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 02-JUL-96 2FRC TITLE CYTOCHROME C (REDUCED) 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: REDUCED 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,D.L.DI STEFANO,A.J.WAND REVDAT 2 24-FEB-09 2FRC 1 VERSN REVDAT 1 29-JUL-97 2FRC 0 SPRSDE 29-JUL-97 2FRC 1FRC 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 A.J.WAND,D.L.DI STEFANO,Y.Q.FENG,H.RODER, REMARK 1 AUTH 2 S.W.ENGLANDER REMARK 1 TITL PROTON RESONANCE ASSIGNMENTS OF HORSE REMARK 1 TITL 2 FERROCYTOCHROME C REMARK 1 REF BIOCHEMISTRY V. 28 186 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 2FRC 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, NOESY, TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 600 MHZ REMARK 210 SPECTROMETER MODEL : AMX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : FELIX/DSPACE/XPLOR/ANCILL REMARK 210 METHOD USED : SIMMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 256 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 LYS A 8 -83.55 -82.17 REMARK 500 ILE A 9 -32.42 -39.73 REMARK 500 GLU A 21 -158.37 -150.05 REMARK 500 LYS A 25 95.95 -45.20 REMARK 500 HIS A 26 173.75 -55.38 REMARK 500 LYS A 27 -152.93 -135.36 REMARK 500 ASN A 31 97.91 -49.50 REMARK 500 LEU A 32 35.15 -76.59 REMARK 500 TYR A 48 158.84 -31.68 REMARK 500 ASP A 50 -31.63 -33.37 REMARK 500 LYS A 55 -95.52 -79.99 REMARK 500 ILE A 57 -164.76 -110.03 REMARK 500 GLU A 61 -42.76 -23.67 REMARK 500 ILE A 75 -62.43 -159.50 REMARK 500 PRO A 76 87.25 -43.51 REMARK 500 THR A 78 -85.65 -65.78 REMARK 500 ALA A 83 25.88 -170.18 REMARK 500 LYS A 86 -72.53 -48.43 REMARK 500 LYS A 87 -93.14 -74.98 REMARK 500 LYS A 88 -44.13 -179.73 REMARK 500 LYS A 99 -36.54 -34.05 REMARK 500 ALA A 101 -73.48 -61.58 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 0.09 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 161.4 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 2FRC 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 HNR LYS A 5 CYS A 14 1 10 HELIX 2 H5R THR A 49 ASN A 54 1 6 HELIX 3 H6R LYS A 60 THR A 63 5 4 HELIX 4 H7R THR A 63 ASN A 70 1 8 HELIX 5 HCR LYS A 88 ARG A 91 5 4 HELIX 6 HC2 ARG A 91 GLU A 104 1 14 LINK CAB HEC A 105 SG CYS A 14 1555 1555 1.81 LINK CAC HEC A 105 SG CYS A 17 1555 1555 1.80 LINK FE HEC A 105 NE2 HIS A 18 1555 1555 1.93 LINK FE HEC A 105 SD MET A 80 1555 1555 2.23 SITE *** AC1 24 LYS A 13 CYS A 14 CYS A 17 HIS A 18 SITE *** AC1 24 THR A 28 LEU A 32 LEU A 35 LYS A 39 SITE *** AC1 24 THR A 40 GLY A 41 PHE A 46 TYR A 48 SITE *** AC1 24 THR A 49 ASN A 52 TRP A 59 TYR A 67 SITE *** AC1 24 THR A 78 LYS A 79 MET A 80 ILE A 81 SITE *** AC1 24 PHE A 82 LEU A 94 HOH A 201 HOH A 203 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 26 HIS : no HD1:sc= -10.8! C(o=-19!,f=-17!) USER MOD Set 1.2: A 31 ASN : amide:sc= -6.12! C(o=-19!,f=-21!) USER MOD Set 1.3: A 33 HIS : no HD1:sc= -2.31! K(o=-19!,f=-17) 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= -0.0449 X(o=-0.045,f=-0.23) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.4!) USER MOD Single : A 19 THR OG1 : rot 35:sc= 0.628 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -4.16! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 61:sc= -3.69! USER MOD Single : A 42 GLN : amide:sc= -3.41! C(o=-3.4!,f=-4.6!) USER MOD Single : A 47 THR OG1 : rot 48:sc= 0.318 USER MOD Single : A 48 TYR OH : rot 60:sc= -3.89! USER MOD Single : A 49 THR OG1 : rot 93:sc= 0.0072 USER MOD Single : A 52 ASN : amide:sc= -18.4! C(o=-18!,f=-15!) USER MOD Single : A 53 LYS NZ :NH3+ -118:sc= -0.832 (180deg=-5.21!) USER MOD Single : A 54 ASN : amide:sc= -1.68! C(o=-1.7!,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 91:sc= -0.971! USER MOD Single : A 65 MET CE :methyl 169:sc= -1.04 (180deg=-1.47) USER MOD Single : A 67 TYR OH : rot -24:sc= -5.07! USER MOD Single : A 70 ASN : amide:sc= -2.1! C(o=-2.1!,f=-5.8!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 40:sc= 0.101 USER MOD Single : A 78 THR OG1 : rot -155:sc= -0.101! USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 157:sc= -13.6! (180deg=-14.7!) 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 USER MOD Single : A 97 TYR OH : rot 135:sc= -7.53! 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 149:sc= -1.13! USER MOD Single : A 103 ASN : amide:sc= -2.19! C(o=-2.2!,f=-8.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -1.275 -12.688 7.651 1.00 0.51 N ATOM 2 CA GLY A 1 -0.184 -11.700 7.422 1.00 0.27 C ATOM 3 C GLY A 1 1.110 -12.440 7.074 1.00 0.24 C ATOM 4 O GLY A 1 2.058 -12.441 7.833 1.00 0.28 O ATOM 0 H1 GLY A 1 -2.154 -12.186 7.887 1.00 0.51 H new ATOM 0 H2 GLY A 1 -1.419 -13.252 6.789 1.00 0.51 H new ATOM 0 H3 GLY A 1 -1.014 -13.317 8.437 1.00 0.51 H new ATOM 0 HA2 GLY A 1 -0.457 -11.022 6.613 1.00 0.27 H new ATOM 0 HA3 GLY A 1 -0.038 -11.090 8.314 1.00 0.27 H new ATOM 10 N ASP A 2 1.156 -13.068 5.931 1.00 0.23 N ATOM 11 CA ASP A 2 2.390 -13.805 5.536 1.00 0.23 C ATOM 12 C ASP A 2 3.421 -12.819 4.994 1.00 0.23 C ATOM 13 O ASP A 2 3.649 -12.760 3.807 1.00 0.30 O ATOM 14 CB ASP A 2 2.056 -14.821 4.438 1.00 0.26 C ATOM 15 CG ASP A 2 0.983 -15.787 4.942 1.00 0.38 C ATOM 16 OD1 ASP A 2 0.984 -16.077 6.127 1.00 1.20 O ATOM 17 OD2 ASP A 2 0.177 -16.221 4.135 1.00 1.07 O ATOM 0 H ASP A 2 0.394 -13.103 5.254 1.00 0.23 H new ATOM 0 HA ASP A 2 2.790 -14.322 6.408 1.00 0.23 H new ATOM 0 HB2 ASP A 2 1.704 -14.304 3.545 1.00 0.26 H new ATOM 0 HB3 ASP A 2 2.952 -15.373 4.154 1.00 0.26 H new ATOM 22 N VAL A 3 4.052 -12.053 5.847 1.00 0.21 N ATOM 23 CA VAL A 3 5.072 -11.083 5.362 1.00 0.21 C ATOM 24 C VAL A 3 5.933 -11.760 4.293 1.00 0.21 C ATOM 25 O VAL A 3 6.460 -11.116 3.408 1.00 0.23 O ATOM 26 CB VAL A 3 5.958 -10.648 6.529 1.00 0.23 C ATOM 27 CG1 VAL A 3 5.093 -10.096 7.664 1.00 0.74 C ATOM 28 CG2 VAL A 3 6.759 -11.848 7.035 1.00 0.72 C ATOM 0 H VAL A 3 3.903 -12.059 6.856 1.00 0.21 H new ATOM 0 HA VAL A 3 4.578 -10.208 4.939 1.00 0.21 H new ATOM 0 HB VAL A 3 6.641 -9.869 6.189 1.00 0.23 H new ATOM 0 HG11 VAL A 3 5.732 -9.788 8.492 1.00 0.74 H new ATOM 0 HG12 VAL A 3 4.526 -9.237 7.305 1.00 0.74 H new ATOM 0 HG13 VAL A 3 4.404 -10.869 8.005 1.00 0.74 H new ATOM 0 HG21 VAL A 3 7.391 -11.539 7.867 1.00 0.72 H new ATOM 0 HG22 VAL A 3 6.074 -12.627 7.369 1.00 0.72 H new ATOM 0 HG23 VAL A 3 7.383 -12.235 6.229 1.00 0.72 H new ATOM 38 N GLU A 4 6.069 -13.060 4.365 1.00 0.22 N ATOM 39 CA GLU A 4 6.883 -13.780 3.347 1.00 0.23 C ATOM 40 C GLU A 4 6.536 -13.235 1.966 1.00 0.23 C ATOM 41 O GLU A 4 7.383 -12.744 1.247 1.00 0.30 O ATOM 42 CB GLU A 4 6.567 -15.277 3.402 1.00 0.25 C ATOM 43 CG GLU A 4 7.242 -15.983 2.224 1.00 0.27 C ATOM 44 CD GLU A 4 7.789 -17.335 2.688 1.00 0.79 C ATOM 45 OE1 GLU A 4 6.992 -18.177 3.064 1.00 1.45 O ATOM 46 OE2 GLU A 4 8.997 -17.504 2.658 1.00 1.54 O ATOM 0 H GLU A 4 5.651 -13.650 5.084 1.00 0.22 H new ATOM 0 HA GLU A 4 7.944 -13.632 3.548 1.00 0.23 H new ATOM 0 HB2 GLU A 4 6.918 -15.700 4.343 1.00 0.25 H new ATOM 0 HB3 GLU A 4 5.489 -15.434 3.365 1.00 0.25 H new ATOM 0 HG2 GLU A 4 6.527 -16.126 1.413 1.00 0.27 H new ATOM 0 HG3 GLU A 4 8.050 -15.367 1.831 1.00 0.27 H new ATOM 53 N LYS A 5 5.290 -13.303 1.599 1.00 0.19 N ATOM 54 CA LYS A 5 4.876 -12.775 0.276 1.00 0.19 C ATOM 55 C LYS A 5 4.583 -11.286 0.409 1.00 0.17 C ATOM 56 O LYS A 5 4.725 -10.528 -0.524 1.00 0.16 O ATOM 57 CB LYS A 5 3.620 -13.497 -0.188 1.00 0.21 C ATOM 58 CG LYS A 5 3.429 -13.248 -1.682 1.00 0.21 C ATOM 59 CD LYS A 5 3.130 -14.574 -2.373 1.00 0.25 C ATOM 60 CE LYS A 5 4.400 -15.424 -2.406 1.00 0.32 C ATOM 61 NZ LYS A 5 4.346 -16.355 -3.568 1.00 0.76 N ATOM 0 H LYS A 5 4.539 -13.703 2.161 1.00 0.19 H new ATOM 0 HA LYS A 5 5.673 -12.933 -0.451 1.00 0.19 H new ATOM 0 HB2 LYS A 5 3.706 -14.566 0.008 1.00 0.21 H new ATOM 0 HB3 LYS A 5 2.753 -13.140 0.367 1.00 0.21 H new ATOM 0 HG2 LYS A 5 2.611 -12.546 -1.845 1.00 0.21 H new ATOM 0 HG3 LYS A 5 4.326 -12.797 -2.106 1.00 0.21 H new ATOM 0 HD2 LYS A 5 2.338 -15.103 -1.843 1.00 0.25 H new ATOM 0 HD3 LYS A 5 2.771 -14.396 -3.387 1.00 0.25 H new ATOM 0 HE2 LYS A 5 5.278 -14.782 -2.481 1.00 0.32 H new ATOM 0 HE3 LYS A 5 4.497 -15.988 -1.479 1.00 0.32 H new ATOM 0 HZ1 LYS A 5 5.210 -16.933 -3.590 1.00 0.76 H new ATOM 0 HZ2 LYS A 5 3.516 -16.976 -3.477 1.00 0.76 H new ATOM 0 HZ3 LYS A 5 4.274 -15.807 -4.449 1.00 0.76 H new ATOM 75 N GLY A 6 4.184 -10.853 1.568 1.00 0.17 N ATOM 76 CA GLY A 6 3.901 -9.409 1.750 1.00 0.17 C ATOM 77 C GLY A 6 5.055 -8.621 1.142 1.00 0.15 C ATOM 78 O GLY A 6 4.913 -7.993 0.117 1.00 0.16 O ATOM 0 H GLY A 6 4.042 -11.435 2.394 1.00 0.17 H new ATOM 0 HA2 GLY A 6 2.961 -9.141 1.267 1.00 0.17 H new ATOM 0 HA3 GLY A 6 3.794 -9.172 2.809 1.00 0.17 H new ATOM 82 N LYS A 7 6.201 -8.661 1.764 1.00 0.15 N ATOM 83 CA LYS A 7 7.372 -7.923 1.220 1.00 0.14 C ATOM 84 C LYS A 7 7.678 -8.426 -0.192 1.00 0.14 C ATOM 85 O LYS A 7 8.338 -7.763 -0.965 1.00 0.14 O ATOM 86 CB LYS A 7 8.587 -8.155 2.120 1.00 0.15 C ATOM 87 CG LYS A 7 9.035 -9.612 2.004 1.00 0.19 C ATOM 88 CD LYS A 7 9.840 -9.999 3.247 1.00 0.67 C ATOM 89 CE LYS A 7 11.070 -10.807 2.829 1.00 1.30 C ATOM 90 NZ LYS A 7 12.161 -10.602 3.823 1.00 1.96 N ATOM 0 H LYS A 7 6.376 -9.175 2.628 1.00 0.15 H new ATOM 0 HA LYS A 7 7.146 -6.857 1.186 1.00 0.14 H new ATOM 0 HB2 LYS A 7 9.400 -7.489 1.831 1.00 0.15 H new ATOM 0 HB3 LYS A 7 8.337 -7.921 3.155 1.00 0.15 H new ATOM 0 HG2 LYS A 7 8.167 -10.263 1.902 1.00 0.19 H new ATOM 0 HG3 LYS A 7 9.641 -9.747 1.108 1.00 0.19 H new ATOM 0 HD2 LYS A 7 10.147 -9.104 3.788 1.00 0.67 H new ATOM 0 HD3 LYS A 7 9.221 -10.585 3.926 1.00 0.67 H new ATOM 0 HE2 LYS A 7 10.818 -11.865 2.763 1.00 1.30 H new ATOM 0 HE3 LYS A 7 11.403 -10.496 1.839 1.00 1.30 H new ATOM 0 HZ1 LYS A 7 12.997 -11.151 3.539 1.00 1.96 H new ATOM 0 HZ2 LYS A 7 12.408 -9.593 3.865 1.00 1.96 H new ATOM 0 HZ3 LYS A 7 11.841 -10.919 4.760 1.00 1.96 H new ATOM 104 N LYS A 8 7.208 -9.596 -0.535 1.00 0.15 N ATOM 105 CA LYS A 8 7.480 -10.133 -1.900 1.00 0.17 C ATOM 106 C LYS A 8 6.481 -9.533 -2.891 1.00 0.16 C ATOM 107 O LYS A 8 6.780 -8.563 -3.548 1.00 0.15 O ATOM 108 CB LYS A 8 7.358 -11.660 -1.888 1.00 0.19 C ATOM 109 CG LYS A 8 8.629 -12.284 -2.466 1.00 0.25 C ATOM 110 CD LYS A 8 9.829 -11.913 -1.592 1.00 0.79 C ATOM 111 CE LYS A 8 9.782 -12.717 -0.292 1.00 1.05 C ATOM 112 NZ LYS A 8 11.008 -13.558 -0.184 1.00 1.52 N ATOM 0 H LYS A 8 6.650 -10.201 0.068 1.00 0.15 H new ATOM 0 HA LYS A 8 8.491 -9.863 -2.204 1.00 0.17 H new ATOM 0 HB2 LYS A 8 7.199 -12.014 -0.869 1.00 0.19 H new ATOM 0 HB3 LYS A 8 6.491 -11.970 -2.472 1.00 0.19 H new ATOM 0 HG2 LYS A 8 8.524 -13.368 -2.515 1.00 0.25 H new ATOM 0 HG3 LYS A 8 8.787 -11.933 -3.486 1.00 0.25 H new ATOM 0 HD2 LYS A 8 10.758 -12.118 -2.125 1.00 0.79 H new ATOM 0 HD3 LYS A 8 9.816 -10.845 -1.372 1.00 0.79 H new ATOM 0 HE2 LYS A 8 9.713 -12.044 0.562 1.00 1.05 H new ATOM 0 HE3 LYS A 8 8.893 -13.347 -0.273 1.00 1.05 H new ATOM 0 HZ1 LYS A 8 10.977 -14.105 0.700 1.00 1.52 H new ATOM 0 HZ2 LYS A 8 11.054 -14.210 -0.993 1.00 1.52 H new ATOM 0 HZ3 LYS A 8 11.849 -12.947 -0.183 1.00 1.52 H new ATOM 126 N ILE A 9 5.300 -10.093 -2.998 1.00 0.16 N ATOM 127 CA ILE A 9 4.283 -9.542 -3.941 1.00 0.16 C ATOM 128 C ILE A 9 4.346 -8.015 -3.888 1.00 0.15 C ATOM 129 O ILE A 9 4.144 -7.339 -4.878 1.00 0.15 O ATOM 130 CB ILE A 9 2.896 -10.033 -3.512 1.00 0.17 C ATOM 131 CG1 ILE A 9 2.674 -11.449 -4.050 1.00 0.21 C ATOM 132 CG2 ILE A 9 1.809 -9.107 -4.067 1.00 0.19 C ATOM 133 CD1 ILE A 9 2.527 -11.400 -5.572 1.00 0.67 C ATOM 0 H ILE A 9 4.998 -10.911 -2.469 1.00 0.16 H new ATOM 0 HA ILE A 9 4.479 -9.875 -4.960 1.00 0.16 H new ATOM 0 HB ILE A 9 2.841 -10.033 -2.423 1.00 0.17 H new ATOM 0 HG12 ILE A 9 3.512 -12.089 -3.776 1.00 0.21 H new ATOM 0 HG13 ILE A 9 1.781 -11.884 -3.602 1.00 0.21 H new ATOM 0 HG21 ILE A 9 0.829 -9.468 -3.754 1.00 0.19 H new ATOM 0 HG22 ILE A 9 1.962 -8.097 -3.686 1.00 0.19 H new ATOM 0 HG23 ILE A 9 1.861 -9.096 -5.156 1.00 0.19 H new ATOM 0 HD11 ILE A 9 2.369 -12.408 -5.955 1.00 0.67 H new ATOM 0 HD12 ILE A 9 1.674 -10.774 -5.835 1.00 0.67 H new ATOM 0 HD13 ILE A 9 3.433 -10.983 -6.012 1.00 0.67 H new ATOM 145 N PHE A 10 4.666 -7.469 -2.746 1.00 0.15 N ATOM 146 CA PHE A 10 4.786 -5.991 -2.644 1.00 0.14 C ATOM 147 C PHE A 10 6.009 -5.570 -3.457 1.00 0.14 C ATOM 148 O PHE A 10 5.923 -4.822 -4.408 1.00 0.16 O ATOM 149 CB PHE A 10 5.000 -5.569 -1.177 1.00 0.15 C ATOM 150 CG PHE A 10 5.652 -4.210 -1.148 1.00 0.13 C ATOM 151 CD1 PHE A 10 4.892 -3.058 -1.368 1.00 0.12 C ATOM 152 CD2 PHE A 10 7.028 -4.115 -0.939 1.00 0.13 C ATOM 153 CE1 PHE A 10 5.516 -1.802 -1.376 1.00 0.11 C ATOM 154 CE2 PHE A 10 7.649 -2.863 -0.950 1.00 0.12 C ATOM 155 CZ PHE A 10 6.893 -1.708 -1.171 1.00 0.11 C ATOM 0 H PHE A 10 4.848 -7.982 -1.884 1.00 0.15 H new ATOM 0 HA PHE A 10 3.876 -5.520 -3.016 1.00 0.14 H new ATOM 0 HB2 PHE A 10 4.046 -5.540 -0.650 1.00 0.15 H new ATOM 0 HB3 PHE A 10 5.626 -6.298 -0.663 1.00 0.15 H new ATOM 0 HD1 PHE A 10 3.827 -3.135 -1.531 1.00 0.12 H new ATOM 0 HD2 PHE A 10 7.612 -5.007 -0.769 1.00 0.13 H new ATOM 0 HE1 PHE A 10 4.932 -0.909 -1.541 1.00 0.11 H new ATOM 0 HE2 PHE A 10 8.714 -2.788 -0.788 1.00 0.12 H new ATOM 0 HZ PHE A 10 7.375 -0.742 -1.183 1.00 0.11 H new ATOM 165 N VAL A 11 7.154 -6.052 -3.067 1.00 0.13 N ATOM 166 CA VAL A 11 8.405 -5.691 -3.780 1.00 0.14 C ATOM 167 C VAL A 11 8.461 -6.375 -5.147 1.00 0.16 C ATOM 168 O VAL A 11 9.441 -6.278 -5.859 1.00 0.17 O ATOM 169 CB VAL A 11 9.604 -6.124 -2.940 1.00 0.14 C ATOM 170 CG1 VAL A 11 9.810 -7.637 -3.061 1.00 0.16 C ATOM 171 CG2 VAL A 11 10.849 -5.398 -3.442 1.00 0.15 C ATOM 0 H VAL A 11 7.276 -6.686 -2.277 1.00 0.13 H new ATOM 0 HA VAL A 11 8.428 -4.612 -3.932 1.00 0.14 H new ATOM 0 HB VAL A 11 9.424 -5.875 -1.894 1.00 0.14 H new ATOM 0 HG11 VAL A 11 10.667 -7.937 -2.459 1.00 0.16 H new ATOM 0 HG12 VAL A 11 8.919 -8.155 -2.707 1.00 0.16 H new ATOM 0 HG13 VAL A 11 9.991 -7.897 -4.104 1.00 0.16 H new ATOM 0 HG21 VAL A 11 11.711 -5.701 -2.848 1.00 0.15 H new ATOM 0 HG22 VAL A 11 11.022 -5.652 -4.488 1.00 0.15 H new ATOM 0 HG23 VAL A 11 10.705 -4.322 -3.349 1.00 0.15 H new ATOM 181 N GLN A 12 7.423 -7.056 -5.527 1.00 0.16 N ATOM 182 CA GLN A 12 7.422 -7.720 -6.850 1.00 0.17 C ATOM 183 C GLN A 12 6.893 -6.715 -7.867 1.00 0.18 C ATOM 184 O GLN A 12 7.590 -6.294 -8.769 1.00 0.19 O ATOM 185 CB GLN A 12 6.514 -8.949 -6.791 1.00 0.18 C ATOM 186 CG GLN A 12 7.060 -9.925 -5.745 1.00 0.18 C ATOM 187 CD GLN A 12 7.686 -11.131 -6.449 1.00 0.21 C ATOM 188 OE1 GLN A 12 7.054 -11.764 -7.271 1.00 1.08 O ATOM 189 NE2 GLN A 12 8.910 -11.478 -6.158 1.00 1.15 N ATOM 0 H GLN A 12 6.574 -7.181 -4.976 1.00 0.16 H new ATOM 0 HA GLN A 12 8.424 -8.044 -7.133 1.00 0.17 H new ATOM 0 HB2 GLN A 12 5.497 -8.653 -6.535 1.00 0.18 H new ATOM 0 HB3 GLN A 12 6.469 -9.431 -7.768 1.00 0.18 H new ATOM 0 HG2 GLN A 12 7.804 -9.428 -5.122 1.00 0.18 H new ATOM 0 HG3 GLN A 12 6.258 -10.253 -5.084 1.00 0.18 H new ATOM 0 HE21 GLN A 12 9.440 -10.946 -5.468 1.00 1.15 H new ATOM 0 HE22 GLN A 12 9.336 -12.281 -6.621 1.00 1.15 H new ATOM 198 N LYS A 13 5.667 -6.306 -7.706 1.00 0.18 N ATOM 199 CA LYS A 13 5.083 -5.300 -8.635 1.00 0.19 C ATOM 200 C LYS A 13 5.121 -3.928 -7.970 1.00 0.18 C ATOM 201 O LYS A 13 5.347 -2.918 -8.607 1.00 0.20 O ATOM 202 CB LYS A 13 3.628 -5.643 -8.947 1.00 0.20 C ATOM 203 CG LYS A 13 3.291 -7.055 -8.459 1.00 0.55 C ATOM 204 CD LYS A 13 2.167 -7.637 -9.320 1.00 1.25 C ATOM 205 CE LYS A 13 1.743 -8.994 -8.754 1.00 1.64 C ATOM 206 NZ LYS A 13 1.400 -9.914 -9.874 1.00 2.26 N ATOM 0 H LYS A 13 5.041 -6.627 -6.967 1.00 0.18 H new ATOM 0 HA LYS A 13 5.661 -5.299 -9.559 1.00 0.19 H new ATOM 0 HB2 LYS A 13 2.968 -4.920 -8.469 1.00 0.20 H new ATOM 0 HB3 LYS A 13 3.454 -5.572 -10.021 1.00 0.20 H new ATOM 0 HG2 LYS A 13 4.174 -7.691 -8.516 1.00 0.55 H new ATOM 0 HG3 LYS A 13 2.985 -7.027 -7.413 1.00 0.55 H new ATOM 0 HD2 LYS A 13 1.316 -6.956 -9.336 1.00 1.25 H new ATOM 0 HD3 LYS A 13 2.505 -7.750 -10.350 1.00 1.25 H new ATOM 0 HE2 LYS A 13 2.549 -9.418 -8.155 1.00 1.64 H new ATOM 0 HE3 LYS A 13 0.885 -8.872 -8.093 1.00 1.64 H new ATOM 0 HZ1 LYS A 13 1.112 -10.836 -9.490 1.00 2.26 H new ATOM 0 HZ2 LYS A 13 0.618 -9.510 -10.428 1.00 2.26 H new ATOM 0 HZ3 LYS A 13 2.230 -10.039 -10.487 1.00 2.26 H new ATOM 220 N CYS A 14 4.883 -3.888 -6.690 1.00 0.16 N ATOM 221 CA CYS A 14 4.882 -2.588 -5.966 1.00 0.16 C ATOM 222 C CYS A 14 6.313 -2.149 -5.715 1.00 0.17 C ATOM 223 O CYS A 14 6.566 -1.046 -5.326 1.00 0.33 O ATOM 224 CB CYS A 14 4.131 -2.743 -4.643 1.00 0.13 C ATOM 225 SG CYS A 14 2.687 -3.796 -4.936 1.00 0.23 S ATOM 0 H CYS A 14 4.688 -4.705 -6.111 1.00 0.16 H new ATOM 0 HA CYS A 14 4.382 -1.829 -6.568 1.00 0.16 H new ATOM 0 HB2 CYS A 14 4.779 -3.187 -3.887 1.00 0.13 H new ATOM 0 HB3 CYS A 14 3.821 -1.769 -4.265 1.00 0.13 H new ATOM 230 N ALA A 15 7.263 -2.987 -5.951 1.00 0.16 N ATOM 231 CA ALA A 15 8.661 -2.552 -5.727 1.00 0.15 C ATOM 232 C ALA A 15 8.991 -1.449 -6.724 1.00 0.16 C ATOM 233 O ALA A 15 9.784 -0.565 -6.468 1.00 0.25 O ATOM 234 CB ALA A 15 9.596 -3.727 -5.976 1.00 0.16 C ATOM 0 H ALA A 15 7.142 -3.943 -6.285 1.00 0.16 H new ATOM 0 HA ALA A 15 8.780 -2.192 -4.705 1.00 0.15 H new ATOM 0 HB1 ALA A 15 10.627 -3.413 -5.813 1.00 0.16 H new ATOM 0 HB2 ALA A 15 9.351 -4.538 -5.291 1.00 0.16 H new ATOM 0 HB3 ALA A 15 9.481 -4.072 -7.003 1.00 0.16 H new ATOM 240 N GLN A 16 8.389 -1.522 -7.870 1.00 0.15 N ATOM 241 CA GLN A 16 8.641 -0.519 -8.933 1.00 0.16 C ATOM 242 C GLN A 16 8.215 0.874 -8.468 1.00 0.16 C ATOM 243 O GLN A 16 9.031 1.752 -8.269 1.00 0.20 O ATOM 244 CB GLN A 16 7.831 -0.933 -10.163 1.00 0.17 C ATOM 245 CG GLN A 16 8.010 -2.440 -10.375 1.00 0.19 C ATOM 246 CD GLN A 16 7.687 -2.792 -11.829 1.00 0.27 C ATOM 247 OE1 GLN A 16 7.973 -2.029 -12.729 1.00 1.06 O ATOM 248 NE2 GLN A 16 7.099 -3.926 -12.097 1.00 1.17 N ATOM 0 H GLN A 16 7.719 -2.249 -8.121 1.00 0.15 H new ATOM 0 HA GLN A 16 9.704 -0.480 -9.169 1.00 0.16 H new ATOM 0 HB2 GLN A 16 6.777 -0.692 -10.022 1.00 0.17 H new ATOM 0 HB3 GLN A 16 8.168 -0.384 -11.042 1.00 0.17 H new ATOM 0 HG2 GLN A 16 9.033 -2.733 -10.137 1.00 0.19 H new ATOM 0 HG3 GLN A 16 7.355 -2.993 -9.702 1.00 0.19 H new ATOM 0 HE21 GLN A 16 6.859 -4.567 -11.341 1.00 1.17 H new ATOM 0 HE22 GLN A 16 6.880 -4.171 -13.063 1.00 1.17 H new ATOM 257 N CYS A 17 6.943 1.085 -8.311 1.00 0.15 N ATOM 258 CA CYS A 17 6.451 2.425 -7.878 1.00 0.18 C ATOM 259 C CYS A 17 6.607 2.581 -6.364 1.00 0.15 C ATOM 260 O CYS A 17 6.478 3.662 -5.832 1.00 0.21 O ATOM 261 CB CYS A 17 4.968 2.559 -8.246 1.00 0.22 C ATOM 262 SG CYS A 17 4.650 1.693 -9.797 1.00 0.28 S ATOM 0 H CYS A 17 6.216 0.386 -8.464 1.00 0.15 H new ATOM 0 HA CYS A 17 7.034 3.198 -8.379 1.00 0.18 H new ATOM 0 HB2 CYS A 17 4.347 2.144 -7.452 1.00 0.22 H new ATOM 0 HB3 CYS A 17 4.700 3.611 -8.344 1.00 0.22 H new ATOM 267 N HIS A 18 6.868 1.513 -5.665 1.00 0.15 N ATOM 268 CA HIS A 18 7.000 1.616 -4.181 1.00 0.13 C ATOM 269 C HIS A 18 8.335 1.067 -3.692 1.00 0.13 C ATOM 270 O HIS A 18 8.378 0.249 -2.795 1.00 0.17 O ATOM 271 CB HIS A 18 5.873 0.834 -3.498 1.00 0.15 C ATOM 272 CG HIS A 18 4.571 1.540 -3.716 1.00 0.14 C ATOM 273 ND1 HIS A 18 4.329 2.823 -3.251 1.00 0.13 N ATOM 274 CD2 HIS A 18 3.426 1.144 -4.343 1.00 0.20 C ATOM 275 CE1 HIS A 18 3.074 3.150 -3.606 1.00 0.14 C ATOM 276 NE2 HIS A 18 2.477 2.161 -4.275 1.00 0.18 N ATOM 0 H HIS A 18 6.995 0.578 -6.051 1.00 0.15 H new ATOM 0 HA HIS A 18 6.941 2.674 -3.925 1.00 0.13 H new ATOM 0 HB2 HIS A 18 5.822 -0.178 -3.901 1.00 0.15 H new ATOM 0 HB3 HIS A 18 6.075 0.742 -2.431 1.00 0.15 H new ATOM 0 HD1 HIS A 18 4.983 3.411 -2.734 1.00 0.13 H new ATOM 0 HD2 HIS A 18 3.278 0.186 -4.820 1.00 0.20 H new ATOM 0 HE1 HIS A 18 2.606 4.096 -3.378 1.00 0.14 H new ATOM 284 N THR A 19 9.431 1.524 -4.225 1.00 0.16 N ATOM 285 CA THR A 19 10.728 1.022 -3.708 1.00 0.17 C ATOM 286 C THR A 19 10.802 1.400 -2.242 1.00 0.15 C ATOM 287 O THR A 19 10.814 2.559 -1.878 1.00 0.16 O ATOM 288 CB THR A 19 11.897 1.646 -4.460 1.00 0.21 C ATOM 289 OG1 THR A 19 11.781 3.062 -4.427 1.00 0.25 O ATOM 290 CG2 THR A 19 11.895 1.161 -5.910 1.00 0.29 C ATOM 0 H THR A 19 9.485 2.208 -4.980 1.00 0.16 H new ATOM 0 HA THR A 19 10.791 -0.058 -3.844 1.00 0.17 H new ATOM 0 HB THR A 19 12.832 1.349 -3.985 1.00 0.21 H new ATOM 0 HG1 THR A 19 11.403 3.339 -3.566 1.00 0.25 H new ATOM 0 HG21 THR A 19 12.732 1.609 -6.445 1.00 0.29 H new ATOM 0 HG22 THR A 19 11.991 0.075 -5.931 1.00 0.29 H new ATOM 0 HG23 THR A 19 10.961 1.452 -6.390 1.00 0.29 H new ATOM 298 N VAL A 20 10.820 0.422 -1.402 1.00 0.14 N ATOM 299 CA VAL A 20 10.857 0.690 0.051 1.00 0.13 C ATOM 300 C VAL A 20 12.286 1.023 0.479 1.00 0.16 C ATOM 301 O VAL A 20 13.085 0.160 0.786 1.00 0.36 O ATOM 302 CB VAL A 20 10.321 -0.544 0.773 1.00 0.13 C ATOM 303 CG1 VAL A 20 11.036 -0.748 2.105 1.00 0.16 C ATOM 304 CG2 VAL A 20 8.818 -0.365 1.016 1.00 0.12 C ATOM 0 H VAL A 20 10.811 -0.565 -1.660 1.00 0.14 H new ATOM 0 HA VAL A 20 10.236 1.548 0.307 1.00 0.13 H new ATOM 0 HB VAL A 20 10.499 -1.422 0.153 1.00 0.13 H new ATOM 0 HG11 VAL A 20 10.637 -1.633 2.600 1.00 0.16 H new ATOM 0 HG12 VAL A 20 12.103 -0.881 1.928 1.00 0.16 H new ATOM 0 HG13 VAL A 20 10.880 0.125 2.739 1.00 0.16 H new ATOM 0 HG21 VAL A 20 8.426 -1.242 1.531 1.00 0.12 H new ATOM 0 HG22 VAL A 20 8.651 0.521 1.629 1.00 0.12 H new ATOM 0 HG23 VAL A 20 8.307 -0.247 0.061 1.00 0.12 H new ATOM 314 N GLU A 21 12.592 2.281 0.503 1.00 0.24 N ATOM 315 CA GLU A 21 13.950 2.731 0.913 1.00 0.26 C ATOM 316 C GLU A 21 13.832 4.115 1.555 1.00 0.42 C ATOM 317 O GLU A 21 12.775 4.506 2.010 1.00 0.63 O ATOM 318 CB GLU A 21 14.856 2.809 -0.318 1.00 0.39 C ATOM 319 CG GLU A 21 16.025 1.837 -0.155 1.00 1.39 C ATOM 320 CD GLU A 21 16.850 1.809 -1.443 1.00 1.79 C ATOM 321 OE1 GLU A 21 16.379 2.339 -2.436 1.00 2.30 O ATOM 322 OE2 GLU A 21 17.938 1.258 -1.415 1.00 2.34 O ATOM 0 H GLU A 21 11.951 3.033 0.252 1.00 0.24 H new ATOM 0 HA GLU A 21 14.379 2.026 1.625 1.00 0.26 H new ATOM 0 HB2 GLU A 21 14.289 2.564 -1.216 1.00 0.39 H new ATOM 0 HB3 GLU A 21 15.229 3.825 -0.444 1.00 0.39 H new ATOM 0 HG2 GLU A 21 16.651 2.142 0.684 1.00 1.39 H new ATOM 0 HG3 GLU A 21 15.652 0.838 0.072 1.00 1.39 H new ATOM 329 N LYS A 22 14.898 4.866 1.592 1.00 0.46 N ATOM 330 CA LYS A 22 14.820 6.223 2.202 1.00 0.62 C ATOM 331 C LYS A 22 13.721 7.025 1.501 1.00 0.71 C ATOM 332 O LYS A 22 13.786 7.275 0.314 1.00 1.45 O ATOM 333 CB LYS A 22 16.163 6.938 2.035 1.00 0.79 C ATOM 334 CG LYS A 22 16.577 7.563 3.369 1.00 1.08 C ATOM 335 CD LYS A 22 17.833 8.412 3.168 1.00 1.65 C ATOM 336 CE LYS A 22 18.054 9.295 4.398 1.00 2.30 C ATOM 337 NZ LYS A 22 19.403 9.022 4.969 1.00 2.97 N ATOM 0 H LYS A 22 15.814 4.601 1.229 1.00 0.46 H new ATOM 0 HA LYS A 22 14.590 6.136 3.264 1.00 0.62 H new ATOM 0 HB2 LYS A 22 16.924 6.233 1.700 1.00 0.79 H new ATOM 0 HB3 LYS A 22 16.084 7.709 1.269 1.00 0.79 H new ATOM 0 HG2 LYS A 22 15.768 8.179 3.760 1.00 1.08 H new ATOM 0 HG3 LYS A 22 16.767 6.782 4.105 1.00 1.08 H new ATOM 0 HD2 LYS A 22 18.698 7.768 3.009 1.00 1.65 H new ATOM 0 HD3 LYS A 22 17.728 9.031 2.277 1.00 1.65 H new ATOM 0 HE2 LYS A 22 17.969 10.347 4.124 1.00 2.30 H new ATOM 0 HE3 LYS A 22 17.285 9.097 5.144 1.00 2.30 H new ATOM 0 HZ1 LYS A 22 19.554 9.622 5.805 1.00 2.97 H new ATOM 0 HZ2 LYS A 22 19.467 8.021 5.245 1.00 2.97 H new ATOM 0 HZ3 LYS A 22 20.131 9.232 4.256 1.00 2.97 H new ATOM 351 N GLY A 23 12.709 7.423 2.226 1.00 0.51 N ATOM 352 CA GLY A 23 11.600 8.204 1.603 1.00 0.50 C ATOM 353 C GLY A 23 12.179 9.239 0.634 1.00 0.66 C ATOM 354 O GLY A 23 12.304 8.992 -0.549 1.00 1.52 O ATOM 0 H GLY A 23 12.602 7.241 3.224 1.00 0.51 H new ATOM 0 HA2 GLY A 23 10.923 7.534 1.073 1.00 0.50 H new ATOM 0 HA3 GLY A 23 11.014 8.702 2.376 1.00 0.50 H new ATOM 358 N GLY A 24 12.533 10.395 1.124 1.00 0.59 N ATOM 359 CA GLY A 24 13.102 11.440 0.227 1.00 0.57 C ATOM 360 C GLY A 24 12.074 11.807 -0.841 1.00 0.46 C ATOM 361 O GLY A 24 10.930 11.407 -0.771 1.00 0.43 O ATOM 0 H GLY A 24 12.453 10.661 2.105 1.00 0.59 H new ATOM 0 HA2 GLY A 24 13.373 12.323 0.806 1.00 0.57 H new ATOM 0 HA3 GLY A 24 14.015 11.074 -0.242 1.00 0.57 H new ATOM 365 N LYS A 25 12.472 12.560 -1.832 1.00 0.48 N ATOM 366 CA LYS A 25 11.510 12.940 -2.904 1.00 0.48 C ATOM 367 C LYS A 25 10.724 11.697 -3.314 1.00 0.40 C ATOM 368 O LYS A 25 11.172 10.897 -4.112 1.00 0.44 O ATOM 369 CB LYS A 25 12.274 13.489 -4.111 1.00 0.60 C ATOM 370 CG LYS A 25 12.154 15.014 -4.142 1.00 1.22 C ATOM 371 CD LYS A 25 12.803 15.550 -5.419 1.00 1.64 C ATOM 372 CE LYS A 25 13.410 16.928 -5.143 1.00 2.38 C ATOM 373 NZ LYS A 25 14.840 16.933 -5.560 1.00 3.06 N ATOM 0 H LYS A 25 13.417 12.926 -1.944 1.00 0.48 H new ATOM 0 HA LYS A 25 10.828 13.708 -2.539 1.00 0.48 H new ATOM 0 HB2 LYS A 25 13.323 13.197 -4.054 1.00 0.60 H new ATOM 0 HB3 LYS A 25 11.874 13.064 -5.032 1.00 0.60 H new ATOM 0 HG2 LYS A 25 11.105 15.308 -4.103 1.00 1.22 H new ATOM 0 HG3 LYS A 25 12.638 15.446 -3.266 1.00 1.22 H new ATOM 0 HD2 LYS A 25 13.576 14.863 -5.763 1.00 1.64 H new ATOM 0 HD3 LYS A 25 12.061 15.620 -6.215 1.00 1.64 H new ATOM 0 HE2 LYS A 25 12.859 17.695 -5.686 1.00 2.38 H new ATOM 0 HE3 LYS A 25 13.328 17.167 -4.083 1.00 2.38 H new ATOM 0 HZ1 LYS A 25 15.253 17.869 -5.373 1.00 3.06 H new ATOM 0 HZ2 LYS A 25 15.361 16.211 -5.023 1.00 3.06 H new ATOM 0 HZ3 LYS A 25 14.906 16.723 -6.576 1.00 3.06 H new ATOM 387 N HIS A 26 9.564 11.520 -2.755 1.00 0.33 N ATOM 388 CA HIS A 26 8.747 10.322 -3.081 1.00 0.26 C ATOM 389 C HIS A 26 8.518 10.225 -4.590 1.00 0.28 C ATOM 390 O HIS A 26 8.872 11.110 -5.343 1.00 0.37 O ATOM 391 CB HIS A 26 7.403 10.431 -2.370 1.00 0.27 C ATOM 392 CG HIS A 26 7.517 9.789 -1.021 1.00 0.25 C ATOM 393 ND1 HIS A 26 8.079 8.536 -0.851 1.00 0.20 N ATOM 394 CD2 HIS A 26 7.141 10.206 0.228 1.00 0.33 C ATOM 395 CE1 HIS A 26 8.022 8.241 0.457 1.00 0.23 C ATOM 396 NE2 HIS A 26 7.459 9.226 1.164 1.00 0.31 N ATOM 0 H HIS A 26 9.143 12.159 -2.081 1.00 0.33 H new ATOM 0 HA HIS A 26 9.276 9.428 -2.751 1.00 0.26 H new ATOM 0 HB2 HIS A 26 7.114 11.477 -2.267 1.00 0.27 H new ATOM 0 HB3 HIS A 26 6.625 9.942 -2.956 1.00 0.27 H new ATOM 0 HD2 HIS A 26 6.670 11.151 0.453 1.00 0.33 H new ATOM 0 HE1 HIS A 26 8.387 7.320 0.886 1.00 0.23 H new ATOM 0 HE2 HIS A 26 7.298 9.253 2.171 1.00 0.31 H new ATOM 404 N LYS A 27 7.921 9.151 -5.032 1.00 0.25 N ATOM 405 CA LYS A 27 7.657 8.986 -6.490 1.00 0.28 C ATOM 406 C LYS A 27 6.229 8.473 -6.687 1.00 0.22 C ATOM 407 O LYS A 27 5.359 8.707 -5.871 1.00 0.23 O ATOM 408 CB LYS A 27 8.648 7.979 -7.077 1.00 0.31 C ATOM 409 CG LYS A 27 10.066 8.334 -6.625 1.00 1.08 C ATOM 410 CD LYS A 27 11.038 8.137 -7.790 1.00 1.50 C ATOM 411 CE LYS A 27 12.109 7.119 -7.394 1.00 1.97 C ATOM 412 NZ LYS A 27 13.302 7.285 -8.271 1.00 2.67 N ATOM 0 H LYS A 27 7.604 8.379 -4.445 1.00 0.25 H new ATOM 0 HA LYS A 27 7.775 9.945 -6.995 1.00 0.28 H new ATOM 0 HB2 LYS A 27 8.393 6.970 -6.752 1.00 0.31 H new ATOM 0 HB3 LYS A 27 8.589 7.987 -8.165 1.00 0.31 H new ATOM 0 HG2 LYS A 27 10.101 9.367 -6.279 1.00 1.08 H new ATOM 0 HG3 LYS A 27 10.359 7.706 -5.783 1.00 1.08 H new ATOM 0 HD2 LYS A 27 10.500 7.790 -8.672 1.00 1.50 H new ATOM 0 HD3 LYS A 27 11.504 9.087 -8.054 1.00 1.50 H new ATOM 0 HE2 LYS A 27 12.390 7.258 -6.350 1.00 1.97 H new ATOM 0 HE3 LYS A 27 11.715 6.107 -7.486 1.00 1.97 H new ATOM 0 HZ1 LYS A 27 14.030 6.593 -8.002 1.00 2.67 H new ATOM 0 HZ2 LYS A 27 13.028 7.131 -9.262 1.00 2.67 H new ATOM 0 HZ3 LYS A 27 13.682 8.247 -8.162 1.00 2.67 H new ATOM 426 N THR A 28 5.977 7.773 -7.760 1.00 0.18 N ATOM 427 CA THR A 28 4.601 7.249 -7.994 1.00 0.17 C ATOM 428 C THR A 28 4.138 6.480 -6.756 1.00 0.15 C ATOM 429 O THR A 28 2.962 6.410 -6.458 1.00 0.21 O ATOM 430 CB THR A 28 4.604 6.312 -9.206 1.00 0.20 C ATOM 431 OG1 THR A 28 3.498 5.425 -9.120 1.00 0.55 O ATOM 432 CG2 THR A 28 5.902 5.505 -9.232 1.00 0.52 C ATOM 0 H THR A 28 6.660 7.542 -8.481 1.00 0.18 H new ATOM 0 HA THR A 28 3.923 8.081 -8.185 1.00 0.17 H new ATOM 0 HB THR A 28 4.529 6.903 -10.119 1.00 0.20 H new ATOM 0 HG1 THR A 28 3.498 4.826 -9.896 1.00 0.55 H new ATOM 0 HG21 THR A 28 5.900 4.840 -10.096 1.00 0.52 H new ATOM 0 HG22 THR A 28 6.752 6.184 -9.299 1.00 0.52 H new ATOM 0 HG23 THR A 28 5.981 4.914 -8.319 1.00 0.52 H new ATOM 440 N GLY A 29 5.057 5.902 -6.032 1.00 0.15 N ATOM 441 CA GLY A 29 4.674 5.137 -4.812 1.00 0.16 C ATOM 442 C GLY A 29 5.744 5.342 -3.726 1.00 0.14 C ATOM 443 O GLY A 29 6.878 4.941 -3.899 1.00 0.16 O ATOM 0 H GLY A 29 6.057 5.927 -6.233 1.00 0.15 H new ATOM 0 HA2 GLY A 29 3.702 5.472 -4.449 1.00 0.16 H new ATOM 0 HA3 GLY A 29 4.578 4.077 -5.049 1.00 0.16 H new ATOM 447 N PRO A 30 5.353 5.964 -2.639 1.00 0.13 N ATOM 448 CA PRO A 30 6.263 6.242 -1.511 1.00 0.12 C ATOM 449 C PRO A 30 6.542 4.965 -0.733 1.00 0.11 C ATOM 450 O PRO A 30 5.675 4.129 -0.576 1.00 0.11 O ATOM 451 CB PRO A 30 5.476 7.211 -0.620 1.00 0.14 C ATOM 452 CG PRO A 30 4.005 7.146 -1.076 1.00 0.16 C ATOM 453 CD PRO A 30 3.978 6.450 -2.444 1.00 0.17 C ATOM 0 HA PRO A 30 7.221 6.643 -1.843 1.00 0.12 H new ATOM 0 HB2 PRO A 30 5.567 6.931 0.429 1.00 0.14 H new ATOM 0 HB3 PRO A 30 5.865 8.225 -0.715 1.00 0.14 H new ATOM 0 HG2 PRO A 30 3.403 6.595 -0.353 1.00 0.16 H new ATOM 0 HG3 PRO A 30 3.581 8.147 -1.147 1.00 0.16 H new ATOM 0 HD2 PRO A 30 3.261 5.629 -2.457 1.00 0.17 H new ATOM 0 HD3 PRO A 30 3.686 7.141 -3.235 1.00 0.17 H new ATOM 461 N ASN A 31 7.731 4.816 -0.215 1.00 0.12 N ATOM 462 CA ASN A 31 8.029 3.596 0.572 1.00 0.12 C ATOM 463 C ASN A 31 6.912 3.414 1.586 1.00 0.11 C ATOM 464 O ASN A 31 6.880 4.049 2.621 1.00 0.12 O ATOM 465 CB ASN A 31 9.374 3.741 1.259 1.00 0.15 C ATOM 466 CG ASN A 31 9.333 4.896 2.262 1.00 0.54 C ATOM 467 OD1 ASN A 31 8.439 5.717 2.226 1.00 1.22 O ATOM 468 ND2 ASN A 31 10.274 4.997 3.160 1.00 1.19 N ATOM 0 H ASN A 31 8.499 5.481 -0.304 1.00 0.12 H new ATOM 0 HA ASN A 31 8.083 2.720 -0.074 1.00 0.12 H new ATOM 0 HB2 ASN A 31 9.631 2.814 1.771 1.00 0.15 H new ATOM 0 HB3 ASN A 31 10.152 3.921 0.517 1.00 0.15 H new ATOM 0 HD21 ASN A 31 10.258 5.765 3.831 1.00 1.19 H new ATOM 0 HD22 ASN A 31 11.025 4.308 3.191 1.00 1.19 H new ATOM 475 N LEU A 32 5.965 2.573 1.264 1.00 0.11 N ATOM 476 CA LEU A 32 4.807 2.362 2.179 1.00 0.11 C ATOM 477 C LEU A 32 5.184 1.483 3.372 1.00 0.11 C ATOM 478 O LEU A 32 4.368 0.745 3.879 1.00 0.11 O ATOM 479 CB LEU A 32 3.622 1.726 1.437 1.00 0.12 C ATOM 480 CG LEU A 32 4.088 0.756 0.346 1.00 0.12 C ATOM 481 CD1 LEU A 32 3.297 -0.548 0.455 1.00 0.14 C ATOM 482 CD2 LEU A 32 3.815 1.394 -1.018 1.00 0.18 C ATOM 0 H LEU A 32 5.944 2.023 0.405 1.00 0.11 H new ATOM 0 HA LEU A 32 4.515 3.346 2.547 1.00 0.11 H new ATOM 0 HB2 LEU A 32 2.990 1.196 2.149 1.00 0.12 H new ATOM 0 HB3 LEU A 32 3.010 2.510 0.990 1.00 0.12 H new ATOM 0 HG LEU A 32 5.151 0.546 0.461 1.00 0.12 H new ATOM 0 HD11 LEU A 32 3.627 -1.240 -0.320 1.00 0.14 H new ATOM 0 HD12 LEU A 32 3.465 -0.995 1.435 1.00 0.14 H new ATOM 0 HD13 LEU A 32 2.234 -0.341 0.328 1.00 0.14 H new ATOM 0 HD21 LEU A 32 4.141 0.717 -1.808 1.00 0.18 H new ATOM 0 HD22 LEU A 32 2.747 1.587 -1.122 1.00 0.18 H new ATOM 0 HD23 LEU A 32 4.362 2.333 -1.096 1.00 0.18 H new ATOM 494 N HIS A 33 6.383 1.591 3.871 1.00 0.11 N ATOM 495 CA HIS A 33 6.741 0.793 5.065 1.00 0.12 C ATOM 496 C HIS A 33 6.382 1.635 6.296 1.00 0.12 C ATOM 497 O HIS A 33 6.772 1.342 7.407 1.00 0.17 O ATOM 498 CB HIS A 33 8.244 0.469 5.046 1.00 0.15 C ATOM 499 CG HIS A 33 9.040 1.643 5.556 1.00 0.81 C ATOM 500 ND1 HIS A 33 9.042 2.873 4.916 1.00 1.64 N ATOM 501 CD2 HIS A 33 9.861 1.788 6.647 1.00 1.71 C ATOM 502 CE1 HIS A 33 9.841 3.695 5.620 1.00 2.08 C ATOM 503 NE2 HIS A 33 10.366 3.084 6.685 1.00 2.12 N ATOM 0 H HIS A 33 7.121 2.192 3.505 1.00 0.11 H new ATOM 0 HA HIS A 33 6.200 -0.153 5.083 1.00 0.12 H new ATOM 0 HB2 HIS A 33 8.441 -0.408 5.662 1.00 0.15 H new ATOM 0 HB3 HIS A 33 8.557 0.222 4.031 1.00 0.15 H new ATOM 0 HD2 HIS A 33 10.081 1.013 7.367 1.00 1.71 H new ATOM 0 HE1 HIS A 33 10.034 4.724 5.356 1.00 2.08 H new ATOM 0 HE2 HIS A 33 11.001 3.482 7.377 1.00 2.12 H new ATOM 511 N GLY A 34 5.623 2.686 6.080 1.00 0.11 N ATOM 512 CA GLY A 34 5.191 3.579 7.184 1.00 0.12 C ATOM 513 C GLY A 34 3.760 4.033 6.883 1.00 0.12 C ATOM 514 O GLY A 34 3.378 5.147 7.169 1.00 0.13 O ATOM 0 H GLY A 34 5.282 2.961 5.159 1.00 0.11 H new ATOM 0 HA2 GLY A 34 5.233 3.055 8.139 1.00 0.12 H new ATOM 0 HA3 GLY A 34 5.856 4.439 7.263 1.00 0.12 H new ATOM 518 N LEU A 35 2.977 3.165 6.291 1.00 0.12 N ATOM 519 CA LEU A 35 1.565 3.512 5.944 1.00 0.13 C ATOM 520 C LEU A 35 0.775 3.796 7.219 1.00 0.13 C ATOM 521 O LEU A 35 -0.005 4.726 7.286 1.00 0.14 O ATOM 522 CB LEU A 35 0.929 2.330 5.216 1.00 0.16 C ATOM 523 CG LEU A 35 0.443 2.778 3.838 1.00 0.48 C ATOM 524 CD1 LEU A 35 1.645 3.037 2.931 1.00 1.10 C ATOM 525 CD2 LEU A 35 -0.434 1.684 3.225 1.00 1.47 C ATOM 0 H LEU A 35 3.260 2.220 6.031 1.00 0.12 H new ATOM 0 HA LEU A 35 1.554 4.396 5.307 1.00 0.13 H new ATOM 0 HB2 LEU A 35 1.653 1.522 5.112 1.00 0.16 H new ATOM 0 HB3 LEU A 35 0.094 1.938 5.797 1.00 0.16 H new ATOM 0 HG LEU A 35 -0.138 3.695 3.939 1.00 0.48 H new ATOM 0 HD11 LEU A 35 1.297 3.356 1.949 1.00 1.10 H new ATOM 0 HD12 LEU A 35 2.268 3.818 3.367 1.00 1.10 H new ATOM 0 HD13 LEU A 35 2.228 2.122 2.830 1.00 1.10 H new ATOM 0 HD21 LEU A 35 -0.781 2.004 2.242 1.00 1.47 H new ATOM 0 HD22 LEU A 35 0.146 0.766 3.125 1.00 1.47 H new ATOM 0 HD23 LEU A 35 -1.293 1.502 3.871 1.00 1.47 H new ATOM 537 N PHE A 36 0.974 3.009 8.240 1.00 0.13 N ATOM 538 CA PHE A 36 0.237 3.255 9.507 1.00 0.15 C ATOM 539 C PHE A 36 0.564 4.672 9.973 1.00 0.15 C ATOM 540 O PHE A 36 -0.131 5.254 10.781 1.00 0.18 O ATOM 541 CB PHE A 36 0.677 2.251 10.577 1.00 0.17 C ATOM 542 CG PHE A 36 0.058 0.894 10.315 1.00 0.18 C ATOM 543 CD1 PHE A 36 0.409 0.166 9.172 1.00 1.20 C ATOM 544 CD2 PHE A 36 -0.858 0.357 11.227 1.00 1.25 C ATOM 545 CE1 PHE A 36 -0.152 -1.093 8.941 1.00 1.21 C ATOM 546 CE2 PHE A 36 -1.422 -0.904 10.993 1.00 1.25 C ATOM 547 CZ PHE A 36 -1.067 -1.628 9.848 1.00 0.25 C ATOM 0 H PHE A 36 1.611 2.212 8.251 1.00 0.13 H new ATOM 0 HA PHE A 36 -0.835 3.140 9.345 1.00 0.15 H new ATOM 0 HB2 PHE A 36 1.764 2.167 10.581 1.00 0.17 H new ATOM 0 HB3 PHE A 36 0.381 2.608 11.563 1.00 0.17 H new ATOM 0 HD1 PHE A 36 1.115 0.578 8.467 1.00 1.20 H new ATOM 0 HD2 PHE A 36 -1.130 0.915 12.111 1.00 1.25 H new ATOM 0 HE1 PHE A 36 0.123 -1.652 8.059 1.00 1.21 H new ATOM 0 HE2 PHE A 36 -2.130 -1.318 11.695 1.00 1.25 H new ATOM 0 HZ PHE A 36 -1.501 -2.600 9.667 1.00 0.25 H new ATOM 557 N GLY A 37 1.629 5.226 9.459 1.00 0.13 N ATOM 558 CA GLY A 37 2.027 6.602 9.852 1.00 0.15 C ATOM 559 C GLY A 37 1.777 7.568 8.686 1.00 0.14 C ATOM 560 O GLY A 37 1.778 8.771 8.857 1.00 0.17 O ATOM 0 H GLY A 37 2.243 4.778 8.779 1.00 0.13 H new ATOM 0 HA2 GLY A 37 1.459 6.919 10.727 1.00 0.15 H new ATOM 0 HA3 GLY A 37 3.080 6.620 10.132 1.00 0.15 H new ATOM 564 N ARG A 38 1.561 7.054 7.502 1.00 0.13 N ATOM 565 CA ARG A 38 1.311 7.948 6.333 1.00 0.14 C ATOM 566 C ARG A 38 -0.184 8.227 6.218 1.00 0.14 C ATOM 567 O ARG A 38 -0.993 7.321 6.170 1.00 0.19 O ATOM 568 CB ARG A 38 1.793 7.268 5.050 1.00 0.16 C ATOM 569 CG ARG A 38 3.137 7.864 4.626 1.00 0.27 C ATOM 570 CD ARG A 38 3.242 7.850 3.098 1.00 0.37 C ATOM 571 NE ARG A 38 4.654 8.099 2.695 1.00 1.02 N ATOM 572 CZ ARG A 38 5.631 7.551 3.365 1.00 1.32 C ATOM 573 NH1 ARG A 38 5.905 6.285 3.203 1.00 1.95 N ATOM 574 NH2 ARG A 38 6.335 8.269 4.197 1.00 1.96 N ATOM 0 H ARG A 38 1.547 6.055 7.295 1.00 0.13 H new ATOM 0 HA ARG A 38 1.852 8.883 6.475 1.00 0.14 H new ATOM 0 HB2 ARG A 38 1.895 6.195 5.211 1.00 0.16 H new ATOM 0 HB3 ARG A 38 1.058 7.403 4.257 1.00 0.16 H new ATOM 0 HG2 ARG A 38 3.228 8.884 4.998 1.00 0.27 H new ATOM 0 HG3 ARG A 38 3.955 7.291 5.063 1.00 0.27 H new ATOM 0 HD2 ARG A 38 2.905 6.889 2.709 1.00 0.37 H new ATOM 0 HD3 ARG A 38 2.591 8.613 2.671 1.00 0.37 H new ATOM 0 HE ARG A 38 4.858 8.698 1.895 1.00 1.02 H new ATOM 0 HH11 ARG A 38 5.356 5.723 2.553 1.00 1.95 H new ATOM 0 HH12 ARG A 38 6.669 5.857 3.727 1.00 1.95 H new ATOM 0 HH21 ARG A 38 6.122 9.258 4.324 1.00 1.96 H new ATOM 0 HH22 ARG A 38 7.098 7.841 4.721 1.00 1.96 H new ATOM 588 N LYS A 39 -0.561 9.472 6.167 1.00 0.15 N ATOM 589 CA LYS A 39 -2.004 9.799 6.048 1.00 0.18 C ATOM 590 C LYS A 39 -2.576 9.079 4.831 1.00 0.17 C ATOM 591 O LYS A 39 -1.847 8.582 3.996 1.00 0.18 O ATOM 592 CB LYS A 39 -2.178 11.309 5.881 1.00 0.22 C ATOM 593 CG LYS A 39 -1.322 12.036 6.920 1.00 0.73 C ATOM 594 CD LYS A 39 -2.171 13.086 7.638 1.00 0.96 C ATOM 595 CE LYS A 39 -2.322 12.700 9.111 1.00 1.32 C ATOM 596 NZ LYS A 39 -2.241 13.925 9.957 1.00 1.70 N ATOM 0 H LYS A 39 0.067 10.275 6.203 1.00 0.15 H new ATOM 0 HA LYS A 39 -2.530 9.478 6.947 1.00 0.18 H new ATOM 0 HB2 LYS A 39 -1.884 11.611 4.876 1.00 0.22 H new ATOM 0 HB3 LYS A 39 -3.226 11.581 6.002 1.00 0.22 H new ATOM 0 HG2 LYS A 39 -0.922 11.322 7.640 1.00 0.73 H new ATOM 0 HG3 LYS A 39 -0.470 12.512 6.435 1.00 0.73 H new ATOM 0 HD2 LYS A 39 -1.703 14.067 7.554 1.00 0.96 H new ATOM 0 HD3 LYS A 39 -3.152 13.160 7.168 1.00 0.96 H new ATOM 0 HE2 LYS A 39 -3.276 12.198 9.270 1.00 1.32 H new ATOM 0 HE3 LYS A 39 -1.540 11.996 9.396 1.00 1.32 H new ATOM 0 HZ1 LYS A 39 -2.344 13.663 10.958 1.00 1.70 H new ATOM 0 HZ2 LYS A 39 -1.320 14.386 9.813 1.00 1.70 H new ATOM 0 HZ3 LYS A 39 -3.003 14.581 9.691 1.00 1.70 H new ATOM 610 N THR A 40 -3.872 9.024 4.712 1.00 0.19 N ATOM 611 CA THR A 40 -4.468 8.341 3.535 1.00 0.19 C ATOM 612 C THR A 40 -3.892 8.966 2.272 1.00 0.17 C ATOM 613 O THR A 40 -3.944 8.393 1.208 1.00 0.19 O ATOM 614 CB THR A 40 -5.986 8.514 3.539 1.00 0.21 C ATOM 615 OG1 THR A 40 -6.350 9.457 4.537 1.00 0.23 O ATOM 616 CG2 THR A 40 -6.653 7.170 3.836 1.00 0.24 C ATOM 0 H THR A 40 -4.539 9.420 5.374 1.00 0.19 H new ATOM 0 HA THR A 40 -4.236 7.277 3.573 1.00 0.19 H new ATOM 0 HB THR A 40 -6.315 8.872 2.563 1.00 0.21 H new ATOM 0 HG1 THR A 40 -5.935 10.322 4.337 1.00 0.23 H new ATOM 0 HG21 THR A 40 -7.736 7.294 3.839 1.00 0.24 H new ATOM 0 HG22 THR A 40 -6.372 6.447 3.070 1.00 0.24 H new ATOM 0 HG23 THR A 40 -6.327 6.810 4.812 1.00 0.24 H new ATOM 624 N GLY A 41 -3.340 10.144 2.385 1.00 0.17 N ATOM 625 CA GLY A 41 -2.755 10.808 1.192 1.00 0.17 C ATOM 626 C GLY A 41 -1.917 12.009 1.633 1.00 0.20 C ATOM 627 O GLY A 41 -2.285 13.143 1.417 1.00 0.25 O ATOM 0 H GLY A 41 -3.270 10.673 3.254 1.00 0.17 H new ATOM 0 HA2 GLY A 41 -2.135 10.103 0.638 1.00 0.17 H new ATOM 0 HA3 GLY A 41 -3.548 11.133 0.518 1.00 0.17 H new ATOM 631 N GLN A 42 -0.793 11.774 2.251 1.00 0.20 N ATOM 632 CA GLN A 42 0.058 12.912 2.692 1.00 0.27 C ATOM 633 C GLN A 42 1.516 12.613 2.343 1.00 0.31 C ATOM 634 O GLN A 42 2.420 12.926 3.092 1.00 0.39 O ATOM 635 CB GLN A 42 -0.081 13.101 4.204 1.00 0.35 C ATOM 636 CG GLN A 42 0.716 14.330 4.644 1.00 1.07 C ATOM 637 CD GLN A 42 0.203 14.809 6.004 1.00 1.39 C ATOM 638 OE1 GLN A 42 0.618 14.312 7.032 1.00 2.12 O ATOM 639 NE2 GLN A 42 -0.691 15.759 6.053 1.00 1.93 N ATOM 0 H GLN A 42 -0.429 10.846 2.469 1.00 0.20 H new ATOM 0 HA GLN A 42 -0.259 13.824 2.187 1.00 0.27 H new ATOM 0 HB2 GLN A 42 -1.131 13.222 4.470 1.00 0.35 H new ATOM 0 HB3 GLN A 42 0.280 12.215 4.726 1.00 0.35 H new ATOM 0 HG2 GLN A 42 1.776 14.085 4.709 1.00 1.07 H new ATOM 0 HG3 GLN A 42 0.617 15.125 3.905 1.00 1.07 H new ATOM 0 HE21 GLN A 42 -1.039 16.176 5.190 1.00 1.93 H new ATOM 0 HE22 GLN A 42 -1.041 16.084 6.954 1.00 1.93 H new ATOM 648 N ALA A 43 1.758 12.004 1.211 1.00 0.29 N ATOM 649 CA ALA A 43 3.156 11.687 0.829 1.00 0.37 C ATOM 650 C ALA A 43 3.944 12.988 0.633 1.00 0.38 C ATOM 651 O ALA A 43 3.574 13.811 -0.181 1.00 0.62 O ATOM 652 CB ALA A 43 3.159 10.894 -0.477 1.00 0.40 C ATOM 0 H ALA A 43 1.046 11.715 0.540 1.00 0.29 H new ATOM 0 HA ALA A 43 3.620 11.096 1.618 1.00 0.37 H new ATOM 0 HB1 ALA A 43 4.186 10.661 -0.759 1.00 0.40 H new ATOM 0 HB2 ALA A 43 2.600 9.968 -0.342 1.00 0.40 H new ATOM 0 HB3 ALA A 43 2.693 11.487 -1.264 1.00 0.40 H new ATOM 658 N PRO A 44 5.015 13.136 1.375 1.00 0.18 N ATOM 659 CA PRO A 44 5.870 14.333 1.278 1.00 0.20 C ATOM 660 C PRO A 44 6.275 14.572 -0.177 1.00 0.50 C ATOM 661 O PRO A 44 7.001 13.795 -0.765 1.00 1.48 O ATOM 662 CB PRO A 44 7.096 14.009 2.137 1.00 0.40 C ATOM 663 CG PRO A 44 6.833 12.647 2.835 1.00 0.47 C ATOM 664 CD PRO A 44 5.464 12.134 2.360 1.00 0.25 C ATOM 0 HA PRO A 44 5.364 15.237 1.617 1.00 0.20 H new ATOM 0 HB2 PRO A 44 7.993 13.956 1.520 1.00 0.40 H new ATOM 0 HB3 PRO A 44 7.263 14.792 2.876 1.00 0.40 H new ATOM 0 HG2 PRO A 44 7.617 11.932 2.585 1.00 0.47 H new ATOM 0 HG3 PRO A 44 6.842 12.765 3.919 1.00 0.47 H new ATOM 0 HD2 PRO A 44 5.545 11.144 1.910 1.00 0.25 H new ATOM 0 HD3 PRO A 44 4.762 12.051 3.190 1.00 0.25 H new ATOM 672 N GLY A 45 5.801 15.636 -0.765 1.00 0.42 N ATOM 673 CA GLY A 45 6.144 15.916 -2.187 1.00 0.26 C ATOM 674 C GLY A 45 5.142 15.180 -3.076 1.00 0.24 C ATOM 675 O GLY A 45 4.550 15.748 -3.971 1.00 0.24 O ATOM 0 H GLY A 45 5.191 16.323 -0.322 1.00 0.42 H new ATOM 0 HA2 GLY A 45 6.109 16.988 -2.382 1.00 0.26 H new ATOM 0 HA3 GLY A 45 7.160 15.585 -2.405 1.00 0.26 H new ATOM 679 N PHE A 46 4.940 13.918 -2.816 1.00 0.24 N ATOM 680 CA PHE A 46 3.966 13.131 -3.618 1.00 0.24 C ATOM 681 C PHE A 46 2.593 13.233 -2.949 1.00 0.23 C ATOM 682 O PHE A 46 2.099 12.291 -2.364 1.00 0.24 O ATOM 683 CB PHE A 46 4.429 11.667 -3.666 1.00 0.28 C ATOM 684 CG PHE A 46 3.268 10.748 -3.964 1.00 0.24 C ATOM 685 CD1 PHE A 46 2.314 11.094 -4.930 1.00 0.23 C ATOM 686 CD2 PHE A 46 3.143 9.553 -3.257 1.00 0.22 C ATOM 687 CE1 PHE A 46 1.237 10.234 -5.183 1.00 0.22 C ATOM 688 CE2 PHE A 46 2.067 8.698 -3.508 1.00 0.19 C ATOM 689 CZ PHE A 46 1.115 9.038 -4.471 1.00 0.19 C ATOM 0 H PHE A 46 5.412 13.396 -2.077 1.00 0.24 H new ATOM 0 HA PHE A 46 3.902 13.516 -4.636 1.00 0.24 H new ATOM 0 HB2 PHE A 46 5.198 11.549 -4.430 1.00 0.28 H new ATOM 0 HB3 PHE A 46 4.881 11.392 -2.713 1.00 0.28 H new ATOM 0 HD1 PHE A 46 2.408 12.020 -5.478 1.00 0.23 H new ATOM 0 HD2 PHE A 46 3.880 9.288 -2.513 1.00 0.22 H new ATOM 0 HE1 PHE A 46 0.501 10.496 -5.929 1.00 0.22 H new ATOM 0 HE2 PHE A 46 1.972 7.774 -2.957 1.00 0.19 H new ATOM 0 HZ PHE A 46 0.284 8.376 -4.666 1.00 0.19 H new ATOM 699 N THR A 47 1.968 14.370 -3.014 1.00 0.22 N ATOM 700 CA THR A 47 0.644 14.496 -2.370 1.00 0.21 C ATOM 701 C THR A 47 -0.398 13.775 -3.225 1.00 0.20 C ATOM 702 O THR A 47 -0.883 14.278 -4.218 1.00 0.23 O ATOM 703 CB THR A 47 0.278 15.966 -2.223 1.00 0.23 C ATOM 704 OG1 THR A 47 0.506 16.639 -3.453 1.00 0.30 O ATOM 705 CG2 THR A 47 1.138 16.593 -1.122 1.00 0.28 C ATOM 0 H THR A 47 2.314 15.208 -3.481 1.00 0.22 H new ATOM 0 HA THR A 47 0.673 14.045 -1.378 1.00 0.21 H new ATOM 0 HB THR A 47 -0.775 16.056 -1.957 1.00 0.23 H new ATOM 0 HG1 THR A 47 0.104 16.127 -4.186 1.00 0.30 H new ATOM 0 HG21 THR A 47 0.879 17.646 -1.013 1.00 0.28 H new ATOM 0 HG22 THR A 47 0.957 16.076 -0.180 1.00 0.28 H new ATOM 0 HG23 THR A 47 2.191 16.504 -1.388 1.00 0.28 H new ATOM 713 N TYR A 48 -0.718 12.589 -2.820 1.00 0.17 N ATOM 714 CA TYR A 48 -1.712 11.738 -3.536 1.00 0.17 C ATOM 715 C TYR A 48 -2.801 12.555 -4.216 1.00 0.18 C ATOM 716 O TYR A 48 -3.089 13.676 -3.845 1.00 0.20 O ATOM 717 CB TYR A 48 -2.378 10.835 -2.509 1.00 0.15 C ATOM 718 CG TYR A 48 -1.364 9.854 -2.019 1.00 0.13 C ATOM 719 CD1 TYR A 48 -0.488 10.204 -0.986 1.00 0.14 C ATOM 720 CD2 TYR A 48 -1.286 8.604 -2.617 1.00 0.15 C ATOM 721 CE1 TYR A 48 0.472 9.285 -0.550 1.00 0.15 C ATOM 722 CE2 TYR A 48 -0.332 7.686 -2.184 1.00 0.15 C ATOM 723 CZ TYR A 48 0.546 8.027 -1.149 1.00 0.16 C ATOM 724 OH TYR A 48 1.482 7.124 -0.713 1.00 0.18 O ATOM 0 H TYR A 48 -0.319 12.151 -1.990 1.00 0.17 H new ATOM 0 HA TYR A 48 -1.182 11.179 -4.307 1.00 0.17 H new ATOM 0 HB2 TYR A 48 -2.767 11.426 -1.679 1.00 0.15 H new ATOM 0 HB3 TYR A 48 -3.226 10.314 -2.954 1.00 0.15 H new ATOM 0 HD1 TYR A 48 -0.553 11.180 -0.527 1.00 0.14 H new ATOM 0 HD2 TYR A 48 -1.964 8.344 -3.417 1.00 0.15 H new ATOM 0 HE1 TYR A 48 1.153 9.548 0.246 1.00 0.15 H new ATOM 0 HE2 TYR A 48 -0.270 6.712 -2.647 1.00 0.15 H new ATOM 0 HH TYR A 48 1.333 6.931 0.236 1.00 0.18 H new ATOM 734 N THR A 49 -3.444 11.967 -5.191 1.00 0.20 N ATOM 735 CA THR A 49 -4.554 12.670 -5.875 1.00 0.23 C ATOM 736 C THR A 49 -5.591 13.043 -4.814 1.00 0.22 C ATOM 737 O THR A 49 -5.744 12.345 -3.829 1.00 0.21 O ATOM 738 CB THR A 49 -5.173 11.728 -6.913 1.00 0.27 C ATOM 739 OG1 THR A 49 -4.365 11.722 -8.081 1.00 0.35 O ATOM 740 CG2 THR A 49 -6.586 12.197 -7.272 1.00 0.28 C ATOM 0 H THR A 49 -3.244 11.029 -5.539 1.00 0.20 H new ATOM 0 HA THR A 49 -4.201 13.568 -6.382 1.00 0.23 H new ATOM 0 HB THR A 49 -5.228 10.722 -6.497 1.00 0.27 H new ATOM 0 HG1 THR A 49 -3.718 10.988 -8.028 1.00 0.35 H new ATOM 0 HG21 THR A 49 -7.017 11.521 -8.010 1.00 0.28 H new ATOM 0 HG22 THR A 49 -7.207 12.200 -6.376 1.00 0.28 H new ATOM 0 HG23 THR A 49 -6.541 13.205 -7.685 1.00 0.28 H new ATOM 748 N ASP A 50 -6.283 14.139 -5.002 1.00 0.25 N ATOM 749 CA ASP A 50 -7.306 14.586 -4.004 1.00 0.27 C ATOM 750 C ASP A 50 -7.983 13.380 -3.343 1.00 0.27 C ATOM 751 O ASP A 50 -8.378 13.433 -2.197 1.00 0.29 O ATOM 752 CB ASP A 50 -8.365 15.433 -4.712 1.00 0.32 C ATOM 753 CG ASP A 50 -7.774 16.799 -5.065 1.00 1.43 C ATOM 754 OD1 ASP A 50 -6.588 16.855 -5.346 1.00 2.26 O ATOM 755 OD2 ASP A 50 -8.517 17.766 -5.049 1.00 2.16 O ATOM 0 H ASP A 50 -6.182 14.750 -5.812 1.00 0.25 H new ATOM 0 HA ASP A 50 -6.808 15.173 -3.233 1.00 0.27 H new ATOM 0 HB2 ASP A 50 -8.705 14.928 -5.616 1.00 0.32 H new ATOM 0 HB3 ASP A 50 -9.236 15.557 -4.069 1.00 0.32 H new ATOM 760 N ALA A 51 -8.120 12.298 -4.053 1.00 0.29 N ATOM 761 CA ALA A 51 -8.772 11.097 -3.461 1.00 0.32 C ATOM 762 C ALA A 51 -8.103 10.725 -2.130 1.00 0.28 C ATOM 763 O ALA A 51 -8.688 10.859 -1.073 1.00 0.28 O ATOM 764 CB ALA A 51 -8.649 9.923 -4.434 1.00 0.36 C ATOM 0 H ALA A 51 -7.809 12.192 -5.019 1.00 0.29 H new ATOM 0 HA ALA A 51 -9.823 11.321 -3.277 1.00 0.32 H new ATOM 0 HB1 ALA A 51 -9.125 9.042 -4.003 1.00 0.36 H new ATOM 0 HB2 ALA A 51 -9.138 10.177 -5.374 1.00 0.36 H new ATOM 0 HB3 ALA A 51 -7.596 9.712 -4.618 1.00 0.36 H new ATOM 770 N ASN A 52 -6.884 10.252 -2.168 1.00 0.25 N ATOM 771 CA ASN A 52 -6.201 9.858 -0.896 1.00 0.23 C ATOM 772 C ASN A 52 -5.764 11.105 -0.135 1.00 0.20 C ATOM 773 O ASN A 52 -5.745 11.132 1.080 1.00 0.22 O ATOM 774 CB ASN A 52 -4.969 9.000 -1.211 1.00 0.26 C ATOM 775 CG ASN A 52 -5.250 7.548 -0.827 1.00 0.96 C ATOM 776 OD1 ASN A 52 -6.018 7.284 0.077 1.00 1.72 O ATOM 777 ND2 ASN A 52 -4.657 6.587 -1.481 1.00 1.17 N ATOM 0 H ASN A 52 -6.334 10.122 -3.017 1.00 0.25 H new ATOM 0 HA ASN A 52 -6.897 9.284 -0.284 1.00 0.23 H new ATOM 0 HB2 ASN A 52 -4.727 9.067 -2.272 1.00 0.26 H new ATOM 0 HB3 ASN A 52 -4.103 9.372 -0.663 1.00 0.26 H new ATOM 0 HD21 ASN A 52 -4.838 5.614 -1.233 1.00 1.17 H new ATOM 0 HD22 ASN A 52 -4.012 6.809 -2.240 1.00 1.17 H new ATOM 784 N LYS A 53 -5.405 12.134 -0.841 1.00 0.19 N ATOM 785 CA LYS A 53 -4.955 13.381 -0.171 1.00 0.22 C ATOM 786 C LYS A 53 -6.158 14.129 0.419 1.00 0.25 C ATOM 787 O LYS A 53 -6.016 15.208 0.959 1.00 0.32 O ATOM 788 CB LYS A 53 -4.251 14.266 -1.201 1.00 0.24 C ATOM 789 CG LYS A 53 -2.739 14.158 -1.025 1.00 0.17 C ATOM 790 CD LYS A 53 -2.259 15.238 -0.051 1.00 0.36 C ATOM 791 CE LYS A 53 -2.585 16.620 -0.621 1.00 1.01 C ATOM 792 NZ LYS A 53 -1.579 17.606 -0.136 1.00 1.49 N ATOM 0 H LYS A 53 -5.404 12.166 -1.860 1.00 0.19 H new ATOM 0 HA LYS A 53 -4.269 13.133 0.639 1.00 0.22 H new ATOM 0 HB2 LYS A 53 -4.532 13.961 -2.209 1.00 0.24 H new ATOM 0 HB3 LYS A 53 -4.568 15.302 -1.081 1.00 0.24 H new ATOM 0 HG2 LYS A 53 -2.476 13.170 -0.647 1.00 0.17 H new ATOM 0 HG3 LYS A 53 -2.241 14.274 -1.988 1.00 0.17 H new ATOM 0 HD2 LYS A 53 -2.741 15.109 0.918 1.00 0.36 H new ATOM 0 HD3 LYS A 53 -1.185 15.144 0.113 1.00 0.36 H new ATOM 0 HE2 LYS A 53 -2.581 16.586 -1.710 1.00 1.01 H new ATOM 0 HE3 LYS A 53 -3.586 16.925 -0.315 1.00 1.01 H new ATOM 0 HZ1 LYS A 53 -2.054 18.336 0.432 1.00 1.49 H new ATOM 0 HZ2 LYS A 53 -0.870 17.119 0.449 1.00 1.49 H new ATOM 0 HZ3 LYS A 53 -1.109 18.052 -0.950 1.00 1.49 H new ATOM 806 N ASN A 54 -7.341 13.574 0.326 1.00 0.24 N ATOM 807 CA ASN A 54 -8.529 14.277 0.892 1.00 0.27 C ATOM 808 C ASN A 54 -9.249 13.367 1.891 1.00 0.30 C ATOM 809 O ASN A 54 -10.391 13.594 2.238 1.00 0.43 O ATOM 810 CB ASN A 54 -9.492 14.648 -0.238 1.00 0.32 C ATOM 811 CG ASN A 54 -10.601 15.547 0.310 1.00 1.06 C ATOM 812 OD1 ASN A 54 -11.582 15.066 0.840 1.00 1.87 O ATOM 813 ND2 ASN A 54 -10.485 16.843 0.205 1.00 1.74 N ATOM 0 H ASN A 54 -7.533 12.674 -0.113 1.00 0.24 H new ATOM 0 HA ASN A 54 -8.196 15.181 1.403 1.00 0.27 H new ATOM 0 HB2 ASN A 54 -8.954 15.161 -1.035 1.00 0.32 H new ATOM 0 HB3 ASN A 54 -9.922 13.746 -0.674 1.00 0.32 H new ATOM 0 HD21 ASN A 54 -11.218 17.452 0.568 1.00 1.74 H new ATOM 0 HD22 ASN A 54 -9.661 17.247 -0.240 1.00 1.74 H new ATOM 820 N LYS A 55 -8.594 12.339 2.358 1.00 0.26 N ATOM 821 CA LYS A 55 -9.249 11.422 3.335 1.00 0.32 C ATOM 822 C LYS A 55 -9.199 12.040 4.736 1.00 0.42 C ATOM 823 O LYS A 55 -10.036 12.844 5.096 1.00 0.94 O ATOM 824 CB LYS A 55 -8.521 10.078 3.336 1.00 0.28 C ATOM 825 CG LYS A 55 -9.256 9.098 2.420 1.00 0.44 C ATOM 826 CD LYS A 55 -10.599 8.720 3.049 1.00 1.07 C ATOM 827 CE LYS A 55 -11.407 7.877 2.060 1.00 1.47 C ATOM 828 NZ LYS A 55 -12.664 7.415 2.712 1.00 1.97 N ATOM 0 H LYS A 55 -7.636 12.095 2.106 1.00 0.26 H new ATOM 0 HA LYS A 55 -10.290 11.269 3.050 1.00 0.32 H new ATOM 0 HB2 LYS A 55 -7.494 10.209 2.996 1.00 0.28 H new ATOM 0 HB3 LYS A 55 -8.473 9.679 4.349 1.00 0.28 H new ATOM 0 HG2 LYS A 55 -9.415 9.549 1.441 1.00 0.44 H new ATOM 0 HG3 LYS A 55 -8.651 8.205 2.265 1.00 0.44 H new ATOM 0 HD2 LYS A 55 -10.436 8.162 3.971 1.00 1.07 H new ATOM 0 HD3 LYS A 55 -11.154 9.620 3.315 1.00 1.07 H new ATOM 0 HE2 LYS A 55 -11.640 8.464 1.171 1.00 1.47 H new ATOM 0 HE3 LYS A 55 -10.819 7.020 1.731 1.00 1.47 H new ATOM 0 HZ1 LYS A 55 -13.213 6.842 2.040 1.00 1.97 H new ATOM 0 HZ2 LYS A 55 -12.431 6.841 3.547 1.00 1.97 H new ATOM 0 HZ3 LYS A 55 -13.227 8.239 3.005 1.00 1.97 H new ATOM 842 N GLY A 56 -8.223 11.683 5.531 1.00 0.39 N ATOM 843 CA GLY A 56 -8.135 12.269 6.902 1.00 0.38 C ATOM 844 C GLY A 56 -7.692 11.206 7.917 1.00 0.33 C ATOM 845 O GLY A 56 -7.478 11.502 9.076 1.00 0.41 O ATOM 0 H GLY A 56 -7.489 11.016 5.293 1.00 0.39 H new ATOM 0 HA2 GLY A 56 -7.428 13.098 6.904 1.00 0.38 H new ATOM 0 HA3 GLY A 56 -9.104 12.675 7.192 1.00 0.38 H new ATOM 849 N ILE A 57 -7.551 9.976 7.502 1.00 0.28 N ATOM 850 CA ILE A 57 -7.124 8.915 8.451 1.00 0.25 C ATOM 851 C ILE A 57 -5.706 8.476 8.104 1.00 0.22 C ATOM 852 O ILE A 57 -4.999 9.129 7.365 1.00 0.26 O ATOM 853 CB ILE A 57 -8.074 7.717 8.327 1.00 0.27 C ATOM 854 CG1 ILE A 57 -8.225 7.341 6.849 1.00 0.45 C ATOM 855 CG2 ILE A 57 -9.444 8.092 8.896 1.00 0.55 C ATOM 856 CD1 ILE A 57 -7.956 5.845 6.666 1.00 0.77 C ATOM 0 H ILE A 57 -7.714 9.662 6.545 1.00 0.28 H new ATOM 0 HA ILE A 57 -7.149 9.298 9.471 1.00 0.25 H new ATOM 0 HB ILE A 57 -7.668 6.871 8.882 1.00 0.27 H new ATOM 0 HG12 ILE A 57 -9.229 7.585 6.503 1.00 0.45 H new ATOM 0 HG13 ILE A 57 -7.530 7.922 6.243 1.00 0.45 H new ATOM 0 HG21 ILE A 57 -10.120 7.241 8.808 1.00 0.55 H new ATOM 0 HG22 ILE A 57 -9.339 8.366 9.946 1.00 0.55 H new ATOM 0 HG23 ILE A 57 -9.850 8.937 8.340 1.00 0.55 H new ATOM 0 HD11 ILE A 57 -8.064 5.582 5.614 1.00 0.77 H new ATOM 0 HD12 ILE A 57 -6.943 5.615 6.995 1.00 0.77 H new ATOM 0 HD13 ILE A 57 -8.669 5.272 7.259 1.00 0.77 H new ATOM 868 N THR A 58 -5.298 7.365 8.627 1.00 0.25 N ATOM 869 CA THR A 58 -3.938 6.844 8.337 1.00 0.23 C ATOM 870 C THR A 58 -4.087 5.435 7.774 1.00 0.19 C ATOM 871 O THR A 58 -5.113 4.805 7.935 1.00 0.21 O ATOM 872 CB THR A 58 -3.116 6.805 9.627 1.00 0.27 C ATOM 873 OG1 THR A 58 -3.358 7.989 10.376 1.00 1.01 O ATOM 874 CG2 THR A 58 -1.629 6.712 9.283 1.00 0.97 C ATOM 0 H THR A 58 -5.855 6.784 9.253 1.00 0.25 H new ATOM 0 HA THR A 58 -3.427 7.486 7.620 1.00 0.23 H new ATOM 0 HB THR A 58 -3.405 5.935 10.217 1.00 0.27 H new ATOM 0 HG1 THR A 58 -2.834 7.965 11.204 1.00 1.01 H new ATOM 0 HG21 THR A 58 -1.044 6.684 10.202 1.00 0.97 H new ATOM 0 HG22 THR A 58 -1.445 5.805 8.708 1.00 0.97 H new ATOM 0 HG23 THR A 58 -1.337 7.581 8.693 1.00 0.97 H new ATOM 882 N TRP A 59 -3.092 4.933 7.107 1.00 0.17 N ATOM 883 CA TRP A 59 -3.215 3.567 6.534 1.00 0.16 C ATOM 884 C TRP A 59 -3.120 2.529 7.647 1.00 0.16 C ATOM 885 O TRP A 59 -2.075 1.962 7.899 1.00 0.18 O ATOM 886 CB TRP A 59 -2.106 3.339 5.513 1.00 0.16 C ATOM 887 CG TRP A 59 -2.397 4.155 4.302 1.00 0.16 C ATOM 888 CD1 TRP A 59 -1.767 5.304 3.983 1.00 0.17 C ATOM 889 CD2 TRP A 59 -3.383 3.918 3.252 1.00 0.17 C ATOM 890 NE1 TRP A 59 -2.289 5.785 2.803 1.00 0.17 N ATOM 891 CE2 TRP A 59 -3.291 4.969 2.311 1.00 0.17 C ATOM 892 CE3 TRP A 59 -4.335 2.903 3.024 1.00 0.19 C ATOM 893 CZ2 TRP A 59 -4.112 5.016 1.183 1.00 0.20 C ATOM 894 CZ3 TRP A 59 -5.167 2.946 1.889 1.00 0.22 C ATOM 895 CH2 TRP A 59 -5.053 4.001 0.971 1.00 0.22 C ATOM 0 H TRP A 59 -2.204 5.404 6.934 1.00 0.17 H new ATOM 0 HA TRP A 59 -4.182 3.469 6.040 1.00 0.16 H new ATOM 0 HB2 TRP A 59 -1.141 3.619 5.935 1.00 0.16 H new ATOM 0 HB3 TRP A 59 -2.045 2.283 5.251 1.00 0.16 H new ATOM 0 HD1 TRP A 59 -0.981 5.771 4.559 1.00 0.17 H new ATOM 0 HE1 TRP A 59 -1.974 6.641 2.346 1.00 0.17 H new ATOM 0 HE3 TRP A 59 -4.427 2.087 3.725 1.00 0.19 H new ATOM 0 HZ2 TRP A 59 -4.022 5.830 0.479 1.00 0.20 H new ATOM 0 HZ3 TRP A 59 -5.895 2.165 1.725 1.00 0.22 H new ATOM 0 HH2 TRP A 59 -5.691 4.030 0.100 1.00 0.22 H new ATOM 906 N LYS A 60 -4.214 2.262 8.305 1.00 0.16 N ATOM 907 CA LYS A 60 -4.203 1.248 9.389 1.00 0.16 C ATOM 908 C LYS A 60 -4.769 -0.062 8.833 1.00 0.14 C ATOM 909 O LYS A 60 -5.718 -0.055 8.076 1.00 0.16 O ATOM 910 CB LYS A 60 -5.040 1.764 10.582 1.00 0.19 C ATOM 911 CG LYS A 60 -6.285 0.896 10.815 1.00 0.57 C ATOM 912 CD LYS A 60 -7.184 1.562 11.860 1.00 1.05 C ATOM 913 CE LYS A 60 -7.036 0.835 13.198 1.00 1.45 C ATOM 914 NZ LYS A 60 -7.313 1.784 14.313 1.00 2.08 N ATOM 0 H LYS A 60 -5.117 2.706 8.136 1.00 0.16 H new ATOM 0 HA LYS A 60 -3.188 1.070 9.744 1.00 0.16 H new ATOM 0 HB2 LYS A 60 -4.426 1.770 11.483 1.00 0.19 H new ATOM 0 HB3 LYS A 60 -5.343 2.794 10.396 1.00 0.19 H new ATOM 0 HG2 LYS A 60 -6.831 0.766 9.880 1.00 0.57 H new ATOM 0 HG3 LYS A 60 -5.991 -0.097 11.153 1.00 0.57 H new ATOM 0 HD2 LYS A 60 -6.913 2.612 11.972 1.00 1.05 H new ATOM 0 HD3 LYS A 60 -8.223 1.534 11.532 1.00 1.05 H new ATOM 0 HE2 LYS A 60 -7.725 -0.008 13.244 1.00 1.45 H new ATOM 0 HE3 LYS A 60 -6.029 0.429 13.294 1.00 1.45 H new ATOM 0 HZ1 LYS A 60 -7.212 1.290 15.223 1.00 2.08 H new ATOM 0 HZ2 LYS A 60 -6.638 2.574 14.272 1.00 2.08 H new ATOM 0 HZ3 LYS A 60 -8.282 2.151 14.224 1.00 2.08 H new ATOM 928 N GLU A 61 -4.171 -1.167 9.198 1.00 0.14 N ATOM 929 CA GLU A 61 -4.623 -2.512 8.719 1.00 0.14 C ATOM 930 C GLU A 61 -6.098 -2.490 8.297 1.00 0.15 C ATOM 931 O GLU A 61 -6.467 -3.051 7.287 1.00 0.18 O ATOM 932 CB GLU A 61 -4.445 -3.512 9.858 1.00 0.16 C ATOM 933 CG GLU A 61 -4.377 -4.930 9.289 1.00 0.20 C ATOM 934 CD GLU A 61 -5.497 -5.777 9.896 1.00 0.71 C ATOM 935 OE1 GLU A 61 -6.581 -5.248 10.079 1.00 1.53 O ATOM 936 OE2 GLU A 61 -5.252 -6.941 10.167 1.00 1.35 O ATOM 0 H GLU A 61 -3.367 -1.195 9.825 1.00 0.14 H new ATOM 0 HA GLU A 61 -4.027 -2.794 7.851 1.00 0.14 H new ATOM 0 HB2 GLU A 61 -3.534 -3.288 10.413 1.00 0.16 H new ATOM 0 HB3 GLU A 61 -5.275 -3.430 10.560 1.00 0.16 H new ATOM 0 HG2 GLU A 61 -4.474 -4.903 8.204 1.00 0.20 H new ATOM 0 HG3 GLU A 61 -3.408 -5.376 9.511 1.00 0.20 H new ATOM 943 N GLU A 62 -6.942 -1.848 9.059 1.00 0.18 N ATOM 944 CA GLU A 62 -8.387 -1.793 8.691 1.00 0.21 C ATOM 945 C GLU A 62 -8.574 -0.894 7.461 1.00 0.21 C ATOM 946 O GLU A 62 -9.017 -1.337 6.419 1.00 0.26 O ATOM 947 CB GLU A 62 -9.190 -1.223 9.862 1.00 0.26 C ATOM 948 CG GLU A 62 -8.848 -1.992 11.139 1.00 0.52 C ATOM 949 CD GLU A 62 -10.137 -2.328 11.892 1.00 1.14 C ATOM 950 OE1 GLU A 62 -11.089 -2.734 11.246 1.00 1.78 O ATOM 951 OE2 GLU A 62 -10.150 -2.175 13.102 1.00 1.80 O ATOM 0 H GLU A 62 -6.694 -1.360 9.920 1.00 0.18 H new ATOM 0 HA GLU A 62 -8.738 -2.799 8.461 1.00 0.21 H new ATOM 0 HB2 GLU A 62 -8.964 -0.165 9.991 1.00 0.26 H new ATOM 0 HB3 GLU A 62 -10.258 -1.298 9.655 1.00 0.26 H new ATOM 0 HG2 GLU A 62 -8.309 -2.907 10.892 1.00 0.52 H new ATOM 0 HG3 GLU A 62 -8.190 -1.395 11.771 1.00 0.52 H new ATOM 958 N THR A 63 -8.245 0.366 7.575 1.00 0.22 N ATOM 959 CA THR A 63 -8.408 1.294 6.415 1.00 0.24 C ATOM 960 C THR A 63 -7.842 0.642 5.153 1.00 0.21 C ATOM 961 O THR A 63 -8.524 0.503 4.155 1.00 0.24 O ATOM 962 CB THR A 63 -7.660 2.602 6.688 1.00 0.26 C ATOM 963 OG1 THR A 63 -6.278 2.418 6.418 1.00 0.25 O ATOM 964 CG2 THR A 63 -7.849 3.011 8.150 1.00 0.38 C ATOM 0 H THR A 63 -7.870 0.794 8.422 1.00 0.22 H new ATOM 0 HA THR A 63 -9.468 1.506 6.274 1.00 0.24 H new ATOM 0 HB THR A 63 -8.056 3.387 6.044 1.00 0.26 H new ATOM 0 HG1 THR A 63 -6.093 2.650 5.484 1.00 0.25 H new ATOM 0 HG21 THR A 63 -7.315 3.942 8.339 1.00 0.38 H new ATOM 0 HG22 THR A 63 -8.910 3.154 8.354 1.00 0.38 H new ATOM 0 HG23 THR A 63 -7.457 2.229 8.800 1.00 0.38 H new ATOM 972 N LEU A 64 -6.601 0.238 5.180 1.00 0.18 N ATOM 973 CA LEU A 64 -6.020 -0.406 3.971 1.00 0.18 C ATOM 974 C LEU A 64 -6.710 -1.747 3.761 1.00 0.19 C ATOM 975 O LEU A 64 -6.821 -2.232 2.663 1.00 0.23 O ATOM 976 CB LEU A 64 -4.520 -0.623 4.147 1.00 0.18 C ATOM 977 CG LEU A 64 -4.239 -1.040 5.580 1.00 0.17 C ATOM 978 CD1 LEU A 64 -3.290 -2.236 5.575 1.00 0.25 C ATOM 979 CD2 LEU A 64 -3.597 0.129 6.320 1.00 0.26 C ATOM 0 H LEU A 64 -5.972 0.325 5.978 1.00 0.18 H new ATOM 0 HA LEU A 64 -6.173 0.240 3.106 1.00 0.18 H new ATOM 0 HB2 LEU A 64 -4.168 -1.390 3.457 1.00 0.18 H new ATOM 0 HB3 LEU A 64 -3.978 0.292 3.909 1.00 0.18 H new ATOM 0 HG LEU A 64 -5.167 -1.319 6.080 1.00 0.17 H new ATOM 0 HD11 LEU A 64 -3.084 -2.541 6.601 1.00 0.25 H new ATOM 0 HD12 LEU A 64 -3.751 -3.064 5.036 1.00 0.25 H new ATOM 0 HD13 LEU A 64 -2.357 -1.958 5.084 1.00 0.25 H new ATOM 0 HD21 LEU A 64 -3.392 -0.161 7.350 1.00 0.26 H new ATOM 0 HD22 LEU A 64 -2.664 0.403 5.827 1.00 0.26 H new ATOM 0 HD23 LEU A 64 -4.276 0.982 6.312 1.00 0.26 H new ATOM 991 N MET A 65 -7.211 -2.349 4.794 1.00 0.20 N ATOM 992 CA MET A 65 -7.921 -3.631 4.581 1.00 0.23 C ATOM 993 C MET A 65 -9.063 -3.337 3.620 1.00 0.24 C ATOM 994 O MET A 65 -9.499 -4.178 2.876 1.00 0.27 O ATOM 995 CB MET A 65 -8.483 -4.157 5.899 1.00 0.25 C ATOM 996 CG MET A 65 -7.621 -5.321 6.390 1.00 0.30 C ATOM 997 SD MET A 65 -8.670 -6.765 6.688 1.00 0.84 S ATOM 998 CE MET A 65 -8.369 -6.902 8.468 1.00 1.36 C ATOM 0 H MET A 65 -7.162 -2.018 5.758 1.00 0.20 H new ATOM 0 HA MET A 65 -7.244 -4.387 4.183 1.00 0.23 H new ATOM 0 HB2 MET A 65 -8.498 -3.361 6.644 1.00 0.25 H new ATOM 0 HB3 MET A 65 -9.513 -4.485 5.763 1.00 0.25 H new ATOM 0 HG2 MET A 65 -6.857 -5.560 5.650 1.00 0.30 H new ATOM 0 HG3 MET A 65 -7.101 -5.041 7.306 1.00 0.30 H new ATOM 0 HE1 MET A 65 -9.072 -7.613 8.902 1.00 1.36 H new ATOM 0 HE2 MET A 65 -7.350 -7.249 8.639 1.00 1.36 H new ATOM 0 HE3 MET A 65 -8.504 -5.927 8.936 1.00 1.36 H new ATOM 1008 N GLU A 66 -9.523 -2.115 3.636 1.00 0.25 N ATOM 1009 CA GLU A 66 -10.628 -1.681 2.737 1.00 0.28 C ATOM 1010 C GLU A 66 -10.042 -1.317 1.378 1.00 0.27 C ATOM 1011 O GLU A 66 -10.707 -1.371 0.362 1.00 0.32 O ATOM 1012 CB GLU A 66 -11.295 -0.442 3.331 1.00 0.30 C ATOM 1013 CG GLU A 66 -12.658 -0.819 3.914 1.00 0.40 C ATOM 1014 CD GLU A 66 -12.918 0.005 5.176 1.00 1.45 C ATOM 1015 OE1 GLU A 66 -12.116 -0.080 6.092 1.00 2.29 O ATOM 1016 OE2 GLU A 66 -13.915 0.708 5.206 1.00 2.16 O ATOM 0 H GLU A 66 -9.169 -1.382 4.251 1.00 0.25 H new ATOM 0 HA GLU A 66 -11.358 -2.484 2.630 1.00 0.28 H new ATOM 0 HB2 GLU A 66 -10.662 -0.014 4.108 1.00 0.30 H new ATOM 0 HB3 GLU A 66 -11.416 0.321 2.562 1.00 0.30 H new ATOM 0 HG2 GLU A 66 -13.443 -0.637 3.180 1.00 0.40 H new ATOM 0 HG3 GLU A 66 -12.683 -1.883 4.150 1.00 0.40 H new ATOM 1023 N TYR A 67 -8.797 -0.939 1.359 1.00 0.23 N ATOM 1024 CA TYR A 67 -8.151 -0.560 0.077 1.00 0.23 C ATOM 1025 C TYR A 67 -7.549 -1.829 -0.536 1.00 0.23 C ATOM 1026 O TYR A 67 -8.013 -2.308 -1.545 1.00 0.29 O ATOM 1027 CB TYR A 67 -7.102 0.540 0.373 1.00 0.24 C ATOM 1028 CG TYR A 67 -5.686 0.148 -0.016 1.00 0.25 C ATOM 1029 CD1 TYR A 67 -5.405 -0.313 -1.303 1.00 1.20 C ATOM 1030 CD2 TYR A 67 -4.646 0.294 0.913 1.00 1.20 C ATOM 1031 CE1 TYR A 67 -4.090 -0.639 -1.662 1.00 1.22 C ATOM 1032 CE2 TYR A 67 -3.332 -0.022 0.552 1.00 1.21 C ATOM 1033 CZ TYR A 67 -3.055 -0.490 -0.736 1.00 0.35 C ATOM 1034 OH TYR A 67 -1.760 -0.803 -1.093 1.00 0.41 O ATOM 0 H TYR A 67 -8.197 -0.876 2.181 1.00 0.23 H new ATOM 0 HA TYR A 67 -8.854 -0.147 -0.647 1.00 0.23 H new ATOM 0 HB2 TYR A 67 -7.379 1.448 -0.162 1.00 0.24 H new ATOM 0 HB3 TYR A 67 -7.126 0.777 1.437 1.00 0.24 H new ATOM 0 HD1 TYR A 67 -6.202 -0.419 -2.024 1.00 1.20 H new ATOM 0 HD2 TYR A 67 -4.860 0.651 1.910 1.00 1.20 H new ATOM 0 HE1 TYR A 67 -3.877 -1.006 -2.655 1.00 1.22 H new ATOM 0 HE2 TYR A 67 -2.532 0.095 1.268 1.00 1.21 H new ATOM 0 HH TYR A 67 -1.771 -1.446 -1.833 1.00 0.41 H new ATOM 1044 N LEU A 68 -6.552 -2.398 0.063 1.00 0.23 N ATOM 1045 CA LEU A 68 -5.975 -3.641 -0.489 1.00 0.25 C ATOM 1046 C LEU A 68 -7.096 -4.657 -0.783 1.00 0.24 C ATOM 1047 O LEU A 68 -7.056 -5.347 -1.782 1.00 0.26 O ATOM 1048 CB LEU A 68 -5.057 -4.231 0.570 1.00 0.28 C ATOM 1049 CG LEU A 68 -3.617 -4.370 0.078 1.00 0.34 C ATOM 1050 CD1 LEU A 68 -3.580 -4.748 -1.405 1.00 0.66 C ATOM 1051 CD2 LEU A 68 -2.873 -3.058 0.307 1.00 0.39 C ATOM 0 H LEU A 68 -6.110 -2.054 0.915 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.436 -3.425 -1.411 1.00 0.25 H new ATOM 0 HB2 LEU A 68 -5.076 -3.598 1.457 1.00 0.28 H new ATOM 0 HB3 LEU A 68 -5.433 -5.210 0.869 1.00 0.28 H new ATOM 0 HG LEU A 68 -3.130 -5.167 0.640 1.00 0.34 H new ATOM 0 HD11 LEU A 68 -2.544 -4.841 -1.731 1.00 0.66 H new ATOM 0 HD12 LEU A 68 -4.093 -5.699 -1.551 1.00 0.66 H new ATOM 0 HD13 LEU A 68 -4.077 -3.974 -1.990 1.00 0.66 H new ATOM 0 HD21 LEU A 68 -1.846 -3.156 -0.044 1.00 0.39 H new ATOM 0 HD22 LEU A 68 -3.369 -2.258 -0.242 1.00 0.39 H new ATOM 0 HD23 LEU A 68 -2.872 -2.821 1.371 1.00 0.39 H new ATOM 1063 N GLU A 69 -8.096 -4.774 0.073 1.00 0.25 N ATOM 1064 CA GLU A 69 -9.183 -5.772 -0.210 1.00 0.27 C ATOM 1065 C GLU A 69 -10.082 -5.235 -1.322 1.00 0.24 C ATOM 1066 O GLU A 69 -10.567 -5.970 -2.160 1.00 0.36 O ATOM 1067 CB GLU A 69 -10.001 -6.058 1.061 1.00 0.37 C ATOM 1068 CG GLU A 69 -11.131 -5.035 1.227 1.00 1.18 C ATOM 1069 CD GLU A 69 -12.375 -5.516 0.476 1.00 1.98 C ATOM 1070 OE1 GLU A 69 -13.124 -6.290 1.047 1.00 2.54 O ATOM 1071 OE2 GLU A 69 -12.557 -5.103 -0.657 1.00 2.58 O ATOM 0 H GLU A 69 -8.203 -4.235 0.933 1.00 0.25 H new ATOM 0 HA GLU A 69 -8.734 -6.711 -0.534 1.00 0.27 H new ATOM 0 HB2 GLU A 69 -10.420 -7.063 1.010 1.00 0.37 H new ATOM 0 HB3 GLU A 69 -9.348 -6.029 1.933 1.00 0.37 H new ATOM 0 HG2 GLU A 69 -11.361 -4.901 2.284 1.00 1.18 H new ATOM 0 HG3 GLU A 69 -10.815 -4.064 0.844 1.00 1.18 H new ATOM 1078 N ASN A 70 -10.276 -3.951 -1.350 1.00 0.22 N ATOM 1079 CA ASN A 70 -11.104 -3.328 -2.417 1.00 0.21 C ATOM 1080 C ASN A 70 -10.293 -2.166 -2.987 1.00 0.20 C ATOM 1081 O ASN A 70 -10.656 -1.018 -2.829 1.00 0.21 O ATOM 1082 CB ASN A 70 -12.411 -2.807 -1.817 1.00 0.25 C ATOM 1083 CG ASN A 70 -13.596 -3.500 -2.492 1.00 1.05 C ATOM 1084 OD1 ASN A 70 -13.417 -4.300 -3.390 1.00 1.87 O ATOM 1085 ND2 ASN A 70 -14.809 -3.226 -2.096 1.00 1.71 N ATOM 0 H ASN A 70 -9.891 -3.296 -0.670 1.00 0.22 H new ATOM 0 HA ASN A 70 -11.351 -4.050 -3.196 1.00 0.21 H new ATOM 0 HB2 ASN A 70 -12.430 -2.994 -0.743 1.00 0.25 H new ATOM 0 HB3 ASN A 70 -12.481 -1.728 -1.954 1.00 0.25 H new ATOM 0 HD21 ASN A 70 -15.606 -3.683 -2.540 1.00 1.71 H new ATOM 0 HD22 ASN A 70 -14.960 -2.555 -1.343 1.00 1.71 H new ATOM 1092 N PRO A 71 -9.181 -2.507 -3.590 1.00 0.20 N ATOM 1093 CA PRO A 71 -8.248 -1.514 -4.142 1.00 0.21 C ATOM 1094 C PRO A 71 -8.905 -0.679 -5.243 1.00 0.21 C ATOM 1095 O PRO A 71 -8.877 0.534 -5.207 1.00 0.23 O ATOM 1096 CB PRO A 71 -7.081 -2.341 -4.698 1.00 0.24 C ATOM 1097 CG PRO A 71 -7.457 -3.834 -4.569 1.00 0.25 C ATOM 1098 CD PRO A 71 -8.767 -3.912 -3.776 1.00 0.22 C ATOM 0 HA PRO A 71 -7.923 -0.799 -3.386 1.00 0.21 H new ATOM 0 HB2 PRO A 71 -6.892 -2.083 -5.740 1.00 0.24 H new ATOM 0 HB3 PRO A 71 -6.165 -2.129 -4.146 1.00 0.24 H new ATOM 0 HG2 PRO A 71 -7.577 -4.286 -5.554 1.00 0.25 H new ATOM 0 HG3 PRO A 71 -6.667 -4.386 -4.060 1.00 0.25 H new ATOM 0 HD2 PRO A 71 -9.524 -4.479 -4.318 1.00 0.22 H new ATOM 0 HD3 PRO A 71 -8.620 -4.411 -2.818 1.00 0.22 H new ATOM 1106 N LYS A 72 -9.487 -1.306 -6.222 1.00 0.23 N ATOM 1107 CA LYS A 72 -10.129 -0.522 -7.313 1.00 0.24 C ATOM 1108 C LYS A 72 -11.380 0.178 -6.774 1.00 0.24 C ATOM 1109 O LYS A 72 -12.014 0.952 -7.464 1.00 0.28 O ATOM 1110 CB LYS A 72 -10.521 -1.460 -8.456 1.00 0.28 C ATOM 1111 CG LYS A 72 -10.924 -0.632 -9.678 1.00 1.46 C ATOM 1112 CD LYS A 72 -11.254 -1.569 -10.842 1.00 1.86 C ATOM 1113 CE LYS A 72 -11.973 -0.782 -11.940 1.00 2.68 C ATOM 1114 NZ LYS A 72 -12.285 -1.690 -13.080 1.00 3.19 N ATOM 0 H LYS A 72 -9.547 -2.320 -6.316 1.00 0.23 H new ATOM 0 HA LYS A 72 -9.426 0.225 -7.682 1.00 0.24 H new ATOM 0 HB2 LYS A 72 -9.686 -2.115 -8.706 1.00 0.28 H new ATOM 0 HB3 LYS A 72 -11.348 -2.100 -8.148 1.00 0.28 H new ATOM 0 HG2 LYS A 72 -11.788 -0.011 -9.441 1.00 1.46 H new ATOM 0 HG3 LYS A 72 -10.114 0.042 -9.958 1.00 1.46 H new ATOM 0 HD2 LYS A 72 -10.340 -2.013 -11.236 1.00 1.86 H new ATOM 0 HD3 LYS A 72 -11.883 -2.389 -10.496 1.00 1.86 H new ATOM 0 HE2 LYS A 72 -12.891 -0.345 -11.547 1.00 2.68 H new ATOM 0 HE3 LYS A 72 -11.347 0.043 -12.280 1.00 2.68 H new ATOM 0 HZ1 LYS A 72 -12.774 -1.155 -13.826 1.00 3.19 H new ATOM 0 HZ2 LYS A 72 -11.402 -2.086 -13.460 1.00 3.19 H new ATOM 0 HZ3 LYS A 72 -12.898 -2.463 -12.750 1.00 3.19 H new ATOM 1128 N LYS A 73 -11.744 -0.088 -5.548 1.00 0.23 N ATOM 1129 CA LYS A 73 -12.956 0.563 -4.973 1.00 0.25 C ATOM 1130 C LYS A 73 -12.553 1.478 -3.814 1.00 0.24 C ATOM 1131 O LYS A 73 -13.391 2.024 -3.124 1.00 0.30 O ATOM 1132 CB LYS A 73 -13.917 -0.513 -4.462 1.00 0.27 C ATOM 1133 CG LYS A 73 -15.353 -0.128 -4.823 1.00 0.66 C ATOM 1134 CD LYS A 73 -16.245 -1.370 -4.761 1.00 1.38 C ATOM 1135 CE LYS A 73 -17.503 -1.136 -5.599 1.00 1.87 C ATOM 1136 NZ LYS A 73 -18.704 -1.187 -4.718 1.00 2.54 N ATOM 0 H LYS A 73 -11.255 -0.727 -4.921 1.00 0.23 H new ATOM 0 HA LYS A 73 -13.446 1.156 -5.745 1.00 0.25 H new ATOM 0 HB2 LYS A 73 -13.666 -1.478 -4.902 1.00 0.27 H new ATOM 0 HB3 LYS A 73 -13.819 -0.620 -3.382 1.00 0.27 H new ATOM 0 HG2 LYS A 73 -15.721 0.632 -4.134 1.00 0.66 H new ATOM 0 HG3 LYS A 73 -15.384 0.306 -5.822 1.00 0.66 H new ATOM 0 HD2 LYS A 73 -15.703 -2.239 -5.134 1.00 1.38 H new ATOM 0 HD3 LYS A 73 -16.518 -1.584 -3.728 1.00 1.38 H new ATOM 0 HE2 LYS A 73 -17.446 -0.169 -6.098 1.00 1.87 H new ATOM 0 HE3 LYS A 73 -17.579 -1.893 -6.379 1.00 1.87 H new ATOM 0 HZ1 LYS A 73 -19.559 -1.028 -5.288 1.00 2.54 H new ATOM 0 HZ2 LYS A 73 -18.760 -2.120 -4.262 1.00 2.54 H new ATOM 0 HZ3 LYS A 73 -18.631 -0.449 -3.989 1.00 2.54 H new ATOM 1150 N TYR A 74 -11.278 1.652 -3.591 1.00 0.22 N ATOM 1151 CA TYR A 74 -10.834 2.535 -2.473 1.00 0.24 C ATOM 1152 C TYR A 74 -9.839 3.569 -2.997 1.00 0.24 C ATOM 1153 O TYR A 74 -9.977 4.751 -2.757 1.00 0.27 O ATOM 1154 CB TYR A 74 -10.157 1.694 -1.390 1.00 0.25 C ATOM 1155 CG TYR A 74 -10.784 2.001 -0.053 1.00 0.30 C ATOM 1156 CD1 TYR A 74 -12.176 2.073 0.066 1.00 1.29 C ATOM 1157 CD2 TYR A 74 -9.973 2.216 1.068 1.00 1.18 C ATOM 1158 CE1 TYR A 74 -12.759 2.360 1.306 1.00 1.37 C ATOM 1159 CE2 TYR A 74 -10.555 2.502 2.308 1.00 1.18 C ATOM 1160 CZ TYR A 74 -11.949 2.574 2.428 1.00 0.56 C ATOM 1161 OH TYR A 74 -12.523 2.857 3.650 1.00 0.70 O ATOM 0 H TYR A 74 -10.527 1.223 -4.132 1.00 0.22 H new ATOM 0 HA TYR A 74 -11.703 3.042 -2.054 1.00 0.24 H new ATOM 0 HB2 TYR A 74 -10.262 0.633 -1.619 1.00 0.25 H new ATOM 0 HB3 TYR A 74 -9.089 1.909 -1.361 1.00 0.25 H new ATOM 0 HD1 TYR A 74 -12.801 1.907 -0.799 1.00 1.29 H new ATOM 0 HD2 TYR A 74 -8.898 2.161 0.976 1.00 1.18 H new ATOM 0 HE1 TYR A 74 -13.834 2.416 1.397 1.00 1.37 H new ATOM 0 HE2 TYR A 74 -9.929 2.667 3.173 1.00 1.18 H new ATOM 0 HH TYR A 74 -13.323 2.304 3.772 1.00 0.70 H new ATOM 1171 N ILE A 75 -8.848 3.134 -3.726 1.00 0.22 N ATOM 1172 CA ILE A 75 -7.849 4.089 -4.278 1.00 0.24 C ATOM 1173 C ILE A 75 -7.134 3.438 -5.463 1.00 0.23 C ATOM 1174 O ILE A 75 -7.260 3.919 -6.568 1.00 0.24 O ATOM 1175 CB ILE A 75 -6.840 4.511 -3.206 1.00 0.29 C ATOM 1176 CG1 ILE A 75 -7.513 5.452 -2.211 1.00 0.32 C ATOM 1177 CG2 ILE A 75 -5.670 5.235 -3.878 1.00 0.35 C ATOM 1178 CD1 ILE A 75 -8.076 4.630 -1.048 1.00 0.31 C ATOM 0 H ILE A 75 -8.688 2.155 -3.963 1.00 0.22 H new ATOM 0 HA ILE A 75 -8.366 4.988 -4.614 1.00 0.24 H new ATOM 0 HB ILE A 75 -6.476 3.629 -2.679 1.00 0.29 H new ATOM 0 HG12 ILE A 75 -6.795 6.184 -1.841 1.00 0.32 H new ATOM 0 HG13 ILE A 75 -8.313 6.008 -2.701 1.00 0.32 H new ATOM 0 HG21 ILE A 75 -4.947 5.539 -3.121 1.00 0.35 H new ATOM 0 HG22 ILE A 75 -5.189 4.565 -4.591 1.00 0.35 H new ATOM 0 HG23 ILE A 75 -6.040 6.117 -4.401 1.00 0.35 H new ATOM 0 HD11 ILE A 75 -8.559 5.295 -0.332 1.00 0.31 H new ATOM 0 HD12 ILE A 75 -8.806 3.915 -1.428 1.00 0.31 H new ATOM 0 HD13 ILE A 75 -7.265 4.094 -0.555 1.00 0.31 H new ATOM 1190 N PRO A 76 -6.429 2.351 -5.218 1.00 0.22 N ATOM 1191 CA PRO A 76 -5.733 1.622 -6.287 1.00 0.24 C ATOM 1192 C PRO A 76 -6.645 1.507 -7.493 1.00 0.24 C ATOM 1193 O PRO A 76 -7.381 0.557 -7.659 1.00 0.41 O ATOM 1194 CB PRO A 76 -5.425 0.255 -5.676 1.00 0.27 C ATOM 1195 CG PRO A 76 -5.607 0.399 -4.142 1.00 0.25 C ATOM 1196 CD PRO A 76 -6.260 1.758 -3.881 1.00 0.23 C ATOM 0 HA PRO A 76 -4.824 2.115 -6.632 1.00 0.24 H new ATOM 0 HB2 PRO A 76 -6.095 -0.507 -6.075 1.00 0.27 H new ATOM 0 HB3 PRO A 76 -4.409 -0.056 -5.917 1.00 0.27 H new ATOM 0 HG2 PRO A 76 -6.230 -0.406 -3.753 1.00 0.25 H new ATOM 0 HG3 PRO A 76 -4.645 0.332 -3.634 1.00 0.25 H new ATOM 0 HD2 PRO A 76 -7.218 1.647 -3.373 1.00 0.23 H new ATOM 0 HD3 PRO A 76 -5.633 2.384 -3.246 1.00 0.23 H new ATOM 1204 N GLY A 77 -6.600 2.497 -8.319 1.00 0.29 N ATOM 1205 CA GLY A 77 -7.452 2.528 -9.521 1.00 0.28 C ATOM 1206 C GLY A 77 -7.115 3.815 -10.272 1.00 0.28 C ATOM 1207 O GLY A 77 -7.052 3.849 -11.485 1.00 0.34 O ATOM 0 H GLY A 77 -5.992 3.308 -8.208 1.00 0.29 H new ATOM 0 HA2 GLY A 77 -7.267 1.656 -10.148 1.00 0.28 H new ATOM 0 HA3 GLY A 77 -8.507 2.506 -9.247 1.00 0.28 H new ATOM 1211 N THR A 78 -6.869 4.875 -9.540 1.00 0.26 N ATOM 1212 CA THR A 78 -6.499 6.164 -10.194 1.00 0.28 C ATOM 1213 C THR A 78 -5.143 5.973 -10.878 1.00 0.27 C ATOM 1214 O THR A 78 -5.080 5.639 -12.045 1.00 0.32 O ATOM 1215 CB THR A 78 -6.420 7.319 -9.175 1.00 0.32 C ATOM 1216 OG1 THR A 78 -5.280 8.116 -9.460 1.00 1.41 O ATOM 1217 CG2 THR A 78 -6.323 6.787 -7.742 1.00 1.37 C ATOM 0 H THR A 78 -6.909 4.901 -8.521 1.00 0.26 H new ATOM 0 HA THR A 78 -7.267 6.431 -10.920 1.00 0.28 H new ATOM 0 HB THR A 78 -7.329 7.915 -9.258 1.00 0.32 H new ATOM 0 HG1 THR A 78 -4.992 8.578 -8.645 1.00 1.41 H new ATOM 0 HG21 THR A 78 -6.269 7.624 -7.046 1.00 1.37 H new ATOM 0 HG22 THR A 78 -7.203 6.185 -7.517 1.00 1.37 H new ATOM 0 HG23 THR A 78 -5.428 6.173 -7.642 1.00 1.37 H new ATOM 1225 N LYS A 79 -4.051 6.146 -10.173 1.00 0.23 N ATOM 1226 CA LYS A 79 -2.728 5.924 -10.830 1.00 0.25 C ATOM 1227 C LYS A 79 -2.334 4.463 -10.657 1.00 0.24 C ATOM 1228 O LYS A 79 -1.910 3.809 -11.590 1.00 0.30 O ATOM 1229 CB LYS A 79 -1.651 6.801 -10.198 1.00 0.27 C ATOM 1230 CG LYS A 79 -1.933 8.270 -10.519 1.00 0.51 C ATOM 1231 CD LYS A 79 -0.675 8.916 -11.102 1.00 0.91 C ATOM 1232 CE LYS A 79 -0.970 10.373 -11.466 1.00 1.36 C ATOM 1233 NZ LYS A 79 -0.030 10.820 -12.531 1.00 1.92 N ATOM 0 H LYS A 79 -4.018 6.425 -9.193 1.00 0.23 H new ATOM 0 HA LYS A 79 -2.814 6.181 -11.886 1.00 0.25 H new ATOM 0 HB2 LYS A 79 -1.633 6.651 -9.119 1.00 0.27 H new ATOM 0 HB3 LYS A 79 -0.669 6.518 -10.576 1.00 0.27 H new ATOM 0 HG2 LYS A 79 -2.756 8.346 -11.229 1.00 0.51 H new ATOM 0 HG3 LYS A 79 -2.241 8.798 -9.616 1.00 0.51 H new ATOM 0 HD2 LYS A 79 0.139 8.869 -10.379 1.00 0.91 H new ATOM 0 HD3 LYS A 79 -0.349 8.368 -11.986 1.00 0.91 H new ATOM 0 HE2 LYS A 79 -1.999 10.471 -11.810 1.00 1.36 H new ATOM 0 HE3 LYS A 79 -0.866 11.007 -10.585 1.00 1.36 H new ATOM 0 HZ1 LYS A 79 -0.231 11.810 -12.778 1.00 1.92 H new ATOM 0 HZ2 LYS A 79 0.948 10.741 -12.186 1.00 1.92 H new ATOM 0 HZ3 LYS A 79 -0.150 10.222 -13.373 1.00 1.92 H new ATOM 1247 N MET A 80 -2.472 3.942 -9.468 1.00 0.24 N ATOM 1248 CA MET A 80 -2.107 2.521 -9.240 1.00 0.27 C ATOM 1249 C MET A 80 -2.665 1.681 -10.384 1.00 0.31 C ATOM 1250 O MET A 80 -3.845 1.709 -10.672 1.00 0.48 O ATOM 1251 CB MET A 80 -2.694 2.038 -7.914 1.00 0.30 C ATOM 1252 CG MET A 80 -1.912 0.814 -7.431 1.00 0.27 C ATOM 1253 SD MET A 80 -1.193 1.156 -5.806 1.00 0.35 S ATOM 1254 CE MET A 80 -2.724 1.049 -4.858 1.00 0.68 C ATOM 0 H MET A 80 -2.821 4.440 -8.649 1.00 0.24 H new ATOM 0 HA MET A 80 -1.022 2.423 -9.201 1.00 0.27 H new ATOM 0 HB2 MET A 80 -2.644 2.833 -7.170 1.00 0.30 H new ATOM 0 HB3 MET A 80 -3.747 1.785 -8.040 1.00 0.30 H new ATOM 0 HG2 MET A 80 -2.571 -0.052 -7.373 1.00 0.27 H new ATOM 0 HG3 MET A 80 -1.125 0.568 -8.144 1.00 0.27 H new ATOM 0 HE1 MET A 80 -2.492 0.822 -3.817 1.00 0.68 H new ATOM 0 HE2 MET A 80 -3.253 2.000 -4.913 1.00 0.68 H new ATOM 0 HE3 MET A 80 -3.353 0.260 -5.270 1.00 0.68 H new ATOM 1264 N ILE A 81 -1.825 0.939 -11.038 1.00 0.25 N ATOM 1265 CA ILE A 81 -2.303 0.096 -12.170 1.00 0.30 C ATOM 1266 C ILE A 81 -2.662 -1.295 -11.624 1.00 0.47 C ATOM 1267 O ILE A 81 -2.843 -2.247 -12.358 1.00 0.93 O ATOM 1268 CB ILE A 81 -1.212 0.036 -13.275 1.00 0.24 C ATOM 1269 CG1 ILE A 81 -1.159 -1.348 -13.931 1.00 0.37 C ATOM 1270 CG2 ILE A 81 0.162 0.356 -12.685 1.00 0.21 C ATOM 1271 CD1 ILE A 81 -0.229 -1.302 -15.146 1.00 0.86 C ATOM 0 H ILE A 81 -0.826 0.877 -10.841 1.00 0.25 H new ATOM 0 HA ILE A 81 -3.196 0.524 -12.627 1.00 0.30 H new ATOM 0 HB ILE A 81 -1.473 0.777 -14.031 1.00 0.24 H new ATOM 0 HG12 ILE A 81 -0.803 -2.088 -13.215 1.00 0.37 H new ATOM 0 HG13 ILE A 81 -2.159 -1.656 -14.237 1.00 0.37 H new ATOM 0 HG21 ILE A 81 0.915 0.310 -13.471 1.00 0.21 H new ATOM 0 HG22 ILE A 81 0.149 1.357 -12.254 1.00 0.21 H new ATOM 0 HG23 ILE A 81 0.403 -0.370 -11.909 1.00 0.21 H new ATOM 0 HD11 ILE A 81 -0.191 -2.286 -15.613 1.00 0.86 H new ATOM 0 HD12 ILE A 81 -0.605 -0.574 -15.865 1.00 0.86 H new ATOM 0 HD13 ILE A 81 0.772 -1.013 -14.827 1.00 0.86 H new ATOM 1283 N PHE A 82 -2.802 -1.415 -10.330 1.00 0.45 N ATOM 1284 CA PHE A 82 -3.171 -2.735 -9.754 1.00 0.62 C ATOM 1285 C PHE A 82 -4.498 -2.605 -9.003 1.00 0.90 C ATOM 1286 O PHE A 82 -4.904 -1.524 -8.623 1.00 1.88 O ATOM 1287 CB PHE A 82 -2.043 -3.235 -8.834 1.00 0.50 C ATOM 1288 CG PHE A 82 -2.344 -3.004 -7.373 1.00 0.35 C ATOM 1289 CD1 PHE A 82 -3.336 -3.758 -6.738 1.00 1.21 C ATOM 1290 CD2 PHE A 82 -1.621 -2.050 -6.654 1.00 1.20 C ATOM 1291 CE1 PHE A 82 -3.611 -3.553 -5.385 1.00 1.18 C ATOM 1292 CE2 PHE A 82 -1.893 -1.847 -5.300 1.00 1.24 C ATOM 1293 CZ PHE A 82 -2.891 -2.598 -4.663 1.00 0.38 C ATOM 0 H PHE A 82 -2.677 -0.661 -9.654 1.00 0.45 H new ATOM 0 HA PHE A 82 -3.300 -3.470 -10.549 1.00 0.62 H new ATOM 0 HB2 PHE A 82 -1.884 -4.300 -9.005 1.00 0.50 H new ATOM 0 HB3 PHE A 82 -1.114 -2.728 -9.095 1.00 0.50 H new ATOM 0 HD1 PHE A 82 -3.890 -4.499 -7.295 1.00 1.21 H new ATOM 0 HD2 PHE A 82 -0.853 -1.470 -7.144 1.00 1.20 H new ATOM 0 HE1 PHE A 82 -4.380 -4.133 -4.896 1.00 1.18 H new ATOM 0 HE2 PHE A 82 -1.334 -1.110 -4.742 1.00 1.24 H new ATOM 0 HZ PHE A 82 -3.103 -2.438 -3.616 1.00 0.38 H new ATOM 1303 N ALA A 83 -5.189 -3.694 -8.807 1.00 0.65 N ATOM 1304 CA ALA A 83 -6.494 -3.620 -8.111 1.00 0.73 C ATOM 1305 C ALA A 83 -6.999 -5.027 -7.782 1.00 0.99 C ATOM 1306 O ALA A 83 -8.186 -5.253 -7.652 1.00 1.72 O ATOM 1307 CB ALA A 83 -7.506 -2.914 -9.013 1.00 0.86 C ATOM 0 H ALA A 83 -4.903 -4.628 -9.100 1.00 0.65 H new ATOM 0 HA ALA A 83 -6.372 -3.063 -7.182 1.00 0.73 H new ATOM 0 HB1 ALA A 83 -8.469 -2.857 -8.505 1.00 0.86 H new ATOM 0 HB2 ALA A 83 -7.154 -1.907 -9.237 1.00 0.86 H new ATOM 0 HB3 ALA A 83 -7.618 -3.474 -9.942 1.00 0.86 H new ATOM 1313 N GLY A 84 -6.114 -5.976 -7.645 1.00 1.01 N ATOM 1314 CA GLY A 84 -6.560 -7.362 -7.325 1.00 1.32 C ATOM 1315 C GLY A 84 -5.371 -8.321 -7.418 1.00 1.03 C ATOM 1316 O GLY A 84 -4.323 -7.979 -7.928 1.00 1.08 O ATOM 0 H GLY A 84 -5.106 -5.853 -7.740 1.00 1.01 H new ATOM 0 HA2 GLY A 84 -6.988 -7.394 -6.323 1.00 1.32 H new ATOM 0 HA3 GLY A 84 -7.344 -7.671 -8.017 1.00 1.32 H new ATOM 1320 N ILE A 85 -5.529 -9.520 -6.928 1.00 0.92 N ATOM 1321 CA ILE A 85 -4.412 -10.505 -6.988 1.00 0.77 C ATOM 1322 C ILE A 85 -4.938 -11.835 -7.532 1.00 0.79 C ATOM 1323 O ILE A 85 -6.127 -12.022 -7.696 1.00 1.05 O ATOM 1324 CB ILE A 85 -3.843 -10.716 -5.584 1.00 0.88 C ATOM 1325 CG1 ILE A 85 -3.555 -9.357 -4.941 1.00 1.53 C ATOM 1326 CG2 ILE A 85 -2.545 -11.520 -5.674 1.00 0.72 C ATOM 1327 CD1 ILE A 85 -4.146 -9.325 -3.530 1.00 2.13 C ATOM 0 H ILE A 85 -6.384 -9.860 -6.488 1.00 0.92 H new ATOM 0 HA ILE A 85 -3.627 -10.128 -7.644 1.00 0.77 H new ATOM 0 HB ILE A 85 -4.567 -11.261 -4.978 1.00 0.88 H new ATOM 0 HG12 ILE A 85 -2.480 -9.182 -4.901 1.00 1.53 H new ATOM 0 HG13 ILE A 85 -3.985 -8.558 -5.545 1.00 1.53 H new ATOM 0 HG21 ILE A 85 -2.140 -11.670 -4.673 1.00 0.72 H new ATOM 0 HG22 ILE A 85 -2.748 -12.488 -6.132 1.00 0.72 H new ATOM 0 HG23 ILE A 85 -1.821 -10.976 -6.281 1.00 0.72 H new ATOM 0 HD11 ILE A 85 -3.941 -8.358 -3.072 1.00 2.13 H new ATOM 0 HD12 ILE A 85 -5.224 -9.481 -3.583 1.00 2.13 H new ATOM 0 HD13 ILE A 85 -3.695 -10.114 -2.929 1.00 2.13 H new ATOM 1339 N LYS A 86 -4.062 -12.760 -7.814 1.00 0.89 N ATOM 1340 CA LYS A 86 -4.514 -14.076 -8.349 1.00 0.96 C ATOM 1341 C LYS A 86 -5.658 -14.617 -7.488 1.00 0.83 C ATOM 1342 O LYS A 86 -6.801 -14.632 -7.897 1.00 0.96 O ATOM 1343 CB LYS A 86 -3.346 -15.064 -8.325 1.00 1.23 C ATOM 1344 CG LYS A 86 -3.165 -15.674 -9.717 1.00 1.75 C ATOM 1345 CD LYS A 86 -1.693 -16.036 -9.927 1.00 2.15 C ATOM 1346 CE LYS A 86 -1.523 -16.704 -11.294 1.00 2.58 C ATOM 1347 NZ LYS A 86 -0.317 -17.579 -11.272 1.00 3.08 N ATOM 0 H LYS A 86 -3.053 -12.662 -7.697 1.00 0.89 H new ATOM 0 HA LYS A 86 -4.863 -13.949 -9.374 1.00 0.96 H new ATOM 0 HB2 LYS A 86 -2.432 -14.556 -8.017 1.00 1.23 H new ATOM 0 HB3 LYS A 86 -3.535 -15.850 -7.594 1.00 1.23 H new ATOM 0 HG2 LYS A 86 -3.788 -16.563 -9.820 1.00 1.75 H new ATOM 0 HG3 LYS A 86 -3.489 -14.967 -10.481 1.00 1.75 H new ATOM 0 HD2 LYS A 86 -1.075 -15.140 -9.869 1.00 2.15 H new ATOM 0 HD3 LYS A 86 -1.356 -16.708 -9.137 1.00 2.15 H new ATOM 0 HE2 LYS A 86 -2.408 -17.292 -11.536 1.00 2.58 H new ATOM 0 HE3 LYS A 86 -1.422 -15.946 -12.071 1.00 2.58 H new ATOM 0 HZ1 LYS A 86 -0.201 -18.033 -12.200 1.00 3.08 H new ATOM 0 HZ2 LYS A 86 0.524 -17.006 -11.059 1.00 3.08 H new ATOM 0 HZ3 LYS A 86 -0.432 -18.310 -10.541 1.00 3.08 H new ATOM 1361 N LYS A 87 -5.359 -15.063 -6.298 1.00 0.85 N ATOM 1362 CA LYS A 87 -6.431 -15.606 -5.415 1.00 0.97 C ATOM 1363 C LYS A 87 -7.262 -14.452 -4.848 1.00 0.93 C ATOM 1364 O LYS A 87 -8.212 -14.001 -5.458 1.00 1.38 O ATOM 1365 CB LYS A 87 -5.796 -16.394 -4.267 1.00 1.23 C ATOM 1366 CG LYS A 87 -5.100 -17.637 -4.825 1.00 1.66 C ATOM 1367 CD LYS A 87 -4.650 -18.531 -3.668 1.00 2.04 C ATOM 1368 CE LYS A 87 -4.236 -19.900 -4.213 1.00 2.59 C ATOM 1369 NZ LYS A 87 -3.948 -20.820 -3.077 1.00 3.22 N ATOM 0 H LYS A 87 -4.420 -15.075 -5.899 1.00 0.85 H new ATOM 0 HA LYS A 87 -7.078 -16.266 -5.993 1.00 0.97 H new ATOM 0 HB2 LYS A 87 -5.077 -15.769 -3.737 1.00 1.23 H new ATOM 0 HB3 LYS A 87 -6.559 -16.685 -3.545 1.00 1.23 H new ATOM 0 HG2 LYS A 87 -5.779 -18.184 -5.479 1.00 1.66 H new ATOM 0 HG3 LYS A 87 -4.241 -17.346 -5.429 1.00 1.66 H new ATOM 0 HD2 LYS A 87 -3.815 -18.070 -3.141 1.00 2.04 H new ATOM 0 HD3 LYS A 87 -5.459 -18.644 -2.946 1.00 2.04 H new ATOM 0 HE2 LYS A 87 -5.031 -20.311 -4.835 1.00 2.59 H new ATOM 0 HE3 LYS A 87 -3.355 -19.800 -4.846 1.00 2.59 H new ATOM 0 HZ1 LYS A 87 -3.667 -21.750 -3.447 1.00 3.22 H new ATOM 0 HZ2 LYS A 87 -3.176 -20.429 -2.500 1.00 3.22 H new ATOM 0 HZ3 LYS A 87 -4.800 -20.924 -2.490 1.00 3.22 H new ATOM 1383 N LYS A 88 -6.915 -13.969 -3.686 1.00 0.70 N ATOM 1384 CA LYS A 88 -7.689 -12.846 -3.084 1.00 0.73 C ATOM 1385 C LYS A 88 -7.073 -12.470 -1.735 1.00 0.60 C ATOM 1386 O LYS A 88 -6.901 -11.309 -1.423 1.00 0.65 O ATOM 1387 CB LYS A 88 -9.142 -13.280 -2.878 1.00 1.01 C ATOM 1388 CG LYS A 88 -10.028 -12.617 -3.935 1.00 1.57 C ATOM 1389 CD LYS A 88 -11.161 -13.570 -4.321 1.00 2.11 C ATOM 1390 CE LYS A 88 -12.503 -12.955 -3.919 1.00 2.67 C ATOM 1391 NZ LYS A 88 -13.594 -13.940 -4.161 1.00 3.21 N ATOM 0 H LYS A 88 -6.129 -14.303 -3.128 1.00 0.70 H new ATOM 0 HA LYS A 88 -7.659 -11.984 -3.751 1.00 0.73 H new ATOM 0 HB2 LYS A 88 -9.222 -14.365 -2.949 1.00 1.01 H new ATOM 0 HB3 LYS A 88 -9.478 -13.001 -1.879 1.00 1.01 H new ATOM 0 HG2 LYS A 88 -10.439 -11.685 -3.548 1.00 1.57 H new ATOM 0 HG3 LYS A 88 -9.436 -12.364 -4.814 1.00 1.57 H new ATOM 0 HD2 LYS A 88 -11.142 -13.759 -5.394 1.00 2.11 H new ATOM 0 HD3 LYS A 88 -11.026 -14.532 -3.826 1.00 2.11 H new ATOM 0 HE2 LYS A 88 -12.484 -12.669 -2.867 1.00 2.67 H new ATOM 0 HE3 LYS A 88 -12.685 -12.046 -4.493 1.00 2.67 H new ATOM 0 HZ1 LYS A 88 -14.506 -13.522 -3.888 1.00 3.21 H new ATOM 0 HZ2 LYS A 88 -13.617 -14.192 -5.170 1.00 3.21 H new ATOM 0 HZ3 LYS A 88 -13.422 -14.795 -3.595 1.00 3.21 H new ATOM 1405 N THR A 89 -6.738 -13.444 -0.933 1.00 0.56 N ATOM 1406 CA THR A 89 -6.132 -13.142 0.394 1.00 0.57 C ATOM 1407 C THR A 89 -4.721 -12.582 0.195 1.00 0.42 C ATOM 1408 O THR A 89 -4.073 -12.161 1.132 1.00 0.36 O ATOM 1409 CB THR A 89 -6.058 -14.425 1.225 1.00 0.75 C ATOM 1410 OG1 THR A 89 -5.176 -15.344 0.596 1.00 1.45 O ATOM 1411 CG2 THR A 89 -7.451 -15.044 1.337 1.00 1.51 C ATOM 0 H THR A 89 -6.858 -14.436 -1.140 1.00 0.56 H new ATOM 0 HA THR A 89 -6.745 -12.406 0.914 1.00 0.57 H new ATOM 0 HB THR A 89 -5.687 -14.191 2.223 1.00 0.75 H new ATOM 0 HG1 THR A 89 -5.126 -16.166 1.128 1.00 1.45 H new ATOM 0 HG21 THR A 89 -7.397 -15.958 1.929 1.00 1.51 H new ATOM 0 HG22 THR A 89 -8.125 -14.337 1.821 1.00 1.51 H new ATOM 0 HG23 THR A 89 -7.826 -15.279 0.341 1.00 1.51 H new ATOM 1419 N GLU A 90 -4.240 -12.576 -1.018 1.00 0.45 N ATOM 1420 CA GLU A 90 -2.872 -12.046 -1.274 1.00 0.38 C ATOM 1421 C GLU A 90 -2.768 -10.615 -0.742 1.00 0.31 C ATOM 1422 O GLU A 90 -1.688 -10.097 -0.538 1.00 0.36 O ATOM 1423 CB GLU A 90 -2.596 -12.050 -2.779 1.00 0.44 C ATOM 1424 CG GLU A 90 -2.136 -13.443 -3.210 1.00 1.21 C ATOM 1425 CD GLU A 90 -0.633 -13.417 -3.497 1.00 1.64 C ATOM 1426 OE1 GLU A 90 -0.256 -12.888 -4.529 1.00 2.31 O ATOM 1427 OE2 GLU A 90 0.115 -13.928 -2.679 1.00 2.22 O ATOM 0 H GLU A 90 -4.736 -12.915 -1.842 1.00 0.45 H new ATOM 0 HA GLU A 90 -2.140 -12.675 -0.767 1.00 0.38 H new ATOM 0 HB2 GLU A 90 -3.496 -11.768 -3.325 1.00 0.44 H new ATOM 0 HB3 GLU A 90 -1.831 -11.312 -3.021 1.00 0.44 H new ATOM 0 HG2 GLU A 90 -2.355 -14.169 -2.427 1.00 1.21 H new ATOM 0 HG3 GLU A 90 -2.682 -13.759 -4.099 1.00 1.21 H new ATOM 1434 N ARG A 91 -3.880 -9.969 -0.516 1.00 0.31 N ATOM 1435 CA ARG A 91 -3.832 -8.573 0.002 1.00 0.33 C ATOM 1436 C ARG A 91 -3.501 -8.595 1.496 1.00 0.29 C ATOM 1437 O ARG A 91 -2.777 -7.753 1.993 1.00 0.30 O ATOM 1438 CB ARG A 91 -5.185 -7.888 -0.223 1.00 0.48 C ATOM 1439 CG ARG A 91 -6.273 -8.586 0.599 1.00 0.87 C ATOM 1440 CD ARG A 91 -6.480 -7.837 1.920 1.00 0.55 C ATOM 1441 NE ARG A 91 -7.815 -8.182 2.484 1.00 0.78 N ATOM 1442 CZ ARG A 91 -8.122 -9.428 2.721 1.00 1.19 C ATOM 1443 NH1 ARG A 91 -7.182 -10.330 2.788 1.00 2.04 N ATOM 1444 NH2 ARG A 91 -9.370 -9.771 2.891 1.00 1.77 N ATOM 0 H ARG A 91 -4.816 -10.346 -0.667 1.00 0.31 H new ATOM 0 HA ARG A 91 -3.061 -8.016 -0.530 1.00 0.33 H new ATOM 0 HB2 ARG A 91 -5.121 -6.838 0.062 1.00 0.48 H new ATOM 0 HB3 ARG A 91 -5.444 -7.916 -1.281 1.00 0.48 H new ATOM 0 HG2 ARG A 91 -7.206 -8.615 0.036 1.00 0.87 H new ATOM 0 HG3 ARG A 91 -5.987 -9.619 0.796 1.00 0.87 H new ATOM 0 HD2 ARG A 91 -5.695 -8.103 2.628 1.00 0.55 H new ATOM 0 HD3 ARG A 91 -6.410 -6.762 1.755 1.00 0.55 H new ATOM 0 HE ARG A 91 -8.490 -7.444 2.685 1.00 0.78 H new ATOM 0 HH11 ARG A 91 -6.207 -10.061 2.655 1.00 2.04 H new ATOM 0 HH12 ARG A 91 -7.422 -11.304 2.973 1.00 2.04 H new ATOM 0 HH21 ARG A 91 -10.105 -9.065 2.839 1.00 1.77 H new ATOM 0 HH22 ARG A 91 -9.611 -10.745 3.076 1.00 1.77 H new ATOM 1458 N GLU A 92 -4.012 -9.556 2.215 1.00 0.28 N ATOM 1459 CA GLU A 92 -3.715 -9.630 3.671 1.00 0.27 C ATOM 1460 C GLU A 92 -2.218 -9.859 3.862 1.00 0.24 C ATOM 1461 O GLU A 92 -1.618 -9.377 4.802 1.00 0.24 O ATOM 1462 CB GLU A 92 -4.494 -10.790 4.295 1.00 0.32 C ATOM 1463 CG GLU A 92 -5.496 -10.243 5.313 1.00 0.82 C ATOM 1464 CD GLU A 92 -5.846 -11.337 6.323 1.00 1.13 C ATOM 1465 OE1 GLU A 92 -5.502 -12.480 6.071 1.00 1.86 O ATOM 1466 OE2 GLU A 92 -6.451 -11.013 7.332 1.00 1.68 O ATOM 0 H GLU A 92 -4.621 -10.292 1.857 1.00 0.28 H new ATOM 0 HA GLU A 92 -4.010 -8.699 4.155 1.00 0.27 H new ATOM 0 HB2 GLU A 92 -5.016 -11.350 3.519 1.00 0.32 H new ATOM 0 HB3 GLU A 92 -3.807 -11.483 4.781 1.00 0.32 H new ATOM 0 HG2 GLU A 92 -5.073 -9.380 5.828 1.00 0.82 H new ATOM 0 HG3 GLU A 92 -6.397 -9.901 4.804 1.00 0.82 H new ATOM 1473 N ASP A 93 -1.608 -10.594 2.972 1.00 0.24 N ATOM 1474 CA ASP A 93 -0.149 -10.856 3.098 1.00 0.24 C ATOM 1475 C ASP A 93 0.613 -9.536 3.037 1.00 0.20 C ATOM 1476 O ASP A 93 1.595 -9.338 3.731 1.00 0.17 O ATOM 1477 CB ASP A 93 0.310 -11.767 1.956 1.00 0.28 C ATOM 1478 CG ASP A 93 0.025 -13.225 2.320 1.00 0.36 C ATOM 1479 OD1 ASP A 93 -0.809 -13.448 3.183 1.00 1.11 O ATOM 1480 OD2 ASP A 93 0.646 -14.094 1.731 1.00 1.14 O ATOM 0 H ASP A 93 -2.058 -11.024 2.164 1.00 0.24 H new ATOM 0 HA ASP A 93 0.050 -11.345 4.052 1.00 0.24 H new ATOM 0 HB2 ASP A 93 -0.209 -11.503 1.035 1.00 0.28 H new ATOM 0 HB3 ASP A 93 1.375 -11.629 1.772 1.00 0.28 H new ATOM 1485 N LEU A 94 0.174 -8.620 2.224 1.00 0.21 N ATOM 1486 CA LEU A 94 0.891 -7.323 2.153 1.00 0.19 C ATOM 1487 C LEU A 94 0.702 -6.588 3.465 1.00 0.15 C ATOM 1488 O LEU A 94 1.577 -5.891 3.928 1.00 0.14 O ATOM 1489 CB LEU A 94 0.348 -6.444 1.041 1.00 0.22 C ATOM 1490 CG LEU A 94 1.086 -5.110 1.118 1.00 0.20 C ATOM 1491 CD1 LEU A 94 1.911 -4.929 -0.149 1.00 0.31 C ATOM 1492 CD2 LEU A 94 0.086 -3.965 1.255 1.00 0.16 C ATOM 0 H LEU A 94 -0.638 -8.711 1.614 1.00 0.21 H new ATOM 0 HA LEU A 94 1.943 -7.530 1.956 1.00 0.19 H new ATOM 0 HB2 LEU A 94 0.502 -6.913 0.069 1.00 0.22 H new ATOM 0 HB3 LEU A 94 -0.726 -6.297 1.157 1.00 0.22 H new ATOM 0 HG LEU A 94 1.742 -5.105 1.989 1.00 0.20 H new ATOM 0 HD11 LEU A 94 2.443 -3.978 -0.104 1.00 0.31 H new ATOM 0 HD12 LEU A 94 2.630 -5.743 -0.234 1.00 0.31 H new ATOM 0 HD13 LEU A 94 1.251 -4.935 -1.017 1.00 0.31 H new ATOM 0 HD21 LEU A 94 0.623 -3.018 1.309 1.00 0.16 H new ATOM 0 HD22 LEU A 94 -0.578 -3.957 0.391 1.00 0.16 H new ATOM 0 HD23 LEU A 94 -0.501 -4.102 2.163 1.00 0.16 H new ATOM 1504 N ILE A 95 -0.433 -6.735 4.073 1.00 0.16 N ATOM 1505 CA ILE A 95 -0.645 -6.044 5.361 1.00 0.15 C ATOM 1506 C ILE A 95 0.433 -6.528 6.314 1.00 0.14 C ATOM 1507 O ILE A 95 0.776 -5.874 7.273 1.00 0.15 O ATOM 1508 CB ILE A 95 -2.018 -6.379 5.913 1.00 0.19 C ATOM 1509 CG1 ILE A 95 -3.039 -6.363 4.776 1.00 0.22 C ATOM 1510 CG2 ILE A 95 -2.397 -5.333 6.957 1.00 0.22 C ATOM 1511 CD1 ILE A 95 -4.447 -6.414 5.363 1.00 0.89 C ATOM 0 H ILE A 95 -1.215 -7.298 3.738 1.00 0.16 H new ATOM 0 HA ILE A 95 -0.590 -4.963 5.233 1.00 0.15 H new ATOM 0 HB ILE A 95 -2.005 -7.368 6.370 1.00 0.19 H new ATOM 0 HG12 ILE A 95 -2.916 -5.463 4.174 1.00 0.22 H new ATOM 0 HG13 ILE A 95 -2.877 -7.214 4.114 1.00 0.22 H new ATOM 0 HG21 ILE A 95 -3.383 -5.563 7.361 1.00 0.22 H new ATOM 0 HG22 ILE A 95 -1.663 -5.341 7.763 1.00 0.22 H new ATOM 0 HG23 ILE A 95 -2.416 -4.347 6.493 1.00 0.22 H new ATOM 0 HD11 ILE A 95 -5.179 -6.403 4.555 1.00 0.89 H new ATOM 0 HD12 ILE A 95 -4.565 -7.327 5.947 1.00 0.89 H new ATOM 0 HD13 ILE A 95 -4.604 -5.549 6.007 1.00 0.89 H new ATOM 1523 N ALA A 96 1.000 -7.665 6.028 1.00 0.14 N ATOM 1524 CA ALA A 96 2.093 -8.174 6.882 1.00 0.15 C ATOM 1525 C ALA A 96 3.346 -7.404 6.482 1.00 0.13 C ATOM 1526 O ALA A 96 4.183 -7.070 7.297 1.00 0.13 O ATOM 1527 CB ALA A 96 2.299 -9.669 6.629 1.00 0.17 C ATOM 0 H ALA A 96 0.750 -8.260 5.238 1.00 0.14 H new ATOM 0 HA ALA A 96 1.865 -8.040 7.939 1.00 0.15 H new ATOM 0 HB1 ALA A 96 3.106 -10.037 7.262 1.00 0.17 H new ATOM 0 HB2 ALA A 96 1.380 -10.207 6.862 1.00 0.17 H new ATOM 0 HB3 ALA A 96 2.557 -9.829 5.582 1.00 0.17 H new ATOM 1533 N TYR A 97 3.460 -7.108 5.212 1.00 0.13 N ATOM 1534 CA TYR A 97 4.639 -6.340 4.718 1.00 0.12 C ATOM 1535 C TYR A 97 4.686 -4.975 5.397 1.00 0.11 C ATOM 1536 O TYR A 97 5.727 -4.510 5.812 1.00 0.11 O ATOM 1537 CB TYR A 97 4.540 -6.115 3.210 1.00 0.12 C ATOM 1538 CG TYR A 97 5.692 -5.236 2.780 1.00 0.12 C ATOM 1539 CD1 TYR A 97 6.998 -5.583 3.138 1.00 0.12 C ATOM 1540 CD2 TYR A 97 5.459 -4.072 2.039 1.00 0.11 C ATOM 1541 CE1 TYR A 97 8.070 -4.777 2.756 1.00 0.12 C ATOM 1542 CE2 TYR A 97 6.534 -3.261 1.657 1.00 0.12 C ATOM 1543 CZ TYR A 97 7.842 -3.618 2.016 1.00 0.12 C ATOM 1544 OH TYR A 97 8.907 -2.829 1.644 1.00 0.13 O ATOM 0 H TYR A 97 2.783 -7.367 4.494 1.00 0.13 H new ATOM 0 HA TYR A 97 5.537 -6.914 4.947 1.00 0.12 H new ATOM 0 HB2 TYR A 97 4.573 -7.068 2.682 1.00 0.12 H new ATOM 0 HB3 TYR A 97 3.590 -5.644 2.959 1.00 0.12 H new ATOM 0 HD1 TYR A 97 7.178 -6.479 3.713 1.00 0.12 H new ATOM 0 HD2 TYR A 97 4.451 -3.800 1.762 1.00 0.11 H new ATOM 0 HE1 TYR A 97 9.077 -5.051 3.034 1.00 0.12 H new ATOM 0 HE2 TYR A 97 6.356 -2.361 1.086 1.00 0.12 H new ATOM 0 HH TYR A 97 8.811 -2.573 0.703 1.00 0.13 H new ATOM 1554 N LEU A 98 3.563 -4.323 5.489 1.00 0.11 N ATOM 1555 CA LEU A 98 3.525 -2.976 6.111 1.00 0.11 C ATOM 1556 C LEU A 98 3.320 -3.107 7.613 1.00 0.11 C ATOM 1557 O LEU A 98 4.147 -2.683 8.390 1.00 0.11 O ATOM 1558 CB LEU A 98 2.377 -2.178 5.502 1.00 0.11 C ATOM 1559 CG LEU A 98 2.338 -2.411 3.991 1.00 0.11 C ATOM 1560 CD1 LEU A 98 0.937 -2.076 3.477 1.00 0.12 C ATOM 1561 CD2 LEU A 98 3.375 -1.517 3.316 1.00 0.11 C ATOM 0 H LEU A 98 2.663 -4.670 5.157 1.00 0.11 H new ATOM 0 HA LEU A 98 4.468 -2.461 5.926 1.00 0.11 H new ATOM 0 HB2 LEU A 98 1.431 -2.480 5.952 1.00 0.11 H new ATOM 0 HB3 LEU A 98 2.506 -1.117 5.714 1.00 0.11 H new ATOM 0 HG LEU A 98 2.568 -3.452 3.763 1.00 0.11 H new ATOM 0 HD11 LEU A 98 0.896 -2.238 2.400 1.00 0.12 H new ATOM 0 HD12 LEU A 98 0.206 -2.718 3.969 1.00 0.12 H new ATOM 0 HD13 LEU A 98 0.709 -1.033 3.696 1.00 0.12 H new ATOM 0 HD21 LEU A 98 3.350 -1.680 2.239 1.00 0.11 H new ATOM 0 HD22 LEU A 98 3.149 -0.472 3.530 1.00 0.11 H new ATOM 0 HD23 LEU A 98 4.367 -1.759 3.697 1.00 0.11 H new ATOM 1573 N LYS A 99 2.224 -3.689 8.025 1.00 0.12 N ATOM 1574 CA LYS A 99 1.960 -3.860 9.487 1.00 0.13 C ATOM 1575 C LYS A 99 3.289 -4.096 10.206 1.00 0.12 C ATOM 1576 O LYS A 99 3.521 -3.608 11.295 1.00 0.14 O ATOM 1577 CB LYS A 99 1.043 -5.067 9.699 1.00 0.15 C ATOM 1578 CG LYS A 99 0.865 -5.317 11.197 1.00 0.17 C ATOM 1579 CD LYS A 99 0.097 -6.624 11.405 1.00 0.73 C ATOM 1580 CE LYS A 99 0.367 -7.156 12.814 1.00 1.32 C ATOM 1581 NZ LYS A 99 -0.311 -8.471 12.986 1.00 2.03 N ATOM 0 H LYS A 99 1.497 -4.055 7.410 1.00 0.12 H new ATOM 0 HA LYS A 99 1.479 -2.967 9.885 1.00 0.13 H new ATOM 0 HB2 LYS A 99 0.075 -4.888 9.232 1.00 0.15 H new ATOM 0 HB3 LYS A 99 1.469 -5.949 9.221 1.00 0.15 H new ATOM 0 HG2 LYS A 99 1.838 -5.372 11.686 1.00 0.17 H new ATOM 0 HG3 LYS A 99 0.325 -4.488 11.654 1.00 0.17 H new ATOM 0 HD2 LYS A 99 -0.971 -6.457 11.267 1.00 0.73 H new ATOM 0 HD3 LYS A 99 0.403 -7.360 10.662 1.00 0.73 H new ATOM 0 HE2 LYS A 99 1.440 -7.264 12.974 1.00 1.32 H new ATOM 0 HE3 LYS A 99 0.003 -6.447 13.558 1.00 1.32 H new ATOM 0 HZ1 LYS A 99 -0.128 -8.833 13.944 1.00 2.03 H new ATOM 0 HZ2 LYS A 99 -1.335 -8.354 12.850 1.00 2.03 H new ATOM 0 HZ3 LYS A 99 0.056 -9.145 12.285 1.00 2.03 H new ATOM 1595 N LYS A 100 4.180 -4.808 9.569 1.00 0.12 N ATOM 1596 CA LYS A 100 5.516 -5.054 10.176 1.00 0.13 C ATOM 1597 C LYS A 100 6.405 -3.855 9.857 1.00 0.13 C ATOM 1598 O LYS A 100 7.045 -3.292 10.723 1.00 0.16 O ATOM 1599 CB LYS A 100 6.128 -6.326 9.585 1.00 0.15 C ATOM 1600 CG LYS A 100 6.627 -7.225 10.718 1.00 0.80 C ATOM 1601 CD LYS A 100 7.743 -8.132 10.196 1.00 1.33 C ATOM 1602 CE LYS A 100 8.839 -8.253 11.257 1.00 1.84 C ATOM 1603 NZ LYS A 100 8.390 -9.181 12.333 1.00 2.62 N ATOM 0 H LYS A 100 4.038 -5.230 8.652 1.00 0.12 H new ATOM 0 HA LYS A 100 5.425 -5.183 11.255 1.00 0.13 H new ATOM 0 HB2 LYS A 100 5.387 -6.855 8.986 1.00 0.15 H new ATOM 0 HB3 LYS A 100 6.952 -6.071 8.919 1.00 0.15 H new ATOM 0 HG2 LYS A 100 6.995 -6.617 11.544 1.00 0.80 H new ATOM 0 HG3 LYS A 100 5.806 -7.828 11.107 1.00 0.80 H new ATOM 0 HD2 LYS A 100 7.343 -9.117 9.956 1.00 1.33 H new ATOM 0 HD3 LYS A 100 8.157 -7.723 9.274 1.00 1.33 H new ATOM 0 HE2 LYS A 100 9.759 -8.623 10.804 1.00 1.84 H new ATOM 0 HE3 LYS A 100 9.062 -7.273 11.678 1.00 1.84 H new ATOM 0 HZ1 LYS A 100 9.135 -9.263 13.054 1.00 2.62 H new ATOM 0 HZ2 LYS A 100 7.523 -8.810 12.772 1.00 2.62 H new ATOM 0 HZ3 LYS A 100 8.198 -10.118 11.925 1.00 2.62 H new ATOM 1617 N ALA A 101 6.424 -3.443 8.618 1.00 0.12 N ATOM 1618 CA ALA A 101 7.241 -2.260 8.239 1.00 0.13 C ATOM 1619 C ALA A 101 6.715 -1.056 9.011 1.00 0.14 C ATOM 1620 O ALA A 101 7.323 -0.588 9.952 1.00 0.17 O ATOM 1621 CB ALA A 101 7.095 -1.994 6.738 1.00 0.13 C ATOM 0 H ALA A 101 5.908 -3.877 7.853 1.00 0.12 H new ATOM 0 HA ALA A 101 8.291 -2.438 8.471 1.00 0.13 H new ATOM 0 HB1 ALA A 101 7.695 -1.127 6.462 1.00 0.13 H new ATOM 0 HB2 ALA A 101 7.438 -2.865 6.179 1.00 0.13 H new ATOM 0 HB3 ALA A 101 6.048 -1.801 6.503 1.00 0.13 H new ATOM 1627 N THR A 102 5.575 -0.566 8.615 1.00 0.14 N ATOM 1628 CA THR A 102 4.967 0.598 9.313 1.00 0.17 C ATOM 1629 C THR A 102 5.163 0.445 10.823 1.00 0.18 C ATOM 1630 O THR A 102 5.672 1.330 11.483 1.00 0.22 O ATOM 1631 CB THR A 102 3.469 0.651 9.003 1.00 0.19 C ATOM 1632 OG1 THR A 102 2.797 -0.268 9.850 1.00 0.30 O ATOM 1633 CG2 THR A 102 3.212 0.283 7.539 1.00 0.16 C ATOM 0 H THR A 102 5.033 -0.926 7.829 1.00 0.14 H new ATOM 0 HA THR A 102 5.445 1.516 8.972 1.00 0.17 H new ATOM 0 HB THR A 102 3.099 1.662 9.175 1.00 0.19 H new ATOM 0 HG1 THR A 102 1.893 0.061 10.038 1.00 0.30 H new ATOM 0 HG21 THR A 102 2.142 0.326 7.336 1.00 0.16 H new ATOM 0 HG22 THR A 102 3.733 0.987 6.890 1.00 0.16 H new ATOM 0 HG23 THR A 102 3.578 -0.726 7.348 1.00 0.16 H new ATOM 1641 N ASN A 103 4.767 -0.670 11.379 1.00 0.22 N ATOM 1642 CA ASN A 103 4.939 -0.866 12.845 1.00 0.25 C ATOM 1643 C ASN A 103 6.345 -0.423 13.255 1.00 0.39 C ATOM 1644 O ASN A 103 6.520 0.344 14.181 1.00 1.33 O ATOM 1645 CB ASN A 103 4.747 -2.346 13.179 1.00 0.19 C ATOM 1646 CG ASN A 103 5.254 -2.626 14.596 1.00 0.42 C ATOM 1647 OD1 ASN A 103 6.418 -2.431 14.886 1.00 1.23 O ATOM 1648 ND2 ASN A 103 4.424 -3.079 15.496 1.00 1.14 N ATOM 0 H ASN A 103 4.334 -1.449 10.882 1.00 0.22 H new ATOM 0 HA ASN A 103 4.203 -0.272 13.386 1.00 0.25 H new ATOM 0 HB2 ASN A 103 3.693 -2.613 13.100 1.00 0.19 H new ATOM 0 HB3 ASN A 103 5.286 -2.964 12.461 1.00 0.19 H new ATOM 0 HD21 ASN A 103 4.752 -3.269 16.443 1.00 1.14 H new ATOM 0 HD22 ASN A 103 3.447 -3.243 15.252 1.00 1.14 H new ATOM 1655 N GLU A 104 7.350 -0.899 12.572 1.00 0.81 N ATOM 1656 CA GLU A 104 8.743 -0.505 12.922 1.00 0.77 C ATOM 1657 C GLU A 104 9.538 -0.251 11.639 1.00 1.89 C ATOM 1658 O GLU A 104 9.123 0.598 10.867 1.00 2.58 O ATOM 1659 CB GLU A 104 9.407 -1.631 13.718 1.00 1.66 C ATOM 1660 CG GLU A 104 10.243 -1.031 14.850 1.00 2.26 C ATOM 1661 CD GLU A 104 11.727 -1.281 14.575 1.00 3.17 C ATOM 1662 OE1 GLU A 104 12.155 -2.413 14.728 1.00 3.76 O ATOM 1663 OE2 GLU A 104 12.411 -0.336 14.217 1.00 3.70 O ATOM 1664 OXT GLU A 104 10.547 -0.910 11.450 1.00 2.60 O ATOM 0 H GLU A 104 7.266 -1.544 11.786 1.00 0.81 H new ATOM 0 HA GLU A 104 8.723 0.403 13.524 1.00 0.77 H new ATOM 0 HB2 GLU A 104 8.648 -2.299 14.126 1.00 1.66 H new ATOM 0 HB3 GLU A 104 10.039 -2.230 13.063 1.00 1.66 H new ATOM 0 HG2 GLU A 104 10.052 0.039 14.930 1.00 2.26 H new ATOM 0 HG3 GLU A 104 9.958 -1.477 15.803 1.00 2.26 H new TER 1671 GLU A 104 HETATM 1672 FE HEC A 105 0.647 1.968 -4.843 1.00 0.22 FE HETATM 1673 CHA HEC A 105 -1.041 4.787 -4.132 1.00 0.15 C HETATM 1674 CHB HEC A 105 0.283 0.912 -1.691 1.00 0.28 C HETATM 1675 CHC HEC A 105 1.445 -1.130 -5.860 1.00 0.33 C HETATM 1676 CHD HEC A 105 1.662 3.264 -7.755 1.00 0.24 C HETATM 1677 NA HEC A 105 -0.193 2.698 -3.244 1.00 0.19 N HETATM 1678 C1A HEC A 105 -0.849 3.892 -3.106 1.00 0.16 C HETATM 1679 C2A HEC A 105 -1.322 4.078 -1.756 1.00 0.18 C HETATM 1680 C3A HEC A 105 -0.960 2.980 -1.067 1.00 0.22 C HETATM 1681 C4A HEC A 105 -0.256 2.132 -1.999 1.00 0.22 C HETATM 1682 CMA HEC A 105 -1.263 2.685 0.392 1.00 0.28 C HETATM 1683 CAA HEC A 105 -2.068 5.279 -1.215 1.00 0.18 C HETATM 1684 CBA HEC A 105 -1.339 5.950 -0.062 1.00 0.17 C HETATM 1685 CGA HEC A 105 -1.855 7.375 0.129 1.00 0.17 C HETATM 1686 O1A HEC A 105 -1.382 8.044 1.034 1.00 0.18 O HETATM 1687 O2A HEC A 105 -2.708 7.802 -0.635 1.00 0.21 O HETATM 1688 NB HEC A 105 0.824 0.242 -3.955 1.00 0.27 N HETATM 1689 C1B HEC A 105 0.641 -0.031 -2.625 1.00 0.30 C HETATM 1690 C2B HEC A 105 0.858 -1.422 -2.334 1.00 0.37 C HETATM 1691 C3B HEC A 105 1.174 -2.023 -3.503 1.00 0.38 C HETATM 1692 C4B HEC A 105 1.156 -0.971 -4.515 1.00 0.32 C HETATM 1693 CMB HEC A 105 0.741 -2.090 -0.972 1.00 0.44 C HETATM 1694 CAB HEC A 105 1.420 -3.522 -3.674 1.00 0.48 C HETATM 1695 CBB HEC A 105 0.224 -4.416 -3.955 1.00 0.29 C HETATM 1696 NC HEC A 105 1.410 1.225 -6.468 1.00 0.26 N HETATM 1697 C1C HEC A 105 1.703 -0.087 -6.735 1.00 0.31 C HETATM 1698 C2C HEC A 105 2.298 -0.232 -8.047 1.00 0.34 C HETATM 1699 C3C HEC A 105 2.354 1.014 -8.582 1.00 0.32 C HETATM 1700 C4C HEC A 105 1.801 1.904 -7.593 1.00 0.27 C HETATM 1701 CMC HEC A 105 2.784 -1.520 -8.684 1.00 0.39 C HETATM 1702 CAC HEC A 105 2.877 1.408 -9.957 1.00 0.35 C HETATM 1703 CBC HEC A 105 2.622 0.493 -11.126 1.00 0.43 C HETATM 1704 ND HEC A 105 0.368 3.668 -5.754 1.00 0.18 N HETATM 1705 C1D HEC A 105 0.856 4.054 -6.974 1.00 0.20 C HETATM 1706 C2D HEC A 105 0.404 5.379 -7.331 1.00 0.19 C HETATM 1707 C3D HEC A 105 -0.382 5.798 -6.316 1.00 0.17 C HETATM 1708 C4D HEC A 105 -0.386 4.735 -5.338 1.00 0.16 C HETATM 1709 CMD HEC A 105 0.762 6.159 -8.585 1.00 0.23 C HETATM 1710 CAD HEC A 105 -1.165 7.099 -6.248 1.00 0.19 C HETATM 1711 CBD HEC A 105 -2.587 6.936 -6.765 1.00 0.41 C HETATM 1712 CGD HEC A 105 -3.119 8.270 -7.272 1.00 0.20 C HETATM 1713 O1D HEC A 105 -2.323 9.144 -7.573 1.00 1.07 O HETATM 1714 O2D HEC A 105 -4.326 8.411 -7.361 1.00 1.12 O HETATM 0 HMD3 HEC A 105 1.841 6.307 -8.626 1.00 0.23 H new HETATM 0 HMD2 HEC A 105 0.438 5.602 -9.465 1.00 0.23 H new HETATM 0 HMD1 HEC A 105 0.264 7.128 -8.565 1.00 0.23 H new HETATM 0 HMC3 HEC A 105 3.567 -1.959 -8.065 1.00 0.39 H new HETATM 0 HMC2 HEC A 105 1.953 -2.220 -8.769 1.00 0.39 H new HETATM 0 HMC1 HEC A 105 3.182 -1.308 -9.676 1.00 0.39 H new HETATM 0 HMB3 HEC A 105 1.447 -1.632 -0.280 1.00 0.44 H new HETATM 0 HMB2 HEC A 105 -0.273 -1.965 -0.591 1.00 0.44 H new HETATM 0 HMB1 HEC A 105 0.964 -3.153 -1.068 1.00 0.44 H new HETATM 0 HMA3 HEC A 105 -0.825 3.462 1.019 1.00 0.28 H new HETATM 0 HMA2 HEC A 105 -2.342 2.663 0.542 1.00 0.28 H new HETATM 0 HMA1 HEC A 105 -0.839 1.718 0.663 1.00 0.28 H new HETATM 0 HBD2 HEC A 105 -2.607 6.199 -7.568 1.00 0.41 H new HETATM 0 HBD1 HEC A 105 -3.230 6.559 -5.970 1.00 0.41 H new HETATM 0 HBC3 HEC A 105 3.073 -0.480 -10.931 1.00 0.43 H new HETATM 0 HBC2 HEC A 105 1.548 0.374 -11.267 1.00 0.43 H new HETATM 0 HBC1 HEC A 105 3.061 0.923 -12.027 1.00 0.43 H new HETATM 0 HBB3 HEC A 105 -0.489 -4.339 -3.134 1.00 0.29 H new HETATM 0 HBB2 HEC A 105 -0.255 -4.102 -4.882 1.00 0.29 H new HETATM 0 HBB1 HEC A 105 0.557 -5.449 -4.051 1.00 0.29 H new HETATM 0 HBA2 HEC A 105 -1.485 5.377 0.853 1.00 0.17 H new HETATM 0 HBA1 HEC A 105 -0.267 5.967 -0.260 1.00 0.17 H new HETATM 0 HAD2 HEC A 105 -1.192 7.452 -5.217 1.00 0.19 H new HETATM 0 HAD1 HEC A 105 -0.652 7.862 -6.833 1.00 0.19 H new HETATM 0 HAA2 HEC A 105 -2.215 6.002 -2.017 1.00 0.18 H new HETATM 0 HAA1 HEC A 105 -3.058 4.967 -0.882 1.00 0.18 H new HETATM 0 HHD HEC A 105 2.228 3.744 -8.554 1.00 0.24 H new HETATM 0 HHC HEC A 105 1.471 -2.145 -6.257 1.00 0.33 H new HETATM 0 HHB HEC A 105 0.438 0.673 -0.639 1.00 0.28 H new HETATM 0 HHA HEC A 105 -1.761 5.591 -3.978 1.00 0.15 H new HETATM 1747 O HOH A 200 7.098 2.506 -1.705 1.00 0.00 O HETATM 1750 O HOH A 201 -4.467 3.466 -1.695 1.00 0.00 O HETATM 1753 O HOH A 202 -5.380 -3.903 -11.238 1.00 0.00 O HETATM 1756 O HOH A 203 1.429 5.121 0.755 1.00 0.00 O HETATM 1759 O HOH A 204 -7.710 2.856 3.567 1.00 0.00 O HETATM 1762 O HOH A 205 -1.097 -0.855 6.396 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