USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 891 hydrogens (44 hets) HEADER ELECTRON TRANSPORT 03-JUL-96 1OCD TITLE CYTOCHROME C (OXIDIZED) FROM EQUUS CABALLUS, NMR, MINIMIZED TITLE 2 AVERAGE STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: CYTOCHROME C; COMPND 3 CHAIN: A; COMPND 4 OTHER_DETAILS: OXIDIZED SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; SOURCE 3 ORGANISM_COMMON: HORSE; SOURCE 4 ORGANISM_TAXID: 9796; SOURCE 5 ORGAN: HEART KEYWDS ELECTRON TRANSPORT EXPDTA SOLUTION NMR AUTHOR P.X.QI,R.A.BECKMAN,A.J.WAND REVDAT 2 24-FEB-09 1OCD 1 VERSN REVDAT 1 16-JUN-97 1OCD 0 JRNL AUTH P.X.QI,R.A.BECKMAN,A.J.WAND JRNL TITL SOLUTION STRUCTURE OF HORSE HEART FERRICYTOCHROME JRNL TITL 2 C AND DETECTION OF REDOX-RELATED STRUCTURAL JRNL TITL 3 CHANGES BY HIGH-RESOLUTION 1H NMR. JRNL REF BIOCHEMISTRY V. 35 12275 1996 JRNL REFN ISSN 0006-2960 JRNL PMID 8823161 JRNL DOI 10.1021/BI961042W REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH P.X.QI,J.L.URBAUER,E.J.FUENTES,M.F.LEOPOLD,A.J.WAND REMARK 1 TITL STRUCTURAL WATER IN OXIDIZED AND REDUCED HORSE REMARK 1 TITL 2 HEART CYTOCHROME C REMARK 1 REF NAT.STRUCT.BIOL. V. 1 378 1994 REMARK 1 REFN ISSN 1072-8368 REMARK 1 REFERENCE 2 REMARK 1 AUTH P.X.QI,D.L.DI STEFANO,A.J.WAND REMARK 1 TITL SOLUTION STRUCTURE OF HORSE HEART FERROCYTOCHROME REMARK 1 TITL 2 C DETERMINED BY HIGH-RESOLUTION NMR AND RESTRAINED REMARK 1 TITL 3 SIMULATED ANNEALING REMARK 1 REF BIOCHEMISTRY V. 33 6408 1994 REMARK 1 REFN ISSN 0006-2960 REMARK 1 REFERENCE 3 REMARK 1 AUTH Y.FENG,H.RODER,S.W.ENGLANDER,A.J.WAND, REMARK 1 AUTH 2 D.L.DI STEFANO REMARK 1 TITL PROTON RESONANCE ASSIGNMENTS OF HORSE REMARK 1 TITL 2 FERRICYTOCHROME C REMARK 1 REF BIOCHEMISTRY V. 28 195 1989 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 1OCD 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) : 293 REMARK 210 PH : 5.7 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : COSY, TOCSY, NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 14 MHZ, 11.3 MHZ, 7.0 MHZ REMARK 210 SPECTROMETER MODEL : BRUKER AM & AMX SERIES REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : DSPACE, X-PLOR REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 64 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST PENALTY 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 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 VAL A 3 -68.05 -107.75 REMARK 500 CYS A 14 40.96 -101.92 REMARK 500 VAL A 20 -55.26 -136.19 REMARK 500 LYS A 27 -142.21 -58.62 REMARK 500 LEU A 35 175.81 -47.72 REMARK 500 PHE A 36 72.10 -2.41 REMARK 500 ARG A 38 -42.63 81.49 REMARK 500 THR A 40 -61.99 -100.04 REMARK 500 GLN A 42 -101.01 -55.51 REMARK 500 PRO A 44 -17.87 -48.01 REMARK 500 PHE A 46 -109.32 -64.29 REMARK 500 THR A 47 18.67 -150.47 REMARK 500 TYR A 48 157.94 -44.23 REMARK 500 THR A 49 -155.31 -78.57 REMARK 500 ASP A 50 54.70 -90.04 REMARK 500 ALA A 51 -57.25 -167.32 REMARK 500 LYS A 55 -152.48 -54.87 REMARK 500 ILE A 57 -151.85 -89.66 REMARK 500 TRP A 59 50.32 -145.57 REMARK 500 LYS A 60 -132.06 -89.98 REMARK 500 GLU A 61 -85.85 -80.52 REMARK 500 MET A 65 -35.44 -30.28 REMARK 500 PRO A 71 -78.36 -51.64 REMARK 500 LYS A 72 -28.45 -39.80 REMARK 500 ILE A 75 92.67 -161.35 REMARK 500 PHE A 82 107.92 179.91 REMARK 500 ALA A 83 73.23 -105.46 REMARK 500 LYS A 87 -99.73 -48.33 REMARK 500 LYS A 88 -73.83 179.98 REMARK 500 ILE A 95 -76.46 -57.01 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 38 0.31 SIDE_CHAIN REMARK 500 ARG A 91 0.31 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 HEC A 105 FE REMARK 620 N RES CSSEQI ATOM REMARK 620 1 HIS A 18 NE2 REMARK 620 2 MET A 80 SD 152.0 REMARK 620 N 1 REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE HEC A 105 DBREF 1OCD A 1 104 UNP P00004 CYC_HORSE 1 104 SEQRES 1 A 104 GLY ASP VAL GLU LYS GLY LYS LYS ILE PHE VAL GLN LYS SEQRES 2 A 104 CYS ALA GLN CYS HIS THR VAL GLU LYS GLY GLY LYS HIS SEQRES 3 A 104 LYS THR GLY PRO ASN LEU HIS GLY LEU PHE GLY ARG LYS SEQRES 4 A 104 THR GLY GLN ALA PRO GLY PHE THR TYR THR ASP ALA ASN SEQRES 5 A 104 LYS ASN LYS GLY ILE THR TRP LYS GLU GLU THR LEU MET SEQRES 6 A 104 GLU TYR LEU GLU ASN PRO LYS LYS TYR ILE PRO GLY THR SEQRES 7 A 104 LYS MET ILE PHE ALA GLY ILE LYS LYS LYS THR GLU ARG SEQRES 8 A 104 GLU ASP LEU ILE ALA TYR LEU LYS LYS ALA THR ASN GLU HET HEC A 105 75 HETNAM HEC HEME C FORMUL 2 HEC C34 H34 FE N4 O4 FORMUL 3 HOH *6(H2 O) HELIX 1 NR VAL A 3 CYS A 14 1 12 HELIX 2 60R LYS A 60 LEU A 68 1 9 HELIX 3 70R ASN A 70 ILE A 75 5 6 HELIX 4 CR LYS A 88 THR A 102 1 15 LINK CAB HEC A 105 SG CYS A 14 1555 1555 1.81 LINK CAC HEC A 105 SG CYS A 17 1555 1555 1.81 LINK FE HEC A 105 NE2 HIS A 18 1555 1555 2.06 LINK FE HEC A 105 SD MET A 80 1555 1555 2.44 SITE *** AC1 20 CYS A 14 CYS A 17 HIS A 18 PRO A 30 SITE *** AC1 20 THR A 40 GLN A 42 THR A 47 TYR A 48 SITE *** AC1 20 THR A 49 ASN A 52 TRP A 59 LEU A 64 SITE *** AC1 20 TYR A 67 LEU A 68 THR A 78 LYS A 79 SITE *** AC1 20 MET A 80 PHE A 82 ILE A 85 LEU A 94 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 18 HIS HE2 : A 18 HIS NE2 : A 105 HECFE :(H bumps) USER MOD NoAdj-H: A 105 HEC HAC : A 105 HEC CAC : A 17 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC HAB : A 105 HEC CAB : A 14 CYS SG :(H bumps) USER MOD NoAdj-H: A 105 HEC H2D : A 105 HEC O2D : A 105 HEC CGD :(short bond) USER MOD NoAdj-H: A 105 HEC H2A : A 105 HEC O2A : A 105 HEC CGA :(short bond) USER MOD Set 1.1: A 42 GLN : amide:sc= -7.83! C(o=-13!,f=-11!) USER MOD Set 1.2: A 48 TYR OH : rot 30:sc= -4.98! USER MOD Set 2.1: A 40 THR OG1 : rot 110:sc= -2.28! USER MOD Set 2.2: A 52 ASN : amide:sc= -16.5! C(o=-19!,f=-21!) USER MOD Set 3.1: A 16 GLN : amide:sc= -0.0145 K(o=-0.014,f=-1.8!) USER MOD Set 3.2: A 28 THR OG1 : rot -150:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -3.54! C(o=-3.5!,f=-5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -141:sc= -0.196 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -3.01! C(o=-3!,f=-4.2!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -7.45! C(o=-7.4!,f=-11!) USER MOD Single : A 33 HIS : no HD1:sc= -2.85! K(o=-2.8!,f=-1.3) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -50:sc= 0.0742 USER MOD Single : A 49 THR OG1 : rot -177:sc= 1.01 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -1.02! C(o=-1!,f=-1.1!) USER MOD Single : A 55 LYS NZ :NH3+ 147:sc= -0.684 (180deg=-2.83!) USER MOD Single : A 58 THR OG1 : rot 180:sc=-0.00775 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -130:sc= 0.379 USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot -2:sc= -1.63 USER MOD Single : A 70 ASN : amide:sc= -4.71! C(o=-4.7!,f=-8.3!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -162:sc= -3.59! (180deg=-4.29!) USER MOD Single : A 74 TYR OH : rot 58:sc= 0.717 USER MOD Single : A 78 THR OG1 : rot 144:sc= -1.1 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -166:sc= -7.22! (180deg=-9.04!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0769 USER MOD Single : A 97 TYR OH : rot 172:sc= -4.97! USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= -4.62! USER MOD Single : A 103 ASN : amide:sc= -0.291 K(o=-0.29,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.370 -5.384 -8.137 1.00 1.30 N ATOM 2 CA GLY A 1 -12.235 -4.603 -6.875 1.00 0.68 C ATOM 3 C GLY A 1 -13.149 -3.377 -6.934 1.00 0.53 C ATOM 4 O GLY A 1 -14.338 -3.488 -7.159 1.00 0.64 O ATOM 0 H1 GLY A 1 -11.749 -6.217 -8.098 1.00 1.30 H new ATOM 0 H2 GLY A 1 -13.357 -5.692 -8.251 1.00 1.30 H new ATOM 0 H3 GLY A 1 -12.099 -4.788 -8.945 1.00 1.30 H new ATOM 0 HA2 GLY A 1 -12.498 -5.225 -6.020 1.00 0.68 H new ATOM 0 HA3 GLY A 1 -11.200 -4.292 -6.736 1.00 0.68 H new ATOM 10 N ASP A 2 -12.604 -2.208 -6.733 1.00 0.37 N ATOM 11 CA ASP A 2 -13.445 -0.979 -6.777 1.00 0.31 C ATOM 12 C ASP A 2 -12.549 0.250 -6.940 1.00 0.28 C ATOM 13 O ASP A 2 -11.368 0.213 -6.655 1.00 0.34 O ATOM 14 CB ASP A 2 -14.239 -0.857 -5.475 1.00 0.36 C ATOM 15 CG ASP A 2 -15.630 -1.463 -5.666 1.00 0.67 C ATOM 16 OD1 ASP A 2 -15.763 -2.662 -5.482 1.00 1.34 O ATOM 17 OD2 ASP A 2 -16.539 -0.718 -5.993 1.00 1.37 O ATOM 0 H ASP A 2 -11.615 -2.051 -6.541 1.00 0.37 H new ATOM 0 HA ASP A 2 -14.133 -1.042 -7.620 1.00 0.31 H new ATOM 0 HB2 ASP A 2 -13.715 -1.370 -4.668 1.00 0.36 H new ATOM 0 HB3 ASP A 2 -14.324 0.190 -5.185 1.00 0.36 H new ATOM 22 N VAL A 3 -13.102 1.341 -7.395 1.00 0.28 N ATOM 23 CA VAL A 3 -12.285 2.573 -7.573 1.00 0.27 C ATOM 24 C VAL A 3 -12.663 3.590 -6.494 1.00 0.25 C ATOM 25 O VAL A 3 -11.883 3.892 -5.612 1.00 0.27 O ATOM 26 CB VAL A 3 -12.555 3.169 -8.955 1.00 0.32 C ATOM 27 CG1 VAL A 3 -11.854 4.523 -9.072 1.00 0.41 C ATOM 28 CG2 VAL A 3 -12.018 2.223 -10.031 1.00 0.48 C ATOM 0 H VAL A 3 -14.085 1.432 -7.651 1.00 0.28 H new ATOM 0 HA VAL A 3 -11.227 2.326 -7.487 1.00 0.27 H new ATOM 0 HB VAL A 3 -13.628 3.302 -9.090 1.00 0.32 H new ATOM 0 HG11 VAL A 3 -12.046 4.948 -10.057 1.00 0.41 H new ATOM 0 HG12 VAL A 3 -12.235 5.197 -8.305 1.00 0.41 H new ATOM 0 HG13 VAL A 3 -10.781 4.390 -8.937 1.00 0.41 H new ATOM 0 HG21 VAL A 3 -12.210 2.647 -11.017 1.00 0.48 H new ATOM 0 HG22 VAL A 3 -10.945 2.090 -9.896 1.00 0.48 H new ATOM 0 HG23 VAL A 3 -12.516 1.257 -9.948 1.00 0.48 H new ATOM 38 N GLU A 4 -13.855 4.119 -6.554 1.00 0.26 N ATOM 39 CA GLU A 4 -14.281 5.111 -5.528 1.00 0.27 C ATOM 40 C GLU A 4 -14.272 4.448 -4.152 1.00 0.24 C ATOM 41 O GLU A 4 -14.060 5.091 -3.143 1.00 0.24 O ATOM 42 CB GLU A 4 -15.694 5.604 -5.849 1.00 0.31 C ATOM 43 CG GLU A 4 -15.616 6.993 -6.485 1.00 1.27 C ATOM 44 CD GLU A 4 -17.029 7.552 -6.663 1.00 1.74 C ATOM 45 OE1 GLU A 4 -17.961 6.765 -6.661 1.00 2.19 O ATOM 46 OE2 GLU A 4 -17.154 8.758 -6.798 1.00 2.41 O ATOM 0 H GLU A 4 -14.551 3.907 -7.269 1.00 0.26 H new ATOM 0 HA GLU A 4 -13.594 5.957 -5.530 1.00 0.27 H new ATOM 0 HB2 GLU A 4 -16.188 4.909 -6.528 1.00 0.31 H new ATOM 0 HB3 GLU A 4 -16.293 5.642 -4.939 1.00 0.31 H new ATOM 0 HG2 GLU A 4 -15.026 7.660 -5.856 1.00 1.27 H new ATOM 0 HG3 GLU A 4 -15.112 6.935 -7.450 1.00 1.27 H new ATOM 53 N LYS A 5 -14.491 3.163 -4.101 1.00 0.25 N ATOM 54 CA LYS A 5 -14.485 2.462 -2.790 1.00 0.24 C ATOM 55 C LYS A 5 -13.081 2.548 -2.191 1.00 0.22 C ATOM 56 O LYS A 5 -12.861 3.210 -1.200 1.00 0.24 O ATOM 57 CB LYS A 5 -14.873 0.996 -2.991 1.00 0.27 C ATOM 58 CG LYS A 5 -15.689 0.513 -1.790 1.00 0.63 C ATOM 59 CD LYS A 5 -17.181 0.652 -2.100 1.00 1.29 C ATOM 60 CE LYS A 5 -17.999 0.205 -0.887 1.00 1.67 C ATOM 61 NZ LYS A 5 -19.325 0.883 -0.906 1.00 2.14 N ATOM 0 H LYS A 5 -14.674 2.570 -4.911 1.00 0.25 H new ATOM 0 HA LYS A 5 -15.202 2.929 -2.115 1.00 0.24 H new ATOM 0 HB2 LYS A 5 -15.454 0.885 -3.907 1.00 0.27 H new ATOM 0 HB3 LYS A 5 -13.978 0.385 -3.105 1.00 0.27 H new ATOM 0 HG2 LYS A 5 -15.448 -0.526 -1.567 1.00 0.63 H new ATOM 0 HG3 LYS A 5 -15.434 1.096 -0.905 1.00 0.63 H new ATOM 0 HD2 LYS A 5 -17.416 1.687 -2.349 1.00 1.29 H new ATOM 0 HD3 LYS A 5 -17.440 0.048 -2.969 1.00 1.29 H new ATOM 0 HE2 LYS A 5 -18.131 -0.877 -0.903 1.00 1.67 H new ATOM 0 HE3 LYS A 5 -17.467 0.448 0.033 1.00 1.67 H new ATOM 0 HZ1 LYS A 5 -19.882 0.580 -0.082 1.00 2.14 H new ATOM 0 HZ2 LYS A 5 -19.189 1.913 -0.872 1.00 2.14 H new ATOM 0 HZ3 LYS A 5 -19.832 0.630 -1.778 1.00 2.14 H new ATOM 75 N GLY A 6 -12.127 1.895 -2.798 1.00 0.22 N ATOM 76 CA GLY A 6 -10.733 1.947 -2.275 1.00 0.22 C ATOM 77 C GLY A 6 -10.208 3.376 -2.402 1.00 0.21 C ATOM 78 O GLY A 6 -9.176 3.715 -1.864 1.00 0.23 O ATOM 0 H GLY A 6 -12.254 1.327 -3.635 1.00 0.22 H new ATOM 0 HA2 GLY A 6 -10.710 1.628 -1.233 1.00 0.22 H new ATOM 0 HA3 GLY A 6 -10.096 1.261 -2.833 1.00 0.22 H new ATOM 82 N LYS A 7 -10.919 4.224 -3.096 1.00 0.21 N ATOM 83 CA LYS A 7 -10.461 5.633 -3.224 1.00 0.23 C ATOM 84 C LYS A 7 -10.684 6.311 -1.880 1.00 0.22 C ATOM 85 O LYS A 7 -9.936 7.174 -1.468 1.00 0.24 O ATOM 86 CB LYS A 7 -11.269 6.350 -4.309 1.00 0.26 C ATOM 87 CG LYS A 7 -10.780 7.794 -4.437 1.00 0.41 C ATOM 88 CD LYS A 7 -11.762 8.591 -5.298 1.00 1.00 C ATOM 89 CE LYS A 7 -11.220 10.005 -5.515 1.00 1.23 C ATOM 90 NZ LYS A 7 -12.321 10.893 -5.982 1.00 1.73 N ATOM 0 H LYS A 7 -11.791 4.002 -3.576 1.00 0.21 H new ATOM 0 HA LYS A 7 -9.408 5.669 -3.503 1.00 0.23 H new ATOM 0 HB2 LYS A 7 -11.159 5.832 -5.262 1.00 0.26 H new ATOM 0 HB3 LYS A 7 -12.330 6.335 -4.058 1.00 0.26 H new ATOM 0 HG2 LYS A 7 -10.693 8.249 -3.450 1.00 0.41 H new ATOM 0 HG3 LYS A 7 -9.787 7.814 -4.886 1.00 0.41 H new ATOM 0 HD2 LYS A 7 -11.907 8.094 -6.257 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -12.736 8.634 -4.811 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.797 10.390 -4.587 1.00 1.23 H new ATOM 0 HE3 LYS A 7 -10.415 9.989 -6.250 1.00 1.23 H new ATOM 0 HZ1 LYS A 7 -11.953 11.854 -6.130 1.00 1.73 H new ATOM 0 HZ2 LYS A 7 -12.705 10.528 -6.877 1.00 1.73 H new ATOM 0 HZ3 LYS A 7 -13.075 10.917 -5.266 1.00 1.73 H new ATOM 104 N LYS A 8 -11.704 5.899 -1.185 1.00 0.22 N ATOM 105 CA LYS A 8 -11.986 6.481 0.147 1.00 0.24 C ATOM 106 C LYS A 8 -11.247 5.656 1.200 1.00 0.22 C ATOM 107 O LYS A 8 -10.811 6.171 2.209 1.00 0.27 O ATOM 108 CB LYS A 8 -13.488 6.434 0.411 1.00 0.27 C ATOM 109 CG LYS A 8 -13.936 7.746 1.059 1.00 0.35 C ATOM 110 CD LYS A 8 -15.369 8.062 0.627 1.00 0.92 C ATOM 111 CE LYS A 8 -15.799 9.403 1.226 1.00 1.70 C ATOM 112 NZ LYS A 8 -17.287 9.479 1.255 1.00 2.28 N ATOM 0 H LYS A 8 -12.358 5.178 -1.488 1.00 0.22 H new ATOM 0 HA LYS A 8 -11.652 7.518 0.187 1.00 0.24 H new ATOM 0 HB2 LYS A 8 -14.027 6.275 -0.523 1.00 0.27 H new ATOM 0 HB3 LYS A 8 -13.727 5.594 1.063 1.00 0.27 H new ATOM 0 HG2 LYS A 8 -13.881 7.666 2.145 1.00 0.35 H new ATOM 0 HG3 LYS A 8 -13.269 8.556 0.765 1.00 0.35 H new ATOM 0 HD2 LYS A 8 -15.432 8.100 -0.460 1.00 0.92 H new ATOM 0 HD3 LYS A 8 -16.042 7.271 0.958 1.00 0.92 H new ATOM 0 HE2 LYS A 8 -15.399 9.508 2.234 1.00 1.70 H new ATOM 0 HE3 LYS A 8 -15.394 10.224 0.635 1.00 1.70 H new ATOM 0 HZ1 LYS A 8 -17.580 10.390 1.662 1.00 2.28 H new ATOM 0 HZ2 LYS A 8 -17.658 9.397 0.287 1.00 2.28 H new ATOM 0 HZ3 LYS A 8 -17.663 8.703 1.837 1.00 2.28 H new ATOM 126 N ILE A 9 -11.084 4.378 0.960 1.00 0.21 N ATOM 127 CA ILE A 9 -10.353 3.523 1.942 1.00 0.21 C ATOM 128 C ILE A 9 -8.888 3.937 1.952 1.00 0.21 C ATOM 129 O ILE A 9 -8.200 3.841 2.950 1.00 0.30 O ATOM 130 CB ILE A 9 -10.422 2.057 1.510 1.00 0.22 C ATOM 131 CG1 ILE A 9 -11.873 1.668 1.199 1.00 0.22 C ATOM 132 CG2 ILE A 9 -9.872 1.167 2.628 1.00 0.27 C ATOM 133 CD1 ILE A 9 -12.646 1.431 2.501 1.00 0.34 C ATOM 0 H ILE A 9 -11.424 3.893 0.130 1.00 0.21 H new ATOM 0 HA ILE A 9 -10.804 3.643 2.927 1.00 0.21 H new ATOM 0 HB ILE A 9 -9.821 1.920 0.611 1.00 0.22 H new ATOM 0 HG12 ILE A 9 -12.353 2.457 0.621 1.00 0.22 H new ATOM 0 HG13 ILE A 9 -11.893 0.767 0.586 1.00 0.22 H new ATOM 0 HG21 ILE A 9 -9.922 0.123 2.319 1.00 0.27 H new ATOM 0 HG22 ILE A 9 -8.836 1.437 2.831 1.00 0.27 H new ATOM 0 HG23 ILE A 9 -10.467 1.307 3.531 1.00 0.27 H new ATOM 0 HD11 ILE A 9 -13.675 1.156 2.268 1.00 0.34 H new ATOM 0 HD12 ILE A 9 -12.173 0.626 3.064 1.00 0.34 H new ATOM 0 HD13 ILE A 9 -12.641 2.343 3.098 1.00 0.34 H new ATOM 145 N PHE A 10 -8.407 4.377 0.829 1.00 0.17 N ATOM 146 CA PHE A 10 -6.985 4.779 0.727 1.00 0.17 C ATOM 147 C PHE A 10 -6.792 6.193 1.275 1.00 0.19 C ATOM 148 O PHE A 10 -5.969 6.428 2.140 1.00 0.22 O ATOM 149 CB PHE A 10 -6.566 4.754 -0.745 1.00 0.18 C ATOM 150 CG PHE A 10 -5.093 5.056 -0.850 1.00 0.17 C ATOM 151 CD1 PHE A 10 -4.153 4.074 -0.520 1.00 0.21 C ATOM 152 CD2 PHE A 10 -4.668 6.317 -1.278 1.00 0.21 C ATOM 153 CE1 PHE A 10 -2.788 4.358 -0.611 1.00 0.23 C ATOM 154 CE2 PHE A 10 -3.305 6.601 -1.370 1.00 0.22 C ATOM 155 CZ PHE A 10 -2.367 5.628 -1.035 1.00 0.21 C ATOM 0 H PHE A 10 -8.945 4.476 -0.032 1.00 0.17 H new ATOM 0 HA PHE A 10 -6.376 4.086 1.308 1.00 0.17 H new ATOM 0 HB2 PHE A 10 -6.780 3.777 -1.179 1.00 0.18 H new ATOM 0 HB3 PHE A 10 -7.140 5.488 -1.311 1.00 0.18 H new ATOM 0 HD1 PHE A 10 -4.482 3.098 -0.195 1.00 0.21 H new ATOM 0 HD2 PHE A 10 -5.395 7.072 -1.538 1.00 0.21 H new ATOM 0 HE1 PHE A 10 -2.059 3.603 -0.356 1.00 0.23 H new ATOM 0 HE2 PHE A 10 -2.978 7.575 -1.701 1.00 0.22 H new ATOM 0 HZ PHE A 10 -1.312 5.851 -1.102 1.00 0.21 H new ATOM 165 N VAL A 11 -7.529 7.138 0.759 1.00 0.18 N ATOM 166 CA VAL A 11 -7.376 8.546 1.220 1.00 0.21 C ATOM 167 C VAL A 11 -7.875 8.700 2.656 1.00 0.24 C ATOM 168 O VAL A 11 -7.741 9.748 3.256 1.00 0.29 O ATOM 169 CB VAL A 11 -8.175 9.472 0.300 1.00 0.24 C ATOM 170 CG1 VAL A 11 -7.712 10.916 0.501 1.00 0.35 C ATOM 171 CG2 VAL A 11 -7.952 9.065 -1.160 1.00 0.22 C ATOM 0 H VAL A 11 -8.233 6.994 0.035 1.00 0.18 H new ATOM 0 HA VAL A 11 -6.319 8.812 1.188 1.00 0.21 H new ATOM 0 HB VAL A 11 -9.235 9.392 0.541 1.00 0.24 H new ATOM 0 HG11 VAL A 11 -8.281 11.575 -0.154 1.00 0.35 H new ATOM 0 HG12 VAL A 11 -7.873 11.209 1.539 1.00 0.35 H new ATOM 0 HG13 VAL A 11 -6.651 10.995 0.262 1.00 0.35 H new ATOM 0 HG21 VAL A 11 -8.522 9.726 -1.813 1.00 0.22 H new ATOM 0 HG22 VAL A 11 -6.892 9.142 -1.401 1.00 0.22 H new ATOM 0 HG23 VAL A 11 -8.283 8.037 -1.306 1.00 0.22 H new ATOM 181 N GLN A 12 -8.447 7.677 3.216 1.00 0.23 N ATOM 182 CA GLN A 12 -8.947 7.791 4.612 1.00 0.29 C ATOM 183 C GLN A 12 -7.947 7.156 5.582 1.00 0.33 C ATOM 184 O GLN A 12 -7.767 7.616 6.692 1.00 0.39 O ATOM 185 CB GLN A 12 -10.283 7.064 4.728 1.00 0.31 C ATOM 186 CG GLN A 12 -10.042 5.558 4.641 1.00 0.61 C ATOM 187 CD GLN A 12 -11.365 4.817 4.841 1.00 0.95 C ATOM 188 OE1 GLN A 12 -12.227 4.848 3.985 1.00 1.50 O ATOM 189 NE2 GLN A 12 -11.564 4.147 5.943 1.00 1.61 N ATOM 0 H GLN A 12 -8.591 6.770 2.772 1.00 0.23 H new ATOM 0 HA GLN A 12 -9.071 8.845 4.861 1.00 0.29 H new ATOM 0 HB2 GLN A 12 -10.766 7.314 5.673 1.00 0.31 H new ATOM 0 HB3 GLN A 12 -10.955 7.384 3.932 1.00 0.31 H new ATOM 0 HG2 GLN A 12 -9.613 5.303 3.672 1.00 0.61 H new ATOM 0 HG3 GLN A 12 -9.322 5.250 5.399 1.00 0.61 H new ATOM 0 HE21 GLN A 12 -10.841 4.121 6.662 1.00 1.61 H new ATOM 0 HE22 GLN A 12 -12.443 3.649 6.086 1.00 1.61 H new ATOM 198 N LYS A 13 -7.320 6.082 5.187 1.00 0.31 N ATOM 199 CA LYS A 13 -6.364 5.403 6.109 1.00 0.38 C ATOM 200 C LYS A 13 -4.908 5.617 5.670 1.00 0.37 C ATOM 201 O LYS A 13 -4.089 6.076 6.441 1.00 0.42 O ATOM 202 CB LYS A 13 -6.670 3.904 6.130 1.00 0.43 C ATOM 203 CG LYS A 13 -7.832 3.626 7.089 1.00 0.68 C ATOM 204 CD LYS A 13 -7.522 4.222 8.464 1.00 0.91 C ATOM 205 CE LYS A 13 -8.446 5.413 8.725 1.00 1.21 C ATOM 206 NZ LYS A 13 -9.300 5.129 9.913 1.00 1.65 N ATOM 0 H LYS A 13 -7.427 5.647 4.271 1.00 0.31 H new ATOM 0 HA LYS A 13 -6.484 5.833 7.103 1.00 0.38 H new ATOM 0 HB2 LYS A 13 -6.924 3.561 5.127 1.00 0.43 H new ATOM 0 HB3 LYS A 13 -5.787 3.347 6.443 1.00 0.43 H new ATOM 0 HG2 LYS A 13 -8.752 4.057 6.695 1.00 0.68 H new ATOM 0 HG3 LYS A 13 -7.995 2.552 7.176 1.00 0.68 H new ATOM 0 HD2 LYS A 13 -7.657 3.467 9.238 1.00 0.91 H new ATOM 0 HD3 LYS A 13 -6.480 4.540 8.508 1.00 0.91 H new ATOM 0 HE2 LYS A 13 -7.856 6.314 8.895 1.00 1.21 H new ATOM 0 HE3 LYS A 13 -9.070 5.601 7.852 1.00 1.21 H new ATOM 0 HZ1 LYS A 13 -9.928 5.939 10.090 1.00 1.65 H new ATOM 0 HZ2 LYS A 13 -9.872 4.279 9.734 1.00 1.65 H new ATOM 0 HZ3 LYS A 13 -8.696 4.971 10.745 1.00 1.65 H new ATOM 220 N CYS A 14 -4.562 5.272 4.456 1.00 0.34 N ATOM 221 CA CYS A 14 -3.141 5.448 4.020 1.00 0.38 C ATOM 222 C CYS A 14 -3.011 6.695 3.147 1.00 0.29 C ATOM 223 O CYS A 14 -2.312 6.697 2.155 1.00 0.30 O ATOM 224 CB CYS A 14 -2.654 4.227 3.216 1.00 0.49 C ATOM 225 SG CYS A 14 -3.789 2.825 3.410 1.00 0.80 S ATOM 0 H CYS A 14 -5.191 4.881 3.755 1.00 0.34 H new ATOM 0 HA CYS A 14 -2.529 5.553 4.916 1.00 0.38 H new ATOM 0 HB2 CYS A 14 -2.573 4.490 2.161 1.00 0.49 H new ATOM 0 HB3 CYS A 14 -1.657 3.941 3.551 1.00 0.49 H new ATOM 230 N ALA A 15 -3.672 7.757 3.500 1.00 0.24 N ATOM 231 CA ALA A 15 -3.566 8.992 2.676 1.00 0.19 C ATOM 232 C ALA A 15 -2.410 9.857 3.188 1.00 0.19 C ATOM 233 O ALA A 15 -1.739 10.522 2.424 1.00 0.26 O ATOM 234 CB ALA A 15 -4.871 9.782 2.767 1.00 0.21 C ATOM 0 H ALA A 15 -4.278 7.826 4.318 1.00 0.24 H new ATOM 0 HA ALA A 15 -3.379 8.716 1.638 1.00 0.19 H new ATOM 0 HB1 ALA A 15 -4.792 10.686 2.163 1.00 0.21 H new ATOM 0 HB2 ALA A 15 -5.694 9.170 2.398 1.00 0.21 H new ATOM 0 HB3 ALA A 15 -5.060 10.055 3.805 1.00 0.21 H new ATOM 240 N GLN A 16 -2.178 9.869 4.476 1.00 0.16 N ATOM 241 CA GLN A 16 -1.071 10.711 5.016 1.00 0.17 C ATOM 242 C GLN A 16 0.248 9.959 4.954 1.00 0.20 C ATOM 243 O GLN A 16 1.283 10.479 5.307 1.00 0.38 O ATOM 244 CB GLN A 16 -1.349 11.092 6.467 1.00 0.21 C ATOM 245 CG GLN A 16 -0.228 12.020 6.952 1.00 0.29 C ATOM 246 CD GLN A 16 -0.625 12.638 8.295 1.00 0.45 C ATOM 247 OE1 GLN A 16 -1.713 12.409 8.785 1.00 1.13 O ATOM 248 NE2 GLN A 16 0.218 13.417 8.916 1.00 1.25 N ATOM 0 H GLN A 16 -2.702 9.337 5.171 1.00 0.16 H new ATOM 0 HA GLN A 16 -1.008 11.612 4.406 1.00 0.17 H new ATOM 0 HB2 GLN A 16 -2.315 11.590 6.549 1.00 0.21 H new ATOM 0 HB3 GLN A 16 -1.397 10.199 7.090 1.00 0.21 H new ATOM 0 HG2 GLN A 16 0.702 11.461 7.057 1.00 0.29 H new ATOM 0 HG3 GLN A 16 -0.047 12.805 6.217 1.00 0.29 H new ATOM 0 HE21 GLN A 16 1.132 13.610 8.506 1.00 1.25 H new ATOM 0 HE22 GLN A 16 -0.037 13.833 9.812 1.00 1.25 H new ATOM 257 N CYS A 17 0.228 8.742 4.526 1.00 0.19 N ATOM 258 CA CYS A 17 1.495 7.979 4.469 1.00 0.20 C ATOM 259 C CYS A 17 1.637 7.302 3.107 1.00 0.22 C ATOM 260 O CYS A 17 2.676 6.768 2.773 1.00 0.43 O ATOM 261 CB CYS A 17 1.464 6.923 5.556 1.00 0.24 C ATOM 262 SG CYS A 17 2.910 7.090 6.639 1.00 0.32 S ATOM 0 H CYS A 17 -0.604 8.241 4.214 1.00 0.19 H new ATOM 0 HA CYS A 17 2.340 8.652 4.616 1.00 0.20 H new ATOM 0 HB2 CYS A 17 0.550 7.021 6.141 1.00 0.24 H new ATOM 0 HB3 CYS A 17 1.450 5.930 5.107 1.00 0.24 H new ATOM 267 N HIS A 18 0.609 7.316 2.314 1.00 0.21 N ATOM 268 CA HIS A 18 0.705 6.677 0.986 1.00 0.22 C ATOM 269 C HIS A 18 0.003 7.567 -0.041 1.00 0.22 C ATOM 270 O HIS A 18 -1.206 7.668 -0.072 1.00 0.30 O ATOM 271 CB HIS A 18 0.045 5.295 1.031 1.00 0.26 C ATOM 272 CG HIS A 18 1.000 4.276 1.605 1.00 0.24 C ATOM 273 ND1 HIS A 18 2.043 3.732 0.868 1.00 0.41 N ATOM 274 CD2 HIS A 18 1.062 3.672 2.836 1.00 0.40 C ATOM 275 CE1 HIS A 18 2.678 2.844 1.655 1.00 0.36 C ATOM 276 NE2 HIS A 18 2.123 2.766 2.866 1.00 0.30 N ATOM 0 H HIS A 18 -0.292 7.743 2.530 1.00 0.21 H new ATOM 0 HA HIS A 18 1.751 6.554 0.704 1.00 0.22 H new ATOM 0 HB2 HIS A 18 -0.860 5.336 1.637 1.00 0.26 H new ATOM 0 HB3 HIS A 18 -0.257 4.996 0.027 1.00 0.26 H new ATOM 0 HD1 HIS A 18 2.284 3.963 -0.096 1.00 0.41 H new ATOM 0 HD2 HIS A 18 0.390 3.869 3.658 1.00 0.40 H new ATOM 0 HE1 HIS A 18 3.534 2.264 1.344 1.00 0.36 H new ATOM 284 N THR A 19 0.760 8.236 -0.863 1.00 0.22 N ATOM 285 CA THR A 19 0.152 9.139 -1.878 1.00 0.21 C ATOM 286 C THR A 19 0.052 8.436 -3.236 1.00 0.21 C ATOM 287 O THR A 19 0.986 7.811 -3.703 1.00 0.27 O ATOM 288 CB THR A 19 1.027 10.383 -2.029 1.00 0.22 C ATOM 289 OG1 THR A 19 2.395 10.001 -2.008 1.00 0.24 O ATOM 290 CG2 THR A 19 0.749 11.355 -0.884 1.00 0.33 C ATOM 0 H THR A 19 1.779 8.196 -0.876 1.00 0.22 H new ATOM 0 HA THR A 19 -0.849 9.414 -1.547 1.00 0.21 H new ATOM 0 HB THR A 19 0.798 10.873 -2.976 1.00 0.22 H new ATOM 0 HG1 THR A 19 2.912 10.664 -1.504 1.00 0.24 H new ATOM 0 HG21 THR A 19 1.376 12.240 -0.997 1.00 0.33 H new ATOM 0 HG22 THR A 19 -0.300 11.649 -0.903 1.00 0.33 H new ATOM 0 HG23 THR A 19 0.973 10.871 0.067 1.00 0.33 H new ATOM 298 N VAL A 20 -1.074 8.554 -3.883 1.00 0.23 N ATOM 299 CA VAL A 20 -1.242 7.911 -5.216 1.00 0.27 C ATOM 300 C VAL A 20 -1.931 8.893 -6.169 1.00 0.32 C ATOM 301 O VAL A 20 -1.429 9.193 -7.234 1.00 0.59 O ATOM 302 CB VAL A 20 -2.092 6.643 -5.074 1.00 0.38 C ATOM 303 CG1 VAL A 20 -3.304 6.928 -4.188 1.00 0.81 C ATOM 304 CG2 VAL A 20 -2.582 6.195 -6.451 1.00 0.52 C ATOM 0 H VAL A 20 -1.887 9.069 -3.545 1.00 0.23 H new ATOM 0 HA VAL A 20 -0.265 7.642 -5.617 1.00 0.27 H new ATOM 0 HB VAL A 20 -1.483 5.859 -4.624 1.00 0.38 H new ATOM 0 HG11 VAL A 20 -3.904 6.023 -4.091 1.00 0.81 H new ATOM 0 HG12 VAL A 20 -2.967 7.248 -3.202 1.00 0.81 H new ATOM 0 HG13 VAL A 20 -3.907 7.717 -4.639 1.00 0.81 H new ATOM 0 HG21 VAL A 20 -3.186 5.294 -6.347 1.00 0.52 H new ATOM 0 HG22 VAL A 20 -3.185 6.986 -6.898 1.00 0.52 H new ATOM 0 HG23 VAL A 20 -1.725 5.986 -7.092 1.00 0.52 H new ATOM 314 N GLU A 21 -3.076 9.395 -5.795 1.00 0.46 N ATOM 315 CA GLU A 21 -3.791 10.355 -6.683 1.00 0.51 C ATOM 316 C GLU A 21 -3.361 11.783 -6.343 1.00 0.62 C ATOM 317 O GLU A 21 -3.667 12.720 -7.054 1.00 1.03 O ATOM 318 CB GLU A 21 -5.301 10.213 -6.476 1.00 0.75 C ATOM 319 CG GLU A 21 -5.909 9.462 -7.661 1.00 1.46 C ATOM 320 CD GLU A 21 -7.244 10.105 -8.043 1.00 1.92 C ATOM 321 OE1 GLU A 21 -8.063 10.292 -7.158 1.00 2.37 O ATOM 322 OE2 GLU A 21 -7.424 10.401 -9.212 1.00 2.55 O ATOM 0 H GLU A 21 -3.546 9.183 -4.915 1.00 0.46 H new ATOM 0 HA GLU A 21 -3.545 10.140 -7.723 1.00 0.51 H new ATOM 0 HB2 GLU A 21 -5.503 9.676 -5.549 1.00 0.75 H new ATOM 0 HB3 GLU A 21 -5.760 11.197 -6.381 1.00 0.75 H new ATOM 0 HG2 GLU A 21 -5.226 9.486 -8.510 1.00 1.46 H new ATOM 0 HG3 GLU A 21 -6.059 8.414 -7.402 1.00 1.46 H new ATOM 329 N LYS A 22 -2.651 11.958 -5.262 1.00 0.84 N ATOM 330 CA LYS A 22 -2.201 13.325 -4.878 1.00 1.13 C ATOM 331 C LYS A 22 -0.884 13.644 -5.590 1.00 0.83 C ATOM 332 O LYS A 22 -0.651 14.759 -6.014 1.00 1.16 O ATOM 333 CB LYS A 22 -1.991 13.387 -3.364 1.00 1.79 C ATOM 334 CG LYS A 22 -3.172 14.108 -2.713 1.00 2.24 C ATOM 335 CD LYS A 22 -2.654 15.269 -1.861 1.00 2.68 C ATOM 336 CE LYS A 22 -3.554 16.490 -2.062 1.00 3.12 C ATOM 337 NZ LYS A 22 -3.761 17.175 -0.755 1.00 3.69 N ATOM 0 H LYS A 22 -2.363 11.213 -4.628 1.00 0.84 H new ATOM 0 HA LYS A 22 -2.958 14.053 -5.168 1.00 1.13 H new ATOM 0 HB2 LYS A 22 -1.898 12.380 -2.958 1.00 1.79 H new ATOM 0 HB3 LYS A 22 -1.062 13.910 -3.136 1.00 1.79 H new ATOM 0 HG2 LYS A 22 -3.852 14.480 -3.479 1.00 2.24 H new ATOM 0 HG3 LYS A 22 -3.739 13.413 -2.094 1.00 2.24 H new ATOM 0 HD2 LYS A 22 -2.639 14.984 -0.809 1.00 2.68 H new ATOM 0 HD3 LYS A 22 -1.628 15.510 -2.140 1.00 2.68 H new ATOM 0 HE2 LYS A 22 -3.100 17.176 -2.776 1.00 3.12 H new ATOM 0 HE3 LYS A 22 -4.513 16.183 -2.480 1.00 3.12 H new ATOM 0 HZ1 LYS A 22 -4.373 18.005 -0.891 1.00 3.69 H new ATOM 0 HZ2 LYS A 22 -4.212 16.518 -0.087 1.00 3.69 H new ATOM 0 HZ3 LYS A 22 -2.843 17.480 -0.374 1.00 3.69 H new ATOM 351 N GLY A 23 -0.021 12.674 -5.724 1.00 0.64 N ATOM 352 CA GLY A 23 1.278 12.923 -6.408 1.00 0.84 C ATOM 353 C GLY A 23 2.100 11.633 -6.432 1.00 0.63 C ATOM 354 O GLY A 23 2.638 11.248 -7.451 1.00 0.92 O ATOM 0 H GLY A 23 -0.160 11.721 -5.389 1.00 0.64 H new ATOM 0 HA2 GLY A 23 1.104 13.274 -7.425 1.00 0.84 H new ATOM 0 HA3 GLY A 23 1.829 13.708 -5.890 1.00 0.84 H new ATOM 358 N GLY A 24 2.205 10.963 -5.317 1.00 0.42 N ATOM 359 CA GLY A 24 2.996 9.701 -5.279 1.00 0.28 C ATOM 360 C GLY A 24 4.393 9.995 -4.722 1.00 0.25 C ATOM 361 O GLY A 24 5.345 9.298 -5.008 1.00 0.28 O ATOM 0 H GLY A 24 1.778 11.235 -4.432 1.00 0.42 H new ATOM 0 HA2 GLY A 24 2.492 8.961 -4.657 1.00 0.28 H new ATOM 0 HA3 GLY A 24 3.073 9.276 -6.280 1.00 0.28 H new ATOM 365 N LYS A 25 4.524 11.026 -3.933 1.00 0.26 N ATOM 366 CA LYS A 25 5.860 11.366 -3.360 1.00 0.26 C ATOM 367 C LYS A 25 6.042 10.648 -2.027 1.00 0.25 C ATOM 368 O LYS A 25 5.131 10.027 -1.516 1.00 0.27 O ATOM 369 CB LYS A 25 5.941 12.875 -3.109 1.00 0.31 C ATOM 370 CG LYS A 25 6.004 13.615 -4.446 1.00 0.41 C ATOM 371 CD LYS A 25 6.527 15.035 -4.219 1.00 1.27 C ATOM 372 CE LYS A 25 7.300 15.498 -5.456 1.00 1.79 C ATOM 373 NZ LYS A 25 6.504 16.526 -6.183 1.00 2.46 N ATOM 0 H LYS A 25 3.764 11.649 -3.659 1.00 0.26 H new ATOM 0 HA LYS A 25 6.635 11.059 -4.062 1.00 0.26 H new ATOM 0 HB2 LYS A 25 5.073 13.206 -2.539 1.00 0.31 H new ATOM 0 HB3 LYS A 25 6.822 13.108 -2.511 1.00 0.31 H new ATOM 0 HG2 LYS A 25 6.656 13.082 -5.138 1.00 0.41 H new ATOM 0 HG3 LYS A 25 5.015 13.649 -4.902 1.00 0.41 H new ATOM 0 HD2 LYS A 25 5.696 15.713 -4.021 1.00 1.27 H new ATOM 0 HD3 LYS A 25 7.174 15.060 -3.342 1.00 1.27 H new ATOM 0 HE2 LYS A 25 8.265 15.911 -5.162 1.00 1.79 H new ATOM 0 HE3 LYS A 25 7.502 14.650 -6.110 1.00 1.79 H new ATOM 0 HZ1 LYS A 25 7.029 16.841 -7.024 1.00 2.46 H new ATOM 0 HZ2 LYS A 25 5.594 16.117 -6.476 1.00 2.46 H new ATOM 0 HZ3 LYS A 25 6.333 17.339 -5.557 1.00 2.46 H new ATOM 387 N HIS A 26 7.203 10.757 -1.442 1.00 0.26 N ATOM 388 CA HIS A 26 7.423 10.115 -0.121 1.00 0.27 C ATOM 389 C HIS A 26 6.978 11.114 0.947 1.00 0.24 C ATOM 390 O HIS A 26 7.755 11.529 1.783 1.00 0.24 O ATOM 391 CB HIS A 26 8.909 9.780 0.077 1.00 0.34 C ATOM 392 CG HIS A 26 9.532 9.385 -1.237 1.00 0.38 C ATOM 393 ND1 HIS A 26 9.517 8.077 -1.702 1.00 0.68 N ATOM 394 CD2 HIS A 26 10.210 10.109 -2.185 1.00 1.35 C ATOM 395 CE1 HIS A 26 10.170 8.057 -2.880 1.00 0.32 C ATOM 396 NE2 HIS A 26 10.612 9.270 -3.221 1.00 1.17 N ATOM 0 H HIS A 26 8.004 11.261 -1.822 1.00 0.26 H new ATOM 0 HA HIS A 26 6.857 9.186 -0.055 1.00 0.27 H new ATOM 0 HB2 HIS A 26 9.432 10.642 0.491 1.00 0.34 H new ATOM 0 HB3 HIS A 26 9.014 8.968 0.796 1.00 0.34 H new ATOM 0 HD2 HIS A 26 10.403 11.170 -2.135 1.00 1.35 H new ATOM 0 HE1 HIS A 26 10.318 7.168 -3.476 1.00 0.32 H new ATOM 0 HE2 HIS A 26 11.132 9.527 -4.060 1.00 1.17 H new ATOM 404 N LYS A 27 5.733 11.520 0.904 1.00 0.25 N ATOM 405 CA LYS A 27 5.226 12.510 1.897 1.00 0.26 C ATOM 406 C LYS A 27 5.408 11.944 3.309 1.00 0.25 C ATOM 407 O LYS A 27 6.381 11.276 3.593 1.00 0.28 O ATOM 408 CB LYS A 27 3.741 12.775 1.639 1.00 0.31 C ATOM 409 CG LYS A 27 3.397 14.206 2.057 1.00 0.90 C ATOM 410 CD LYS A 27 2.461 14.829 1.020 1.00 1.19 C ATOM 411 CE LYS A 27 2.373 16.339 1.253 1.00 1.78 C ATOM 412 NZ LYS A 27 1.462 16.945 0.242 1.00 2.20 N ATOM 0 H LYS A 27 5.045 11.205 0.220 1.00 0.25 H new ATOM 0 HA LYS A 27 5.781 13.443 1.803 1.00 0.26 H new ATOM 0 HB2 LYS A 27 3.513 12.629 0.583 1.00 0.31 H new ATOM 0 HB3 LYS A 27 3.132 12.065 2.198 1.00 0.31 H new ATOM 0 HG2 LYS A 27 2.922 14.205 3.038 1.00 0.90 H new ATOM 0 HG3 LYS A 27 4.307 14.800 2.144 1.00 0.90 H new ATOM 0 HD2 LYS A 27 2.829 14.626 0.014 1.00 1.19 H new ATOM 0 HD3 LYS A 27 1.470 14.381 1.093 1.00 1.19 H new ATOM 0 HE2 LYS A 27 2.004 16.542 2.258 1.00 1.78 H new ATOM 0 HE3 LYS A 27 3.364 16.787 1.181 1.00 1.78 H new ATOM 0 HZ1 LYS A 27 1.402 17.971 0.400 1.00 2.20 H new ATOM 0 HZ2 LYS A 27 1.832 16.763 -0.713 1.00 2.20 H new ATOM 0 HZ3 LYS A 27 0.515 16.525 0.332 1.00 2.20 H new ATOM 426 N THR A 28 4.479 12.175 4.200 1.00 0.25 N ATOM 427 CA THR A 28 4.642 11.605 5.561 1.00 0.27 C ATOM 428 C THR A 28 4.881 10.101 5.403 1.00 0.25 C ATOM 429 O THR A 28 5.436 9.452 6.267 1.00 0.29 O ATOM 430 CB THR A 28 3.376 11.883 6.392 1.00 0.30 C ATOM 431 OG1 THR A 28 3.581 13.053 7.172 1.00 0.37 O ATOM 432 CG2 THR A 28 3.067 10.703 7.324 1.00 0.34 C ATOM 0 H THR A 28 3.633 12.723 4.045 1.00 0.25 H new ATOM 0 HA THR A 28 5.485 12.059 6.083 1.00 0.27 H new ATOM 0 HB THR A 28 2.534 12.022 5.714 1.00 0.30 H new ATOM 0 HG1 THR A 28 3.060 12.990 8.000 1.00 0.37 H new ATOM 0 HG21 THR A 28 2.169 10.921 7.902 1.00 0.34 H new ATOM 0 HG22 THR A 28 2.907 9.803 6.731 1.00 0.34 H new ATOM 0 HG23 THR A 28 3.905 10.546 8.003 1.00 0.34 H new ATOM 440 N GLY A 29 4.468 9.550 4.293 1.00 0.25 N ATOM 441 CA GLY A 29 4.673 8.097 4.061 1.00 0.25 C ATOM 442 C GLY A 29 4.995 7.853 2.579 1.00 0.26 C ATOM 443 O GLY A 29 4.906 8.752 1.766 1.00 0.29 O ATOM 0 H GLY A 29 3.997 10.047 3.537 1.00 0.25 H new ATOM 0 HA2 GLY A 29 5.487 7.730 4.686 1.00 0.25 H new ATOM 0 HA3 GLY A 29 3.778 7.543 4.345 1.00 0.25 H new ATOM 447 N PRO A 30 5.380 6.637 2.288 1.00 0.25 N ATOM 448 CA PRO A 30 5.754 6.214 0.920 1.00 0.25 C ATOM 449 C PRO A 30 4.531 6.112 0.002 1.00 0.26 C ATOM 450 O PRO A 30 3.509 5.584 0.378 1.00 0.32 O ATOM 451 CB PRO A 30 6.365 4.822 1.110 1.00 0.27 C ATOM 452 CG PRO A 30 6.146 4.408 2.588 1.00 0.26 C ATOM 453 CD PRO A 30 5.483 5.583 3.309 1.00 0.26 C ATOM 0 HA PRO A 30 6.431 6.930 0.453 1.00 0.25 H new ATOM 0 HB2 PRO A 30 5.896 4.103 0.438 1.00 0.27 H new ATOM 0 HB3 PRO A 30 7.428 4.835 0.870 1.00 0.27 H new ATOM 0 HG2 PRO A 30 5.517 3.520 2.647 1.00 0.26 H new ATOM 0 HG3 PRO A 30 7.096 4.158 3.059 1.00 0.26 H new ATOM 0 HD2 PRO A 30 4.501 5.308 3.695 1.00 0.26 H new ATOM 0 HD3 PRO A 30 6.079 5.913 4.160 1.00 0.26 H new ATOM 461 N ASN A 31 4.640 6.595 -1.209 1.00 0.25 N ATOM 462 CA ASN A 31 3.495 6.507 -2.162 1.00 0.27 C ATOM 463 C ASN A 31 3.303 5.061 -2.614 1.00 0.28 C ATOM 464 O ASN A 31 3.933 4.153 -2.111 1.00 0.30 O ATOM 465 CB ASN A 31 3.768 7.372 -3.390 1.00 0.30 C ATOM 466 CG ASN A 31 5.066 6.924 -4.068 1.00 0.55 C ATOM 467 OD1 ASN A 31 6.027 6.577 -3.411 1.00 1.29 O ATOM 468 ND2 ASN A 31 5.134 6.913 -5.370 1.00 1.28 N ATOM 0 H ASN A 31 5.476 7.048 -1.579 1.00 0.25 H new ATOM 0 HA ASN A 31 2.596 6.859 -1.656 1.00 0.27 H new ATOM 0 HB2 ASN A 31 2.937 7.296 -4.091 1.00 0.30 H new ATOM 0 HB3 ASN A 31 3.843 8.419 -3.098 1.00 0.30 H new ATOM 0 HD21 ASN A 31 5.992 6.614 -5.833 1.00 1.28 H new ATOM 0 HD22 ASN A 31 4.329 7.204 -5.925 1.00 1.28 H new ATOM 475 N LEU A 32 2.434 4.840 -3.565 1.00 0.31 N ATOM 476 CA LEU A 32 2.203 3.450 -4.047 1.00 0.34 C ATOM 477 C LEU A 32 2.649 3.327 -5.508 1.00 0.33 C ATOM 478 O LEU A 32 1.986 2.704 -6.314 1.00 0.49 O ATOM 479 CB LEU A 32 0.706 3.111 -3.956 1.00 0.52 C ATOM 480 CG LEU A 32 0.368 2.367 -2.649 1.00 0.86 C ATOM 481 CD1 LEU A 32 1.500 1.418 -2.246 1.00 1.71 C ATOM 482 CD2 LEU A 32 0.138 3.379 -1.535 1.00 1.52 C ATOM 0 H LEU A 32 1.877 5.560 -4.026 1.00 0.31 H new ATOM 0 HA LEU A 32 2.777 2.762 -3.426 1.00 0.34 H new ATOM 0 HB2 LEU A 32 0.121 4.029 -4.014 1.00 0.52 H new ATOM 0 HB3 LEU A 32 0.420 2.496 -4.809 1.00 0.52 H new ATOM 0 HG LEU A 32 -0.534 1.778 -2.813 1.00 0.86 H new ATOM 0 HD11 LEU A 32 1.234 0.907 -1.321 1.00 1.71 H new ATOM 0 HD12 LEU A 32 1.656 0.682 -3.035 1.00 1.71 H new ATOM 0 HD13 LEU A 32 2.417 1.988 -2.095 1.00 1.71 H new ATOM 0 HD21 LEU A 32 -0.101 2.854 -0.610 1.00 1.52 H new ATOM 0 HD22 LEU A 32 1.040 3.974 -1.392 1.00 1.52 H new ATOM 0 HD23 LEU A 32 -0.690 4.035 -1.804 1.00 1.52 H new ATOM 494 N HIS A 33 3.769 3.901 -5.860 1.00 0.34 N ATOM 495 CA HIS A 33 4.239 3.794 -7.273 1.00 0.44 C ATOM 496 C HIS A 33 4.859 2.413 -7.504 1.00 0.44 C ATOM 497 O HIS A 33 5.366 2.116 -8.567 1.00 0.63 O ATOM 498 CB HIS A 33 5.278 4.881 -7.560 1.00 0.57 C ATOM 499 CG HIS A 33 5.588 4.911 -9.033 1.00 0.89 C ATOM 500 ND1 HIS A 33 6.498 5.802 -9.577 1.00 1.73 N ATOM 501 CD2 HIS A 33 5.117 4.166 -10.086 1.00 1.44 C ATOM 502 CE1 HIS A 33 6.547 5.575 -10.903 1.00 1.91 C ATOM 503 NE2 HIS A 33 5.724 4.587 -11.266 1.00 1.66 N ATOM 0 H HIS A 33 4.374 4.435 -5.237 1.00 0.34 H new ATOM 0 HA HIS A 33 3.390 3.927 -7.944 1.00 0.44 H new ATOM 0 HB2 HIS A 33 4.901 5.852 -7.238 1.00 0.57 H new ATOM 0 HB3 HIS A 33 6.187 4.688 -6.991 1.00 0.57 H new ATOM 0 HD2 HIS A 33 4.387 3.374 -10.010 1.00 1.44 H new ATOM 0 HE1 HIS A 33 7.175 6.124 -11.589 1.00 1.91 H new ATOM 0 HE2 HIS A 33 5.573 4.220 -12.206 1.00 1.66 H new ATOM 511 N GLY A 34 4.811 1.565 -6.518 1.00 0.35 N ATOM 512 CA GLY A 34 5.381 0.199 -6.672 1.00 0.38 C ATOM 513 C GLY A 34 4.242 -0.819 -6.625 1.00 0.28 C ATOM 514 O GLY A 34 4.409 -1.972 -6.970 1.00 0.28 O ATOM 0 H GLY A 34 4.399 1.760 -5.606 1.00 0.35 H new ATOM 0 HA2 GLY A 34 5.920 0.119 -7.616 1.00 0.38 H new ATOM 0 HA3 GLY A 34 6.099 -0.002 -5.877 1.00 0.38 H new ATOM 518 N LEU A 35 3.080 -0.397 -6.202 1.00 0.26 N ATOM 519 CA LEU A 35 1.925 -1.334 -6.134 1.00 0.22 C ATOM 520 C LEU A 35 1.818 -2.112 -7.444 1.00 0.28 C ATOM 521 O LEU A 35 2.547 -1.862 -8.381 1.00 0.69 O ATOM 522 CB LEU A 35 0.626 -0.540 -5.940 1.00 0.25 C ATOM 523 CG LEU A 35 0.254 -0.344 -4.453 1.00 0.60 C ATOM 524 CD1 LEU A 35 -1.212 -0.706 -4.272 1.00 0.42 C ATOM 525 CD2 LEU A 35 1.088 -1.215 -3.511 1.00 0.23 C ATOM 0 H LEU A 35 2.882 0.557 -5.901 1.00 0.26 H new ATOM 0 HA LEU A 35 2.076 -2.019 -5.299 1.00 0.22 H new ATOM 0 HB2 LEU A 35 0.729 0.436 -6.415 1.00 0.25 H new ATOM 0 HB3 LEU A 35 -0.188 -1.057 -6.447 1.00 0.25 H new ATOM 0 HG LEU A 35 0.453 0.697 -4.199 1.00 0.60 H new ATOM 0 HD11 LEU A 35 -1.493 -0.574 -3.227 1.00 0.42 H new ATOM 0 HD12 LEU A 35 -1.827 -0.059 -4.898 1.00 0.42 H new ATOM 0 HD13 LEU A 35 -1.369 -1.745 -4.561 1.00 0.42 H new ATOM 0 HD21 LEU A 35 0.781 -1.034 -2.481 1.00 0.23 H new ATOM 0 HD22 LEU A 35 0.934 -2.266 -3.756 1.00 0.23 H new ATOM 0 HD23 LEU A 35 2.143 -0.967 -3.625 1.00 0.23 H new ATOM 537 N PHE A 36 0.889 -3.038 -7.486 1.00 0.31 N ATOM 538 CA PHE A 36 0.630 -3.886 -8.702 1.00 0.29 C ATOM 539 C PHE A 36 1.533 -3.492 -9.875 1.00 0.33 C ATOM 540 O PHE A 36 1.082 -2.910 -10.842 1.00 0.36 O ATOM 541 CB PHE A 36 -0.836 -3.712 -9.133 1.00 0.26 C ATOM 542 CG PHE A 36 -1.633 -3.058 -8.025 1.00 0.28 C ATOM 543 CD1 PHE A 36 -2.235 -3.841 -7.034 1.00 1.25 C ATOM 544 CD2 PHE A 36 -1.769 -1.669 -7.994 1.00 1.22 C ATOM 545 CE1 PHE A 36 -2.973 -3.229 -6.014 1.00 1.28 C ATOM 546 CE2 PHE A 36 -2.510 -1.057 -6.974 1.00 1.26 C ATOM 547 CZ PHE A 36 -3.112 -1.842 -5.985 1.00 0.51 C ATOM 0 H PHE A 36 0.276 -3.250 -6.699 1.00 0.31 H new ATOM 0 HA PHE A 36 0.843 -4.922 -8.438 1.00 0.29 H new ATOM 0 HB2 PHE A 36 -0.887 -3.103 -10.036 1.00 0.26 H new ATOM 0 HB3 PHE A 36 -1.268 -4.682 -9.378 1.00 0.26 H new ATOM 0 HD1 PHE A 36 -2.130 -4.916 -7.056 1.00 1.25 H new ATOM 0 HD2 PHE A 36 -1.302 -1.065 -8.758 1.00 1.22 H new ATOM 0 HE1 PHE A 36 -3.436 -3.833 -5.248 1.00 1.28 H new ATOM 0 HE2 PHE A 36 -2.616 0.018 -6.952 1.00 1.26 H new ATOM 0 HZ PHE A 36 -3.685 -1.373 -5.198 1.00 0.51 H new ATOM 557 N GLY A 37 2.801 -3.800 -9.808 1.00 0.52 N ATOM 558 CA GLY A 37 3.702 -3.427 -10.937 1.00 0.61 C ATOM 559 C GLY A 37 4.934 -4.339 -10.984 1.00 0.71 C ATOM 560 O GLY A 37 5.878 -4.064 -11.696 1.00 1.41 O ATOM 0 H GLY A 37 3.247 -4.287 -9.031 1.00 0.52 H new ATOM 0 HA2 GLY A 37 3.158 -3.497 -11.879 1.00 0.61 H new ATOM 0 HA3 GLY A 37 4.018 -2.389 -10.827 1.00 0.61 H new ATOM 564 N ARG A 38 4.931 -5.420 -10.245 1.00 0.52 N ATOM 565 CA ARG A 38 6.102 -6.351 -10.259 1.00 0.57 C ATOM 566 C ARG A 38 7.209 -5.827 -9.336 1.00 0.52 C ATOM 567 O ARG A 38 7.818 -6.580 -8.602 1.00 0.64 O ATOM 568 CB ARG A 38 6.646 -6.481 -11.685 1.00 0.64 C ATOM 569 CG ARG A 38 7.492 -7.751 -11.795 1.00 1.31 C ATOM 570 CD ARG A 38 8.155 -7.802 -13.174 1.00 1.74 C ATOM 571 NE ARG A 38 9.581 -8.208 -13.026 1.00 2.26 N ATOM 572 CZ ARG A 38 9.909 -9.470 -13.082 1.00 2.82 C ATOM 573 NH1 ARG A 38 9.957 -10.081 -14.234 1.00 3.42 N ATOM 574 NH2 ARG A 38 10.190 -10.121 -11.986 1.00 3.36 N ATOM 0 H ARG A 38 4.166 -5.699 -9.631 1.00 0.52 H new ATOM 0 HA ARG A 38 5.775 -7.328 -9.904 1.00 0.57 H new ATOM 0 HB2 ARG A 38 5.822 -6.517 -12.398 1.00 0.64 H new ATOM 0 HB3 ARG A 38 7.248 -5.608 -11.937 1.00 0.64 H new ATOM 0 HG2 ARG A 38 8.252 -7.764 -11.013 1.00 1.31 H new ATOM 0 HG3 ARG A 38 6.867 -8.632 -11.647 1.00 1.31 H new ATOM 0 HD2 ARG A 38 7.629 -8.509 -13.816 1.00 1.74 H new ATOM 0 HD3 ARG A 38 8.092 -6.826 -13.656 1.00 1.74 H new ATOM 0 HE ARG A 38 10.301 -7.500 -12.881 1.00 2.26 H new ATOM 0 HH11 ARG A 38 9.738 -9.572 -15.091 1.00 3.42 H new ATOM 0 HH12 ARG A 38 10.213 -11.067 -14.278 1.00 3.42 H new ATOM 0 HH21 ARG A 38 10.153 -9.643 -11.085 1.00 3.36 H new ATOM 0 HH22 ARG A 38 10.446 -11.107 -12.030 1.00 3.36 H new ATOM 588 N LYS A 39 7.483 -4.549 -9.363 1.00 0.42 N ATOM 589 CA LYS A 39 8.557 -4.003 -8.485 1.00 0.50 C ATOM 590 C LYS A 39 7.939 -3.470 -7.190 1.00 0.51 C ATOM 591 O LYS A 39 6.956 -2.756 -7.203 1.00 0.85 O ATOM 592 CB LYS A 39 9.290 -2.873 -9.211 1.00 0.56 C ATOM 593 CG LYS A 39 10.625 -3.398 -9.745 1.00 1.31 C ATOM 594 CD LYS A 39 11.408 -2.253 -10.390 1.00 1.72 C ATOM 595 CE LYS A 39 12.719 -2.793 -10.967 1.00 2.52 C ATOM 596 NZ LYS A 39 13.105 -1.991 -12.162 1.00 3.10 N ATOM 0 H LYS A 39 7.011 -3.863 -9.953 1.00 0.42 H new ATOM 0 HA LYS A 39 9.266 -4.795 -8.246 1.00 0.50 H new ATOM 0 HB2 LYS A 39 8.680 -2.496 -10.032 1.00 0.56 H new ATOM 0 HB3 LYS A 39 9.460 -2.038 -8.531 1.00 0.56 H new ATOM 0 HG2 LYS A 39 11.205 -3.836 -8.933 1.00 1.31 H new ATOM 0 HG3 LYS A 39 10.450 -4.188 -10.475 1.00 1.31 H new ATOM 0 HD2 LYS A 39 10.814 -1.791 -11.179 1.00 1.72 H new ATOM 0 HD3 LYS A 39 11.615 -1.478 -9.652 1.00 1.72 H new ATOM 0 HE2 LYS A 39 13.506 -2.746 -10.215 1.00 2.52 H new ATOM 0 HE3 LYS A 39 12.603 -3.841 -11.242 1.00 2.52 H new ATOM 0 HZ1 LYS A 39 13.996 -2.358 -12.554 1.00 3.10 H new ATOM 0 HZ2 LYS A 39 12.357 -2.058 -12.881 1.00 3.10 H new ATOM 0 HZ3 LYS A 39 13.232 -0.996 -11.886 1.00 3.10 H new ATOM 610 N THR A 40 8.508 -3.823 -6.071 1.00 0.25 N ATOM 611 CA THR A 40 7.962 -3.355 -4.764 1.00 0.24 C ATOM 612 C THR A 40 8.804 -2.183 -4.288 1.00 0.26 C ATOM 613 O THR A 40 8.318 -1.082 -4.151 1.00 0.36 O ATOM 614 CB THR A 40 8.008 -4.502 -3.741 1.00 0.22 C ATOM 615 OG1 THR A 40 9.253 -4.495 -3.043 1.00 0.22 O ATOM 616 CG2 THR A 40 7.819 -5.831 -4.482 1.00 0.32 C ATOM 0 H THR A 40 9.333 -4.419 -6.004 1.00 0.25 H new ATOM 0 HA THR A 40 6.925 -3.040 -4.876 1.00 0.24 H new ATOM 0 HB THR A 40 7.210 -4.373 -3.009 1.00 0.22 H new ATOM 0 HG1 THR A 40 9.106 -4.220 -2.114 1.00 0.22 H new ATOM 0 HG21 THR A 40 7.850 -6.654 -3.767 1.00 0.32 H new ATOM 0 HG22 THR A 40 6.856 -5.829 -4.992 1.00 0.32 H new ATOM 0 HG23 THR A 40 8.617 -5.956 -5.214 1.00 0.32 H new ATOM 624 N GLY A 41 10.069 -2.403 -4.053 1.00 0.24 N ATOM 625 CA GLY A 41 10.941 -1.277 -3.608 1.00 0.33 C ATOM 626 C GLY A 41 11.048 -0.245 -4.743 1.00 0.44 C ATOM 627 O GLY A 41 11.976 -0.266 -5.527 1.00 1.21 O ATOM 0 H GLY A 41 10.534 -3.306 -4.149 1.00 0.24 H new ATOM 0 HA2 GLY A 41 10.527 -0.811 -2.714 1.00 0.33 H new ATOM 0 HA3 GLY A 41 11.931 -1.649 -3.344 1.00 0.33 H new ATOM 631 N GLN A 42 10.098 0.652 -4.842 1.00 0.53 N ATOM 632 CA GLN A 42 10.137 1.678 -5.933 1.00 0.40 C ATOM 633 C GLN A 42 11.464 2.447 -5.884 1.00 0.36 C ATOM 634 O GLN A 42 12.481 1.965 -6.338 1.00 0.61 O ATOM 635 CB GLN A 42 8.964 2.662 -5.787 1.00 0.49 C ATOM 636 CG GLN A 42 8.557 2.810 -4.317 1.00 0.57 C ATOM 637 CD GLN A 42 7.187 2.163 -4.103 1.00 0.99 C ATOM 638 OE1 GLN A 42 6.239 2.482 -4.791 1.00 1.81 O ATOM 639 NE2 GLN A 42 7.041 1.263 -3.169 1.00 1.51 N ATOM 0 H GLN A 42 9.296 0.719 -4.215 1.00 0.53 H new ATOM 0 HA GLN A 42 10.052 1.167 -6.892 1.00 0.40 H new ATOM 0 HB2 GLN A 42 9.247 3.634 -6.190 1.00 0.49 H new ATOM 0 HB3 GLN A 42 8.113 2.310 -6.371 1.00 0.49 H new ATOM 0 HG2 GLN A 42 9.299 2.338 -3.673 1.00 0.57 H new ATOM 0 HG3 GLN A 42 8.521 3.864 -4.042 1.00 0.57 H new ATOM 0 HE21 GLN A 42 7.837 0.994 -2.591 1.00 1.51 H new ATOM 0 HE22 GLN A 42 6.131 0.828 -3.018 1.00 1.51 H new ATOM 648 N ALA A 43 11.462 3.637 -5.338 1.00 0.36 N ATOM 649 CA ALA A 43 12.723 4.428 -5.254 1.00 0.33 C ATOM 650 C ALA A 43 13.227 4.392 -3.808 1.00 0.31 C ATOM 651 O ALA A 43 12.864 5.233 -3.016 1.00 0.30 O ATOM 652 CB ALA A 43 12.445 5.877 -5.662 1.00 0.40 C ATOM 0 H ALA A 43 10.638 4.094 -4.946 1.00 0.36 H new ATOM 0 HA ALA A 43 13.474 4.006 -5.922 1.00 0.33 H new ATOM 0 HB1 ALA A 43 13.367 6.456 -5.601 1.00 0.40 H new ATOM 0 HB2 ALA A 43 12.069 5.901 -6.685 1.00 0.40 H new ATOM 0 HB3 ALA A 43 11.701 6.307 -4.992 1.00 0.40 H new ATOM 658 N PRO A 44 14.028 3.399 -3.502 1.00 0.33 N ATOM 659 CA PRO A 44 14.579 3.205 -2.147 1.00 0.34 C ATOM 660 C PRO A 44 15.165 4.502 -1.580 1.00 0.37 C ATOM 661 O PRO A 44 15.353 4.631 -0.387 1.00 0.43 O ATOM 662 CB PRO A 44 15.663 2.132 -2.321 1.00 0.40 C ATOM 663 CG PRO A 44 15.612 1.651 -3.792 1.00 0.42 C ATOM 664 CD PRO A 44 14.459 2.393 -4.482 1.00 0.37 C ATOM 0 HA PRO A 44 13.810 2.905 -1.435 1.00 0.34 H new ATOM 0 HB2 PRO A 44 16.646 2.539 -2.085 1.00 0.40 H new ATOM 0 HB3 PRO A 44 15.491 1.299 -1.639 1.00 0.40 H new ATOM 0 HG2 PRO A 44 16.556 1.858 -4.296 1.00 0.42 H new ATOM 0 HG3 PRO A 44 15.456 0.573 -3.837 1.00 0.42 H new ATOM 0 HD2 PRO A 44 14.787 2.859 -5.411 1.00 0.37 H new ATOM 0 HD3 PRO A 44 13.646 1.713 -4.736 1.00 0.37 H new ATOM 672 N GLY A 45 15.443 5.470 -2.408 1.00 0.38 N ATOM 673 CA GLY A 45 15.998 6.749 -1.881 1.00 0.43 C ATOM 674 C GLY A 45 15.105 7.252 -0.741 1.00 0.39 C ATOM 675 O GLY A 45 15.516 8.051 0.077 1.00 0.46 O ATOM 0 H GLY A 45 15.312 5.433 -3.419 1.00 0.38 H new ATOM 0 HA2 GLY A 45 17.016 6.597 -1.522 1.00 0.43 H new ATOM 0 HA3 GLY A 45 16.048 7.493 -2.676 1.00 0.43 H new ATOM 679 N PHE A 46 13.883 6.790 -0.683 1.00 0.31 N ATOM 680 CA PHE A 46 12.959 7.236 0.395 1.00 0.30 C ATOM 681 C PHE A 46 13.496 6.777 1.760 1.00 0.29 C ATOM 682 O PHE A 46 14.483 7.295 2.243 1.00 0.32 O ATOM 683 CB PHE A 46 11.569 6.641 0.148 1.00 0.29 C ATOM 684 CG PHE A 46 10.626 7.040 1.265 1.00 0.33 C ATOM 685 CD1 PHE A 46 11.001 8.015 2.201 1.00 0.84 C ATOM 686 CD2 PHE A 46 9.375 6.422 1.367 1.00 0.51 C ATOM 687 CE1 PHE A 46 10.124 8.368 3.234 1.00 0.87 C ATOM 688 CE2 PHE A 46 8.501 6.776 2.401 1.00 0.53 C ATOM 689 CZ PHE A 46 8.875 7.748 3.334 1.00 0.43 C ATOM 0 H PHE A 46 13.486 6.119 -1.341 1.00 0.31 H new ATOM 0 HA PHE A 46 12.890 8.324 0.392 1.00 0.30 H new ATOM 0 HB2 PHE A 46 11.180 6.990 -0.809 1.00 0.29 H new ATOM 0 HB3 PHE A 46 11.635 5.555 0.088 1.00 0.29 H new ATOM 0 HD1 PHE A 46 11.966 8.494 2.125 1.00 0.84 H new ATOM 0 HD2 PHE A 46 9.084 5.671 0.647 1.00 0.51 H new ATOM 0 HE1 PHE A 46 10.413 9.120 3.954 1.00 0.87 H new ATOM 0 HE2 PHE A 46 7.536 6.298 2.478 1.00 0.53 H new ATOM 0 HZ PHE A 46 8.199 8.020 4.132 1.00 0.43 H new ATOM 699 N THR A 47 12.859 5.822 2.397 1.00 0.26 N ATOM 700 CA THR A 47 13.354 5.370 3.726 1.00 0.27 C ATOM 701 C THR A 47 13.007 3.890 3.952 1.00 0.26 C ATOM 702 O THR A 47 13.000 3.417 5.071 1.00 0.36 O ATOM 703 CB THR A 47 12.703 6.233 4.816 1.00 0.30 C ATOM 704 OG1 THR A 47 13.487 6.170 5.999 1.00 0.42 O ATOM 705 CG2 THR A 47 11.288 5.728 5.113 1.00 0.41 C ATOM 0 H THR A 47 12.026 5.343 2.054 1.00 0.26 H new ATOM 0 HA THR A 47 14.438 5.477 3.765 1.00 0.27 H new ATOM 0 HB THR A 47 12.646 7.264 4.467 1.00 0.30 H new ATOM 0 HG1 THR A 47 13.673 5.233 6.219 1.00 0.42 H new ATOM 0 HG21 THR A 47 10.836 6.347 5.888 1.00 0.41 H new ATOM 0 HG22 THR A 47 10.685 5.782 4.207 1.00 0.41 H new ATOM 0 HG23 THR A 47 11.335 4.695 5.456 1.00 0.41 H new ATOM 713 N TYR A 48 12.709 3.157 2.911 1.00 0.28 N ATOM 714 CA TYR A 48 12.354 1.717 3.100 1.00 0.28 C ATOM 715 C TYR A 48 13.325 1.072 4.079 1.00 0.28 C ATOM 716 O TYR A 48 14.432 1.535 4.270 1.00 0.35 O ATOM 717 CB TYR A 48 12.427 0.972 1.764 1.00 0.29 C ATOM 718 CG TYR A 48 11.350 1.487 0.827 1.00 0.33 C ATOM 719 CD1 TYR A 48 10.509 2.537 1.225 1.00 1.08 C ATOM 720 CD2 TYR A 48 11.182 0.905 -0.436 1.00 1.16 C ATOM 721 CE1 TYR A 48 9.509 2.999 0.364 1.00 1.09 C ATOM 722 CE2 TYR A 48 10.182 1.371 -1.296 1.00 1.19 C ATOM 723 CZ TYR A 48 9.345 2.417 -0.896 1.00 0.46 C ATOM 724 OH TYR A 48 8.357 2.874 -1.744 1.00 0.54 O ATOM 0 H TYR A 48 12.696 3.488 1.946 1.00 0.28 H new ATOM 0 HA TYR A 48 11.338 1.659 3.491 1.00 0.28 H new ATOM 0 HB2 TYR A 48 13.410 1.110 1.314 1.00 0.29 H new ATOM 0 HB3 TYR A 48 12.299 -0.098 1.927 1.00 0.29 H new ATOM 0 HD1 TYR A 48 10.634 2.989 2.198 1.00 1.08 H new ATOM 0 HD2 TYR A 48 11.826 0.095 -0.746 1.00 1.16 H new ATOM 0 HE1 TYR A 48 8.862 3.807 0.673 1.00 1.09 H new ATOM 0 HE2 TYR A 48 10.056 0.922 -2.270 1.00 1.19 H new ATOM 0 HH TYR A 48 8.196 3.826 -1.575 1.00 0.54 H new ATOM 734 N THR A 49 12.928 -0.007 4.689 1.00 0.27 N ATOM 735 CA THR A 49 13.844 -0.687 5.638 1.00 0.28 C ATOM 736 C THR A 49 14.850 -1.494 4.823 1.00 0.27 C ATOM 737 O THR A 49 15.099 -1.202 3.674 1.00 0.26 O ATOM 738 CB THR A 49 13.038 -1.624 6.544 1.00 0.32 C ATOM 739 OG1 THR A 49 13.823 -1.980 7.673 1.00 0.91 O ATOM 740 CG2 THR A 49 12.648 -2.886 5.766 1.00 0.87 C ATOM 0 H THR A 49 12.014 -0.444 4.572 1.00 0.27 H new ATOM 0 HA THR A 49 14.361 0.043 6.261 1.00 0.28 H new ATOM 0 HB THR A 49 12.133 -1.116 6.878 1.00 0.32 H new ATOM 0 HG1 THR A 49 13.328 -2.619 8.227 1.00 0.91 H new ATOM 0 HG21 THR A 49 12.075 -3.550 6.413 1.00 0.87 H new ATOM 0 HG22 THR A 49 12.042 -2.609 4.903 1.00 0.87 H new ATOM 0 HG23 THR A 49 13.549 -3.398 5.428 1.00 0.87 H new ATOM 748 N ASP A 50 15.412 -2.517 5.388 1.00 0.30 N ATOM 749 CA ASP A 50 16.371 -3.341 4.611 1.00 0.31 C ATOM 750 C ASP A 50 15.587 -4.452 3.915 1.00 0.30 C ATOM 751 O ASP A 50 15.878 -5.620 4.075 1.00 0.35 O ATOM 752 CB ASP A 50 17.411 -3.952 5.552 1.00 0.39 C ATOM 753 CG ASP A 50 18.653 -3.060 5.588 1.00 1.47 C ATOM 754 OD1 ASP A 50 18.494 -1.863 5.765 1.00 2.24 O ATOM 755 OD2 ASP A 50 19.742 -3.588 5.436 1.00 2.23 O ATOM 0 H ASP A 50 15.251 -2.819 6.349 1.00 0.30 H new ATOM 0 HA ASP A 50 16.888 -2.725 3.875 1.00 0.31 H new ATOM 0 HB2 ASP A 50 16.995 -4.054 6.554 1.00 0.39 H new ATOM 0 HB3 ASP A 50 17.679 -4.953 5.214 1.00 0.39 H new ATOM 760 N ALA A 51 14.578 -4.104 3.154 1.00 0.27 N ATOM 761 CA ALA A 51 13.778 -5.165 2.475 1.00 0.29 C ATOM 762 C ALA A 51 12.872 -4.547 1.411 1.00 0.28 C ATOM 763 O ALA A 51 12.947 -4.889 0.248 1.00 0.33 O ATOM 764 CB ALA A 51 12.912 -5.884 3.511 1.00 0.33 C ATOM 0 H ALA A 51 14.278 -3.145 2.976 1.00 0.27 H new ATOM 0 HA ALA A 51 14.459 -5.870 1.999 1.00 0.29 H new ATOM 0 HB1 ALA A 51 12.326 -6.660 3.019 1.00 0.33 H new ATOM 0 HB2 ALA A 51 13.552 -6.337 4.268 1.00 0.33 H new ATOM 0 HB3 ALA A 51 12.241 -5.167 3.985 1.00 0.33 H new ATOM 770 N ASN A 52 12.028 -3.627 1.789 1.00 0.28 N ATOM 771 CA ASN A 52 11.141 -2.992 0.778 1.00 0.33 C ATOM 772 C ASN A 52 12.027 -2.106 -0.075 1.00 0.33 C ATOM 773 O ASN A 52 11.818 -1.928 -1.259 1.00 0.48 O ATOM 774 CB ASN A 52 10.061 -2.159 1.472 1.00 0.43 C ATOM 775 CG ASN A 52 9.487 -1.127 0.498 1.00 0.97 C ATOM 776 OD1 ASN A 52 9.084 -0.054 0.900 1.00 1.66 O ATOM 777 ND2 ASN A 52 9.433 -1.409 -0.775 1.00 1.47 N ATOM 0 H ASN A 52 11.915 -3.291 2.745 1.00 0.28 H new ATOM 0 HA ASN A 52 10.634 -3.741 0.169 1.00 0.33 H new ATOM 0 HB2 ASN A 52 9.266 -2.810 1.835 1.00 0.43 H new ATOM 0 HB3 ASN A 52 10.482 -1.655 2.342 1.00 0.43 H new ATOM 0 HD21 ASN A 52 9.052 -0.728 -1.432 1.00 1.47 H new ATOM 0 HD22 ASN A 52 9.771 -2.310 -1.113 1.00 1.47 H new ATOM 784 N LYS A 53 13.039 -1.573 0.541 1.00 0.26 N ATOM 785 CA LYS A 53 14.005 -0.705 -0.188 1.00 0.36 C ATOM 786 C LYS A 53 14.284 -1.318 -1.556 1.00 0.35 C ATOM 787 O LYS A 53 13.955 -0.762 -2.585 1.00 0.35 O ATOM 788 CB LYS A 53 15.309 -0.644 0.608 1.00 0.48 C ATOM 789 CG LYS A 53 15.903 0.756 0.514 1.00 0.58 C ATOM 790 CD LYS A 53 16.558 1.125 1.846 1.00 0.87 C ATOM 791 CE LYS A 53 17.946 1.712 1.584 1.00 1.08 C ATOM 792 NZ LYS A 53 18.779 1.584 2.812 1.00 1.68 N ATOM 0 H LYS A 53 13.243 -1.702 1.532 1.00 0.26 H new ATOM 0 HA LYS A 53 13.594 0.297 -0.308 1.00 0.36 H new ATOM 0 HB2 LYS A 53 15.122 -0.901 1.651 1.00 0.48 H new ATOM 0 HB3 LYS A 53 16.017 -1.377 0.221 1.00 0.48 H new ATOM 0 HG2 LYS A 53 16.639 0.797 -0.289 1.00 0.58 H new ATOM 0 HG3 LYS A 53 15.123 1.477 0.268 1.00 0.58 H new ATOM 0 HD2 LYS A 53 15.940 1.847 2.380 1.00 0.87 H new ATOM 0 HD3 LYS A 53 16.638 0.243 2.481 1.00 0.87 H new ATOM 0 HE2 LYS A 53 18.422 1.191 0.753 1.00 1.08 H new ATOM 0 HE3 LYS A 53 17.861 2.760 1.297 1.00 1.08 H new ATOM 0 HZ1 LYS A 53 19.723 1.983 2.634 1.00 1.68 H new ATOM 0 HZ2 LYS A 53 18.327 2.100 3.594 1.00 1.68 H new ATOM 0 HZ3 LYS A 53 18.870 0.580 3.067 1.00 1.68 H new ATOM 806 N ASN A 54 14.881 -2.472 -1.562 1.00 0.42 N ATOM 807 CA ASN A 54 15.188 -3.161 -2.840 1.00 0.48 C ATOM 808 C ASN A 54 14.612 -4.573 -2.762 1.00 0.40 C ATOM 809 O ASN A 54 15.235 -5.544 -3.140 1.00 0.48 O ATOM 810 CB ASN A 54 16.701 -3.215 -3.017 1.00 0.60 C ATOM 811 CG ASN A 54 17.054 -4.094 -4.217 1.00 0.94 C ATOM 812 OD1 ASN A 54 17.708 -5.108 -4.071 1.00 1.60 O ATOM 813 ND2 ASN A 54 16.647 -3.748 -5.407 1.00 1.56 N ATOM 0 H ASN A 54 15.173 -2.974 -0.724 1.00 0.42 H new ATOM 0 HA ASN A 54 14.753 -2.633 -3.688 1.00 0.48 H new ATOM 0 HB2 ASN A 54 17.095 -2.209 -3.164 1.00 0.60 H new ATOM 0 HB3 ASN A 54 17.167 -3.612 -2.115 1.00 0.60 H new ATOM 0 HD21 ASN A 54 16.878 -4.328 -6.214 1.00 1.56 H new ATOM 0 HD22 ASN A 54 16.098 -2.897 -5.531 1.00 1.56 H new ATOM 820 N LYS A 55 13.423 -4.674 -2.240 1.00 0.31 N ATOM 821 CA LYS A 55 12.755 -5.999 -2.083 1.00 0.34 C ATOM 822 C LYS A 55 12.690 -6.740 -3.423 1.00 0.43 C ATOM 823 O LYS A 55 13.515 -6.559 -4.296 1.00 0.74 O ATOM 824 CB LYS A 55 11.335 -5.776 -1.550 1.00 0.38 C ATOM 825 CG LYS A 55 11.126 -6.607 -0.280 1.00 0.56 C ATOM 826 CD LYS A 55 10.177 -7.773 -0.570 1.00 1.10 C ATOM 827 CE LYS A 55 10.952 -9.091 -0.501 1.00 1.37 C ATOM 828 NZ LYS A 55 11.847 -9.079 0.691 1.00 1.55 N ATOM 0 H LYS A 55 12.874 -3.881 -1.909 1.00 0.31 H new ATOM 0 HA LYS A 55 13.331 -6.607 -1.385 1.00 0.34 H new ATOM 0 HB2 LYS A 55 11.178 -4.719 -1.335 1.00 0.38 H new ATOM 0 HB3 LYS A 55 10.603 -6.059 -2.307 1.00 0.38 H new ATOM 0 HG2 LYS A 55 12.083 -6.986 0.078 1.00 0.56 H new ATOM 0 HG3 LYS A 55 10.715 -5.980 0.511 1.00 0.56 H new ATOM 0 HD2 LYS A 55 9.361 -7.780 0.153 1.00 1.10 H new ATOM 0 HD3 LYS A 55 9.728 -7.654 -1.556 1.00 1.10 H new ATOM 0 HE2 LYS A 55 10.259 -9.930 -0.440 1.00 1.37 H new ATOM 0 HE3 LYS A 55 11.539 -9.228 -1.409 1.00 1.37 H new ATOM 0 HZ1 LYS A 55 11.932 -10.043 1.071 1.00 1.55 H new ATOM 0 HZ2 LYS A 55 12.787 -8.731 0.415 1.00 1.55 H new ATOM 0 HZ3 LYS A 55 11.446 -8.454 1.420 1.00 1.55 H new ATOM 842 N GLY A 56 11.710 -7.587 -3.578 1.00 0.26 N ATOM 843 CA GLY A 56 11.578 -8.367 -4.847 1.00 0.41 C ATOM 844 C GLY A 56 10.196 -9.045 -4.943 1.00 0.28 C ATOM 845 O GLY A 56 9.985 -9.909 -5.771 1.00 0.24 O ATOM 0 H GLY A 56 10.991 -7.775 -2.879 1.00 0.26 H new ATOM 0 HA2 GLY A 56 11.721 -7.705 -5.701 1.00 0.41 H new ATOM 0 HA3 GLY A 56 12.361 -9.123 -4.895 1.00 0.41 H new ATOM 849 N ILE A 57 9.250 -8.654 -4.128 1.00 0.28 N ATOM 850 CA ILE A 57 7.889 -9.267 -4.206 1.00 0.21 C ATOM 851 C ILE A 57 7.065 -8.439 -5.198 1.00 0.18 C ATOM 852 O ILE A 57 7.601 -7.812 -6.090 1.00 0.24 O ATOM 853 CB ILE A 57 7.202 -9.196 -2.828 1.00 0.24 C ATOM 854 CG1 ILE A 57 7.085 -7.724 -2.428 1.00 0.24 C ATOM 855 CG2 ILE A 57 8.001 -9.956 -1.778 1.00 0.36 C ATOM 856 CD1 ILE A 57 6.837 -7.576 -0.940 1.00 0.30 C ATOM 0 H ILE A 57 9.361 -7.937 -3.412 1.00 0.28 H new ATOM 0 HA ILE A 57 7.965 -10.308 -4.518 1.00 0.21 H new ATOM 0 HB ILE A 57 6.216 -9.656 -2.891 1.00 0.24 H new ATOM 0 HG12 ILE A 57 7.999 -7.197 -2.701 1.00 0.24 H new ATOM 0 HG13 ILE A 57 6.271 -7.258 -2.983 1.00 0.24 H new ATOM 0 HG21 ILE A 57 7.493 -9.889 -0.816 1.00 0.36 H new ATOM 0 HG22 ILE A 57 8.085 -11.002 -2.072 1.00 0.36 H new ATOM 0 HG23 ILE A 57 8.997 -9.521 -1.694 1.00 0.36 H new ATOM 0 HD11 ILE A 57 6.759 -6.519 -0.688 1.00 0.30 H new ATOM 0 HD12 ILE A 57 5.909 -8.082 -0.674 1.00 0.30 H new ATOM 0 HD13 ILE A 57 7.665 -8.021 -0.387 1.00 0.30 H new ATOM 868 N THR A 58 5.774 -8.404 -5.029 1.00 0.17 N ATOM 869 CA THR A 58 4.922 -7.587 -5.927 1.00 0.20 C ATOM 870 C THR A 58 3.831 -6.954 -5.077 1.00 0.18 C ATOM 871 O THR A 58 3.936 -6.904 -3.867 1.00 0.17 O ATOM 872 CB THR A 58 4.297 -8.461 -7.019 1.00 0.30 C ATOM 873 OG1 THR A 58 5.202 -9.499 -7.368 1.00 0.59 O ATOM 874 CG2 THR A 58 4.000 -7.602 -8.253 1.00 0.34 C ATOM 0 H THR A 58 5.271 -8.911 -4.301 1.00 0.17 H new ATOM 0 HA THR A 58 5.521 -6.820 -6.418 1.00 0.20 H new ATOM 0 HB THR A 58 3.369 -8.898 -6.650 1.00 0.30 H new ATOM 0 HG1 THR A 58 4.803 -10.060 -8.065 1.00 0.59 H new ATOM 0 HG21 THR A 58 3.555 -8.223 -9.030 1.00 0.34 H new ATOM 0 HG22 THR A 58 3.306 -6.806 -7.984 1.00 0.34 H new ATOM 0 HG23 THR A 58 4.927 -7.165 -8.624 1.00 0.34 H new ATOM 882 N TRP A 59 2.792 -6.457 -5.674 1.00 0.20 N ATOM 883 CA TRP A 59 1.739 -5.828 -4.845 1.00 0.19 C ATOM 884 C TRP A 59 0.344 -6.047 -5.422 1.00 0.20 C ATOM 885 O TRP A 59 -0.446 -5.135 -5.532 1.00 0.23 O ATOM 886 CB TRP A 59 2.031 -4.343 -4.706 1.00 0.22 C ATOM 887 CG TRP A 59 3.193 -4.193 -3.790 1.00 0.23 C ATOM 888 CD1 TRP A 59 4.305 -3.465 -4.034 1.00 0.25 C ATOM 889 CD2 TRP A 59 3.375 -4.801 -2.487 1.00 0.22 C ATOM 890 NE1 TRP A 59 5.162 -3.593 -2.955 1.00 0.24 N ATOM 891 CE2 TRP A 59 4.629 -4.413 -1.974 1.00 0.23 C ATOM 892 CE3 TRP A 59 2.572 -5.647 -1.709 1.00 0.23 C ATOM 893 CZ2 TRP A 59 5.068 -4.861 -0.728 1.00 0.24 C ATOM 894 CZ3 TRP A 59 3.010 -6.093 -0.459 1.00 0.25 C ATOM 895 CH2 TRP A 59 4.254 -5.704 0.027 1.00 0.26 C ATOM 0 H TRP A 59 2.627 -6.458 -6.681 1.00 0.20 H new ATOM 0 HA TRP A 59 1.752 -6.302 -3.863 1.00 0.19 H new ATOM 0 HB2 TRP A 59 2.252 -3.904 -5.679 1.00 0.22 H new ATOM 0 HB3 TRP A 59 1.162 -3.818 -4.310 1.00 0.22 H new ATOM 0 HD1 TRP A 59 4.493 -2.881 -4.923 1.00 0.25 H new ATOM 0 HE1 TRP A 59 6.073 -3.140 -2.890 1.00 0.24 H new ATOM 0 HE3 TRP A 59 1.606 -5.957 -2.079 1.00 0.23 H new ATOM 0 HZ2 TRP A 59 6.033 -4.556 -0.350 1.00 0.24 H new ATOM 0 HZ3 TRP A 59 2.380 -6.742 0.132 1.00 0.25 H new ATOM 0 HH2 TRP A 59 4.590 -6.056 0.991 1.00 0.26 H new ATOM 906 N LYS A 60 0.018 -7.262 -5.734 1.00 0.19 N ATOM 907 CA LYS A 60 -1.349 -7.560 -6.226 1.00 0.22 C ATOM 908 C LYS A 60 -2.188 -7.880 -4.988 1.00 0.21 C ATOM 909 O LYS A 60 -2.136 -7.163 -4.014 1.00 0.21 O ATOM 910 CB LYS A 60 -1.324 -8.756 -7.175 1.00 0.24 C ATOM 911 CG LYS A 60 -2.634 -8.812 -7.962 1.00 1.12 C ATOM 912 CD LYS A 60 -2.343 -8.599 -9.449 1.00 1.27 C ATOM 913 CE LYS A 60 -3.604 -8.896 -10.264 1.00 1.80 C ATOM 914 NZ LYS A 60 -3.227 -9.173 -11.679 1.00 2.30 N ATOM 0 H LYS A 60 0.641 -8.067 -5.670 1.00 0.19 H new ATOM 0 HA LYS A 60 -1.764 -6.717 -6.779 1.00 0.22 H new ATOM 0 HB2 LYS A 60 -0.480 -8.673 -7.859 1.00 0.24 H new ATOM 0 HB3 LYS A 60 -1.187 -9.678 -6.611 1.00 0.24 H new ATOM 0 HG2 LYS A 60 -3.122 -9.775 -7.810 1.00 1.12 H new ATOM 0 HG3 LYS A 60 -3.321 -8.046 -7.601 1.00 1.12 H new ATOM 0 HD2 LYS A 60 -2.018 -7.573 -9.623 1.00 1.27 H new ATOM 0 HD3 LYS A 60 -1.529 -9.250 -9.768 1.00 1.27 H new ATOM 0 HE2 LYS A 60 -4.129 -9.753 -9.842 1.00 1.80 H new ATOM 0 HE3 LYS A 60 -4.288 -8.048 -10.218 1.00 1.80 H new ATOM 0 HZ1 LYS A 60 -4.083 -9.375 -12.233 1.00 2.30 H new ATOM 0 HZ2 LYS A 60 -2.744 -8.343 -12.078 1.00 2.30 H new ATOM 0 HZ3 LYS A 60 -2.590 -9.995 -11.714 1.00 2.30 H new ATOM 928 N GLU A 61 -2.943 -8.941 -4.986 1.00 0.23 N ATOM 929 CA GLU A 61 -3.738 -9.248 -3.764 1.00 0.24 C ATOM 930 C GLU A 61 -2.866 -9.934 -2.700 1.00 0.22 C ATOM 931 O GLU A 61 -2.350 -9.298 -1.817 1.00 0.20 O ATOM 932 CB GLU A 61 -4.920 -10.143 -4.093 1.00 0.29 C ATOM 933 CG GLU A 61 -4.549 -11.139 -5.196 1.00 0.31 C ATOM 934 CD GLU A 61 -5.184 -12.497 -4.891 1.00 1.21 C ATOM 935 OE1 GLU A 61 -6.154 -12.521 -4.150 1.00 2.01 O ATOM 936 OE2 GLU A 61 -4.690 -13.488 -5.401 1.00 1.87 O ATOM 0 H GLU A 61 -3.045 -9.598 -5.760 1.00 0.23 H new ATOM 0 HA GLU A 61 -4.106 -8.301 -3.370 1.00 0.24 H new ATOM 0 HB2 GLU A 61 -5.235 -10.682 -3.200 1.00 0.29 H new ATOM 0 HB3 GLU A 61 -5.766 -9.535 -4.414 1.00 0.29 H new ATOM 0 HG2 GLU A 61 -4.895 -10.773 -6.163 1.00 0.31 H new ATOM 0 HG3 GLU A 61 -3.466 -11.239 -5.262 1.00 0.31 H new ATOM 943 N GLU A 62 -2.724 -11.236 -2.760 1.00 0.24 N ATOM 944 CA GLU A 62 -1.911 -11.958 -1.729 1.00 0.24 C ATOM 945 C GLU A 62 -0.753 -11.085 -1.247 1.00 0.21 C ATOM 946 O GLU A 62 -0.460 -11.022 -0.069 1.00 0.20 O ATOM 947 CB GLU A 62 -1.356 -13.254 -2.317 1.00 0.27 C ATOM 948 CG GLU A 62 -0.924 -14.174 -1.174 1.00 0.33 C ATOM 949 CD GLU A 62 -0.383 -15.485 -1.750 1.00 0.53 C ATOM 950 OE1 GLU A 62 -0.379 -15.620 -2.962 1.00 1.22 O ATOM 951 OE2 GLU A 62 0.018 -16.331 -0.968 1.00 1.25 O ATOM 0 H GLU A 62 -3.136 -11.831 -3.479 1.00 0.24 H new ATOM 0 HA GLU A 62 -2.558 -12.187 -0.882 1.00 0.24 H new ATOM 0 HB2 GLU A 62 -2.113 -13.744 -2.929 1.00 0.27 H new ATOM 0 HB3 GLU A 62 -0.509 -13.039 -2.968 1.00 0.27 H new ATOM 0 HG2 GLU A 62 -0.159 -13.687 -0.570 1.00 0.33 H new ATOM 0 HG3 GLU A 62 -1.769 -14.375 -0.516 1.00 0.33 H new ATOM 958 N THR A 63 -0.113 -10.385 -2.138 1.00 0.19 N ATOM 959 CA THR A 63 1.001 -9.505 -1.719 1.00 0.17 C ATOM 960 C THR A 63 0.406 -8.330 -0.964 1.00 0.16 C ATOM 961 O THR A 63 0.812 -8.029 0.139 1.00 0.17 O ATOM 962 CB THR A 63 1.767 -9.025 -2.953 1.00 0.18 C ATOM 963 OG1 THR A 63 0.949 -9.199 -4.095 1.00 0.45 O ATOM 964 CG2 THR A 63 3.035 -9.855 -3.117 1.00 0.57 C ATOM 0 H THR A 63 -0.316 -10.386 -3.138 1.00 0.19 H new ATOM 0 HA THR A 63 1.700 -10.040 -1.076 1.00 0.17 H new ATOM 0 HB THR A 63 2.031 -7.974 -2.838 1.00 0.18 H new ATOM 0 HG1 THR A 63 1.455 -9.667 -4.792 1.00 0.45 H new ATOM 0 HG21 THR A 63 3.582 -9.514 -3.996 1.00 0.57 H new ATOM 0 HG22 THR A 63 3.662 -9.740 -2.233 1.00 0.57 H new ATOM 0 HG23 THR A 63 2.769 -10.905 -3.240 1.00 0.57 H new ATOM 972 N LEU A 64 -0.584 -7.680 -1.514 1.00 0.17 N ATOM 973 CA LEU A 64 -1.187 -6.558 -0.756 1.00 0.18 C ATOM 974 C LEU A 64 -2.179 -7.135 0.246 1.00 0.19 C ATOM 975 O LEU A 64 -1.969 -7.053 1.439 1.00 0.20 O ATOM 976 CB LEU A 64 -1.887 -5.574 -1.690 1.00 0.19 C ATOM 977 CG LEU A 64 -0.838 -4.882 -2.560 1.00 0.23 C ATOM 978 CD1 LEU A 64 -1.529 -3.974 -3.571 1.00 0.25 C ATOM 979 CD2 LEU A 64 0.082 -4.040 -1.676 1.00 0.29 C ATOM 0 H LEU A 64 -0.989 -7.873 -2.430 1.00 0.17 H new ATOM 0 HA LEU A 64 -0.402 -6.009 -0.236 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -2.609 -6.098 -2.316 1.00 0.19 H new ATOM 0 HB3 LEU A 64 -2.443 -4.836 -1.112 1.00 0.19 H new ATOM 0 HG LEU A 64 -0.253 -5.636 -3.087 1.00 0.23 H new ATOM 0 HD11 LEU A 64 -0.779 -3.482 -4.190 1.00 0.25 H new ATOM 0 HD12 LEU A 64 -2.188 -4.569 -4.203 1.00 0.25 H new ATOM 0 HD13 LEU A 64 -2.115 -3.221 -3.043 1.00 0.25 H new ATOM 0 HD21 LEU A 64 0.830 -3.546 -2.296 1.00 0.29 H new ATOM 0 HD22 LEU A 64 -0.507 -3.288 -1.150 1.00 0.29 H new ATOM 0 HD23 LEU A 64 0.579 -4.684 -0.951 1.00 0.29 H new ATOM 991 N MET A 65 -3.247 -7.730 -0.240 1.00 0.21 N ATOM 992 CA MET A 65 -4.265 -8.356 0.657 1.00 0.24 C ATOM 993 C MET A 65 -3.587 -8.861 1.936 1.00 0.23 C ATOM 994 O MET A 65 -4.140 -8.779 3.015 1.00 0.24 O ATOM 995 CB MET A 65 -4.919 -9.536 -0.066 1.00 0.27 C ATOM 996 CG MET A 65 -6.372 -9.672 0.392 1.00 0.95 C ATOM 997 SD MET A 65 -7.294 -10.664 -0.810 1.00 1.58 S ATOM 998 CE MET A 65 -7.410 -12.172 0.184 1.00 1.85 C ATOM 0 H MET A 65 -3.455 -7.807 -1.236 1.00 0.21 H new ATOM 0 HA MET A 65 -5.022 -7.615 0.916 1.00 0.24 H new ATOM 0 HB2 MET A 65 -4.879 -9.383 -1.144 1.00 0.27 H new ATOM 0 HB3 MET A 65 -4.372 -10.455 0.146 1.00 0.27 H new ATOM 0 HG2 MET A 65 -6.412 -10.142 1.375 1.00 0.95 H new ATOM 0 HG3 MET A 65 -6.827 -8.686 0.491 1.00 0.95 H new ATOM 0 HE1 MET A 65 -7.952 -12.935 -0.374 1.00 1.85 H new ATOM 0 HE2 MET A 65 -6.408 -12.534 0.414 1.00 1.85 H new ATOM 0 HE3 MET A 65 -7.940 -11.956 1.112 1.00 1.85 H new ATOM 1008 N GLU A 66 -2.374 -9.349 1.831 1.00 0.21 N ATOM 1009 CA GLU A 66 -1.657 -9.812 3.043 1.00 0.21 C ATOM 1010 C GLU A 66 -1.156 -8.572 3.780 1.00 0.19 C ATOM 1011 O GLU A 66 -1.577 -8.266 4.877 1.00 0.20 O ATOM 1012 CB GLU A 66 -0.465 -10.675 2.631 1.00 0.21 C ATOM 1013 CG GLU A 66 -0.956 -12.065 2.223 1.00 0.25 C ATOM 1014 CD GLU A 66 -1.221 -12.900 3.478 1.00 0.76 C ATOM 1015 OE1 GLU A 66 -2.230 -12.663 4.121 1.00 1.39 O ATOM 1016 OE2 GLU A 66 -0.411 -13.763 3.773 1.00 1.56 O ATOM 0 H GLU A 66 -1.857 -9.443 0.957 1.00 0.21 H new ATOM 0 HA GLU A 66 -2.315 -10.402 3.680 1.00 0.21 H new ATOM 0 HB2 GLU A 66 0.066 -10.208 1.802 1.00 0.21 H new ATOM 0 HB3 GLU A 66 0.242 -10.756 3.457 1.00 0.21 H new ATOM 0 HG2 GLU A 66 -1.867 -11.981 1.630 1.00 0.25 H new ATOM 0 HG3 GLU A 66 -0.211 -12.556 1.597 1.00 0.25 H new ATOM 1023 N TYR A 67 -0.272 -7.841 3.157 1.00 0.19 N ATOM 1024 CA TYR A 67 0.261 -6.601 3.774 1.00 0.18 C ATOM 1025 C TYR A 67 -0.865 -5.835 4.470 1.00 0.20 C ATOM 1026 O TYR A 67 -0.882 -5.696 5.677 1.00 0.22 O ATOM 1027 CB TYR A 67 0.837 -5.737 2.655 1.00 0.19 C ATOM 1028 CG TYR A 67 1.687 -4.623 3.226 1.00 0.20 C ATOM 1029 CD1 TYR A 67 1.166 -3.723 4.167 1.00 0.24 C ATOM 1030 CD2 TYR A 67 3.010 -4.498 2.809 1.00 0.20 C ATOM 1031 CE1 TYR A 67 1.979 -2.706 4.686 1.00 0.28 C ATOM 1032 CE2 TYR A 67 3.820 -3.489 3.328 1.00 0.23 C ATOM 1033 CZ TYR A 67 3.310 -2.595 4.266 1.00 0.27 C ATOM 1034 OH TYR A 67 4.127 -1.617 4.787 1.00 0.31 O ATOM 0 H TYR A 67 0.106 -8.056 2.235 1.00 0.19 H new ATOM 0 HA TYR A 67 1.025 -6.847 4.512 1.00 0.18 H new ATOM 0 HB2 TYR A 67 1.437 -6.353 1.985 1.00 0.19 H new ATOM 0 HB3 TYR A 67 0.027 -5.315 2.060 1.00 0.19 H new ATOM 0 HD1 TYR A 67 0.140 -3.813 4.491 1.00 0.24 H new ATOM 0 HD2 TYR A 67 3.411 -5.186 2.080 1.00 0.20 H new ATOM 0 HE1 TYR A 67 1.580 -2.009 5.408 1.00 0.28 H new ATOM 0 HE2 TYR A 67 4.846 -3.400 3.002 1.00 0.23 H new ATOM 0 HH TYR A 67 3.616 -1.063 5.413 1.00 0.31 H new ATOM 1044 N LEU A 68 -1.784 -5.317 3.699 1.00 0.23 N ATOM 1045 CA LEU A 68 -2.917 -4.523 4.261 1.00 0.27 C ATOM 1046 C LEU A 68 -3.315 -5.030 5.651 1.00 0.26 C ATOM 1047 O LEU A 68 -3.366 -4.268 6.596 1.00 0.30 O ATOM 1048 CB LEU A 68 -4.111 -4.628 3.318 1.00 0.32 C ATOM 1049 CG LEU A 68 -4.695 -3.233 3.074 1.00 0.48 C ATOM 1050 CD1 LEU A 68 -6.046 -3.364 2.373 1.00 0.81 C ATOM 1051 CD2 LEU A 68 -4.882 -2.511 4.409 1.00 1.85 C ATOM 0 H LEU A 68 -1.797 -5.413 2.684 1.00 0.23 H new ATOM 0 HA LEU A 68 -2.600 -3.485 4.359 1.00 0.27 H new ATOM 0 HB2 LEU A 68 -3.803 -5.075 2.373 1.00 0.32 H new ATOM 0 HB3 LEU A 68 -4.870 -5.282 3.747 1.00 0.32 H new ATOM 0 HG LEU A 68 -4.012 -2.660 2.447 1.00 0.48 H new ATOM 0 HD11 LEU A 68 -6.463 -2.372 2.199 1.00 0.81 H new ATOM 0 HD12 LEU A 68 -5.913 -3.875 1.419 1.00 0.81 H new ATOM 0 HD13 LEU A 68 -6.727 -3.939 3.000 1.00 0.81 H new ATOM 0 HD21 LEU A 68 -5.298 -1.519 4.231 1.00 1.85 H new ATOM 0 HD22 LEU A 68 -5.564 -3.082 5.039 1.00 1.85 H new ATOM 0 HD23 LEU A 68 -3.918 -2.416 4.909 1.00 1.85 H new ATOM 1063 N GLU A 69 -3.596 -6.301 5.791 1.00 0.25 N ATOM 1064 CA GLU A 69 -3.985 -6.825 7.135 1.00 0.26 C ATOM 1065 C GLU A 69 -3.045 -6.227 8.179 1.00 0.26 C ATOM 1066 O GLU A 69 -3.459 -5.526 9.082 1.00 0.31 O ATOM 1067 CB GLU A 69 -3.865 -8.349 7.152 1.00 0.28 C ATOM 1068 CG GLU A 69 -5.256 -8.969 7.292 1.00 0.87 C ATOM 1069 CD GLU A 69 -5.252 -9.975 8.445 1.00 1.08 C ATOM 1070 OE1 GLU A 69 -5.116 -9.547 9.579 1.00 1.68 O ATOM 1071 OE2 GLU A 69 -5.385 -11.157 8.174 1.00 1.73 O ATOM 0 H GLU A 69 -3.573 -6.992 5.041 1.00 0.25 H new ATOM 0 HA GLU A 69 -5.016 -6.550 7.356 1.00 0.26 H new ATOM 0 HB2 GLU A 69 -3.391 -8.697 6.234 1.00 0.28 H new ATOM 0 HB3 GLU A 69 -3.229 -8.665 7.979 1.00 0.28 H new ATOM 0 HG2 GLU A 69 -5.996 -8.190 7.477 1.00 0.87 H new ATOM 0 HG3 GLU A 69 -5.540 -9.465 6.364 1.00 0.87 H new ATOM 1078 N ASN A 70 -1.777 -6.479 8.038 1.00 0.27 N ATOM 1079 CA ASN A 70 -0.783 -5.912 8.987 1.00 0.30 C ATOM 1080 C ASN A 70 0.530 -5.718 8.223 1.00 0.28 C ATOM 1081 O ASN A 70 1.037 -6.647 7.629 1.00 0.30 O ATOM 1082 CB ASN A 70 -0.560 -6.861 10.173 1.00 0.37 C ATOM 1083 CG ASN A 70 -1.727 -7.847 10.286 1.00 0.79 C ATOM 1084 OD1 ASN A 70 -2.854 -7.449 10.505 1.00 1.53 O ATOM 1085 ND2 ASN A 70 -1.503 -9.124 10.145 1.00 1.37 N ATOM 0 H ASN A 70 -1.382 -7.060 7.298 1.00 0.27 H new ATOM 0 HA ASN A 70 -1.146 -4.964 9.383 1.00 0.30 H new ATOM 0 HB2 ASN A 70 0.375 -7.406 10.042 1.00 0.37 H new ATOM 0 HB3 ASN A 70 -0.468 -6.287 11.095 1.00 0.37 H new ATOM 0 HD21 ASN A 70 -2.274 -9.788 10.219 1.00 1.37 H new ATOM 0 HD22 ASN A 70 -0.557 -9.459 9.961 1.00 1.37 H new ATOM 1092 N PRO A 71 1.037 -4.517 8.233 1.00 0.28 N ATOM 1093 CA PRO A 71 2.278 -4.199 7.514 1.00 0.29 C ATOM 1094 C PRO A 71 3.393 -5.181 7.884 1.00 0.24 C ATOM 1095 O PRO A 71 3.700 -6.085 7.139 1.00 0.28 O ATOM 1096 CB PRO A 71 2.625 -2.768 7.946 1.00 0.34 C ATOM 1097 CG PRO A 71 1.460 -2.253 8.829 1.00 0.35 C ATOM 1098 CD PRO A 71 0.435 -3.388 8.962 1.00 0.32 C ATOM 0 HA PRO A 71 2.161 -4.279 6.433 1.00 0.29 H new ATOM 0 HB2 PRO A 71 3.563 -2.752 8.501 1.00 0.34 H new ATOM 0 HB3 PRO A 71 2.759 -2.126 7.075 1.00 0.34 H new ATOM 0 HG2 PRO A 71 1.828 -1.954 9.810 1.00 0.35 H new ATOM 0 HG3 PRO A 71 1.000 -1.373 8.379 1.00 0.35 H new ATOM 0 HD2 PRO A 71 0.256 -3.641 10.007 1.00 0.32 H new ATOM 0 HD3 PRO A 71 -0.527 -3.106 8.533 1.00 0.32 H new ATOM 1106 N LYS A 72 4.007 -5.008 9.016 1.00 0.21 N ATOM 1107 CA LYS A 72 5.116 -5.923 9.413 1.00 0.20 C ATOM 1108 C LYS A 72 4.798 -7.375 9.035 1.00 0.23 C ATOM 1109 O LYS A 72 5.691 -8.161 8.789 1.00 0.28 O ATOM 1110 CB LYS A 72 5.336 -5.829 10.923 1.00 0.22 C ATOM 1111 CG LYS A 72 6.209 -4.610 11.229 1.00 0.25 C ATOM 1112 CD LYS A 72 6.363 -4.458 12.743 1.00 0.60 C ATOM 1113 CE LYS A 72 7.504 -3.483 13.043 1.00 1.04 C ATOM 1114 NZ LYS A 72 7.891 -3.597 14.477 1.00 1.48 N ATOM 0 H LYS A 72 3.791 -4.272 9.688 1.00 0.21 H new ATOM 0 HA LYS A 72 6.018 -5.619 8.882 1.00 0.20 H new ATOM 0 HB2 LYS A 72 4.379 -5.744 11.437 1.00 0.22 H new ATOM 0 HB3 LYS A 72 5.816 -6.736 11.290 1.00 0.22 H new ATOM 0 HG2 LYS A 72 7.188 -4.725 10.763 1.00 0.25 H new ATOM 0 HG3 LYS A 72 5.758 -3.712 10.807 1.00 0.25 H new ATOM 0 HD2 LYS A 72 5.433 -4.092 13.179 1.00 0.60 H new ATOM 0 HD3 LYS A 72 6.569 -5.427 13.198 1.00 0.60 H new ATOM 0 HE2 LYS A 72 8.361 -3.702 12.406 1.00 1.04 H new ATOM 0 HE3 LYS A 72 7.193 -2.463 12.819 1.00 1.04 H new ATOM 0 HZ1 LYS A 72 8.666 -2.935 14.681 1.00 1.48 H new ATOM 0 HZ2 LYS A 72 7.073 -3.368 15.077 1.00 1.48 H new ATOM 0 HZ3 LYS A 72 8.204 -4.569 14.676 1.00 1.48 H new ATOM 1128 N LYS A 73 3.550 -7.751 8.983 1.00 0.24 N ATOM 1129 CA LYS A 73 3.232 -9.162 8.629 1.00 0.29 C ATOM 1130 C LYS A 73 3.939 -9.535 7.319 1.00 0.30 C ATOM 1131 O LYS A 73 4.662 -10.509 7.257 1.00 0.38 O ATOM 1132 CB LYS A 73 1.699 -9.337 8.541 1.00 0.33 C ATOM 1133 CG LYS A 73 1.243 -9.897 7.183 1.00 0.38 C ATOM 1134 CD LYS A 73 -0.027 -10.721 7.394 1.00 0.53 C ATOM 1135 CE LYS A 73 -1.186 -10.084 6.628 1.00 0.56 C ATOM 1136 NZ LYS A 73 -2.455 -10.782 6.976 1.00 1.08 N ATOM 0 H LYS A 73 2.746 -7.151 9.168 1.00 0.24 H new ATOM 0 HA LYS A 73 3.596 -9.840 9.401 1.00 0.29 H new ATOM 0 HB2 LYS A 73 1.368 -10.006 9.335 1.00 0.33 H new ATOM 0 HB3 LYS A 73 1.217 -8.375 8.713 1.00 0.33 H new ATOM 0 HG2 LYS A 73 1.053 -9.083 6.483 1.00 0.38 H new ATOM 0 HG3 LYS A 73 2.027 -10.516 6.747 1.00 0.38 H new ATOM 0 HD2 LYS A 73 0.130 -11.744 7.051 1.00 0.53 H new ATOM 0 HD3 LYS A 73 -0.266 -10.774 8.456 1.00 0.53 H new ATOM 0 HE2 LYS A 73 -1.261 -9.025 6.876 1.00 0.56 H new ATOM 0 HE3 LYS A 73 -1.006 -10.148 5.555 1.00 0.56 H new ATOM 0 HZ1 LYS A 73 -3.175 -10.572 6.256 1.00 1.08 H new ATOM 0 HZ2 LYS A 73 -2.289 -11.808 7.010 1.00 1.08 H new ATOM 0 HZ3 LYS A 73 -2.788 -10.454 7.905 1.00 1.08 H new ATOM 1150 N TYR A 74 3.747 -8.778 6.274 1.00 0.27 N ATOM 1151 CA TYR A 74 4.428 -9.122 4.993 1.00 0.29 C ATOM 1152 C TYR A 74 5.943 -9.022 5.204 1.00 0.27 C ATOM 1153 O TYR A 74 6.714 -9.775 4.643 1.00 0.30 O ATOM 1154 CB TYR A 74 3.962 -8.165 3.872 1.00 0.31 C ATOM 1155 CG TYR A 74 4.992 -7.081 3.614 1.00 0.31 C ATOM 1156 CD1 TYR A 74 5.043 -5.960 4.443 1.00 1.24 C ATOM 1157 CD2 TYR A 74 5.896 -7.202 2.549 1.00 1.23 C ATOM 1158 CE1 TYR A 74 5.989 -4.959 4.214 1.00 1.27 C ATOM 1159 CE2 TYR A 74 6.844 -6.195 2.319 1.00 1.25 C ATOM 1160 CZ TYR A 74 6.887 -5.075 3.152 1.00 0.47 C ATOM 1161 OH TYR A 74 7.811 -4.083 2.919 1.00 0.59 O ATOM 0 H TYR A 74 3.156 -7.947 6.250 1.00 0.27 H new ATOM 0 HA TYR A 74 4.173 -10.138 4.691 1.00 0.29 H new ATOM 0 HB2 TYR A 74 3.788 -8.730 2.956 1.00 0.31 H new ATOM 0 HB3 TYR A 74 3.012 -7.709 4.151 1.00 0.31 H new ATOM 0 HD1 TYR A 74 4.348 -5.866 5.265 1.00 1.24 H new ATOM 0 HD2 TYR A 74 5.862 -8.070 1.907 1.00 1.23 H new ATOM 0 HE1 TYR A 74 6.026 -4.094 4.859 1.00 1.27 H new ATOM 0 HE2 TYR A 74 7.540 -6.285 1.498 1.00 1.25 H new ATOM 0 HH TYR A 74 8.362 -3.955 3.719 1.00 0.59 H new ATOM 1171 N ILE A 75 6.361 -8.090 6.017 1.00 0.27 N ATOM 1172 CA ILE A 75 7.814 -7.907 6.288 1.00 0.28 C ATOM 1173 C ILE A 75 7.964 -7.104 7.576 1.00 0.24 C ATOM 1174 O ILE A 75 7.957 -5.893 7.540 1.00 0.22 O ATOM 1175 CB ILE A 75 8.459 -7.120 5.139 1.00 0.30 C ATOM 1176 CG1 ILE A 75 8.644 -8.032 3.924 1.00 0.44 C ATOM 1177 CG2 ILE A 75 9.828 -6.590 5.578 1.00 0.30 C ATOM 1178 CD1 ILE A 75 9.421 -9.284 4.339 1.00 1.07 C ATOM 0 H ILE A 75 5.749 -7.440 6.511 1.00 0.27 H new ATOM 0 HA ILE A 75 8.299 -8.879 6.379 1.00 0.28 H new ATOM 0 HB ILE A 75 7.809 -6.286 4.875 1.00 0.30 H new ATOM 0 HG12 ILE A 75 7.673 -8.312 3.515 1.00 0.44 H new ATOM 0 HG13 ILE A 75 9.180 -7.502 3.137 1.00 0.44 H new ATOM 0 HG21 ILE A 75 10.282 -6.032 4.759 1.00 0.30 H new ATOM 0 HG22 ILE A 75 9.705 -5.934 6.440 1.00 0.30 H new ATOM 0 HG23 ILE A 75 10.472 -7.427 5.848 1.00 0.30 H new ATOM 0 HD11 ILE A 75 9.553 -9.934 3.474 1.00 1.07 H new ATOM 0 HD12 ILE A 75 10.397 -8.994 4.727 1.00 1.07 H new ATOM 0 HD13 ILE A 75 8.867 -9.817 5.112 1.00 1.07 H new ATOM 1190 N PRO A 76 8.085 -7.793 8.678 1.00 0.26 N ATOM 1191 CA PRO A 76 8.232 -7.139 9.986 1.00 0.25 C ATOM 1192 C PRO A 76 9.501 -6.303 10.039 1.00 0.26 C ATOM 1193 O PRO A 76 9.704 -5.514 10.939 1.00 0.28 O ATOM 1194 CB PRO A 76 8.285 -8.278 10.997 1.00 0.30 C ATOM 1195 CG PRO A 76 8.087 -9.603 10.219 1.00 0.34 C ATOM 1196 CD PRO A 76 8.071 -9.264 8.718 1.00 0.31 C ATOM 0 HA PRO A 76 7.410 -6.453 10.191 1.00 0.25 H new ATOM 0 HB2 PRO A 76 9.241 -8.281 11.521 1.00 0.30 H new ATOM 0 HB3 PRO A 76 7.508 -8.157 11.752 1.00 0.30 H new ATOM 0 HG2 PRO A 76 8.891 -10.303 10.445 1.00 0.34 H new ATOM 0 HG3 PRO A 76 7.154 -10.084 10.513 1.00 0.34 H new ATOM 0 HD2 PRO A 76 8.937 -9.684 8.206 1.00 0.31 H new ATOM 0 HD3 PRO A 76 7.184 -9.667 8.228 1.00 0.31 H new ATOM 1204 N GLY A 77 10.338 -6.449 9.066 1.00 0.25 N ATOM 1205 CA GLY A 77 11.582 -5.639 9.033 1.00 0.27 C ATOM 1206 C GLY A 77 11.243 -4.267 8.446 1.00 0.25 C ATOM 1207 O GLY A 77 12.111 -3.458 8.195 1.00 0.31 O ATOM 0 H GLY A 77 10.219 -7.096 8.286 1.00 0.25 H new ATOM 0 HA2 GLY A 77 11.993 -5.532 10.037 1.00 0.27 H new ATOM 0 HA3 GLY A 77 12.342 -6.134 8.429 1.00 0.27 H new ATOM 1211 N THR A 78 9.978 -4.001 8.235 1.00 0.23 N ATOM 1212 CA THR A 78 9.568 -2.687 7.669 1.00 0.26 C ATOM 1213 C THR A 78 9.691 -1.620 8.755 1.00 0.32 C ATOM 1214 O THR A 78 10.022 -1.907 9.888 1.00 0.47 O ATOM 1215 CB THR A 78 8.113 -2.767 7.197 1.00 0.31 C ATOM 1216 OG1 THR A 78 7.640 -1.464 6.899 1.00 0.47 O ATOM 1217 CG2 THR A 78 7.243 -3.383 8.294 1.00 0.27 C ATOM 0 H THR A 78 9.211 -4.643 8.433 1.00 0.23 H new ATOM 0 HA THR A 78 10.208 -2.432 6.825 1.00 0.26 H new ATOM 0 HB THR A 78 8.061 -3.390 6.304 1.00 0.31 H new ATOM 0 HG1 THR A 78 7.037 -1.503 6.128 1.00 0.47 H new ATOM 0 HG21 THR A 78 6.210 -3.437 7.952 1.00 0.27 H new ATOM 0 HG22 THR A 78 7.602 -4.386 8.523 1.00 0.27 H new ATOM 0 HG23 THR A 78 7.296 -2.765 9.191 1.00 0.27 H new ATOM 1225 N LYS A 79 9.420 -0.395 8.419 1.00 0.41 N ATOM 1226 CA LYS A 79 9.511 0.693 9.429 1.00 0.51 C ATOM 1227 C LYS A 79 8.165 1.413 9.510 1.00 0.56 C ATOM 1228 O LYS A 79 8.091 2.576 9.853 1.00 0.73 O ATOM 1229 CB LYS A 79 10.598 1.686 9.013 1.00 0.65 C ATOM 1230 CG LYS A 79 11.169 2.371 10.257 1.00 1.13 C ATOM 1231 CD LYS A 79 12.593 2.853 9.967 1.00 1.45 C ATOM 1232 CE LYS A 79 13.349 3.032 11.285 1.00 2.03 C ATOM 1233 NZ LYS A 79 14.115 4.310 11.250 1.00 2.57 N ATOM 0 H LYS A 79 9.138 -0.097 7.485 1.00 0.41 H new ATOM 0 HA LYS A 79 9.762 0.272 10.403 1.00 0.51 H new ATOM 0 HB2 LYS A 79 11.391 1.168 8.474 1.00 0.65 H new ATOM 0 HB3 LYS A 79 10.184 2.430 8.333 1.00 0.65 H new ATOM 0 HG2 LYS A 79 10.539 3.214 10.542 1.00 1.13 H new ATOM 0 HG3 LYS A 79 11.173 1.677 11.098 1.00 1.13 H new ATOM 0 HD2 LYS A 79 13.110 2.132 9.334 1.00 1.45 H new ATOM 0 HD3 LYS A 79 12.565 3.796 9.420 1.00 1.45 H new ATOM 0 HE2 LYS A 79 12.649 3.038 12.120 1.00 2.03 H new ATOM 0 HE3 LYS A 79 14.027 2.194 11.444 1.00 2.03 H new ATOM 0 HZ1 LYS A 79 14.629 4.431 12.146 1.00 2.57 H new ATOM 0 HZ2 LYS A 79 14.794 4.287 10.462 1.00 2.57 H new ATOM 0 HZ3 LYS A 79 13.458 5.105 11.117 1.00 2.57 H new ATOM 1247 N MET A 80 7.097 0.731 9.191 1.00 0.50 N ATOM 1248 CA MET A 80 5.760 1.381 9.246 1.00 0.59 C ATOM 1249 C MET A 80 4.760 0.476 9.953 1.00 0.40 C ATOM 1250 O MET A 80 4.862 -0.735 9.920 1.00 0.39 O ATOM 1251 CB MET A 80 5.257 1.654 7.826 1.00 0.83 C ATOM 1252 CG MET A 80 4.916 0.332 7.120 1.00 0.98 C ATOM 1253 SD MET A 80 3.261 0.434 6.371 1.00 0.62 S ATOM 1254 CE MET A 80 2.319 0.555 7.912 1.00 1.12 C ATOM 0 H MET A 80 7.095 -0.245 8.896 1.00 0.50 H new ATOM 0 HA MET A 80 5.855 2.318 9.795 1.00 0.59 H new ATOM 0 HB2 MET A 80 4.375 2.294 7.862 1.00 0.83 H new ATOM 0 HB3 MET A 80 6.018 2.191 7.260 1.00 0.83 H new ATOM 0 HG2 MET A 80 5.659 0.118 6.352 1.00 0.98 H new ATOM 0 HG3 MET A 80 4.951 -0.491 7.834 1.00 0.98 H new ATOM 0 HE1 MET A 80 1.263 0.379 7.708 1.00 1.12 H new ATOM 0 HE2 MET A 80 2.681 -0.191 8.619 1.00 1.12 H new ATOM 0 HE3 MET A 80 2.445 1.550 8.338 1.00 1.12 H new ATOM 1264 N ILE A 81 3.775 1.061 10.569 1.00 0.33 N ATOM 1265 CA ILE A 81 2.739 0.250 11.254 1.00 0.30 C ATOM 1266 C ILE A 81 1.403 0.973 11.150 1.00 0.36 C ATOM 1267 O ILE A 81 1.323 2.184 11.215 1.00 0.53 O ATOM 1268 CB ILE A 81 3.123 0.008 12.721 1.00 0.33 C ATOM 1269 CG1 ILE A 81 3.675 -1.426 12.824 1.00 0.35 C ATOM 1270 CG2 ILE A 81 1.898 0.177 13.641 1.00 0.51 C ATOM 1271 CD1 ILE A 81 3.409 -2.016 14.210 1.00 1.31 C ATOM 0 H ILE A 81 3.643 2.071 10.627 1.00 0.33 H new ATOM 0 HA ILE A 81 2.659 -0.725 10.774 1.00 0.30 H new ATOM 0 HB ILE A 81 3.872 0.733 13.039 1.00 0.33 H new ATOM 0 HG12 ILE A 81 3.212 -2.054 12.062 1.00 0.35 H new ATOM 0 HG13 ILE A 81 4.747 -1.422 12.626 1.00 0.35 H new ATOM 0 HG21 ILE A 81 2.193 0.001 14.676 1.00 0.51 H new ATOM 0 HG22 ILE A 81 1.506 1.189 13.543 1.00 0.51 H new ATOM 0 HG23 ILE A 81 1.128 -0.540 13.356 1.00 0.51 H new ATOM 0 HD11 ILE A 81 3.808 -3.029 14.257 1.00 1.31 H new ATOM 0 HD12 ILE A 81 3.894 -1.399 14.967 1.00 1.31 H new ATOM 0 HD13 ILE A 81 2.335 -2.040 14.395 1.00 1.31 H new ATOM 1283 N PHE A 82 0.358 0.231 10.991 1.00 0.32 N ATOM 1284 CA PHE A 82 -0.981 0.844 10.883 1.00 0.39 C ATOM 1285 C PHE A 82 -1.998 -0.284 10.701 1.00 0.39 C ATOM 1286 O PHE A 82 -2.063 -0.917 9.667 1.00 0.50 O ATOM 1287 CB PHE A 82 -1.004 1.810 9.686 1.00 0.44 C ATOM 1288 CG PHE A 82 -2.434 1.996 9.223 1.00 0.35 C ATOM 1289 CD1 PHE A 82 -3.007 1.066 8.349 1.00 1.26 C ATOM 1290 CD2 PHE A 82 -3.193 3.077 9.690 1.00 1.20 C ATOM 1291 CE1 PHE A 82 -4.335 1.213 7.940 1.00 1.29 C ATOM 1292 CE2 PHE A 82 -4.527 3.221 9.283 1.00 1.18 C ATOM 1293 CZ PHE A 82 -5.096 2.287 8.407 1.00 0.40 C ATOM 0 H PHE A 82 0.373 -0.787 10.930 1.00 0.32 H new ATOM 0 HA PHE A 82 -1.228 1.414 11.779 1.00 0.39 H new ATOM 0 HB2 PHE A 82 -0.573 2.770 9.970 1.00 0.44 H new ATOM 0 HB3 PHE A 82 -0.394 1.415 8.873 1.00 0.44 H new ATOM 0 HD1 PHE A 82 -2.422 0.233 7.990 1.00 1.26 H new ATOM 0 HD2 PHE A 82 -2.751 3.798 10.362 1.00 1.20 H new ATOM 0 HE1 PHE A 82 -4.773 0.496 7.262 1.00 1.29 H new ATOM 0 HE2 PHE A 82 -5.116 4.051 9.644 1.00 1.18 H new ATOM 0 HZ PHE A 82 -6.123 2.398 8.093 1.00 0.40 H new ATOM 1303 N ALA A 83 -2.779 -0.556 11.706 1.00 0.41 N ATOM 1304 CA ALA A 83 -3.776 -1.653 11.591 1.00 0.43 C ATOM 1305 C ALA A 83 -5.174 -1.048 11.426 1.00 0.39 C ATOM 1306 O ALA A 83 -5.976 -1.062 12.337 1.00 0.63 O ATOM 1307 CB ALA A 83 -3.728 -2.513 12.855 1.00 0.56 C ATOM 0 H ALA A 83 -2.770 -0.067 12.601 1.00 0.41 H new ATOM 0 HA ALA A 83 -3.547 -2.274 10.725 1.00 0.43 H new ATOM 0 HB1 ALA A 83 -4.458 -3.319 12.775 1.00 0.56 H new ATOM 0 HB2 ALA A 83 -2.730 -2.937 12.969 1.00 0.56 H new ATOM 0 HB3 ALA A 83 -3.962 -1.897 13.723 1.00 0.56 H new ATOM 1313 N GLY A 84 -5.467 -0.503 10.273 1.00 0.30 N ATOM 1314 CA GLY A 84 -6.808 0.117 10.059 1.00 0.30 C ATOM 1315 C GLY A 84 -7.653 -0.751 9.121 1.00 0.28 C ATOM 1316 O GLY A 84 -8.612 -1.370 9.538 1.00 0.34 O ATOM 0 H GLY A 84 -4.837 -0.461 9.472 1.00 0.30 H new ATOM 0 HA2 GLY A 84 -7.318 0.234 11.015 1.00 0.30 H new ATOM 0 HA3 GLY A 84 -6.691 1.115 9.635 1.00 0.30 H new ATOM 1320 N ILE A 85 -7.318 -0.797 7.857 1.00 0.30 N ATOM 1321 CA ILE A 85 -8.122 -1.624 6.912 1.00 0.35 C ATOM 1322 C ILE A 85 -7.617 -3.069 6.939 1.00 0.36 C ATOM 1323 O ILE A 85 -7.301 -3.644 5.917 1.00 0.59 O ATOM 1324 CB ILE A 85 -7.998 -1.075 5.485 1.00 0.45 C ATOM 1325 CG1 ILE A 85 -8.107 0.450 5.501 1.00 0.37 C ATOM 1326 CG2 ILE A 85 -9.119 -1.650 4.617 1.00 0.65 C ATOM 1327 CD1 ILE A 85 -7.146 1.030 4.461 1.00 0.35 C ATOM 0 H ILE A 85 -6.529 -0.301 7.442 1.00 0.30 H new ATOM 0 HA ILE A 85 -9.167 -1.590 7.219 1.00 0.35 H new ATOM 0 HB ILE A 85 -7.030 -1.364 5.076 1.00 0.45 H new ATOM 0 HG12 ILE A 85 -9.130 0.757 5.281 1.00 0.37 H new ATOM 0 HG13 ILE A 85 -7.866 0.834 6.492 1.00 0.37 H new ATOM 0 HG21 ILE A 85 -9.031 -1.260 3.603 1.00 0.65 H new ATOM 0 HG22 ILE A 85 -9.041 -2.737 4.595 1.00 0.65 H new ATOM 0 HG23 ILE A 85 -10.085 -1.363 5.033 1.00 0.65 H new ATOM 0 HD11 ILE A 85 -7.218 2.118 4.466 1.00 0.35 H new ATOM 0 HD12 ILE A 85 -6.126 0.732 4.703 1.00 0.35 H new ATOM 0 HD13 ILE A 85 -7.409 0.654 3.472 1.00 0.35 H new ATOM 1339 N LYS A 86 -7.532 -3.660 8.100 1.00 0.29 N ATOM 1340 CA LYS A 86 -7.040 -5.064 8.186 1.00 0.29 C ATOM 1341 C LYS A 86 -8.205 -6.036 7.967 1.00 0.38 C ATOM 1342 O LYS A 86 -8.008 -7.220 7.784 1.00 0.70 O ATOM 1343 CB LYS A 86 -6.419 -5.295 9.568 1.00 0.27 C ATOM 1344 CG LYS A 86 -6.133 -6.785 9.772 1.00 0.28 C ATOM 1345 CD LYS A 86 -5.640 -7.016 11.202 1.00 0.73 C ATOM 1346 CE LYS A 86 -6.793 -7.547 12.056 1.00 1.25 C ATOM 1347 NZ LYS A 86 -6.263 -8.040 13.358 1.00 1.78 N ATOM 0 H LYS A 86 -7.782 -3.232 8.991 1.00 0.29 H new ATOM 0 HA LYS A 86 -6.288 -5.237 7.416 1.00 0.29 H new ATOM 0 HB2 LYS A 86 -5.496 -4.723 9.661 1.00 0.27 H new ATOM 0 HB3 LYS A 86 -7.095 -4.937 10.344 1.00 0.27 H new ATOM 0 HG2 LYS A 86 -7.035 -7.368 9.588 1.00 0.28 H new ATOM 0 HG3 LYS A 86 -5.383 -7.124 9.058 1.00 0.28 H new ATOM 0 HD2 LYS A 86 -4.814 -7.727 11.203 1.00 0.73 H new ATOM 0 HD3 LYS A 86 -5.260 -6.085 11.622 1.00 0.73 H new ATOM 0 HE2 LYS A 86 -7.527 -6.759 12.225 1.00 1.25 H new ATOM 0 HE3 LYS A 86 -7.306 -8.353 11.532 1.00 1.25 H new ATOM 0 HZ1 LYS A 86 -7.047 -8.401 13.938 1.00 1.78 H new ATOM 0 HZ2 LYS A 86 -5.579 -8.804 13.187 1.00 1.78 H new ATOM 0 HZ3 LYS A 86 -5.792 -7.260 13.859 1.00 1.78 H new ATOM 1361 N LYS A 87 -9.416 -5.545 7.983 1.00 0.33 N ATOM 1362 CA LYS A 87 -10.593 -6.441 7.776 1.00 0.42 C ATOM 1363 C LYS A 87 -10.357 -7.333 6.549 1.00 0.49 C ATOM 1364 O LYS A 87 -9.669 -8.331 6.624 1.00 0.97 O ATOM 1365 CB LYS A 87 -11.849 -5.591 7.568 1.00 0.45 C ATOM 1366 CG LYS A 87 -12.240 -4.925 8.888 1.00 1.10 C ATOM 1367 CD LYS A 87 -13.752 -4.691 8.915 1.00 1.36 C ATOM 1368 CE LYS A 87 -14.251 -4.737 10.361 1.00 1.85 C ATOM 1369 NZ LYS A 87 -15.723 -4.512 10.387 1.00 2.46 N ATOM 0 H LYS A 87 -9.642 -4.561 8.131 1.00 0.33 H new ATOM 0 HA LYS A 87 -10.727 -7.074 8.654 1.00 0.42 H new ATOM 0 HB2 LYS A 87 -11.666 -4.833 6.806 1.00 0.45 H new ATOM 0 HB3 LYS A 87 -12.667 -6.214 7.207 1.00 0.45 H new ATOM 0 HG2 LYS A 87 -11.944 -5.555 9.727 1.00 1.10 H new ATOM 0 HG3 LYS A 87 -11.713 -3.977 8.999 1.00 1.10 H new ATOM 0 HD2 LYS A 87 -13.989 -3.726 8.468 1.00 1.36 H new ATOM 0 HD3 LYS A 87 -14.259 -5.451 8.320 1.00 1.36 H new ATOM 0 HE2 LYS A 87 -14.012 -5.702 10.809 1.00 1.85 H new ATOM 0 HE3 LYS A 87 -13.746 -3.976 10.955 1.00 1.85 H new ATOM 0 HZ1 LYS A 87 -16.062 -4.543 11.370 1.00 2.46 H new ATOM 0 HZ2 LYS A 87 -15.939 -3.582 9.976 1.00 2.46 H new ATOM 0 HZ3 LYS A 87 -16.197 -5.254 9.834 1.00 2.46 H new ATOM 1383 N LYS A 88 -10.918 -6.989 5.418 1.00 0.36 N ATOM 1384 CA LYS A 88 -10.707 -7.830 4.205 1.00 0.34 C ATOM 1385 C LYS A 88 -11.458 -7.230 3.014 1.00 0.28 C ATOM 1386 O LYS A 88 -10.861 -6.661 2.122 1.00 0.28 O ATOM 1387 CB LYS A 88 -11.213 -9.251 4.469 1.00 0.50 C ATOM 1388 CG LYS A 88 -10.615 -10.207 3.436 1.00 1.33 C ATOM 1389 CD LYS A 88 -11.467 -11.476 3.359 1.00 1.66 C ATOM 1390 CE LYS A 88 -10.882 -12.540 4.290 1.00 2.07 C ATOM 1391 NZ LYS A 88 -11.985 -13.364 4.859 1.00 2.84 N ATOM 0 H LYS A 88 -11.508 -6.168 5.284 1.00 0.36 H new ATOM 0 HA LYS A 88 -9.642 -7.861 3.975 1.00 0.34 H new ATOM 0 HB2 LYS A 88 -10.935 -9.566 5.475 1.00 0.50 H new ATOM 0 HB3 LYS A 88 -12.301 -9.276 4.416 1.00 0.50 H new ATOM 0 HG2 LYS A 88 -10.574 -9.724 2.460 1.00 1.33 H new ATOM 0 HG3 LYS A 88 -9.591 -10.460 3.710 1.00 1.33 H new ATOM 0 HD2 LYS A 88 -12.496 -11.254 3.644 1.00 1.66 H new ATOM 0 HD3 LYS A 88 -11.493 -11.848 2.335 1.00 1.66 H new ATOM 0 HE2 LYS A 88 -10.185 -13.174 3.742 1.00 2.07 H new ATOM 0 HE3 LYS A 88 -10.317 -12.065 5.092 1.00 2.07 H new ATOM 0 HZ1 LYS A 88 -11.587 -14.087 5.492 1.00 2.84 H new ATOM 0 HZ2 LYS A 88 -12.633 -12.753 5.396 1.00 2.84 H new ATOM 0 HZ3 LYS A 88 -12.506 -13.828 4.087 1.00 2.84 H new ATOM 1405 N THR A 89 -12.760 -7.354 2.989 1.00 0.29 N ATOM 1406 CA THR A 89 -13.541 -6.790 1.850 1.00 0.27 C ATOM 1407 C THR A 89 -12.988 -5.410 1.498 1.00 0.23 C ATOM 1408 O THR A 89 -12.448 -5.196 0.428 1.00 0.22 O ATOM 1409 CB THR A 89 -15.012 -6.662 2.250 1.00 0.33 C ATOM 1410 OG1 THR A 89 -15.101 -6.076 3.541 1.00 0.90 O ATOM 1411 CG2 THR A 89 -15.659 -8.047 2.271 1.00 0.90 C ATOM 0 H THR A 89 -13.314 -7.821 3.707 1.00 0.29 H new ATOM 0 HA THR A 89 -13.458 -7.451 0.987 1.00 0.27 H new ATOM 0 HB THR A 89 -15.531 -6.032 1.528 1.00 0.33 H new ATOM 0 HG1 THR A 89 -16.043 -5.992 3.798 1.00 0.90 H new ATOM 0 HG21 THR A 89 -16.707 -7.955 2.556 1.00 0.90 H new ATOM 0 HG22 THR A 89 -15.591 -8.496 1.280 1.00 0.90 H new ATOM 0 HG23 THR A 89 -15.141 -8.680 2.992 1.00 0.90 H new ATOM 1419 N GLU A 90 -13.105 -4.474 2.396 1.00 0.25 N ATOM 1420 CA GLU A 90 -12.574 -3.117 2.115 1.00 0.25 C ATOM 1421 C GLU A 90 -11.133 -3.244 1.625 1.00 0.21 C ATOM 1422 O GLU A 90 -10.739 -2.612 0.668 1.00 0.20 O ATOM 1423 CB GLU A 90 -12.608 -2.278 3.394 1.00 0.33 C ATOM 1424 CG GLU A 90 -14.061 -2.020 3.797 1.00 1.01 C ATOM 1425 CD GLU A 90 -14.093 -1.271 5.131 1.00 1.36 C ATOM 1426 OE1 GLU A 90 -13.091 -1.297 5.827 1.00 2.07 O ATOM 1427 OE2 GLU A 90 -15.119 -0.684 5.433 1.00 1.90 O ATOM 0 H GLU A 90 -13.544 -4.591 3.309 1.00 0.25 H new ATOM 0 HA GLU A 90 -13.183 -2.631 1.353 1.00 0.25 H new ATOM 0 HB2 GLU A 90 -12.084 -2.797 4.196 1.00 0.33 H new ATOM 0 HB3 GLU A 90 -12.090 -1.332 3.235 1.00 0.33 H new ATOM 0 HG2 GLU A 90 -14.565 -1.436 3.027 1.00 1.01 H new ATOM 0 HG3 GLU A 90 -14.599 -2.964 3.884 1.00 1.01 H new ATOM 1434 N ARG A 91 -10.342 -4.061 2.271 1.00 0.23 N ATOM 1435 CA ARG A 91 -8.927 -4.223 1.836 1.00 0.24 C ATOM 1436 C ARG A 91 -8.869 -4.345 0.314 1.00 0.21 C ATOM 1437 O ARG A 91 -8.179 -3.599 -0.352 1.00 0.24 O ATOM 1438 CB ARG A 91 -8.336 -5.483 2.470 1.00 0.31 C ATOM 1439 CG ARG A 91 -8.636 -5.488 3.971 1.00 1.31 C ATOM 1440 CD ARG A 91 -7.760 -6.525 4.694 1.00 1.63 C ATOM 1441 NE ARG A 91 -6.900 -7.255 3.716 1.00 1.93 N ATOM 1442 CZ ARG A 91 -7.115 -8.520 3.474 1.00 2.21 C ATOM 1443 NH1 ARG A 91 -8.130 -8.881 2.737 1.00 2.74 N ATOM 1444 NH2 ARG A 91 -6.315 -9.424 3.969 1.00 2.69 N ATOM 0 H ARG A 91 -10.616 -4.621 3.079 1.00 0.23 H new ATOM 0 HA ARG A 91 -8.352 -3.353 2.153 1.00 0.24 H new ATOM 0 HB2 ARG A 91 -8.759 -6.372 2.001 1.00 0.31 H new ATOM 0 HB3 ARG A 91 -7.259 -5.516 2.303 1.00 0.31 H new ATOM 0 HG2 ARG A 91 -8.454 -4.497 4.387 1.00 1.31 H new ATOM 0 HG3 ARG A 91 -9.689 -5.715 4.136 1.00 1.31 H new ATOM 0 HD2 ARG A 91 -7.136 -6.028 5.436 1.00 1.63 H new ATOM 0 HD3 ARG A 91 -8.392 -7.233 5.231 1.00 1.63 H new ATOM 0 HE ARG A 91 -6.144 -6.765 3.237 1.00 1.93 H new ATOM 0 HH11 ARG A 91 -8.756 -8.175 2.350 1.00 2.74 H new ATOM 0 HH12 ARG A 91 -8.297 -9.869 2.548 1.00 2.74 H new ATOM 0 HH21 ARG A 91 -5.522 -9.143 4.545 1.00 2.69 H new ATOM 0 HH22 ARG A 91 -6.483 -10.412 3.780 1.00 2.69 H new ATOM 1458 N GLU A 92 -9.589 -5.278 -0.244 1.00 0.20 N ATOM 1459 CA GLU A 92 -9.571 -5.438 -1.723 1.00 0.20 C ATOM 1460 C GLU A 92 -9.835 -4.081 -2.374 1.00 0.18 C ATOM 1461 O GLU A 92 -9.083 -3.626 -3.215 1.00 0.19 O ATOM 1462 CB GLU A 92 -10.659 -6.429 -2.145 1.00 0.23 C ATOM 1463 CG GLU A 92 -10.043 -7.522 -3.020 1.00 0.73 C ATOM 1464 CD GLU A 92 -11.134 -8.505 -3.449 1.00 1.29 C ATOM 1465 OE1 GLU A 92 -12.238 -8.391 -2.944 1.00 2.07 O ATOM 1466 OE2 GLU A 92 -10.846 -9.356 -4.274 1.00 1.89 O ATOM 0 H GLU A 92 -10.187 -5.934 0.259 1.00 0.20 H new ATOM 0 HA GLU A 92 -8.599 -5.816 -2.040 1.00 0.20 H new ATOM 0 HB2 GLU A 92 -11.123 -6.872 -1.264 1.00 0.23 H new ATOM 0 HB3 GLU A 92 -11.446 -5.910 -2.693 1.00 0.23 H new ATOM 0 HG2 GLU A 92 -9.572 -7.079 -3.897 1.00 0.73 H new ATOM 0 HG3 GLU A 92 -9.262 -8.046 -2.470 1.00 0.73 H new ATOM 1473 N ASP A 93 -10.894 -3.424 -1.983 1.00 0.18 N ATOM 1474 CA ASP A 93 -11.202 -2.091 -2.574 1.00 0.20 C ATOM 1475 C ASP A 93 -9.927 -1.250 -2.596 1.00 0.19 C ATOM 1476 O ASP A 93 -9.603 -0.614 -3.578 1.00 0.27 O ATOM 1477 CB ASP A 93 -12.261 -1.389 -1.721 1.00 0.24 C ATOM 1478 CG ASP A 93 -13.449 -2.327 -1.503 1.00 0.88 C ATOM 1479 OD1 ASP A 93 -13.560 -3.292 -2.241 1.00 1.62 O ATOM 1480 OD2 ASP A 93 -14.228 -2.066 -0.601 1.00 1.65 O ATOM 0 H ASP A 93 -11.557 -3.752 -1.281 1.00 0.18 H new ATOM 0 HA ASP A 93 -11.579 -2.215 -3.589 1.00 0.20 H new ATOM 0 HB2 ASP A 93 -11.834 -1.097 -0.761 1.00 0.24 H new ATOM 0 HB3 ASP A 93 -12.592 -0.475 -2.214 1.00 0.24 H new ATOM 1485 N LEU A 94 -9.205 -1.251 -1.514 1.00 0.20 N ATOM 1486 CA LEU A 94 -7.946 -0.465 -1.439 1.00 0.21 C ATOM 1487 C LEU A 94 -7.032 -0.832 -2.606 1.00 0.18 C ATOM 1488 O LEU A 94 -6.577 0.011 -3.350 1.00 0.21 O ATOM 1489 CB LEU A 94 -7.236 -0.802 -0.128 1.00 0.23 C ATOM 1490 CG LEU A 94 -6.686 0.474 0.492 1.00 0.43 C ATOM 1491 CD1 LEU A 94 -5.966 0.138 1.796 1.00 0.78 C ATOM 1492 CD2 LEU A 94 -5.706 1.133 -0.479 1.00 0.46 C ATOM 0 H LEU A 94 -9.437 -1.770 -0.667 1.00 0.20 H new ATOM 0 HA LEU A 94 -8.178 0.599 -1.485 1.00 0.21 H new ATOM 0 HB2 LEU A 94 -7.930 -1.284 0.561 1.00 0.23 H new ATOM 0 HB3 LEU A 94 -6.426 -1.508 -0.311 1.00 0.23 H new ATOM 0 HG LEU A 94 -7.507 1.160 0.698 1.00 0.43 H new ATOM 0 HD11 LEU A 94 -5.572 1.052 2.240 1.00 0.78 H new ATOM 0 HD12 LEU A 94 -6.666 -0.329 2.488 1.00 0.78 H new ATOM 0 HD13 LEU A 94 -5.145 -0.549 1.592 1.00 0.78 H new ATOM 0 HD21 LEU A 94 -5.312 2.047 -0.034 1.00 0.46 H new ATOM 0 HD22 LEU A 94 -4.884 0.448 -0.688 1.00 0.46 H new ATOM 0 HD23 LEU A 94 -6.222 1.375 -1.408 1.00 0.46 H new ATOM 1504 N ILE A 95 -6.744 -2.085 -2.756 1.00 0.18 N ATOM 1505 CA ILE A 95 -5.841 -2.516 -3.859 1.00 0.20 C ATOM 1506 C ILE A 95 -6.407 -2.052 -5.207 1.00 0.22 C ATOM 1507 O ILE A 95 -5.920 -1.107 -5.776 1.00 0.48 O ATOM 1508 CB ILE A 95 -5.694 -4.052 -3.806 1.00 0.24 C ATOM 1509 CG1 ILE A 95 -4.457 -4.399 -2.974 1.00 0.30 C ATOM 1510 CG2 ILE A 95 -5.541 -4.660 -5.210 1.00 0.36 C ATOM 1511 CD1 ILE A 95 -4.869 -5.267 -1.783 1.00 0.46 C ATOM 0 H ILE A 95 -7.094 -2.837 -2.163 1.00 0.18 H new ATOM 0 HA ILE A 95 -4.856 -2.065 -3.743 1.00 0.20 H new ATOM 0 HB ILE A 95 -6.597 -4.466 -3.357 1.00 0.24 H new ATOM 0 HG12 ILE A 95 -3.729 -4.929 -3.589 1.00 0.30 H new ATOM 0 HG13 ILE A 95 -3.974 -3.487 -2.623 1.00 0.30 H new ATOM 0 HG21 ILE A 95 -5.440 -5.742 -5.129 1.00 0.36 H new ATOM 0 HG22 ILE A 95 -6.421 -4.421 -5.808 1.00 0.36 H new ATOM 0 HG23 ILE A 95 -4.653 -4.248 -5.690 1.00 0.36 H new ATOM 0 HD11 ILE A 95 -3.988 -5.514 -1.191 1.00 0.46 H new ATOM 0 HD12 ILE A 95 -5.581 -4.721 -1.164 1.00 0.46 H new ATOM 0 HD13 ILE A 95 -5.332 -6.185 -2.145 1.00 0.46 H new ATOM 1523 N ALA A 96 -7.416 -2.710 -5.720 1.00 0.24 N ATOM 1524 CA ALA A 96 -7.996 -2.304 -7.046 1.00 0.23 C ATOM 1525 C ALA A 96 -7.964 -0.783 -7.209 1.00 0.20 C ATOM 1526 O ALA A 96 -7.323 -0.270 -8.104 1.00 0.22 O ATOM 1527 CB ALA A 96 -9.441 -2.796 -7.143 1.00 0.24 C ATOM 0 H ALA A 96 -7.867 -3.513 -5.280 1.00 0.24 H new ATOM 0 HA ALA A 96 -7.397 -2.752 -7.839 1.00 0.23 H new ATOM 0 HB1 ALA A 96 -9.862 -2.502 -8.104 1.00 0.24 H new ATOM 0 HB2 ALA A 96 -9.462 -3.882 -7.055 1.00 0.24 H new ATOM 0 HB3 ALA A 96 -10.030 -2.355 -6.339 1.00 0.24 H new ATOM 1533 N TYR A 97 -8.644 -0.062 -6.358 1.00 0.18 N ATOM 1534 CA TYR A 97 -8.643 1.426 -6.463 1.00 0.17 C ATOM 1535 C TYR A 97 -7.231 1.897 -6.827 1.00 0.16 C ATOM 1536 O TYR A 97 -6.991 2.456 -7.875 1.00 0.17 O ATOM 1537 CB TYR A 97 -9.072 2.009 -5.099 1.00 0.19 C ATOM 1538 CG TYR A 97 -8.201 3.184 -4.701 1.00 0.17 C ATOM 1539 CD1 TYR A 97 -8.434 4.452 -5.241 1.00 0.20 C ATOM 1540 CD2 TYR A 97 -7.149 2.991 -3.805 1.00 0.18 C ATOM 1541 CE1 TYR A 97 -7.611 5.527 -4.878 1.00 0.23 C ATOM 1542 CE2 TYR A 97 -6.328 4.055 -3.446 1.00 0.22 C ATOM 1543 CZ TYR A 97 -6.556 5.327 -3.981 1.00 0.24 C ATOM 1544 OH TYR A 97 -5.744 6.383 -3.624 1.00 0.31 O ATOM 0 H TYR A 97 -9.202 -0.441 -5.593 1.00 0.18 H new ATOM 0 HA TYR A 97 -9.336 1.763 -7.234 1.00 0.17 H new ATOM 0 HB2 TYR A 97 -10.114 2.327 -5.149 1.00 0.19 H new ATOM 0 HB3 TYR A 97 -9.011 1.234 -4.335 1.00 0.19 H new ATOM 0 HD1 TYR A 97 -9.246 4.603 -5.936 1.00 0.20 H new ATOM 0 HD2 TYR A 97 -6.971 2.011 -3.388 1.00 0.18 H new ATOM 0 HE1 TYR A 97 -7.791 6.509 -5.290 1.00 0.23 H new ATOM 0 HE2 TYR A 97 -5.514 3.899 -2.754 1.00 0.22 H new ATOM 0 HH TYR A 97 -5.150 6.107 -2.895 1.00 0.31 H new ATOM 1554 N LEU A 98 -6.316 1.663 -5.941 1.00 0.17 N ATOM 1555 CA LEU A 98 -4.892 2.069 -6.147 1.00 0.18 C ATOM 1556 C LEU A 98 -4.397 1.634 -7.532 1.00 0.21 C ATOM 1557 O LEU A 98 -3.768 2.391 -8.244 1.00 0.37 O ATOM 1558 CB LEU A 98 -4.060 1.371 -5.072 1.00 0.21 C ATOM 1559 CG LEU A 98 -2.915 2.270 -4.583 1.00 0.32 C ATOM 1560 CD1 LEU A 98 -2.268 2.999 -5.758 1.00 1.08 C ATOM 1561 CD2 LEU A 98 -3.453 3.296 -3.589 1.00 0.83 C ATOM 0 H LEU A 98 -6.493 1.193 -5.053 1.00 0.17 H new ATOM 0 HA LEU A 98 -4.801 3.153 -6.081 1.00 0.18 H new ATOM 0 HB2 LEU A 98 -4.699 1.103 -4.231 1.00 0.21 H new ATOM 0 HB3 LEU A 98 -3.652 0.442 -5.471 1.00 0.21 H new ATOM 0 HG LEU A 98 -2.166 1.644 -4.098 1.00 0.32 H new ATOM 0 HD11 LEU A 98 -1.459 3.631 -5.393 1.00 1.08 H new ATOM 0 HD12 LEU A 98 -1.869 2.270 -6.463 1.00 1.08 H new ATOM 0 HD13 LEU A 98 -3.014 3.617 -6.258 1.00 1.08 H new ATOM 0 HD21 LEU A 98 -2.637 3.932 -3.245 1.00 0.83 H new ATOM 0 HD22 LEU A 98 -4.211 3.910 -4.075 1.00 0.83 H new ATOM 0 HD23 LEU A 98 -3.895 2.780 -2.737 1.00 0.83 H new ATOM 1573 N LYS A 99 -4.665 0.415 -7.905 1.00 0.21 N ATOM 1574 CA LYS A 99 -4.208 -0.100 -9.224 1.00 0.23 C ATOM 1575 C LYS A 99 -4.361 0.976 -10.296 1.00 0.21 C ATOM 1576 O LYS A 99 -3.431 1.284 -11.015 1.00 0.23 O ATOM 1577 CB LYS A 99 -5.049 -1.320 -9.600 1.00 0.27 C ATOM 1578 CG LYS A 99 -4.620 -1.834 -10.976 1.00 0.36 C ATOM 1579 CD LYS A 99 -5.711 -2.745 -11.542 1.00 1.15 C ATOM 1580 CE LYS A 99 -5.064 -3.881 -12.337 1.00 1.47 C ATOM 1581 NZ LYS A 99 -6.086 -4.922 -12.640 1.00 2.12 N ATOM 0 H LYS A 99 -5.189 -0.256 -7.343 1.00 0.21 H new ATOM 0 HA LYS A 99 -3.156 -0.378 -9.156 1.00 0.23 H new ATOM 0 HB2 LYS A 99 -4.925 -2.104 -8.853 1.00 0.27 H new ATOM 0 HB3 LYS A 99 -6.106 -1.056 -9.613 1.00 0.27 H new ATOM 0 HG2 LYS A 99 -4.445 -0.996 -11.651 1.00 0.36 H new ATOM 0 HG3 LYS A 99 -3.680 -2.381 -10.895 1.00 0.36 H new ATOM 0 HD2 LYS A 99 -6.316 -3.152 -10.732 1.00 1.15 H new ATOM 0 HD3 LYS A 99 -6.381 -2.173 -12.184 1.00 1.15 H new ATOM 0 HE2 LYS A 99 -4.638 -3.494 -13.263 1.00 1.47 H new ATOM 0 HE3 LYS A 99 -4.244 -4.317 -11.767 1.00 1.47 H new ATOM 0 HZ1 LYS A 99 -5.646 -5.694 -13.180 1.00 2.12 H new ATOM 0 HZ2 LYS A 99 -6.472 -5.298 -11.751 1.00 2.12 H new ATOM 0 HZ3 LYS A 99 -6.854 -4.501 -13.201 1.00 2.12 H new ATOM 1595 N LYS A 100 -5.526 1.540 -10.424 1.00 0.19 N ATOM 1596 CA LYS A 100 -5.727 2.584 -11.471 1.00 0.20 C ATOM 1597 C LYS A 100 -5.589 3.987 -10.867 1.00 0.19 C ATOM 1598 O LYS A 100 -5.543 4.971 -11.577 1.00 0.23 O ATOM 1599 CB LYS A 100 -7.125 2.430 -12.074 1.00 0.23 C ATOM 1600 CG LYS A 100 -7.018 1.798 -13.463 1.00 0.77 C ATOM 1601 CD LYS A 100 -8.421 1.494 -13.994 1.00 1.38 C ATOM 1602 CE LYS A 100 -8.477 1.795 -15.493 1.00 1.94 C ATOM 1603 NZ LYS A 100 -9.606 1.043 -16.109 1.00 2.71 N ATOM 0 H LYS A 100 -6.345 1.328 -9.855 1.00 0.19 H new ATOM 0 HA LYS A 100 -4.968 2.458 -12.243 1.00 0.20 H new ATOM 0 HB2 LYS A 100 -7.745 1.809 -11.427 1.00 0.23 H new ATOM 0 HB3 LYS A 100 -7.612 3.403 -12.143 1.00 0.23 H new ATOM 0 HG2 LYS A 100 -6.499 2.474 -14.143 1.00 0.77 H new ATOM 0 HG3 LYS A 100 -6.430 0.882 -13.413 1.00 0.77 H new ATOM 0 HD2 LYS A 100 -8.671 0.449 -13.813 1.00 1.38 H new ATOM 0 HD3 LYS A 100 -9.160 2.095 -13.464 1.00 1.38 H new ATOM 0 HE2 LYS A 100 -8.607 2.865 -15.655 1.00 1.94 H new ATOM 0 HE3 LYS A 100 -7.537 1.513 -15.967 1.00 1.94 H new ATOM 0 HZ1 LYS A 100 -9.644 1.247 -17.128 1.00 2.71 H new ATOM 0 HZ2 LYS A 100 -9.463 0.023 -15.966 1.00 2.71 H new ATOM 0 HZ3 LYS A 100 -10.500 1.333 -15.664 1.00 2.71 H new ATOM 1617 N ALA A 101 -5.511 4.096 -9.570 1.00 0.17 N ATOM 1618 CA ALA A 101 -5.380 5.444 -8.953 1.00 0.19 C ATOM 1619 C ALA A 101 -3.994 5.992 -9.258 1.00 0.21 C ATOM 1620 O ALA A 101 -3.838 7.063 -9.815 1.00 0.28 O ATOM 1621 CB ALA A 101 -5.570 5.336 -7.438 1.00 0.20 C ATOM 0 H ALA A 101 -5.532 3.315 -8.914 1.00 0.17 H new ATOM 0 HA ALA A 101 -6.139 6.113 -9.360 1.00 0.19 H new ATOM 0 HB1 ALA A 101 -5.474 6.324 -6.988 1.00 0.20 H new ATOM 0 HB2 ALA A 101 -6.560 4.934 -7.223 1.00 0.20 H new ATOM 0 HB3 ALA A 101 -4.811 4.673 -7.023 1.00 0.20 H new ATOM 1627 N THR A 102 -2.982 5.255 -8.914 1.00 0.25 N ATOM 1628 CA THR A 102 -1.605 5.722 -9.191 1.00 0.30 C ATOM 1629 C THR A 102 -1.274 5.470 -10.666 1.00 0.30 C ATOM 1630 O THR A 102 -0.155 5.658 -11.101 1.00 0.35 O ATOM 1631 CB THR A 102 -0.637 5.000 -8.238 1.00 0.39 C ATOM 1632 OG1 THR A 102 -0.181 5.934 -7.268 1.00 0.66 O ATOM 1633 CG2 THR A 102 0.574 4.431 -8.979 1.00 0.31 C ATOM 0 H THR A 102 -3.050 4.348 -8.452 1.00 0.25 H new ATOM 0 HA THR A 102 -1.509 6.793 -9.015 1.00 0.30 H new ATOM 0 HB THR A 102 -1.169 4.170 -7.774 1.00 0.39 H new ATOM 0 HG1 THR A 102 0.437 5.489 -6.651 1.00 0.66 H new ATOM 0 HG21 THR A 102 1.232 3.930 -8.269 1.00 0.31 H new ATOM 0 HG22 THR A 102 0.238 3.716 -9.730 1.00 0.31 H new ATOM 0 HG23 THR A 102 1.116 5.241 -9.466 1.00 0.31 H new ATOM 1641 N ASN A 103 -2.248 5.091 -11.453 1.00 0.29 N ATOM 1642 CA ASN A 103 -1.981 4.886 -12.895 1.00 0.36 C ATOM 1643 C ASN A 103 -2.223 6.221 -13.596 1.00 0.44 C ATOM 1644 O ASN A 103 -2.174 6.323 -14.806 1.00 0.53 O ATOM 1645 CB ASN A 103 -2.932 3.826 -13.453 1.00 0.40 C ATOM 1646 CG ASN A 103 -2.171 2.910 -14.413 1.00 0.74 C ATOM 1647 OD1 ASN A 103 -1.016 2.605 -14.192 1.00 1.54 O ATOM 1648 ND2 ASN A 103 -2.774 2.455 -15.477 1.00 1.35 N ATOM 0 H ASN A 103 -3.208 4.917 -11.156 1.00 0.29 H new ATOM 0 HA ASN A 103 -0.958 4.546 -13.055 1.00 0.36 H new ATOM 0 HB2 ASN A 103 -3.360 3.241 -12.638 1.00 0.40 H new ATOM 0 HB3 ASN A 103 -3.762 4.305 -13.972 1.00 0.40 H new ATOM 0 HD21 ASN A 103 -2.276 1.843 -16.123 1.00 1.35 H new ATOM 0 HD22 ASN A 103 -3.744 2.711 -15.662 1.00 1.35 H new ATOM 1655 N GLU A 104 -2.485 7.251 -12.823 1.00 0.46 N ATOM 1656 CA GLU A 104 -2.733 8.596 -13.402 1.00 0.61 C ATOM 1657 C GLU A 104 -1.791 8.836 -14.584 1.00 0.70 C ATOM 1658 O GLU A 104 -2.152 9.608 -15.457 1.00 1.22 O ATOM 1659 CB GLU A 104 -2.477 9.650 -12.321 1.00 0.71 C ATOM 1660 CG GLU A 104 -2.862 11.032 -12.853 1.00 0.90 C ATOM 1661 CD GLU A 104 -2.201 12.111 -11.993 1.00 1.46 C ATOM 1662 OE1 GLU A 104 -2.679 12.340 -10.894 1.00 2.11 O ATOM 1663 OE2 GLU A 104 -1.228 12.690 -12.447 1.00 2.15 O ATOM 1664 OXT GLU A 104 -0.724 8.243 -14.596 1.00 1.37 O ATOM 0 H GLU A 104 -2.536 7.208 -11.805 1.00 0.46 H new ATOM 0 HA GLU A 104 -3.763 8.662 -13.753 1.00 0.61 H new ATOM 0 HB2 GLU A 104 -3.057 9.418 -11.428 1.00 0.71 H new ATOM 0 HB3 GLU A 104 -1.426 9.640 -12.030 1.00 0.71 H new ATOM 0 HG2 GLU A 104 -2.546 11.135 -13.891 1.00 0.90 H new ATOM 0 HG3 GLU A 104 -3.945 11.151 -12.836 1.00 0.90 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 2.508 1.249 4.203 1.00 0.29 FE HETATM 1673 CHA HEC A 105 5.283 -0.089 2.834 1.00 0.30 C HETATM 1674 CHB HEC A 105 0.594 -0.523 2.047 1.00 0.37 C HETATM 1675 CHC HEC A 105 -0.272 2.493 5.648 1.00 0.28 C HETATM 1676 CHD HEC A 105 4.390 3.583 5.754 1.00 0.22 C HETATM 1677 NA HEC A 105 2.863 -0.026 2.758 1.00 0.26 N HETATM 1678 C1A HEC A 105 4.080 -0.474 2.305 1.00 0.27 C HETATM 1679 C2A HEC A 105 3.932 -1.401 1.208 1.00 0.32 C HETATM 1680 C3A HEC A 105 2.611 -1.523 0.989 1.00 0.30 C HETATM 1681 C4A HEC A 105 1.954 -0.670 1.952 1.00 0.30 C HETATM 1682 CMA HEC A 105 1.948 -2.390 -0.069 1.00 0.35 C HETATM 1683 CAA HEC A 105 5.043 -2.103 0.445 1.00 0.44 C HETATM 1684 CBA HEC A 105 6.112 -1.140 -0.044 1.00 0.72 C HETATM 1685 CGA HEC A 105 6.072 -1.072 -1.562 1.00 0.98 C HETATM 1686 O1A HEC A 105 4.988 -1.142 -2.118 1.00 1.36 O HETATM 1687 O2A HEC A 105 7.125 -0.950 -2.163 1.00 1.57 O HETATM 1688 NB HEC A 105 0.582 1.030 3.915 1.00 0.30 N HETATM 1689 C1B HEC A 105 -0.053 0.258 2.970 1.00 0.34 C HETATM 1690 C2B HEC A 105 -1.491 0.372 3.069 1.00 0.34 C HETATM 1691 C3B HEC A 105 -1.738 1.220 4.085 1.00 0.31 C HETATM 1692 C4B HEC A 105 -0.450 1.624 4.603 1.00 0.29 C HETATM 1693 CMB HEC A 105 -2.526 -0.327 2.201 1.00 0.39 C HETATM 1694 CAB HEC A 105 -3.108 1.639 4.596 1.00 0.32 C HETATM 1695 CBB HEC A 105 -4.135 0.554 4.868 1.00 0.80 C HETATM 1696 NC HEC A 105 2.141 2.696 5.461 1.00 0.23 N HETATM 1697 C1C HEC A 105 0.921 3.094 5.961 1.00 0.24 C HETATM 1698 C2C HEC A 105 1.054 4.225 6.847 1.00 0.22 C HETATM 1699 C3C HEC A 105 2.371 4.503 6.906 1.00 0.22 C HETATM 1700 C4C HEC A 105 3.037 3.564 6.032 1.00 0.22 C HETATM 1701 CMC HEC A 105 -0.073 5.040 7.474 1.00 0.23 C HETATM 1702 CAC HEC A 105 3.011 5.625 7.697 1.00 0.23 C HETATM 1703 CBC HEC A 105 2.475 5.945 9.083 1.00 0.61 C HETATM 1704 ND HEC A 105 4.423 1.640 4.298 1.00 0.22 N HETATM 1705 C1D HEC A 105 5.048 2.626 5.017 1.00 0.23 C HETATM 1706 C2D HEC A 105 6.486 2.571 4.859 1.00 0.32 C HETATM 1707 C3D HEC A 105 6.740 1.549 4.012 1.00 0.38 C HETATM 1708 C4D HEC A 105 5.456 0.976 3.677 1.00 0.28 C HETATM 1709 CMD HEC A 105 7.506 3.483 5.527 1.00 0.38 C HETATM 1710 CAD HEC A 105 8.096 1.139 3.440 1.00 0.64 C HETATM 1711 CBD HEC A 105 8.973 0.386 4.429 1.00 0.63 C HETATM 1712 CGD HEC A 105 9.829 1.364 5.229 1.00 0.67 C HETATM 1713 O1D HEC A 105 10.355 0.964 6.254 1.00 1.37 O HETATM 1714 O2D HEC A 105 9.964 2.505 4.814 1.00 1.21 O HETATM 0 HMD3 HEC A 105 7.316 4.516 5.236 1.00 0.38 H new HETATM 0 HMD2 HEC A 105 7.423 3.390 6.610 1.00 0.38 H new HETATM 0 HMD1 HEC A 105 8.510 3.197 5.214 1.00 0.38 H new HETATM 0 HMC3 HEC A 105 -0.681 5.485 6.687 1.00 0.23 H new HETATM 0 HMC2 HEC A 105 -0.695 4.389 8.089 1.00 0.23 H new HETATM 0 HMC1 HEC A 105 0.351 5.829 8.095 1.00 0.23 H new HETATM 0 HMB3 HEC A 105 -2.382 -0.039 1.160 1.00 0.39 H new HETATM 0 HMB2 HEC A 105 -2.412 -1.407 2.297 1.00 0.39 H new HETATM 0 HMB1 HEC A 105 -3.526 -0.037 2.523 1.00 0.39 H new HETATM 0 HMA3 HEC A 105 2.284 -2.078 -1.058 1.00 0.35 H new HETATM 0 HMA2 HEC A 105 2.218 -3.433 0.094 1.00 0.35 H new HETATM 0 HMA1 HEC A 105 0.865 -2.281 -0.003 1.00 0.35 H new HETATM 0 HBD2 HEC A 105 8.350 -0.200 5.105 1.00 0.63 H new HETATM 0 HBD1 HEC A 105 9.613 -0.317 3.896 1.00 0.63 H new HETATM 0 HBC3 HEC A 105 1.424 6.225 9.011 1.00 0.61 H new HETATM 0 HBC2 HEC A 105 2.574 5.068 9.723 1.00 0.61 H new HETATM 0 HBC1 HEC A 105 3.042 6.772 9.511 1.00 0.61 H new HETATM 0 HBB3 HEC A 105 -4.334 0.003 3.949 1.00 0.80 H new HETATM 0 HBB2 HEC A 105 -3.750 -0.130 5.625 1.00 0.80 H new HETATM 0 HBB1 HEC A 105 -5.059 1.009 5.226 1.00 0.80 H new HETATM 0 HBA2 HEC A 105 5.947 -0.150 0.380 1.00 0.72 H new HETATM 0 HBA1 HEC A 105 7.095 -1.470 0.291 1.00 0.72 H new HETATM 0 HAD2 HEC A 105 7.936 0.515 2.561 1.00 0.64 H new HETATM 0 HAD1 HEC A 105 8.624 2.032 3.105 1.00 0.64 H new HETATM 0 HAA2 HEC A 105 5.502 -2.854 1.088 1.00 0.44 H new HETATM 0 HAA1 HEC A 105 4.616 -2.631 -0.408 1.00 0.44 H new HETATM 0 HHD HEC A 105 4.977 4.414 6.146 1.00 0.22 H new HETATM 0 HHC HEC A 105 -1.136 2.722 6.272 1.00 0.28 H new HETATM 0 HHB HEC A 105 -0.021 -1.070 1.333 1.00 0.37 H new HETATM 0 HHA HEC A 105 6.164 -0.671 2.565 1.00 0.30 H new HETATM 1747 O HOH A 200 0.634 5.988 -2.153 1.00 0.00 O HETATM 1750 O HOH A 201 10.151 -3.851 3.598 1.00 0.00 O HETATM 1753 O HOH A 202 0.172 -3.143 12.210 1.00 0.00 O HETATM 1756 O HOH A 203 10.941 3.472 -2.832 1.00 0.00 O HETATM 1759 O HOH A 204 4.392 -8.471 -0.598 1.00 0.00 O HETATM 1762 O HOH A 205 -3.372 0.387 -2.652 1.00 0.00 O CONECT 225 1694 CONECT 262 1702 CONECT 276 1672 CONECT 1253 1672 CONECT 1672 276 1253 1677 1688 CONECT 1672 1696 1704 CONECT 1673 1678 1708 1715 CONECT 1674 1681 1689 1716 CONECT 1675 1692 1697 1717 CONECT 1676 1700 1705 1718 CONECT 1677 1672 1678 1681 CONECT 1678 1673 1677 1679 CONECT 1679 1678 1680 1683 CONECT 1680 1679 1681 1682 CONECT 1681 1674 1677 1680 CONECT 1682 1680 1719 1720 1721 CONECT 1683 1679 1684 1722 1723 CONECT 1684 1683 1685 1724 1725 CONECT 1685 1684 1686 1687 CONECT 1686 1685 CONECT 1687 1685 CONECT 1688 1672 1689 1692 CONECT 1689 1674 1688 1690 CONECT 1690 1689 1691 1693 CONECT 1691 1690 1692 1694 CONECT 1692 1675 1688 1691 CONECT 1693 1690 1726 1727 1728 CONECT 1694 225 1691 1695 1729 CONECT 1695 1694 1730 1731 1732 CONECT 1696 1672 1697 1700 CONECT 1697 1675 1696 1698 CONECT 1698 1697 1699 1701 CONECT 1699 1698 1700 1702 CONECT 1700 1676 1696 1699 CONECT 1701 1698 1733 1734 1735 CONECT 1702 262 1699 1703 1736 CONECT 1703 1702 1737 1738 1739 CONECT 1704 1672 1705 1708 CONECT 1705 1676 1704 1706 CONECT 1706 1705 1707 1709 CONECT 1707 1706 1708 1710 CONECT 1708 1673 1704 1707 CONECT 1709 1706 1740 1741 1742 CONECT 1710 1707 1711 1743 1744 CONECT 1711 1710 1712 1745 1746 CONECT 1712 1711 1713 1714 CONECT 1713 1712 CONECT 1714 1712 CONECT 1715 1673 CONECT 1716 1674 CONECT 1717 1675 CONECT 1718 1676 CONECT 1719 1682 CONECT 1720 1682 CONECT 1721 1682 CONECT 1722 1683 CONECT 1723 1683 CONECT 1724 1684 CONECT 1725 1684 CONECT 1726 1693 CONECT 1727 1693 CONECT 1728 1693 CONECT 1729 1694 CONECT 1730 1695 CONECT 1731 1695 CONECT 1732 1695 CONECT 1733 1701 CONECT 1734 1701 CONECT 1735 1701 CONECT 1736 1702 CONECT 1737 1703 CONECT 1738 1703 CONECT 1739 1703 CONECT 1740 1709 CONECT 1741 1709 CONECT 1742 1709 CONECT 1743 1710 CONECT 1744 1710 CONECT 1745 1711 CONECT 1746 1711 END