOM 857 O LYS A 65 8.939 11.205 -11.075 1.00 0.00 O ATOM 858 CB LYS A 65 8.069 10.027 -8.107 1.00 0.00 C ATOM 859 CG LYS A 65 9.561 9.653 -8.084 1.00 0.00 C ATOM 860 CD LYS A 65 10.491 10.768 -7.594 1.00 0.00 C ATOM 861 CE LYS A 65 11.956 10.319 -7.516 1.00 0.00 C ATOM 862 NZ LYS A 65 12.823 11.421 -7.037 1.00 0.00 N ATOM 0 H LYS A 65 5.697 10.774 -8.495 1.00 0.00 H new ATOM 0 HA LYS A 65 8.209 12.063 -8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.773 10.311 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.498 9.136 -8.368 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.693 8.780 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.864 9.361 -9.089 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.412 11.624 -8.265 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.164 11.103 -6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.043 9.465 -6.845 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.292 9.988 -8.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.809 11.093 -6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.755 12.226 -7.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 12.514 11.719 -6.090 1.00 0.00 H new ATOM 876 N TYR A 66 7.122 9.840 -11.032 1.00 0.00 N ATOM 877 CA TYR A 66 7.360 9.221 -12.309 1.00 0.00 C ATOM 878 C TYR A 66 6.521 9.858 -13.384 1.00 0.00 C ATOM 879 O TYR A 66 6.867 9.711 -14.556 1.00 0.00 O ATOM 880 CB TYR A 66 7.110 7.685 -12.290 1.00 0.00 C ATOM 881 CG TYR A 66 7.982 7.045 -11.231 1.00 0.00 C ATOM 882 CD1 TYR A 66 9.384 7.189 -11.256 1.00 0.00 C ATOM 883 CD2 TYR A 66 7.408 6.321 -10.170 1.00 0.00 C ATOM 884 CE1 TYR A 66 10.182 6.662 -10.230 1.00 0.00 C ATOM 885 CE2 TYR A 66 8.195 5.800 -9.134 1.00 0.00 C ATOM 886 CZ TYR A 66 9.586 5.978 -9.160 1.00 0.00 C ATOM 887 OH TYR A 66 10.386 5.464 -8.117 1.00 0.00 O ATOM 0 H TYR A 66 6.257 9.537 -10.584 1.00 0.00 H new ATOM 0 HA TYR A 66 8.415 9.380 -12.530 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.060 7.479 -12.084 1.00 0.00 H new ATOM 0 HB3 TYR A 66 7.333 7.257 -13.267 1.00 0.00 H new ATOM 0 HD1 TYR A 66 9.851 7.713 -12.077 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.340 6.164 -10.154 1.00 0.00 H new ATOM 0 HE1 TYR A 66 11.255 6.783 -10.264 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.732 5.264 -8.319 1.00 0.00 H new ATOM 0 HH TYR A 66 9.866 5.443 -7.286 1.00 0.00 H new ATOM 897 N GLY A 67 5.417 10.593 -13.054 1.00 0.00 N ATOM 898 CA GLY A 67 4.645 11.250 -14.086 1.00 0.00 C ATOM 899 C GLY A 67 3.508 10.364 -14.494 1.00 0.00 C ATOM 900 O GLY A 67 3.315 9.273 -13.959 1.00 0.00 O ATOM 0 H GLY A 67 5.072 10.727 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.265 12.204 -13.720 1.00 0.00 H new ATOM 0 HA3 GLY A 67 5.278 11.468 -14.946 1.00 0.00 H new TER 904 GLY A 67 HETATM 905 ZN ZN A 82 -3.286 -2.431 8.741 1.00 0.00 ZN HETATM 906 ZN ZN A 83 3.023 8.236 -1.325 1.00 0.00 ZN CONECT 42 905 CONECT 69 905 CONECT 337 905 CONECT 388 905 CONECT 437 906 CONECT 480 906 CONECT 756 906 CONECT 799 906 CONECT 905 42 69 337 388 CONECT 906 437 480 756 799 END