USER MOD reduce.3.24.130724 H: found=0, std=0, add=317, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 316 hydrogens (0 hets) HEADER VIRAL PROTEIN 01-AUG-03 1Q3Z TITLE NMR STRUCTURE OF THE CYS28HIS MUTANT (E FORM) OF THE TITLE 2 NUCLEOCAPSID PROTEIN NCP7 OF HIV-1. COMPND MOL_ID: 1; COMPND 2 MOLECULE: GAG PROTEIN; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: RESIDUES 390-431; COMPND 5 ENGINEERED: YES; COMPND 6 MUTATION: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: TWO PEPTIDES HAVE BEEN CHEMICALLY SOURCE 4 SYNTHESIZED WITH AND WITHOUT A 15N/13C LABELLED HISTIDINE SOURCE 5 RESIDUE AT POSITION 28 KEYWDS CCHC ZINC KNUCKLE, CCHH ZINC KNUCKLE, VIRAL PROTEIN EXPDTA SOLUTION NMR AUTHOR S.RAMBOARINA,S.DRUILLENNEC,N.MORELLET,S.BOUAZIZ,B.P.ROQUES REVDAT 2 24-FEB-09 1Q3Z 1 VERSN REVDAT 1 07-SEP-04 1Q3Z 0 JRNL AUTH S.RAMBOARINA,S.DRUILLENNEC,N.MORELLET,S.BOUAZIZ, JRNL AUTH 2 B.P.ROQUES JRNL TITL TARGET SPECIFICITY OF HUMAN IMMUNODEFICIENCY VIRUS JRNL TITL 2 TYPE 1 NCP7 REQUIRES AN INTACT CONFORMATION OF ITS JRNL TITL 3 CCHC N-TERMINAL ZINC FINGER. JRNL REF J.VIROL. V. 78 6682 2004 JRNL REFN ISSN 0022-538X JRNL PMID 15163759 JRNL DOI 10.1128/JVI.78.12.6682-6687.2004 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.RAMBOARINA,N.MORELLET,M.C.FOURNIE-ZALUSKI, REMARK 1 AUTH 2 B.P.ROQUES REMARK 1 TITL STRUCTURAL INVESTIGATION ON THE REQUIREMENT OF REMARK 1 TITL 2 CCHH ZINC FINGER TYPE IN NUCLEOCAPSID PROTEIN OF REMARK 1 TITL 3 HUMAN IMMUNODEFICIENCY VIRUS 1. REMARK 1 REF BIOCHEMISTRY V. 38 9600 1999 REMARK 1 REFN ISSN 0006-2960 REMARK 1 DOI 10.1021/BI9905258 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR VERSION 3.851 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE HAS BEEN CALCULATED REMARK 3 USING 339 NOE DERIVED DISTANCE RESTRAINTS. REMARK 4 REMARK 4 1Q3Z COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-SEP-03. REMARK 100 THE RCSB ID CODE IS RCSB019886. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 278; 293 REMARK 210 PH : 6.6; 6.6 REMARK 210 IONIC STRENGTH : 6 MM ZNSO4; 6 MM ZNSO4 REMARK 210 PRESSURE : AMBIENT; AMBIENT REMARK 210 SAMPLE CONTENTS : 2 MM HIS28(12-53)NCP7 90% REMARK 210 H2O, 10% D2O WITH 3 REMARK 210 EQUIVALENTS OF ZINC; 2 MM REMARK 210 HIS28(12-53)NCP7 100% D2O WITH REMARK 210 3 EQUIVALENTS OF ZINC REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D TOCSY, 2D NOESY, 1H-15N REMARK 210 HSQC REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR VERSION 3.0, FELIX REMARK 210 VERSION 98.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING AND MOLECULAR REMARK 210 DYNAMICS REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 100 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH ACCEPTABLE REMARK 210 COVALENT GEOMETRY,STRUCTURES REMARK 210 WITH FAVORABLE NON-BOND REMARK 210 ENERGY,STRUCTURES WITH THE REMARK 210 LEAST RESTRAINT VIOLATIONS, REMARK 210 STRUCTURES WITH THE LOWEST REMARK 210 ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE STRUCTURE WAS DETERMINED USING STANDARD 2D REMARK 210 HOMONUCLEAR EXPERIMENTS AND 1H-15N HSQC EXPERIMENTS. 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 ASN A 12 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 PHE A 16 -55.91 74.34 REMARK 500 ASN A 17 -40.01 -158.45 REMARK 500 THR A 24 99.83 51.54 REMARK 500 ARG A 26 -52.98 -151.11 REMARK 500 LYS A 33 158.80 68.27 REMARK 500 TRP A 37 19.60 54.51 REMARK 500 LYS A 38 -38.74 -172.57 REMARK 500 GLN A 45 -150.59 -108.48 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 26 0.27 SIDE_CHAIN REMARK 500 ARG A 29 0.25 SIDE_CHAIN REMARK 500 ARG A 32 0.27 SIDE_CHAIN REMARK 500 ARG A 52 0.29 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 CYS A 15 SG REMARK 620 2 HIS A 23 ND1 106.3 REMARK 620 3 HIS A 28 NE2 79.4 70.3 REMARK 620 4 CYS A 18 SG 118.8 127.0 91.3 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 HIS A 44 NE2 REMARK 620 2 CYS A 49 SG 114.5 REMARK 620 3 CYS A 39 SG 113.1 111.7 REMARK 620 4 CYS A 36 SG 88.6 107.6 119.6 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: 1ESK RELATED DB: PDB REMARK 900 WILD TYPE SEQUENCE OF THE SAME PROTEIN REMARK 900 RELATED ID: 1Q3Y RELATED DB: PDB REMARK 900 NMR STRUCTURE OF THE CYS28HIS MUTANT (D FORM) OF THE REMARK 900 NUCLEOCAPSID PROTEIN NCP7 OF HIV-1. REMARK 999 REMARK 999 SEQUENCE REMARK 999 THE SEQUENCE HERE CORRESPONDS TO A STRAIN DIFFERENT REMARK 999 THAN THAT FOUND IN THE SEQUENCE DATABASE (GENBANK ACCESSION REMARK 999 CAB98186). DBREF 1Q3Z A 12 53 UNP Q9PY17 Q9PY17_9HIV1 390 431 SEQADV 1Q3Z VAL A 13 UNP Q9PY17 ILE 391 SEE REMARK 999 SEQADV 1Q3Z HIS A 28 UNP Q9PY17 CYS 406 ENGINEERED SEQRES 1 A 42 ASN VAL LYS CYS PHE ASN CYS GLY LYS GLU GLY HIS THR SEQRES 2 A 42 ALA ARG ASN HIS ARG ALA PRO ARG LYS LYS GLY CYS TRP SEQRES 3 A 42 LYS CYS GLY LYS GLU GLY HIS GLN MET LYS ASP CYS THR SEQRES 4 A 42 GLU ARG GLN HET ZN A 1 1 HET ZN A 2 1 HETNAM ZN ZINC ION FORMUL 2 ZN 2(ZN 2+) LINK ZN ZN A 1 SG CYS A 15 1555 1555 2.56 LINK ZN ZN A 1 ND1 HIS A 23 1555 1555 2.24 LINK ZN ZN A 1 NE2 HIS A 28 1555 1555 2.35 LINK ZN ZN A 1 SG CYS A 18 1555 1555 2.54 LINK ZN ZN A 2 NE2 HIS A 44 1555 1555 2.40 LINK ZN ZN A 2 SG CYS A 49 1555 1555 2.61 LINK ZN ZN A 2 SG CYS A 39 1555 1555 2.63 LINK ZN ZN A 2 SG CYS A 36 1555 1555 2.62 SITE *** AC1 5 CYS A 15 CYS A 18 LYS A 20 HIS A 23 SITE *** AC1 5 HIS A 28 SITE *** AC2 5 CYS A 36 CYS A 39 LYS A 41 HIS A 44 SITE *** AC2 5 CYS A 49 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 23 HIS HD1 : A 23 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD NoAdj-H: A 28 HIS HE2 : A 28 HIS NE2 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 53 GLN : amide:sc= -2.13 K(o=-2.1,f=-2.8) USER MOD Set 2.1: A 45 GLN : amide:sc= -0.202 K(o=-0.2,f=-4.2!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ -178:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -107:sc= 0.324 (180deg=-1.2) USER MOD Single : A 17 ASN : amide:sc= -0.0222 X(o=-0.022,f=-0.026) USER MOD Single : A 20 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00233) USER MOD Single : A 24 THR OG1 : rot -13:sc= 2.6 USER MOD Single : A 27 ASN : amide:sc= -0.415 X(o=-0.41,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ -110:sc= -0.429 (180deg=-0.986) USER MOD Single : A 34 LYS NZ :NH3+ 169:sc= -0.0301 (180deg=-0.282) USER MOD Single : A 38 LYS NZ :NH3+ -147:sc= 0.309 (180deg=-0.394) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HD1:sc= -4.8! C(o=-4.8!,f=-3.8!) USER MOD Single : A 46 MET CE :methyl -107:sc= -0.47 (180deg=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 13 -18.716 0.083 -2.061 1.00 0.00 N ATOM 2 CA VAL A 13 -18.314 1.519 -2.087 1.00 0.00 C ATOM 3 C VAL A 13 -17.311 1.807 -0.967 1.00 0.00 C ATOM 4 O VAL A 13 -16.191 2.206 -1.212 1.00 0.00 O ATOM 5 CB VAL A 13 -19.610 2.300 -1.864 1.00 0.00 C ATOM 6 CG1 VAL A 13 -19.280 3.733 -1.439 1.00 0.00 C ATOM 7 CG2 VAL A 13 -20.416 2.329 -3.165 1.00 0.00 C ATOM 0 HA VAL A 13 -17.831 1.795 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 13 -20.194 1.816 -1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.205 4.288 -1.281 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -18.705 3.715 -0.513 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -18.695 4.219 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -21.340 2.885 -3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.829 2.813 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -20.653 1.309 -3.469 1.00 0.00 H new ATOM 16 N LYS A 14 -17.705 1.605 0.260 1.00 0.00 N ATOM 17 CA LYS A 14 -16.773 1.866 1.393 1.00 0.00 C ATOM 18 C LYS A 14 -15.777 0.713 1.528 1.00 0.00 C ATOM 19 O LYS A 14 -16.155 -0.433 1.666 1.00 0.00 O ATOM 20 CB LYS A 14 -17.670 1.951 2.628 1.00 0.00 C ATOM 21 CG LYS A 14 -16.815 2.217 3.868 1.00 0.00 C ATOM 22 CD LYS A 14 -17.643 1.948 5.125 1.00 0.00 C ATOM 23 CE LYS A 14 -17.922 0.448 5.242 1.00 0.00 C ATOM 24 NZ LYS A 14 -18.168 0.213 6.693 1.00 0.00 N ATOM 0 H LYS A 14 -18.631 1.271 0.527 1.00 0.00 H new ATOM 0 HA LYS A 14 -16.189 2.775 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -18.404 2.747 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -18.226 1.022 2.750 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -15.932 1.578 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -16.463 3.248 3.865 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -17.108 2.299 6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -18.581 2.501 5.080 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -18.786 0.160 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -17.076 -0.140 4.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.352 -0.281 7.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -18.303 1.125 7.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -19.021 -0.370 6.811 1.00 0.00 H new ATOM 38 N CYS A 15 -14.506 1.007 1.487 1.00 0.00 N ATOM 39 CA CYS A 15 -13.489 -0.077 1.611 1.00 0.00 C ATOM 40 C CYS A 15 -13.331 -0.495 3.075 1.00 0.00 C ATOM 41 O CYS A 15 -12.484 0.012 3.784 1.00 0.00 O ATOM 42 CB CYS A 15 -12.186 0.525 1.082 1.00 0.00 C ATOM 43 SG CYS A 15 -11.802 2.041 1.988 1.00 0.00 S ATOM 0 H CYS A 15 -14.128 1.948 1.373 1.00 0.00 H new ATOM 0 HA CYS A 15 -13.777 -0.969 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -11.372 -0.192 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -12.280 0.740 0.018 1.00 0.00 H new ATOM 48 N PHE A 16 -14.145 -1.421 3.521 1.00 0.00 N ATOM 49 CA PHE A 16 -14.072 -1.907 4.936 1.00 0.00 C ATOM 50 C PHE A 16 -14.650 -0.874 5.912 1.00 0.00 C ATOM 51 O PHE A 16 -15.543 -1.175 6.678 1.00 0.00 O ATOM 52 CB PHE A 16 -12.587 -2.153 5.220 1.00 0.00 C ATOM 53 CG PHE A 16 -12.448 -3.265 6.229 1.00 0.00 C ATOM 54 CD1 PHE A 16 -12.745 -4.583 5.863 1.00 0.00 C ATOM 55 CD2 PHE A 16 -12.023 -2.979 7.531 1.00 0.00 C ATOM 56 CE1 PHE A 16 -12.617 -5.615 6.799 1.00 0.00 C ATOM 57 CE2 PHE A 16 -11.895 -4.011 8.468 1.00 0.00 C ATOM 58 CZ PHE A 16 -12.192 -5.329 8.102 1.00 0.00 C ATOM 0 H PHE A 16 -14.868 -1.867 2.956 1.00 0.00 H new ATOM 0 HA PHE A 16 -14.661 -2.814 5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -12.068 -2.416 4.298 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -12.122 -1.243 5.599 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -13.073 -4.803 4.858 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.794 -1.962 7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -12.846 -6.632 6.516 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -11.567 -3.790 9.473 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.093 -6.125 8.825 1.00 0.00 H new ATOM 68 N ASN A 17 -14.151 0.334 5.905 1.00 0.00 N ATOM 69 CA ASN A 17 -14.686 1.359 6.853 1.00 0.00 C ATOM 70 C ASN A 17 -14.391 2.786 6.368 1.00 0.00 C ATOM 71 O ASN A 17 -15.214 3.670 6.499 1.00 0.00 O ATOM 72 CB ASN A 17 -13.956 1.089 8.169 1.00 0.00 C ATOM 73 CG ASN A 17 -14.930 0.475 9.177 1.00 0.00 C ATOM 74 OD1 ASN A 17 -15.876 1.114 9.592 1.00 0.00 O ATOM 75 ND2 ASN A 17 -14.737 -0.748 9.590 1.00 0.00 N ATOM 0 H ASN A 17 -13.403 0.655 5.290 1.00 0.00 H new ATOM 0 HA ASN A 17 -15.770 1.288 6.947 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -13.117 0.414 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -13.543 2.017 8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -15.381 -1.167 10.261 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -13.943 -1.285 9.242 1.00 0.00 H new ATOM 82 N CYS A 18 -13.223 3.024 5.831 1.00 0.00 N ATOM 83 CA CYS A 18 -12.875 4.400 5.361 1.00 0.00 C ATOM 84 C CYS A 18 -13.929 4.939 4.385 1.00 0.00 C ATOM 85 O CYS A 18 -14.647 5.869 4.694 1.00 0.00 O ATOM 86 CB CYS A 18 -11.525 4.248 4.666 1.00 0.00 C ATOM 87 SG CYS A 18 -10.993 5.848 4.007 1.00 0.00 S ATOM 0 H CYS A 18 -12.493 2.324 5.697 1.00 0.00 H new ATOM 0 HA CYS A 18 -12.838 5.110 6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -10.784 3.869 5.370 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -11.601 3.519 3.859 1.00 0.00 H new ATOM 92 N GLY A 19 -14.031 4.375 3.210 1.00 0.00 N ATOM 93 CA GLY A 19 -15.042 4.881 2.239 1.00 0.00 C ATOM 94 C GLY A 19 -14.485 4.829 0.813 1.00 0.00 C ATOM 95 O GLY A 19 -15.229 4.732 -0.142 1.00 0.00 O ATOM 0 H GLY A 19 -13.463 3.593 2.884 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -15.950 4.281 2.304 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -15.318 5.905 2.492 1.00 0.00 H new ATOM 99 N LYS A 20 -13.186 4.898 0.654 1.00 0.00 N ATOM 100 CA LYS A 20 -12.603 4.856 -0.720 1.00 0.00 C ATOM 101 C LYS A 20 -13.049 3.580 -1.442 1.00 0.00 C ATOM 102 O LYS A 20 -13.175 2.531 -0.848 1.00 0.00 O ATOM 103 CB LYS A 20 -11.085 4.866 -0.518 1.00 0.00 C ATOM 104 CG LYS A 20 -10.393 4.650 -1.866 1.00 0.00 C ATOM 105 CD LYS A 20 -8.985 5.250 -1.826 1.00 0.00 C ATOM 106 CE LYS A 20 -9.079 6.771 -1.687 1.00 0.00 C ATOM 107 NZ LYS A 20 -8.360 7.085 -0.422 1.00 0.00 N ATOM 0 H LYS A 20 -12.509 4.981 1.412 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.929 5.697 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.771 5.815 -0.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.795 4.083 0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.338 3.585 -2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.974 5.115 -2.662 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.424 4.832 -0.990 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.442 4.991 -2.735 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.620 7.275 -2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.117 7.100 -1.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.410 8.108 -0.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.803 6.570 0.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.364 6.797 -0.508 1.00 0.00 H new ATOM 121 N GLU A 21 -13.301 3.666 -2.719 1.00 0.00 N ATOM 122 CA GLU A 21 -13.752 2.461 -3.475 1.00 0.00 C ATOM 123 C GLU A 21 -12.553 1.624 -3.933 1.00 0.00 C ATOM 124 O GLU A 21 -12.650 0.423 -4.089 1.00 0.00 O ATOM 125 CB GLU A 21 -14.510 3.013 -4.682 1.00 0.00 C ATOM 126 CG GLU A 21 -16.000 2.698 -4.536 1.00 0.00 C ATOM 127 CD GLU A 21 -16.727 3.913 -3.957 1.00 0.00 C ATOM 128 OE1 GLU A 21 -16.175 4.544 -3.070 1.00 0.00 O ATOM 129 OE2 GLU A 21 -17.826 4.191 -4.408 1.00 0.00 O ATOM 0 H GLU A 21 -13.214 4.518 -3.273 1.00 0.00 H new ATOM 0 HA GLU A 21 -14.372 1.806 -2.863 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -14.361 4.090 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -14.123 2.573 -5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -16.423 2.436 -5.506 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.137 1.835 -3.885 1.00 0.00 H new ATOM 136 N GLY A 22 -11.424 2.243 -4.149 1.00 0.00 N ATOM 137 CA GLY A 22 -10.228 1.476 -4.597 1.00 0.00 C ATOM 138 C GLY A 22 -9.261 1.307 -3.425 1.00 0.00 C ATOM 139 O GLY A 22 -8.065 1.466 -3.568 1.00 0.00 O ATOM 0 H GLY A 22 -11.279 3.246 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -10.530 0.500 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.734 1.998 -5.417 1.00 0.00 H new ATOM 143 N HIS A 23 -9.769 0.984 -2.268 1.00 0.00 N ATOM 144 CA HIS A 23 -8.874 0.804 -1.089 1.00 0.00 C ATOM 145 C HIS A 23 -8.987 -0.619 -0.544 1.00 0.00 C ATOM 146 O HIS A 23 -8.715 -0.853 0.611 1.00 0.00 O ATOM 147 CB HIS A 23 -9.385 1.798 -0.050 1.00 0.00 C ATOM 148 CG HIS A 23 -8.263 2.691 0.396 1.00 0.00 C ATOM 149 ND1 HIS A 23 -8.483 3.817 1.196 1.00 0.00 N ATOM 150 CD2 HIS A 23 -6.909 2.661 0.153 1.00 0.00 C ATOM 151 CE1 HIS A 23 -7.295 4.414 1.399 1.00 0.00 C ATOM 152 NE2 HIS A 23 -6.332 3.744 0.784 1.00 0.00 N ATOM 0 H HIS A 23 -10.762 0.837 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 23 -7.827 0.969 -1.345 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -10.192 2.396 -0.472 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.798 1.264 0.805 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -6.387 1.917 -0.431 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -7.147 5.312 1.981 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.341 3.985 0.778 1.00 0.00 H new ATOM 160 N THR A 24 -9.395 -1.559 -1.368 1.00 0.00 N ATOM 161 CA THR A 24 -9.547 -2.979 -0.913 1.00 0.00 C ATOM 162 C THR A 24 -10.400 -3.048 0.363 1.00 0.00 C ATOM 163 O THR A 24 -9.941 -2.803 1.460 1.00 0.00 O ATOM 164 CB THR A 24 -8.119 -3.511 -0.688 1.00 0.00 C ATOM 165 OG1 THR A 24 -7.643 -3.142 0.598 1.00 0.00 O ATOM 166 CG2 THR A 24 -7.188 -2.941 -1.758 1.00 0.00 C ATOM 0 H THR A 24 -9.631 -1.399 -2.347 1.00 0.00 H new ATOM 0 HA THR A 24 -10.066 -3.590 -1.651 1.00 0.00 H new ATOM 0 HB THR A 24 -8.138 -4.599 -0.754 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.237 -2.465 0.985 1.00 0.00 H new ATOM 0 HG21 THR A 24 -6.177 -3.317 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.538 -3.246 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.184 -1.853 -1.695 1.00 0.00 H new ATOM 174 N ALA A 25 -11.655 -3.375 0.222 1.00 0.00 N ATOM 175 CA ALA A 25 -12.548 -3.450 1.416 1.00 0.00 C ATOM 176 C ALA A 25 -12.256 -4.713 2.235 1.00 0.00 C ATOM 177 O ALA A 25 -13.117 -5.542 2.448 1.00 0.00 O ATOM 178 CB ALA A 25 -13.962 -3.489 0.840 1.00 0.00 C ATOM 0 H ALA A 25 -12.102 -3.594 -0.668 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.403 -2.608 2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.685 -3.545 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.142 -2.586 0.256 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.070 -4.364 0.199 1.00 0.00 H new ATOM 184 N ARG A 26 -11.044 -4.850 2.702 1.00 0.00 N ATOM 185 CA ARG A 26 -10.663 -6.038 3.516 1.00 0.00 C ATOM 186 C ARG A 26 -9.544 -5.644 4.483 1.00 0.00 C ATOM 187 O ARG A 26 -9.636 -5.849 5.677 1.00 0.00 O ATOM 188 CB ARG A 26 -10.154 -7.068 2.507 1.00 0.00 C ATOM 189 CG ARG A 26 -11.332 -7.859 1.936 1.00 0.00 C ATOM 190 CD ARG A 26 -11.539 -7.481 0.467 1.00 0.00 C ATOM 191 NE ARG A 26 -10.336 -8.006 -0.238 1.00 0.00 N ATOM 192 CZ ARG A 26 -9.494 -7.179 -0.796 1.00 0.00 C ATOM 193 NH1 ARG A 26 -9.900 -6.368 -1.735 1.00 0.00 N ATOM 194 NH2 ARG A 26 -8.247 -7.163 -0.414 1.00 0.00 N ATOM 0 H ARG A 26 -10.291 -4.178 2.551 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.492 -6.429 4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.616 -6.567 1.702 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.449 -7.745 2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.142 -8.929 2.024 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -12.236 -7.648 2.507 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.453 -7.923 0.071 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.628 -6.401 0.346 1.00 0.00 H new ATOM 0 HE ARG A 26 -10.170 -9.011 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.875 -6.380 -2.033 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -9.242 -5.722 -2.171 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -7.930 -7.796 0.320 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -7.588 -6.517 -0.849 1.00 0.00 H new ATOM 208 N ASN A 27 -8.488 -5.071 3.967 1.00 0.00 N ATOM 209 CA ASN A 27 -7.355 -4.648 4.842 1.00 0.00 C ATOM 210 C ASN A 27 -6.975 -3.184 4.570 1.00 0.00 C ATOM 211 O ASN A 27 -6.017 -2.680 5.122 1.00 0.00 O ATOM 212 CB ASN A 27 -6.193 -5.574 4.472 1.00 0.00 C ATOM 213 CG ASN A 27 -6.665 -6.629 3.468 1.00 0.00 C ATOM 214 OD1 ASN A 27 -6.617 -6.412 2.273 1.00 0.00 O ATOM 215 ND2 ASN A 27 -7.119 -7.771 3.906 1.00 0.00 N ATOM 0 H ASN A 27 -8.361 -4.877 2.974 1.00 0.00 H new ATOM 0 HA ASN A 27 -7.615 -4.716 5.898 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -5.376 -4.993 4.045 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -5.805 -6.060 5.367 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -7.434 -8.482 3.246 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.159 -7.953 4.909 1.00 0.00 H new ATOM 222 N HIS A 28 -7.715 -2.498 3.729 1.00 0.00 N ATOM 223 CA HIS A 28 -7.393 -1.070 3.425 1.00 0.00 C ATOM 224 C HIS A 28 -5.930 -0.925 2.998 1.00 0.00 C ATOM 225 O HIS A 28 -5.140 -0.289 3.667 1.00 0.00 O ATOM 226 CB HIS A 28 -7.645 -0.313 4.728 1.00 0.00 C ATOM 227 CG HIS A 28 -8.187 1.053 4.414 1.00 0.00 C ATOM 228 ND1 HIS A 28 -7.868 2.167 5.173 1.00 0.00 N ATOM 229 CD2 HIS A 28 -9.019 1.501 3.421 1.00 0.00 C ATOM 230 CE1 HIS A 28 -8.499 3.222 4.628 1.00 0.00 C ATOM 231 NE2 HIS A 28 -9.215 2.872 3.557 1.00 0.00 N ATOM 0 H HIS A 28 -8.530 -2.869 3.240 1.00 0.00 H new ATOM 0 HA HIS A 28 -8.000 -0.685 2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.351 -0.863 5.350 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.719 -0.227 5.297 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -7.265 2.184 5.995 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.456 0.884 2.650 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -8.434 4.230 5.010 1.00 0.00 H new ATOM 239 N ARG A 29 -5.560 -1.509 1.893 1.00 0.00 N ATOM 240 CA ARG A 29 -4.146 -1.402 1.439 1.00 0.00 C ATOM 241 C ARG A 29 -4.078 -1.273 -0.086 1.00 0.00 C ATOM 242 O ARG A 29 -5.047 -0.923 -0.730 1.00 0.00 O ATOM 243 CB ARG A 29 -3.490 -2.700 1.907 1.00 0.00 C ATOM 244 CG ARG A 29 -2.562 -2.401 3.085 1.00 0.00 C ATOM 245 CD ARG A 29 -1.118 -2.301 2.587 1.00 0.00 C ATOM 246 NE ARG A 29 -0.962 -0.890 2.135 1.00 0.00 N ATOM 247 CZ ARG A 29 0.146 -0.507 1.559 1.00 0.00 C ATOM 248 NH1 ARG A 29 0.613 -1.168 0.535 1.00 0.00 N ATOM 249 NH2 ARG A 29 0.786 0.539 2.007 1.00 0.00 N ATOM 0 H ARG A 29 -6.173 -2.054 1.287 1.00 0.00 H new ATOM 0 HA ARG A 29 -3.646 -0.522 1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.253 -3.420 2.204 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.926 -3.151 1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.857 -1.468 3.566 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.645 -3.187 3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.410 -2.542 3.380 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.933 -2.999 1.771 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.721 -0.223 2.275 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.113 -1.984 0.184 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.478 -0.868 0.086 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.421 1.057 2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.651 0.839 1.558 1.00 0.00 H new ATOM 263 N ALA A 30 -2.934 -1.548 -0.660 1.00 0.00 N ATOM 264 CA ALA A 30 -2.778 -1.441 -2.143 1.00 0.00 C ATOM 265 C ALA A 30 -3.130 -0.028 -2.626 1.00 0.00 C ATOM 266 O ALA A 30 -3.992 0.141 -3.465 1.00 0.00 O ATOM 267 CB ALA A 30 -3.751 -2.468 -2.722 1.00 0.00 C ATOM 0 H ALA A 30 -2.095 -1.844 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.752 -1.629 -2.459 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.695 -2.449 -3.810 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.487 -3.462 -2.362 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.766 -2.225 -2.407 1.00 0.00 H new ATOM 273 N PRO A 31 -2.444 0.943 -2.080 1.00 0.00 N ATOM 274 CA PRO A 31 -2.689 2.353 -2.466 1.00 0.00 C ATOM 275 C PRO A 31 -2.070 2.650 -3.837 1.00 0.00 C ATOM 276 O PRO A 31 -2.681 3.276 -4.679 1.00 0.00 O ATOM 277 CB PRO A 31 -1.991 3.151 -1.370 1.00 0.00 C ATOM 278 CG PRO A 31 -0.932 2.241 -0.831 1.00 0.00 C ATOM 279 CD PRO A 31 -1.393 0.823 -1.063 1.00 0.00 C ATOM 0 HA PRO A 31 -3.748 2.595 -2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.556 4.068 -1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.693 3.443 -0.589 1.00 0.00 H new ATOM 0 HG2 PRO A 31 0.020 2.422 -1.331 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.774 2.424 0.232 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -0.575 0.191 -1.409 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.776 0.375 -0.146 1.00 0.00 H new ATOM 287 N ARG A 32 -0.862 2.208 -4.067 1.00 0.00 N ATOM 288 CA ARG A 32 -0.210 2.470 -5.381 1.00 0.00 C ATOM 289 C ARG A 32 0.956 1.501 -5.596 1.00 0.00 C ATOM 290 O ARG A 32 1.876 1.443 -4.804 1.00 0.00 O ATOM 291 CB ARG A 32 0.300 3.908 -5.290 1.00 0.00 C ATOM 292 CG ARG A 32 -0.295 4.734 -6.432 1.00 0.00 C ATOM 293 CD ARG A 32 0.693 4.778 -7.599 1.00 0.00 C ATOM 294 NE ARG A 32 -0.062 4.240 -8.764 1.00 0.00 N ATOM 295 CZ ARG A 32 -0.018 2.965 -9.038 1.00 0.00 C ATOM 296 NH1 ARG A 32 1.122 2.396 -9.319 1.00 0.00 N ATOM 297 NH2 ARG A 32 -1.116 2.258 -9.030 1.00 0.00 N ATOM 0 H ARG A 32 -0.300 1.677 -3.402 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.896 2.332 -6.217 1.00 0.00 H new ATOM 0 HB2 ARG A 32 0.023 4.343 -4.330 1.00 0.00 H new ATOM 0 HB3 ARG A 32 1.389 3.923 -5.345 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.239 4.297 -6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.513 5.745 -6.088 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.037 5.795 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 32 1.578 4.176 -7.390 1.00 0.00 H new ATOM 0 HE ARG A 32 -0.614 4.868 -9.348 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.980 2.948 -9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.155 1.399 -9.533 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.007 2.703 -8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.082 1.261 -9.244 1.00 0.00 H new ATOM 311 N LYS A 33 0.914 0.745 -6.666 1.00 0.00 N ATOM 312 CA LYS A 33 2.008 -0.233 -6.963 1.00 0.00 C ATOM 313 C LYS A 33 2.008 -1.376 -5.942 1.00 0.00 C ATOM 314 O LYS A 33 1.482 -1.257 -4.853 1.00 0.00 O ATOM 315 CB LYS A 33 3.310 0.569 -6.882 1.00 0.00 C ATOM 316 CG LYS A 33 4.254 0.127 -8.002 1.00 0.00 C ATOM 317 CD LYS A 33 5.491 -0.538 -7.396 1.00 0.00 C ATOM 318 CE LYS A 33 6.734 0.289 -7.733 1.00 0.00 C ATOM 319 NZ LYS A 33 7.841 -0.357 -6.974 1.00 0.00 N ATOM 0 H LYS A 33 0.161 0.764 -7.353 1.00 0.00 H new ATOM 0 HA LYS A 33 1.880 -0.693 -7.943 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.099 1.635 -6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 33 3.783 0.417 -5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.744 -0.569 -8.668 1.00 0.00 H new ATOM 0 HG3 LYS A 33 4.549 0.987 -8.604 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.379 -0.621 -6.315 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.599 -1.551 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.934 0.283 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.608 1.331 -7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 8.143 0.269 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.510 -1.261 -6.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.644 -0.531 -7.612 1.00 0.00 H new ATOM 333 N LYS A 34 2.592 -2.490 -6.292 1.00 0.00 N ATOM 334 CA LYS A 34 2.626 -3.647 -5.351 1.00 0.00 C ATOM 335 C LYS A 34 3.946 -3.670 -4.574 1.00 0.00 C ATOM 336 O LYS A 34 4.003 -4.120 -3.446 1.00 0.00 O ATOM 337 CB LYS A 34 2.510 -4.885 -6.241 1.00 0.00 C ATOM 338 CG LYS A 34 1.274 -5.692 -5.837 1.00 0.00 C ATOM 339 CD LYS A 34 1.473 -6.268 -4.434 1.00 0.00 C ATOM 340 CE LYS A 34 1.738 -7.772 -4.531 1.00 0.00 C ATOM 341 NZ LYS A 34 3.208 -7.894 -4.734 1.00 0.00 N ATOM 0 H LYS A 34 3.048 -2.649 -7.190 1.00 0.00 H new ATOM 0 HA LYS A 34 1.827 -3.596 -4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 34 2.437 -4.588 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.405 -5.499 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.389 -5.056 -5.858 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.104 -6.498 -6.551 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.309 -5.772 -3.941 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.588 -6.083 -3.825 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.421 -8.288 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 34 1.187 -8.217 -5.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.492 -8.888 -4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.455 -7.567 -5.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 3.705 -7.312 -4.030 1.00 0.00 H new ATOM 355 N GLY A 35 5.009 -3.193 -5.166 1.00 0.00 N ATOM 356 CA GLY A 35 6.320 -3.194 -4.457 1.00 0.00 C ATOM 357 C GLY A 35 6.366 -2.051 -3.445 1.00 0.00 C ATOM 358 O GLY A 35 5.419 -1.804 -2.725 1.00 0.00 O ATOM 0 H GLY A 35 5.025 -2.803 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.468 -4.147 -3.949 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.132 -3.087 -5.176 1.00 0.00 H new ATOM 362 N CYS A 36 7.467 -1.362 -3.374 1.00 0.00 N ATOM 363 CA CYS A 36 7.581 -0.243 -2.393 1.00 0.00 C ATOM 364 C CYS A 36 7.338 1.115 -3.054 1.00 0.00 C ATOM 365 O CYS A 36 7.700 2.141 -2.517 1.00 0.00 O ATOM 366 CB CYS A 36 9.010 -0.330 -1.865 1.00 0.00 C ATOM 367 SG CYS A 36 9.312 -1.997 -1.238 1.00 0.00 S ATOM 0 H CYS A 36 8.293 -1.522 -3.950 1.00 0.00 H new ATOM 0 HA CYS A 36 6.835 -0.329 -1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 36 9.719 -0.093 -2.659 1.00 0.00 H new ATOM 0 HB3 CYS A 36 9.163 0.403 -1.072 1.00 0.00 H new ATOM 372 N TRP A 37 6.721 1.130 -4.201 1.00 0.00 N ATOM 373 CA TRP A 37 6.441 2.426 -4.895 1.00 0.00 C ATOM 374 C TRP A 37 7.727 3.253 -5.086 1.00 0.00 C ATOM 375 O TRP A 37 7.673 4.447 -5.305 1.00 0.00 O ATOM 376 CB TRP A 37 5.463 3.155 -3.971 1.00 0.00 C ATOM 377 CG TRP A 37 4.856 4.312 -4.694 1.00 0.00 C ATOM 378 CD1 TRP A 37 4.021 4.215 -5.753 1.00 0.00 C ATOM 379 CD2 TRP A 37 5.021 5.735 -4.431 1.00 0.00 C ATOM 380 NE1 TRP A 37 3.664 5.489 -6.158 1.00 0.00 N ATOM 381 CE2 TRP A 37 4.255 6.459 -5.373 1.00 0.00 C ATOM 382 CE3 TRP A 37 5.755 6.460 -3.475 1.00 0.00 C ATOM 383 CZ2 TRP A 37 4.217 7.854 -5.368 1.00 0.00 C ATOM 384 CZ3 TRP A 37 5.719 7.863 -3.466 1.00 0.00 C ATOM 385 CH2 TRP A 37 4.952 8.559 -4.411 1.00 0.00 C ATOM 0 H TRP A 37 6.395 0.298 -4.694 1.00 0.00 H new ATOM 0 HA TRP A 37 6.036 2.270 -5.895 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.682 2.471 -3.639 1.00 0.00 H new ATOM 0 HB3 TRP A 37 5.982 3.503 -3.078 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.687 3.294 -6.208 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.041 5.687 -6.941 1.00 0.00 H new ATOM 0 HE3 TRP A 37 6.350 5.934 -2.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.624 8.385 -6.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 6.286 8.410 -2.727 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.929 9.639 -4.399 1.00 0.00 H new ATOM 396 N LYS A 38 8.880 2.635 -5.017 1.00 0.00 N ATOM 397 CA LYS A 38 10.151 3.401 -5.203 1.00 0.00 C ATOM 398 C LYS A 38 11.353 2.448 -5.264 1.00 0.00 C ATOM 399 O LYS A 38 12.273 2.650 -6.031 1.00 0.00 O ATOM 400 CB LYS A 38 10.253 4.334 -3.988 1.00 0.00 C ATOM 401 CG LYS A 38 10.539 3.525 -2.720 1.00 0.00 C ATOM 402 CD LYS A 38 10.489 4.449 -1.502 1.00 0.00 C ATOM 403 CE LYS A 38 9.258 4.115 -0.655 1.00 0.00 C ATOM 404 NZ LYS A 38 8.122 4.796 -1.336 1.00 0.00 N ATOM 0 H LYS A 38 8.996 1.637 -4.841 1.00 0.00 H new ATOM 0 HA LYS A 38 10.151 3.962 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.046 5.065 -4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.324 4.892 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 38 9.806 2.725 -2.613 1.00 0.00 H new ATOM 0 HG3 LYS A 38 11.519 3.052 -2.791 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.395 4.333 -0.907 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.450 5.490 -1.824 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.097 3.038 -0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.375 4.472 0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.427 5.104 -0.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.475 5.624 -1.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.670 4.136 -2.000 1.00 0.00 H new ATOM 418 N CYS A 39 11.356 1.414 -4.466 1.00 0.00 N ATOM 419 CA CYS A 39 12.500 0.457 -4.486 1.00 0.00 C ATOM 420 C CYS A 39 12.159 -0.752 -5.362 1.00 0.00 C ATOM 421 O CYS A 39 13.017 -1.328 -6.002 1.00 0.00 O ATOM 422 CB CYS A 39 12.686 0.038 -3.027 1.00 0.00 C ATOM 423 SG CYS A 39 13.495 -1.581 -2.951 1.00 0.00 S ATOM 0 H CYS A 39 10.616 1.191 -3.801 1.00 0.00 H new ATOM 0 HA CYS A 39 13.407 0.898 -4.899 1.00 0.00 H new ATOM 0 HB2 CYS A 39 13.286 0.780 -2.500 1.00 0.00 H new ATOM 0 HB3 CYS A 39 11.719 -0.005 -2.525 1.00 0.00 H new ATOM 428 N GLY A 40 10.912 -1.140 -5.399 1.00 0.00 N ATOM 429 CA GLY A 40 10.520 -2.309 -6.236 1.00 0.00 C ATOM 430 C GLY A 40 10.661 -3.599 -5.425 1.00 0.00 C ATOM 431 O GLY A 40 10.854 -4.665 -5.974 1.00 0.00 O ATOM 0 H GLY A 40 10.149 -0.698 -4.886 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.491 -2.194 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.148 -2.358 -7.126 1.00 0.00 H new ATOM 435 N LYS A 41 10.563 -3.516 -4.125 1.00 0.00 N ATOM 436 CA LYS A 41 10.688 -4.746 -3.294 1.00 0.00 C ATOM 437 C LYS A 41 9.308 -5.209 -2.836 1.00 0.00 C ATOM 438 O LYS A 41 8.386 -4.428 -2.719 1.00 0.00 O ATOM 439 CB LYS A 41 11.536 -4.339 -2.092 1.00 0.00 C ATOM 440 CG LYS A 41 12.781 -5.225 -2.019 1.00 0.00 C ATOM 441 CD LYS A 41 12.489 -6.444 -1.141 1.00 0.00 C ATOM 442 CE LYS A 41 12.460 -7.704 -2.010 1.00 0.00 C ATOM 443 NZ LYS A 41 13.839 -8.261 -1.925 1.00 0.00 N ATOM 0 H LYS A 41 10.402 -2.653 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 41 11.140 -5.570 -3.847 1.00 0.00 H new ATOM 0 HB2 LYS A 41 11.827 -3.292 -2.177 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.955 -4.435 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 41 13.072 -5.545 -3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 41 13.619 -4.661 -1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.252 -6.540 -0.368 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.533 -6.318 -0.632 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.722 -8.419 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.192 -7.467 -3.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.899 -9.128 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.519 -7.561 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 14.063 -8.483 -0.934 1.00 0.00 H new ATOM 457 N GLU A 42 9.161 -6.472 -2.573 1.00 0.00 N ATOM 458 CA GLU A 42 7.840 -6.989 -2.119 1.00 0.00 C ATOM 459 C GLU A 42 7.860 -7.238 -0.608 1.00 0.00 C ATOM 460 O GLU A 42 6.839 -7.184 0.049 1.00 0.00 O ATOM 461 CB GLU A 42 7.646 -8.304 -2.874 1.00 0.00 C ATOM 462 CG GLU A 42 8.046 -8.117 -4.338 1.00 0.00 C ATOM 463 CD GLU A 42 6.879 -8.517 -5.241 1.00 0.00 C ATOM 464 OE1 GLU A 42 6.707 -9.704 -5.464 1.00 0.00 O ATOM 465 OE2 GLU A 42 6.175 -7.628 -5.694 1.00 0.00 O ATOM 0 H GLU A 42 9.898 -7.173 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 42 7.033 -6.283 -2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.250 -9.089 -2.419 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.606 -8.623 -2.808 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.322 -7.078 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.922 -8.724 -4.567 1.00 0.00 H new ATOM 472 N GLY A 43 9.016 -7.512 -0.055 1.00 0.00 N ATOM 473 CA GLY A 43 9.112 -7.765 1.414 1.00 0.00 C ATOM 474 C GLY A 43 8.442 -6.621 2.178 1.00 0.00 C ATOM 475 O GLY A 43 7.711 -6.840 3.123 1.00 0.00 O ATOM 0 H GLY A 43 9.900 -7.571 -0.561 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.632 -8.712 1.662 1.00 0.00 H new ATOM 0 HA3 GLY A 43 10.157 -7.851 1.711 1.00 0.00 H new ATOM 479 N HIS A 44 8.667 -5.405 1.762 1.00 0.00 N ATOM 480 CA HIS A 44 8.023 -4.251 2.452 1.00 0.00 C ATOM 481 C HIS A 44 7.246 -3.420 1.428 1.00 0.00 C ATOM 482 O HIS A 44 7.261 -3.710 0.249 1.00 0.00 O ATOM 483 CB HIS A 44 9.160 -3.435 3.084 1.00 0.00 C ATOM 484 CG HIS A 44 10.377 -3.436 2.197 1.00 0.00 C ATOM 485 ND1 HIS A 44 11.294 -4.475 2.196 1.00 0.00 N ATOM 486 CD2 HIS A 44 10.850 -2.520 1.293 1.00 0.00 C ATOM 487 CE1 HIS A 44 12.263 -4.161 1.316 1.00 0.00 C ATOM 488 NE2 HIS A 44 12.041 -2.978 0.737 1.00 0.00 N ATOM 0 H HIS A 44 9.268 -5.160 0.975 1.00 0.00 H new ATOM 0 HA HIS A 44 7.316 -4.570 3.218 1.00 0.00 H new ATOM 0 HB2 HIS A 44 8.828 -2.410 3.252 1.00 0.00 H new ATOM 0 HB3 HIS A 44 9.415 -3.852 4.058 1.00 0.00 H new ATOM 0 HD2 HIS A 44 10.370 -1.584 1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.116 -4.789 1.104 1.00 0.00 H new ATOM 0 HE2 HIS A 44 12.619 -2.511 0.038 1.00 0.00 H new ATOM 496 N GLN A 45 6.556 -2.402 1.863 1.00 0.00 N ATOM 497 CA GLN A 45 5.773 -1.579 0.897 1.00 0.00 C ATOM 498 C GLN A 45 6.416 -0.215 0.701 1.00 0.00 C ATOM 499 O GLN A 45 7.613 -0.048 0.817 1.00 0.00 O ATOM 500 CB GLN A 45 4.392 -1.409 1.527 1.00 0.00 C ATOM 501 CG GLN A 45 4.027 -2.673 2.281 1.00 0.00 C ATOM 502 CD GLN A 45 2.585 -2.581 2.779 1.00 0.00 C ATOM 503 OE1 GLN A 45 1.738 -3.348 2.366 1.00 0.00 O ATOM 504 NE2 GLN A 45 2.269 -1.671 3.657 1.00 0.00 N ATOM 0 H GLN A 45 6.500 -2.106 2.837 1.00 0.00 H new ATOM 0 HA GLN A 45 5.727 -2.058 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 45 4.391 -0.555 2.204 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.650 -1.205 0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.142 -3.541 1.632 1.00 0.00 H new ATOM 0 HG3 GLN A 45 4.704 -2.813 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 45 2.981 -1.027 4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 45 1.310 -1.602 3.998 1.00 0.00 H new ATOM 513 N MET A 46 5.612 0.759 0.405 1.00 0.00 N ATOM 514 CA MET A 46 6.144 2.134 0.193 1.00 0.00 C ATOM 515 C MET A 46 6.321 2.845 1.537 1.00 0.00 C ATOM 516 O MET A 46 7.168 3.703 1.688 1.00 0.00 O ATOM 517 CB MET A 46 5.097 2.840 -0.674 1.00 0.00 C ATOM 518 CG MET A 46 3.909 3.273 0.189 1.00 0.00 C ATOM 519 SD MET A 46 2.474 3.578 -0.871 1.00 0.00 S ATOM 520 CE MET A 46 3.046 5.139 -1.587 1.00 0.00 C ATOM 0 H MET A 46 4.602 0.665 0.299 1.00 0.00 H new ATOM 0 HA MET A 46 7.122 2.132 -0.288 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.541 3.709 -1.159 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.758 2.172 -1.466 1.00 0.00 H new ATOM 0 HG2 MET A 46 3.676 2.500 0.921 1.00 0.00 H new ATOM 0 HG3 MET A 46 4.161 4.175 0.747 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.475 5.965 -1.163 1.00 0.00 H new ATOM 0 HE2 MET A 46 4.104 5.276 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.905 5.117 -2.668 1.00 0.00 H new ATOM 530 N LYS A 47 5.540 2.486 2.520 1.00 0.00 N ATOM 531 CA LYS A 47 5.681 3.135 3.854 1.00 0.00 C ATOM 532 C LYS A 47 6.762 2.419 4.675 1.00 0.00 C ATOM 533 O LYS A 47 7.259 2.944 5.651 1.00 0.00 O ATOM 534 CB LYS A 47 4.308 3.001 4.519 1.00 0.00 C ATOM 535 CG LYS A 47 3.915 1.526 4.614 1.00 0.00 C ATOM 536 CD LYS A 47 3.136 1.287 5.908 1.00 0.00 C ATOM 537 CE LYS A 47 1.663 1.033 5.577 1.00 0.00 C ATOM 538 NZ LYS A 47 1.298 -0.183 6.356 1.00 0.00 N ATOM 0 H LYS A 47 4.813 1.774 2.457 1.00 0.00 H new ATOM 0 HA LYS A 47 5.984 4.179 3.776 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.332 3.444 5.514 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.561 3.549 3.944 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.307 1.245 3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.807 0.899 4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.552 0.433 6.443 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.228 2.151 6.566 1.00 0.00 H new ATOM 0 HE2 LYS A 47 1.043 1.884 5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.520 0.875 4.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.311 -0.441 6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.923 -0.969 6.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.405 0.011 7.372 1.00 0.00 H new ATOM 552 N ASP A 48 7.138 1.228 4.281 1.00 0.00 N ATOM 553 CA ASP A 48 8.193 0.489 5.033 1.00 0.00 C ATOM 554 C ASP A 48 9.462 0.387 4.181 1.00 0.00 C ATOM 555 O ASP A 48 10.165 -0.603 4.218 1.00 0.00 O ATOM 556 CB ASP A 48 7.608 -0.902 5.281 1.00 0.00 C ATOM 557 CG ASP A 48 6.180 -0.772 5.810 1.00 0.00 C ATOM 558 OD1 ASP A 48 5.997 -0.090 6.804 1.00 0.00 O ATOM 559 OD2 ASP A 48 5.293 -1.359 5.211 1.00 0.00 O ATOM 0 H ASP A 48 6.759 0.737 3.471 1.00 0.00 H new ATOM 0 HA ASP A 48 8.464 0.987 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 48 7.613 -1.479 4.357 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.224 -1.444 5.998 1.00 0.00 H new ATOM 564 N CYS A 49 9.757 1.399 3.410 1.00 0.00 N ATOM 565 CA CYS A 49 10.975 1.352 2.553 1.00 0.00 C ATOM 566 C CYS A 49 11.734 2.677 2.630 1.00 0.00 C ATOM 567 O CYS A 49 11.183 3.734 2.394 1.00 0.00 O ATOM 568 CB CYS A 49 10.450 1.123 1.137 1.00 0.00 C ATOM 569 SG CYS A 49 11.832 1.160 -0.030 1.00 0.00 S ATOM 0 H CYS A 49 9.207 2.255 3.337 1.00 0.00 H new ATOM 0 HA CYS A 49 11.668 0.572 2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 49 9.936 0.164 1.079 1.00 0.00 H new ATOM 0 HB3 CYS A 49 9.721 1.891 0.879 1.00 0.00 H new ATOM 574 N THR A 50 12.997 2.628 2.951 1.00 0.00 N ATOM 575 CA THR A 50 13.793 3.885 3.035 1.00 0.00 C ATOM 576 C THR A 50 14.418 4.197 1.673 1.00 0.00 C ATOM 577 O THR A 50 14.123 5.207 1.065 1.00 0.00 O ATOM 578 CB THR A 50 14.878 3.599 4.076 1.00 0.00 C ATOM 579 OG1 THR A 50 14.280 3.470 5.358 1.00 0.00 O ATOM 580 CG2 THR A 50 15.887 4.748 4.094 1.00 0.00 C ATOM 0 H THR A 50 13.512 1.773 3.159 1.00 0.00 H new ATOM 0 HA THR A 50 13.185 4.746 3.312 1.00 0.00 H new ATOM 0 HB THR A 50 15.392 2.672 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 50 14.973 3.285 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 50 16.659 4.543 4.836 1.00 0.00 H new ATOM 0 HG22 THR A 50 16.346 4.845 3.110 1.00 0.00 H new ATOM 0 HG23 THR A 50 15.376 5.677 4.349 1.00 0.00 H new ATOM 588 N GLU A 51 15.274 3.333 1.193 1.00 0.00 N ATOM 589 CA GLU A 51 15.924 3.566 -0.131 1.00 0.00 C ATOM 590 C GLU A 51 16.592 4.943 -0.164 1.00 0.00 C ATOM 591 O GLU A 51 16.336 5.747 -1.039 1.00 0.00 O ATOM 592 CB GLU A 51 14.789 3.488 -1.153 1.00 0.00 C ATOM 593 CG GLU A 51 15.229 2.620 -2.332 1.00 0.00 C ATOM 594 CD GLU A 51 14.605 3.150 -3.624 1.00 0.00 C ATOM 595 OE1 GLU A 51 13.648 3.900 -3.534 1.00 0.00 O ATOM 596 OE2 GLU A 51 15.096 2.796 -4.683 1.00 0.00 O ATOM 0 H GLU A 51 15.552 2.472 1.663 1.00 0.00 H new ATOM 0 HA GLU A 51 16.706 2.835 -0.339 1.00 0.00 H new ATOM 0 HB2 GLU A 51 13.896 3.068 -0.690 1.00 0.00 H new ATOM 0 HB3 GLU A 51 14.528 4.488 -1.500 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.316 2.624 -2.413 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.926 1.586 -2.168 1.00 0.00 H new ATOM 603 N ARG A 52 17.447 5.214 0.788 1.00 0.00 N ATOM 604 CA ARG A 52 18.144 6.535 0.834 1.00 0.00 C ATOM 605 C ARG A 52 17.129 7.681 0.786 1.00 0.00 C ATOM 606 O ARG A 52 17.209 8.557 -0.052 1.00 0.00 O ATOM 607 CB ARG A 52 19.045 6.559 -0.403 1.00 0.00 C ATOM 608 CG ARG A 52 19.871 5.273 -0.462 1.00 0.00 C ATOM 609 CD ARG A 52 20.892 5.373 -1.598 1.00 0.00 C ATOM 610 NE ARG A 52 20.300 4.591 -2.718 1.00 0.00 N ATOM 611 CZ ARG A 52 19.165 4.962 -3.245 1.00 0.00 C ATOM 612 NH1 ARG A 52 19.083 6.095 -3.888 1.00 0.00 N ATOM 613 NH2 ARG A 52 18.112 4.201 -3.127 1.00 0.00 N ATOM 0 H ARG A 52 17.694 4.572 1.541 1.00 0.00 H new ATOM 0 HA ARG A 52 18.715 6.662 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 52 18.440 6.656 -1.304 1.00 0.00 H new ATOM 0 HB3 ARG A 52 19.705 7.426 -0.368 1.00 0.00 H new ATOM 0 HG2 ARG A 52 20.382 5.113 0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 52 19.217 4.415 -0.621 1.00 0.00 H new ATOM 0 HD2 ARG A 52 21.061 6.410 -1.887 1.00 0.00 H new ATOM 0 HD3 ARG A 52 21.857 4.965 -1.298 1.00 0.00 H new ATOM 0 HE ARG A 52 20.781 3.765 -3.074 1.00 0.00 H new ATOM 0 HH11 ARG A 52 19.906 6.691 -3.979 1.00 0.00 H new ATOM 0 HH12 ARG A 52 18.196 6.385 -4.300 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.176 3.316 -2.623 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.225 4.491 -3.539 1.00 0.00 H new ATOM 627 N GLN A 53 16.176 7.682 1.678 1.00 0.00 N ATOM 628 CA GLN A 53 15.159 8.773 1.680 1.00 0.00 C ATOM 629 C GLN A 53 15.697 9.997 2.427 1.00 0.00 C ATOM 630 O GLN A 53 15.023 11.014 2.418 1.00 0.00 O ATOM 631 CB GLN A 53 13.948 8.189 2.409 1.00 0.00 C ATOM 632 CG GLN A 53 14.216 8.164 3.915 1.00 0.00 C ATOM 633 CD GLN A 53 13.299 7.135 4.579 1.00 0.00 C ATOM 634 OE1 GLN A 53 12.242 6.826 4.066 1.00 0.00 O ATOM 635 NE2 GLN A 53 13.662 6.588 5.706 1.00 0.00 N ATOM 636 OXT GLN A 53 16.773 9.897 2.993 1.00 0.00 O ATOM 0 H GLN A 53 16.057 6.976 2.404 1.00 0.00 H new ATOM 0 HA GLN A 53 14.906 9.102 0.672 1.00 0.00 H new ATOM 0 HB2 GLN A 53 13.061 8.786 2.197 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.746 7.180 2.049 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.260 7.913 4.105 1.00 0.00 H new ATOM 0 HG3 GLN A 53 14.042 9.151 4.343 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.550 6.848 6.136 1.00 0.00 H new ATOM 0 HE22 GLN A 53 13.058 5.901 6.157 1.00 0.00 H new TER 645 GLN A 53 HETATM 646 ZN ZN A 1 -10.485 4.230 2.120 1.00 0.00 ZN HETATM 647 ZN ZN A 2 11.813 -1.281 -0.947 1.00 0.00 ZN CONECT 43 646 CONECT 87 646 CONECT 149 646 CONECT 231 646 CONECT 367 647 CONECT 423 647 CONECT 488 647 CONECT 569 647 CONECT 646 43 87 149 231 CONECT 647 367 423 488 569 END