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 1 AC1 24 LYS A 13 CYS A 14 CYS A 17 HIS A 18 SITE 2 AC1 24 THR A 28 LEU A 32 LEU A 35 LYS A 39 SITE 3 AC1 24 THR A 40 GLY A 41 PHE A 46 TYR A 48 SITE 4 AC1 24 THR A 49 ASN A 52 TRP A 59 TYR A 67 SITE 5 AC1 24 THR A 78 LYS A 79 MET A 80 ILE A 81 SITE 6 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 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 5 H1 GLY A 1 -0.954 -13.633 7.362 1.00 1.20 H ATOM 6 H2 GLY A 1 -1.525 -12.700 8.662 1.00 1.10 H ATOM 7 H3 GLY A 1 -2.109 -12.420 7.091 1.00 1.06 H ATOM 8 HA2 GLY A 1 -0.455 -11.046 6.606 1.00 0.86 H ATOM 9 HA3 GLY A 1 -0.034 -11.114 8.317 1.00 0.98 H 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 18 H ASP A 2 0.381 -13.054 5.332 1.00 0.26 H ATOM 19 HA ASP A 2 2.795 -14.320 6.394 1.00 0.25 H ATOM 20 HB2 ASP A 2 1.693 -14.300 3.563 1.00 0.26 H ATOM 21 HB3 ASP A 2 2.947 -15.377 4.178 1.00 0.29 H 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 29 H VAL A 3 3.862 -12.119 6.803 1.00 0.27 H ATOM 30 HA VAL A 3 4.579 -10.216 4.936 1.00 0.20 H ATOM 31 HB VAL A 3 6.633 -9.882 6.193 1.00 0.64 H ATOM 32 HG11 VAL A 3 4.499 -9.273 7.296 1.00 1.40 H ATOM 33 HG12 VAL A 3 4.443 -10.873 8.035 1.00 1.39 H ATOM 34 HG13 VAL A 3 5.730 -9.749 8.464 1.00 1.26 H ATOM 35 HG21 VAL A 3 6.084 -12.655 7.277 1.00 1.31 H ATOM 36 HG22 VAL A 3 7.446 -12.172 6.267 1.00 1.27 H ATOM 37 HG23 VAL A 3 7.313 -11.565 7.918 1.00 1.42 H 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 47 H GLU A 4 5.629 -13.560 5.083 1.00 0.22 H ATOM 48 HA GLU A 4 7.928 -13.623 3.543 1.00 0.25 H ATOM 49 HB2 GLU A 4 6.937 -15.689 4.330 1.00 0.29 H ATOM 50 HB3 GLU A 4 5.499 -15.423 3.343 1.00 0.26 H ATOM 51 HG2 GLU A 4 6.514 -16.141 1.434 1.00 0.91 H ATOM 52 HG3 GLU A 4 8.058 -15.371 1.856 1.00 0.96 H 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 62 H LYS A 5 4.623 -13.693 2.201 1.00 0.22 H ATOM 63 HA LYS A 5 5.666 -12.926 -0.444 1.00 0.19 H ATOM 64 HB2 LYS A 5 3.727 -14.557 -0.006 1.00 0.22 H ATOM 65 HB3 LYS A 5 2.766 -13.120 0.353 1.00 0.22 H ATOM 66 HG2 LYS A 5 2.601 -12.564 -1.832 1.00 0.89 H ATOM 67 HG3 LYS A 5 4.339 -12.822 -2.095 1.00 0.87 H ATOM 68 HD2 LYS A 5 2.361 -15.098 -1.825 1.00 0.75 H ATOM 69 HD3 LYS A 5 2.794 -14.387 -3.380 1.00 0.71 H ATOM 70 HE2 LYS A 5 5.261 -14.779 -2.500 1.00 0.83 H ATOM 71 HE3 LYS A 5 4.475 -15.993 -1.491 1.00 0.90 H ATOM 72 HZ1 LYS A 5 3.354 -16.533 -3.824 1.00 1.35 H ATOM 73 HZ2 LYS A 5 4.841 -15.929 -4.377 1.00 1.26 H ATOM 74 HZ3 LYS A 5 4.805 -17.253 -3.315 1.00 1.29 H 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 79 H GLY A 6 4.082 -11.471 2.315 1.00 0.19 H ATOM 80 HA2 GLY A 6 2.979 -9.152 1.250 1.00 0.18 H ATOM 81 HA3 GLY A 6 3.820 -9.183 2.803 1.00 0.18 H 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 91 H LYS A 7 6.292 -9.184 2.588 1.00 0.18 H ATOM 92 HA LYS A 7 7.147 -6.867 1.184 1.00 0.14 H ATOM 93 HB2 LYS A 7 9.393 -7.504 1.812 1.00 0.17 H ATOM 94 HB3 LYS A 7 8.322 -7.942 3.145 1.00 0.19 H ATOM 95 HG2 LYS A 7 8.168 -10.250 1.924 1.00 0.87 H ATOM 96 HG3 LYS A 7 9.652 -9.730 1.125 1.00 0.91 H ATOM 97 HD2 LYS A 7 10.156 -9.104 3.763 1.00 1.35 H ATOM 98 HD3 LYS A 7 9.224 -10.595 3.904 1.00 1.39 H ATOM 99 HE2 LYS A 7 10.814 -11.856 2.786 1.00 1.92 H ATOM 100 HE3 LYS A 7 11.403 -10.478 1.856 1.00 1.93 H ATOM 101 HZ1 LYS A 7 12.389 -9.590 3.883 1.00 2.36 H ATOM 102 HZ2 LYS A 7 11.849 -10.944 4.754 1.00 2.49 H ATOM 103 HZ3 LYS A 7 13.005 -11.131 3.524 1.00 2.33 H 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 113 H LYS A 8 6.681 -10.120 0.103 1.00 0.16 H ATOM 114 HA LYS A 8 8.476 -9.852 -2.194 1.00 0.17 H ATOM 115 HB2 LYS A 8 7.222 -11.998 -0.873 1.00 0.18 H ATOM 116 HB3 LYS A 8 6.512 -11.962 -2.484 1.00 0.22 H ATOM 117 HG2 LYS A 8 8.520 -13.359 -2.491 1.00 0.76 H ATOM 118 HG3 LYS A 8 8.785 -11.916 -3.469 1.00 0.78 H ATOM 119 HD2 LYS A 8 10.743 -12.138 -2.122 1.00 1.51 H ATOM 120 HD3 LYS A 8 9.797 -10.858 -1.364 1.00 1.49 H ATOM 121 HE2 LYS A 8 9.735 -12.040 0.548 1.00 1.47 H ATOM 122 HE3 LYS A 8 8.909 -13.352 -0.293 1.00 1.66 H ATOM 123 HZ1 LYS A 8 11.817 -13.044 -0.587 1.00 1.97 H ATOM 124 HZ2 LYS A 8 11.196 -13.769 0.817 1.00 1.85 H ATOM 125 HZ3 LYS A 8 10.866 -14.446 -0.705 1.00 1.97 H 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 134 H ILE A 9 5.081 -10.872 -2.459 1.00 0.17 H ATOM 135 HA ILE A 9 4.491 -9.882 -4.944 1.00 0.17 H ATOM 136 HB ILE A 9 2.844 -10.048 -2.435 1.00 0.16 H ATOM 137 HG12 ILE A 9 3.519 -12.069 -3.790 1.00 0.85 H ATOM 138 HG13 ILE A 9 1.776 -11.862 -3.615 1.00 0.93 H ATOM 139 HG21 ILE A 9 1.983 -8.938 -5.120 1.00 1.02 H ATOM 140 HG22 ILE A 9 0.841 -9.565 -3.931 1.00 1.03 H ATOM 141 HG23 ILE A 9 1.838 -8.163 -3.542 1.00 1.00 H ATOM 142 HD11 ILE A 9 2.867 -10.441 -5.936 1.00 1.28 H ATOM 143 HD12 ILE A 9 3.121 -12.184 -6.016 1.00 1.29 H ATOM 144 HD13 ILE A 9 1.490 -11.539 -5.838 1.00 1.29 H 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 156 H PHE A 10 4.853 -8.032 -1.968 1.00 0.15 H ATOM 157 HA PHE A 10 3.899 -5.521 -3.041 1.00 0.16 H ATOM 158 HB2 PHE A 10 4.058 -5.529 -0.658 1.00 0.17 H ATOM 159 HB3 PHE A 10 5.649 -6.280 -0.693 1.00 0.16 H ATOM 160 HD1 PHE A 10 3.826 -3.138 -1.517 1.00 0.12 H ATOM 161 HD2 PHE A 10 7.609 -5.010 -0.766 1.00 0.14 H ATOM 162 HE1 PHE A 10 4.940 -0.908 -1.553 1.00 0.11 H ATOM 163 HE2 PHE A 10 8.708 -2.787 -0.785 1.00 0.13 H ATOM 164 HZ PHE A 10 7.375 -0.741 -1.179 1.00 0.11 H 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 172 H VAL A 11 7.191 -6.649 -2.292 1.00 0.14 H ATOM 173 HA VAL A 11 8.432 -4.622 -3.914 1.00 0.14 H ATOM 174 HB VAL A 11 9.425 -5.866 -1.908 1.00 0.14 H ATOM 175 HG11 VAL A 11 8.858 -8.117 -3.235 1.00 1.01 H ATOM 176 HG12 VAL A 11 10.474 -7.845 -3.887 1.00 1.04 H ATOM 177 HG13 VAL A 11 10.242 -8.015 -2.147 1.00 1.01 H ATOM 178 HG21 VAL A 11 10.685 -4.331 -3.392 1.00 1.02 H ATOM 179 HG22 VAL A 11 11.694 -5.664 -2.830 1.00 0.99 H ATOM 180 HG23 VAL A 11 11.039 -5.683 -4.468 1.00 1.06 H 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 190 H GLN A 12 6.638 -7.120 -4.952 1.00 0.16 H ATOM 191 HA GLN A 12 8.427 -8.015 -7.113 1.00 0.18 H ATOM 192 HB2 GLN A 12 5.515 -8.647 -6.512 1.00 0.18 H ATOM 193 HB3 GLN A 12 6.491 -9.430 -7.756 1.00 0.20 H ATOM 194 HG2 GLN A 12 7.810 -9.427 -5.147 1.00 0.60 H ATOM 195 HG3 GLN A 12 6.257 -10.258 -5.106 1.00 0.65 H ATOM 196 HE21 GLN A 12 9.419 -10.967 -5.495 1.00 1.97 H ATOM 197 HE22 GLN A 12 9.319 -12.249 -6.604 1.00 1.16 H 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 207 H LYS A 13 5.134 -6.645 -6.957 1.00 0.17 H ATOM 208 HA LYS A 13 5.651 -5.274 -9.549 1.00 0.20 H ATOM 209 HB2 LYS A 13 2.989 -4.930 -8.451 1.00 0.45 H ATOM 210 HB3 LYS A 13 3.476 -5.585 -10.012 1.00 0.39 H ATOM 211 HG2 LYS A 13 4.166 -7.681 -8.537 1.00 1.10 H ATOM 212 HG3 LYS A 13 2.970 -7.010 -7.429 1.00 1.09 H ATOM 213 HD2 LYS A 13 1.323 -6.965 -9.312 1.00 1.91 H ATOM 214 HD3 LYS A 13 2.519 -7.764 -10.333 1.00 1.86 H ATOM 215 HE2 LYS A 13 2.556 -9.414 -8.179 1.00 2.03 H ATOM 216 HE3 LYS A 13 0.881 -8.865 -8.117 1.00 2.19 H ATOM 217 HZ1 LYS A 13 1.997 -9.695 -10.698 1.00 2.71 H ATOM 218 HZ2 LYS A 13 1.565 -10.897 -9.579 1.00 2.65 H ATOM 219 HZ3 LYS A 13 0.399 -9.792 -10.129 1.00 2.63 H 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 226 H CYS A 14 4.695 -4.720 -6.202 1.00 0.16 H ATOM 227 HA CYS A 14 4.388 -1.841 -6.565 1.00 0.19 H ATOM 228 HB2 CYS A 14 4.781 -3.198 -3.905 1.00 0.15 H ATOM 229 HB3 CYS A 14 3.808 -1.774 -4.294 1.00 0.15 H 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 235 H ALA A 15 7.065 -3.887 -6.285 1.00 0.28 H ATOM 236 HA ALA A 15 8.768 -2.183 -4.714 1.00 0.14 H ATOM 237 HB1 ALA A 15 9.146 -4.392 -6.700 1.00 1.04 H ATOM 238 HB2 ALA A 15 10.537 -3.364 -6.359 1.00 1.01 H ATOM 239 HB3 ALA A 15 9.761 -4.256 -5.060 1.00 0.99 H 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 249 H GLN A 16 7.767 -2.259 -8.042 1.00 0.20 H ATOM 250 HA GLN A 16 9.691 -0.509 -9.179 1.00 0.18 H ATOM 251 HB2 GLN A 16 6.778 -0.716 -9.995 1.00 0.35 H ATOM 252 HB3 GLN A 16 8.184 -0.397 -11.036 1.00 0.46 H ATOM 253 HG2 GLN A 16 9.038 -2.715 -10.155 1.00 0.59 H ATOM 254 HG3 GLN A 16 7.338 -2.979 -9.713 1.00 0.50 H ATOM 255 HE21 GLN A 16 6.869 -4.542 -11.370 1.00 1.97 H ATOM 256 HE22 GLN A 16 6.888 -4.162 -13.024 1.00 1.21 H 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 263 H CYS A 17 6.304 0.364 -8.488 1.00 0.16 H ATOM 264 HA CYS A 17 7.015 3.196 -8.380 1.00 0.21 H ATOM 265 HB2 CYS A 17 4.359 2.120 -7.461 1.00 0.23 H ATOM 266 HB3 CYS A 17 4.712 3.606 -8.366 1.00 0.27 H 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 277 H HIS A 18 6.963 0.652 -6.112 1.00 0.22 H ATOM 278 HA HIS A 18 6.924 2.652 -3.884 1.00 0.11 H ATOM 279 HB2 HIS A 18 5.815 -0.155 -3.908 1.00 0.19 H ATOM 280 HB3 HIS A 18 6.069 0.760 -2.444 1.00 0.18 H ATOM 281 HD1 HIS A 18 4.954 3.384 -2.747 1.00 0.17 H ATOM 282 HD2 HIS A 18 3.285 0.185 -4.814 1.00 0.27 H ATOM 283 HE1 HIS A 18 2.608 4.097 -3.379 1.00 0.16 H 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 291 H THR A 19 9.400 2.207 -4.925 1.00 0.21 H ATOM 292 HA THR A 19 10.765 -0.055 -3.789 1.00 0.18 H ATOM 293 HB THR A 19 12.816 1.345 -3.983 1.00 0.24 H ATOM 294 HG1 THR A 19 12.631 3.422 -4.163 1.00 0.86 H ATOM 295 HG21 THR A 19 11.786 0.087 -5.930 1.00 1.02 H ATOM 296 HG22 THR A 19 11.073 1.617 -6.441 1.00 1.07 H ATOM 297 HG23 THR A 19 12.826 1.437 -6.383 1.00 1.09 H 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 305 H VAL A 20 10.792 -0.498 -1.732 1.00 0.16 H ATOM 306 HA VAL A 20 10.219 1.533 0.271 1.00 0.13 H ATOM 307 HB VAL A 20 10.482 -1.404 0.149 1.00 0.14 H ATOM 308 HG11 VAL A 20 11.210 0.212 2.567 1.00 1.05 H ATOM 309 HG12 VAL A 20 10.424 -1.357 2.750 1.00 0.99 H ATOM 310 HG13 VAL A 20 11.981 -1.241 1.929 1.00 1.04 H ATOM 311 HG21 VAL A 20 8.487 0.561 0.569 1.00 1.00 H ATOM 312 HG22 VAL A 20 8.282 -1.187 0.571 1.00 1.02 H ATOM 313 HG23 VAL A 20 8.622 -0.344 2.077 1.00 1.00 H 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 323 H GLU A 21 11.915 2.937 0.255 1.00 0.41 H ATOM 324 HA GLU A 21 14.364 2.034 1.626 1.00 0.22 H ATOM 325 HB2 GLU A 21 14.288 2.546 -1.199 1.00 1.04 H ATOM 326 HB3 GLU A 21 15.237 3.814 -0.423 1.00 1.02 H ATOM 327 HG2 GLU A 21 16.650 2.159 0.665 1.00 2.03 H ATOM 328 HG3 GLU A 21 15.644 0.847 0.050 1.00 2.09 H 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 338 H LYS A 22 15.743 4.542 1.218 1.00 0.50 H ATOM 339 HA LYS A 22 14.587 6.133 3.253 1.00 0.65 H ATOM 340 HB2 LYS A 22 16.913 6.226 1.721 1.00 0.92 H ATOM 341 HB3 LYS A 22 16.068 7.714 1.290 1.00 0.98 H ATOM 342 HG2 LYS A 22 15.776 8.187 3.738 1.00 1.54 H ATOM 343 HG3 LYS A 22 16.782 6.780 4.084 1.00 1.63 H ATOM 344 HD2 LYS A 22 18.687 7.765 3.031 1.00 2.17 H ATOM 345 HD3 LYS A 22 17.711 9.036 2.294 1.00 2.13 H ATOM 346 HE2 LYS A 22 17.987 10.334 4.112 1.00 2.78 H ATOM 347 HE3 LYS A 22 17.299 9.076 5.138 1.00 2.62 H ATOM 348 HZ1 LYS A 22 19.762 8.121 4.596 1.00 3.21 H ATOM 349 HZ2 LYS A 22 20.053 9.790 4.705 1.00 3.44 H ATOM 350 HZ3 LYS A 22 19.336 8.966 6.005 1.00 3.33 H 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 355 H GLY A 23 12.677 7.205 3.180 1.00 1.00 H ATOM 356 HA2 GLY A 23 10.946 7.534 1.064 1.00 0.71 H ATOM 357 HA3 GLY A 23 11.038 8.710 2.375 1.00 0.76 H 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 362 H GLY A 24 12.424 10.577 2.081 1.00 1.22 H ATOM 363 HA2 GLY A 24 13.347 12.317 0.804 1.00 0.85 H ATOM 364 HA3 GLY A 24 13.992 11.058 -0.250 1.00 0.85 H 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 374 H LYS A 25 13.401 12.869 -1.873 1.00 0.56 H ATOM 375 HA LYS A 25 10.829 13.692 -2.528 1.00 0.52 H ATOM 376 HB2 LYS A 25 13.315 13.210 -4.035 1.00 1.04 H ATOM 377 HB3 LYS A 25 11.856 13.079 -5.018 1.00 1.11 H ATOM 378 HG2 LYS A 25 11.111 15.293 -4.124 1.00 1.80 H ATOM 379 HG3 LYS A 25 12.654 15.432 -3.281 1.00 1.94 H ATOM 380 HD2 LYS A 25 13.581 14.873 -5.740 1.00 2.08 H ATOM 381 HD3 LYS A 25 12.057 15.635 -6.195 1.00 2.04 H ATOM 382 HE2 LYS A 25 12.869 17.678 -5.701 1.00 2.78 H ATOM 383 HE3 LYS A 25 13.342 17.146 -4.087 1.00 2.80 H ATOM 384 HZ1 LYS A 25 15.345 16.161 -5.079 1.00 3.41 H ATOM 385 HZ2 LYS A 25 14.902 16.799 -6.590 1.00 3.47 H ATOM 386 HZ3 LYS A 25 15.273 17.843 -5.303 1.00 3.37 H 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 397 H HIS A 26 9.233 12.172 -2.102 1.00 0.37 H ATOM 398 HA HIS A 26 9.262 9.435 -2.735 1.00 0.24 H ATOM 399 HB2 HIS A 26 7.137 11.471 -2.257 1.00 0.32 H ATOM 400 HB3 HIS A 26 6.645 9.924 -2.948 1.00 0.28 H ATOM 401 HD1 HIS A 26 8.462 7.974 -1.556 1.00 0.19 H ATOM 402 HD2 HIS A 26 6.677 11.154 0.451 1.00 0.42 H ATOM 403 HE1 HIS A 26 8.380 7.317 0.883 1.00 0.23 H 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 413 H LYS A 27 7.642 8.452 -4.401 1.00 0.27 H ATOM 414 HA LYS A 27 7.771 9.938 -6.987 1.00 0.34 H ATOM 415 HB2 LYS A 27 8.398 6.985 -6.734 1.00 0.85 H ATOM 416 HB3 LYS A 27 8.598 8.011 -8.155 1.00 0.85 H ATOM 417 HG2 LYS A 27 10.093 9.365 -6.304 1.00 1.77 H ATOM 418 HG3 LYS A 27 10.353 7.694 -5.804 1.00 1.81 H ATOM 419 HD2 LYS A 27 10.497 7.775 -8.652 1.00 1.92 H ATOM 420 HD3 LYS A 27 11.508 9.079 -8.030 1.00 2.16 H ATOM 421 HE2 LYS A 27 12.394 7.278 -6.365 1.00 2.29 H ATOM 422 HE3 LYS A 27 11.715 6.119 -7.508 1.00 2.41 H ATOM 423 HZ1 LYS A 27 13.039 7.837 -9.113 1.00 3.16 H ATOM 424 HZ2 LYS A 27 14.049 7.785 -7.748 1.00 3.03 H ATOM 425 HZ3 LYS A 27 13.650 6.350 -8.564 1.00 3.00 H 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 433 H THR A 28 6.689 7.591 -8.407 1.00 0.19 H ATOM 434 HA THR A 28 3.928 8.074 -8.177 1.00 0.21 H ATOM 435 HB THR A 28 4.529 6.894 -10.111 1.00 0.56 H ATOM 436 HG1 THR A 28 3.447 4.933 -9.942 1.00 0.97 H ATOM 437 HG21 THR A 28 6.149 5.187 -8.230 1.00 1.25 H ATOM 438 HG22 THR A 28 5.773 4.637 -9.863 1.00 1.21 H ATOM 439 HG23 THR A 28 6.700 6.118 -9.622 1.00 1.13 H 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 444 H GLY A 29 5.999 5.971 -6.291 1.00 0.18 H ATOM 445 HA2 GLY A 29 3.715 5.482 -4.460 1.00 0.88 H ATOM 446 HA3 GLY A 29 4.607 4.089 -5.057 1.00 0.88 H 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 454 HA PRO A 30 7.178 6.693 -1.850 1.00 0.12 H ATOM 455 HB2 PRO A 30 5.549 6.905 0.420 1.00 0.13 H ATOM 456 HB3 PRO A 30 5.850 8.218 -0.745 1.00 0.17 H ATOM 457 HG2 PRO A 30 3.436 6.569 -0.361 1.00 0.17 H ATOM 458 HG3 PRO A 30 3.595 8.138 -1.159 1.00 0.20 H ATOM 459 HD2 PRO A 30 3.282 5.623 -2.433 1.00 0.19 H ATOM 460 HD3 PRO A 30 3.723 7.149 -3.221 1.00 0.22 H 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 469 H ASN A 31 8.413 5.511 -0.331 1.00 0.14 H ATOM 470 HA ASN A 31 8.065 2.739 -0.072 1.00 0.13 H ATOM 471 HB2 ASN A 31 9.605 2.818 1.767 1.00 0.36 H ATOM 472 HB3 ASN A 31 10.124 3.938 0.508 1.00 0.39 H ATOM 473 HD21 ASN A 31 10.997 4.336 3.189 1.00 1.78 H ATOM 474 HD22 ASN A 31 10.259 5.735 3.805 1.00 1.39 H 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 483 H LEU A 32 6.006 2.111 0.406 1.00 0.11 H ATOM 484 HA LEU A 32 4.492 3.323 2.556 1.00 0.11 H ATOM 485 HB2 LEU A 32 3.010 1.191 2.146 1.00 0.12 H ATOM 486 HB3 LEU A 32 3.034 2.511 0.984 1.00 0.14 H ATOM 487 HG LEU A 32 5.143 0.544 0.453 1.00 0.11 H ATOM 488 HD11 LEU A 32 2.559 -0.458 1.237 1.00 1.01 H ATOM 489 HD12 LEU A 32 2.803 -0.749 -0.484 1.00 1.03 H ATOM 490 HD13 LEU A 32 3.972 -1.359 0.687 1.00 1.01 H ATOM 491 HD21 LEU A 32 2.918 1.997 -0.962 1.00 1.01 H ATOM 492 HD22 LEU A 32 4.649 2.018 -1.293 1.00 1.05 H ATOM 493 HD23 LEU A 32 3.679 0.621 -1.760 1.00 1.05 H 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 504 H HIS A 33 7.026 2.214 3.494 1.00 0.12 H ATOM 505 HA HIS A 33 6.166 -0.126 5.071 1.00 0.13 H ATOM 506 HB2 HIS A 33 8.433 -0.389 5.673 1.00 0.68 H ATOM 507 HB3 HIS A 33 8.548 0.245 4.034 1.00 0.66 H ATOM 508 HD1 HIS A 33 8.552 3.101 4.098 1.00 2.26 H ATOM 509 HD2 HIS A 33 10.082 1.013 7.366 1.00 2.44 H ATOM 510 HE1 HIS A 33 10.032 4.725 5.358 1.00 2.78 H 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 515 H GLY A 34 5.324 2.886 5.173 1.00 0.15 H ATOM 516 HA2 GLY A 34 5.215 3.048 8.120 1.00 0.88 H ATOM 517 HA3 GLY A 34 5.843 4.438 7.235 1.00 0.87 H 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 526 H LEU A 35 3.324 2.277 6.066 1.00 0.14 H ATOM 527 HA LEU A 35 1.545 4.383 5.301 1.00 0.15 H ATOM 528 HB2 LEU A 35 1.662 1.548 5.104 1.00 0.29 H ATOM 529 HB3 LEU A 35 0.092 1.961 5.789 1.00 0.28 H ATOM 530 HG LEU A 35 -0.130 3.684 3.938 1.00 1.41 H ATOM 531 HD11 LEU A 35 2.517 2.547 3.339 1.00 1.76 H ATOM 532 HD12 LEU A 35 1.442 2.647 1.945 1.00 1.67 H ATOM 533 HD13 LEU A 35 1.827 4.099 2.867 1.00 1.70 H ATOM 534 HD21 LEU A 35 -0.511 0.855 3.914 1.00 2.08 H ATOM 535 HD22 LEU A 35 -1.419 2.081 3.029 1.00 2.05 H ATOM 536 HD23 LEU A 35 0.008 1.344 2.300 1.00 2.02 H 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 548 H PHE A 36 1.613 2.272 8.175 1.00 0.13 H ATOM 549 HA PHE A 36 -0.824 3.166 9.334 1.00 0.17 H ATOM 550 HB2 PHE A 36 1.753 2.162 10.562 1.00 0.18 H ATOM 551 HB3 PHE A 36 0.362 2.605 11.548 1.00 0.17 H ATOM 552 HD1 PHE A 36 1.113 0.574 8.468 1.00 2.13 H ATOM 553 HD2 PHE A 36 -1.129 0.914 12.110 1.00 2.18 H ATOM 554 HE1 PHE A 36 0.126 -1.654 8.062 1.00 2.14 H ATOM 555 HE2 PHE A 36 -2.130 -1.318 11.696 1.00 2.18 H ATOM 556 HZ PHE A 36 -1.500 -2.600 9.663 1.00 0.28 H 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 561 H GLY A 37 2.170 4.732 8.814 1.00 0.12 H ATOM 562 HA2 GLY A 37 1.449 6.910 10.707 1.00 0.79 H ATOM 563 HA3 GLY A 37 3.077 6.608 10.104 1.00 0.77 H 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 575 H ARG A 38 1.561 6.081 7.382 1.00 0.14 H ATOM 576 HA ARG A 38 1.840 8.881 6.466 1.00 0.16 H ATOM 577 HB2 ARG A 38 1.905 6.209 5.225 1.00 0.24 H ATOM 578 HB3 ARG A 38 1.067 7.429 4.265 1.00 0.26 H ATOM 579 HG2 ARG A 38 3.208 8.881 4.982 1.00 0.58 H ATOM 580 HG3 ARG A 38 3.940 7.277 5.047 1.00 0.57 H ATOM 581 HD2 ARG A 38 2.925 6.888 2.724 1.00 0.96 H ATOM 582 HD3 ARG A 38 2.608 8.622 2.687 1.00 0.96 H ATOM 583 HE ARG A 38 4.850 8.674 1.926 1.00 1.67 H ATOM 584 HH11 ARG A 38 5.366 5.735 2.565 1.00 2.40 H ATOM 585 HH12 ARG A 38 6.653 5.866 3.716 1.00 2.39 H ATOM 586 HH21 ARG A 38 6.125 9.239 4.321 1.00 2.40 H ATOM 587 HH22 ARG A 38 7.083 7.850 4.711 1.00 2.43 H 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 597 H LYS A 39 0.105 10.190 6.202 1.00 0.18 H ATOM 598 HA LYS A 39 -2.521 9.473 6.931 1.00 0.19 H ATOM 599 HB2 LYS A 39 -1.867 11.598 4.888 1.00 0.53 H ATOM 600 HB3 LYS A 39 -3.215 11.571 6.024 1.00 0.52 H ATOM 601 HG2 LYS A 39 -0.947 11.323 7.640 1.00 1.44 H ATOM 602 HG3 LYS A 39 -0.491 12.520 6.428 1.00 1.59 H ATOM 603 HD2 LYS A 39 -1.690 14.050 7.566 1.00 1.64 H ATOM 604 HD3 LYS A 39 -3.147 13.136 7.178 1.00 1.65 H ATOM 605 HE2 LYS A 39 -3.278 12.221 9.262 1.00 1.87 H ATOM 606 HE3 LYS A 39 -1.530 12.019 9.388 1.00 1.92 H ATOM 607 HZ1 LYS A 39 -2.379 14.767 9.362 1.00 2.21 H ATOM 608 HZ2 LYS A 39 -2.981 13.891 10.687 1.00 2.06 H ATOM 609 HZ3 LYS A 39 -1.307 13.971 10.412 1.00 2.12 H 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 617 H THR A 40 -4.447 9.436 5.388 1.00 0.22 H ATOM 618 HA THR A 40 -4.222 7.289 3.564 1.00 0.21 H ATOM 619 HB THR A 40 -6.308 8.865 2.568 1.00 0.25 H ATOM 620 HG1 THR A 40 -6.286 9.024 5.392 1.00 0.93 H ATOM 621 HG21 THR A 40 -6.322 6.809 4.798 1.00 1.01 H ATOM 622 HG22 THR A 40 -7.726 7.296 3.848 1.00 1.08 H ATOM 623 HG23 THR A 40 -6.383 6.457 3.071 1.00 1.02 H 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 628 H GLY A 41 -3.311 10.592 3.255 1.00 0.19 H ATOM 629 HA2 GLY A 41 -2.127 10.106 0.664 1.00 0.40 H ATOM 630 HA3 GLY A 41 -3.546 11.142 0.541 1.00 0.42 H 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 640 H GLN A 42 -0.508 10.852 2.426 1.00 0.18 H ATOM 641 HA GLN A 42 -0.256 13.813 2.186 1.00 0.25 H ATOM 642 HB2 GLN A 42 -1.122 13.242 4.454 1.00 0.94 H ATOM 643 HB3 GLN A 42 0.296 12.226 4.712 1.00 1.10 H ATOM 644 HG2 GLN A 42 1.762 14.072 4.725 1.00 1.79 H ATOM 645 HG3 GLN A 42 0.595 15.118 3.915 1.00 1.81 H ATOM 646 HE21 GLN A 42 -1.027 16.159 5.224 1.00 2.28 H ATOM 647 HE22 GLN A 42 -1.026 16.071 6.919 1.00 2.44 H 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 653 H ALA A 43 1.021 11.752 0.615 1.00 0.26 H ATOM 654 HA ALA A 43 3.605 11.097 1.604 1.00 0.45 H ATOM 655 HB1 ALA A 43 2.156 10.843 -0.868 1.00 1.06 H ATOM 656 HB2 ALA A 43 3.800 11.385 -1.193 1.00 1.11 H ATOM 657 HB3 ALA A 43 3.526 9.895 -0.291 1.00 1.09 H 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 665 HA PRO A 44 5.360 15.196 1.676 1.00 0.29 H ATOM 666 HB2 PRO A 44 7.975 13.936 1.502 1.00 0.57 H ATOM 667 HB3 PRO A 44 7.235 14.780 2.884 1.00 0.52 H ATOM 668 HG2 PRO A 44 7.608 11.939 2.558 1.00 0.61 H ATOM 669 HG3 PRO A 44 6.816 12.784 3.910 1.00 0.61 H ATOM 670 HD2 PRO A 44 5.562 11.161 1.899 1.00 0.29 H ATOM 671 HD3 PRO A 44 4.770 12.090 3.186 1.00 0.35 H 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 676 H GLY A 45 5.210 16.245 -0.275 1.00 1.19 H ATOM 677 HA2 GLY A 45 6.085 16.978 -2.373 1.00 0.31 H ATOM 678 HA3 GLY A 45 7.144 15.564 -2.396 1.00 0.38 H 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 690 H PHE A 46 5.421 13.489 -2.079 1.00 0.25 H ATOM 691 HA PHE A 46 3.913 13.530 -4.621 1.00 0.24 H ATOM 692 HB2 PHE A 46 5.177 11.554 -4.432 1.00 0.34 H ATOM 693 HB3 PHE A 46 4.855 11.400 -2.709 1.00 0.30 H ATOM 694 HD1 PHE A 46 2.411 12.018 -5.480 1.00 0.26 H ATOM 695 HD2 PHE A 46 3.881 9.291 -2.515 1.00 0.25 H ATOM 696 HE1 PHE A 46 0.499 10.494 -5.925 1.00 0.25 H ATOM 697 HE2 PHE A 46 1.975 7.772 -2.960 1.00 0.19 H ATOM 698 HZ PHE A 46 0.285 8.378 -4.663 1.00 0.20 H 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 706 H THR A 47 2.366 15.135 -3.478 1.00 0.22 H ATOM 707 HA THR A 47 0.682 14.031 -1.386 1.00 0.19 H ATOM 708 HB THR A 47 -0.758 16.044 -1.953 1.00 0.21 H ATOM 709 HG1 THR A 47 -0.169 17.315 -3.552 1.00 0.87 H ATOM 710 HG21 THR A 47 1.937 15.914 -0.860 1.00 1.04 H ATOM 711 HG22 THR A 47 1.557 17.522 -1.477 1.00 1.04 H ATOM 712 HG23 THR A 47 0.527 16.782 -0.252 1.00 1.07 H 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 725 H TYR A 48 -0.284 12.240 -2.021 1.00 0.16 H ATOM 726 HA TYR A 48 -1.207 11.127 -4.267 1.00 0.18 H ATOM 727 HB2 TYR A 48 -2.738 11.432 -1.683 1.00 0.14 H ATOM 728 HB3 TYR A 48 -3.201 10.308 -2.966 1.00 0.16 H ATOM 729 HD1 TYR A 48 -0.561 11.182 -0.524 1.00 0.14 H ATOM 730 HD2 TYR A 48 -1.970 8.349 -3.413 1.00 0.17 H ATOM 731 HE1 TYR A 48 1.161 9.545 0.243 1.00 0.18 H ATOM 732 HE2 TYR A 48 -0.275 6.714 -2.639 1.00 0.17 H ATOM 733 HH TYR A 48 1.892 7.488 0.076 1.00 0.17 H 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 741 H THR A 49 -3.215 11.044 -5.451 1.00 0.21 H ATOM 742 HA THR A 49 -4.183 13.562 -6.359 1.00 0.25 H ATOM 743 HB THR A 49 -5.221 10.729 -6.503 1.00 0.30 H ATOM 744 HG1 THR A 49 -3.463 11.526 -7.817 1.00 0.47 H ATOM 745 HG21 THR A 49 -6.678 13.253 -7.067 1.00 1.05 H ATOM 746 HG22 THR A 49 -6.769 12.017 -8.321 1.00 1.05 H ATOM 747 HG23 THR A 49 -7.307 11.651 -6.682 1.00 1.05 H 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 756 H ASP A 50 -6.121 14.680 -5.802 1.00 0.27 H ATOM 757 HA ASP A 50 -6.824 15.183 -3.245 1.00 0.26 H ATOM 758 HB2 ASP A 50 -8.681 14.931 -5.616 1.00 1.01 H ATOM 759 HB3 ASP A 50 -9.214 15.568 -4.059 1.00 1.04 H 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 765 H ALA A 51 -7.796 12.274 -4.977 1.00 0.30 H ATOM 766 HA ALA A 51 -9.817 11.308 -3.288 1.00 0.37 H ATOM 767 HB1 ALA A 51 -7.660 9.917 -4.868 1.00 1.05 H ATOM 768 HB2 ALA A 51 -8.816 8.997 -3.904 1.00 1.10 H ATOM 769 HB3 ALA A 51 -9.385 10.027 -5.218 1.00 1.10 H 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 778 H ASN A 52 -6.423 10.151 -3.029 1.00 0.26 H ATOM 779 HA ASN A 52 -6.885 9.289 -0.285 1.00 0.27 H ATOM 780 HB2 ASN A 52 -4.748 9.057 -2.263 1.00 0.54 H ATOM 781 HB3 ASN A 52 -4.120 9.360 -0.647 1.00 0.47 H ATOM 782 HD21 ASN A 52 -4.037 6.801 -2.209 1.00 1.32 H ATOM 783 HD22 ASN A 52 -4.830 5.653 -1.243 1.00 1.58 H 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 793 H LYS A 53 -5.422 12.084 -1.816 1.00 0.21 H ATOM 794 HA LYS A 53 -4.263 13.133 0.619 1.00 0.23 H ATOM 795 HB2 LYS A 53 -4.513 13.936 -2.193 1.00 0.34 H ATOM 796 HB3 LYS A 53 -4.556 15.292 -1.066 1.00 0.38 H ATOM 797 HG2 LYS A 53 -2.489 13.179 -0.641 1.00 0.84 H ATOM 798 HG3 LYS A 53 -2.261 14.297 -1.981 1.00 0.86 H ATOM 799 HD2 LYS A 53 -2.759 15.114 0.898 1.00 1.07 H ATOM 800 HD3 LYS A 53 -1.192 15.148 0.089 1.00 1.14 H ATOM 801 HE2 LYS A 53 -2.559 16.580 -1.700 1.00 1.67 H ATOM 802 HE3 LYS A 53 -3.570 16.921 -0.295 1.00 1.60 H ATOM 803 HZ1 LYS A 53 -1.051 17.198 0.662 1.00 2.00 H ATOM 804 HZ2 LYS A 53 -0.919 17.836 -0.907 1.00 1.81 H ATOM 805 HZ3 LYS A 53 -2.063 18.472 0.175 1.00 1.96 H 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 814 H ASN A 54 -7.448 12.701 -0.113 1.00 0.25 H ATOM 815 HA ASN A 54 -8.207 15.176 1.395 1.00 0.31 H ATOM 816 HB2 ASN A 54 -8.951 15.172 -1.013 1.00 0.79 H ATOM 817 HB3 ASN A 54 -9.929 13.750 -0.648 1.00 0.79 H ATOM 818 HD21 ASN A 54 -9.693 17.231 -0.223 1.00 2.15 H ATOM 819 HD22 ASN A 54 -11.190 17.428 0.553 1.00 2.27 H 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 829 H LYS A 55 -7.673 12.170 2.068 1.00 0.25 H ATOM 830 HA LYS A 55 -10.280 11.271 3.047 1.00 0.44 H ATOM 831 HB2 LYS A 55 -7.512 10.219 2.978 1.00 0.28 H ATOM 832 HB3 LYS A 55 -8.497 9.682 4.339 1.00 0.27 H ATOM 833 HG2 LYS A 55 -9.427 9.561 1.459 1.00 1.17 H ATOM 834 HG3 LYS A 55 -8.657 8.209 2.289 1.00 1.05 H ATOM 835 HD2 LYS A 55 -10.426 8.150 3.950 1.00 1.72 H ATOM 836 HD3 LYS A 55 -11.149 9.617 3.291 1.00 1.75 H ATOM 837 HE2 LYS A 55 -11.649 8.474 1.193 1.00 2.04 H ATOM 838 HE3 LYS A 55 -10.823 7.021 1.756 1.00 1.91 H ATOM 839 HZ1 LYS A 55 -12.472 7.175 3.706 1.00 2.31 H ATOM 840 HZ2 LYS A 55 -13.375 8.174 2.670 1.00 2.41 H ATOM 841 HZ3 LYS A 55 -13.024 6.575 2.216 1.00 2.41 H 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 846 H GLY A 56 -7.550 11.039 5.227 1.00 0.77 H ATOM 847 HA2 GLY A 56 -7.419 13.077 6.897 1.00 0.75 H ATOM 848 HA3 GLY A 56 -9.103 12.652 7.187 1.00 1.02 H 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 857 H ILE A 57 -7.723 9.746 6.571 1.00 0.32 H ATOM 858 HA ILE A 57 -7.146 9.292 9.461 1.00 0.27 H ATOM 859 HB ILE A 57 -7.675 6.875 8.877 1.00 0.30 H ATOM 860 HG12 ILE A 57 -9.229 7.568 6.522 1.00 1.05 H ATOM 861 HG13 ILE A 57 -7.519 7.908 6.260 1.00 1.10 H ATOM 862 HG21 ILE A 57 -9.354 8.990 9.489 1.00 1.22 H ATOM 863 HG22 ILE A 57 -10.136 8.263 8.085 1.00 1.22 H ATOM 864 HG23 ILE A 57 -9.808 7.286 9.516 1.00 1.12 H ATOM 865 HD11 ILE A 57 -7.124 5.549 7.287 1.00 1.23 H ATOM 866 HD12 ILE A 57 -8.834 5.283 6.949 1.00 1.39 H ATOM 867 HD13 ILE A 57 -7.721 5.646 5.630 1.00 1.32 H 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 875 H THR A 58 -5.897 6.863 9.208 1.00 0.31 H ATOM 876 HA THR A 58 -3.449 7.478 7.609 1.00 0.26 H ATOM 877 HB THR A 58 -3.402 5.945 10.212 1.00 0.57 H ATOM 878 HG1 THR A 58 -3.175 7.799 11.299 1.00 1.44 H ATOM 879 HG21 THR A 58 -1.415 7.344 8.435 1.00 1.59 H ATOM 880 HG22 THR A 58 -1.043 7.036 10.130 1.00 1.51 H ATOM 881 HG23 THR A 58 -1.379 5.689 9.043 1.00 1.53 H 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 896 H TRP A 59 -2.272 5.454 6.974 1.00 0.18 H ATOM 897 HA TRP A 59 -4.173 3.474 6.045 1.00 0.17 H ATOM 898 HB2 TRP A 59 -1.161 3.641 5.932 1.00 0.15 H ATOM 899 HB3 TRP A 59 -2.065 2.297 5.244 1.00 0.17 H ATOM 900 HD1 TRP A 59 -0.977 5.767 4.555 1.00 0.19 H ATOM 901 HE1 TRP A 59 -1.996 6.600 2.354 1.00 0.19 H ATOM 902 HE3 TRP A 59 -4.429 2.087 3.727 1.00 0.20 H ATOM 903 HZ2 TRP A 59 -4.020 5.831 0.477 1.00 0.20 H ATOM 904 HZ3 TRP A 59 -5.896 2.157 1.718 1.00 0.26 H ATOM 905 HH2 TRP A 59 -5.693 4.032 0.102 1.00 0.25 H 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 915 H LYS A 60 -5.047 2.722 8.076 1.00 0.17 H ATOM 916 HA LYS A 60 -3.184 1.085 9.711 1.00 0.18 H ATOM 917 HB2 LYS A 60 -4.428 1.746 11.476 1.00 0.38 H ATOM 918 HB3 LYS A 60 -5.352 2.783 10.377 1.00 0.39 H ATOM 919 HG2 LYS A 60 -6.828 0.791 9.889 1.00 0.78 H ATOM 920 HG3 LYS A 60 -5.985 -0.080 11.167 1.00 0.74 H ATOM 921 HD2 LYS A 60 -6.894 2.595 11.977 1.00 1.66 H ATOM 922 HD3 LYS A 60 -8.213 1.511 11.535 1.00 1.72 H ATOM 923 HE2 LYS A 60 -7.736 0.014 13.241 1.00 2.02 H ATOM 924 HE3 LYS A 60 -6.029 0.454 13.291 1.00 1.95 H ATOM 925 HZ1 LYS A 60 -8.125 2.384 14.064 1.00 2.51 H ATOM 926 HZ2 LYS A 60 -7.530 1.249 15.178 1.00 2.49 H ATOM 927 HZ3 LYS A 60 -6.477 2.381 14.475 1.00 2.46 H 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 937 H GLU A 61 -3.397 -1.112 9.794 1.00 0.16 H ATOM 938 HA GLU A 61 -4.016 -2.818 7.881 1.00 0.16 H ATOM 939 HB2 GLU A 61 -3.523 -3.288 10.389 1.00 0.18 H ATOM 940 HB3 GLU A 61 -5.289 -3.434 10.535 1.00 0.16 H ATOM 941 HG2 GLU A 61 -4.493 -4.894 8.216 1.00 0.88 H ATOM 942 HG3 GLU A 61 -3.421 -5.370 9.533 1.00 0.87 H 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 952 H GLU A 62 -6.626 -1.402 9.871 1.00 0.21 H ATOM 953 HA GLU A 62 -8.739 -2.788 8.465 1.00 0.22 H ATOM 954 HB2 GLU A 62 -8.943 -0.179 9.992 1.00 0.55 H ATOM 955 HB3 GLU A 62 -10.245 -1.321 9.656 1.00 0.58 H ATOM 956 HG2 GLU A 62 -8.333 -2.906 10.882 1.00 1.04 H ATOM 957 HG3 GLU A 62 -8.213 -1.384 11.767 1.00 1.14 H 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 965 H THR A 63 -7.896 0.702 8.423 1.00 0.25 H ATOM 966 HA THR A 63 -9.458 1.504 6.270 1.00 0.27 H ATOM 967 HB THR A 63 -8.051 3.378 6.049 1.00 0.33 H ATOM 968 HG1 THR A 63 -6.114 2.694 5.513 1.00 0.61 H ATOM 969 HG21 THR A 63 -8.711 2.503 8.557 1.00 1.07 H ATOM 970 HG22 THR A 63 -6.970 2.739 8.716 1.00 1.07 H ATOM 971 HG23 THR A 63 -8.000 4.078 8.208 1.00 1.11 H 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 980 H LEU A 64 -6.060 0.355 5.988 1.00 0.17 H ATOM 981 HA LEU A 64 -6.196 0.225 3.112 1.00 0.19 H ATOM 982 HB2 LEU A 64 -4.186 -1.398 3.473 1.00 0.21 H ATOM 983 HB3 LEU A 64 -3.993 0.294 3.932 1.00 0.20 H ATOM 984 HG LEU A 64 -5.164 -1.312 6.066 1.00 0.21 H ATOM 985 HD11 LEU A 64 -2.539 -2.094 4.811 1.00 1.05 H ATOM 986 HD12 LEU A 64 -2.812 -2.320 6.539 1.00 1.06 H ATOM 987 HD13 LEU A 64 -3.848 -3.137 5.368 1.00 1.02 H ATOM 988 HD21 LEU A 64 -2.873 0.607 5.677 1.00 1.08 H ATOM 989 HD22 LEU A 64 -4.359 0.842 6.597 1.00 1.02 H ATOM 990 HD23 LEU A 64 -3.104 -0.235 7.209 1.00 1.06 H 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 999 H MET A 65 -7.149 -1.949 5.685 1.00 0.21 H ATOM 1000 HA MET A 65 -7.249 -4.358 4.145 1.00 0.24 H ATOM 1001 HB2 MET A 65 -8.478 -3.361 6.636 1.00 0.24 H ATOM 1002 HB3 MET A 65 -9.497 -4.508 5.740 1.00 0.29 H ATOM 1003 HG2 MET A 65 -6.883 -5.561 5.639 1.00 0.88 H ATOM 1004 HG3 MET A 65 -7.125 -5.041 7.306 1.00 0.78 H ATOM 1005 HE1 MET A 65 -8.374 -5.917 8.911 1.00 1.89 H ATOM 1006 HE2 MET A 65 -9.144 -7.504 8.919 1.00 1.97 H ATOM 1007 HE3 MET A 65 -7.408 -7.367 8.635 1.00 1.95 H 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 1017 H GLU A 66 -9.123 -1.469 4.241 1.00 0.24 H ATOM 1018 HA GLU A 66 -11.352 -2.474 2.629 1.00 0.30 H ATOM 1019 HB2 GLU A 66 -10.664 -0.036 4.111 1.00 0.33 H ATOM 1020 HB3 GLU A 66 -11.427 0.299 2.556 1.00 0.33 H ATOM 1021 HG2 GLU A 66 -13.430 -0.617 3.186 1.00 1.09 H ATOM 1022 HG3 GLU A 66 -12.664 -1.870 4.163 1.00 1.09 H 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 1035 H TYR A 67 -8.289 -0.891 2.197 1.00 0.23 H ATOM 1036 HA TYR A 67 -8.903 -0.169 -0.593 1.00 0.24 H ATOM 1037 HB2 TYR A 67 -7.373 1.432 -0.170 1.00 0.28 H ATOM 1038 HB3 TYR A 67 -7.125 0.760 1.431 1.00 0.25 H ATOM 1039 HD1 TYR A 67 -6.204 -0.430 -2.014 1.00 2.09 H ATOM 1040 HD2 TYR A 67 -4.857 0.646 1.910 1.00 2.09 H ATOM 1041 HE1 TYR A 67 -3.876 -1.001 -2.656 1.00 2.11 H ATOM 1042 HE2 TYR A 67 -2.533 0.090 1.270 1.00 2.10 H ATOM 1043 HH TYR A 67 -1.192 -0.617 -0.341 1.00 0.55 H 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 1052 H LEU A 68 -6.182 -2.021 0.879 1.00 0.27 H ATOM 1053 HA LEU A 68 -5.421 -3.424 -1.386 1.00 0.28 H ATOM 1054 HB2 LEU A 68 -5.069 -3.583 1.430 1.00 0.28 H ATOM 1055 HB3 LEU A 68 -5.432 -5.199 0.848 1.00 0.38 H ATOM 1056 HG LEU A 68 -3.139 -5.138 0.647 1.00 1.29 H ATOM 1057 HD11 LEU A 68 -4.405 -5.409 -1.627 1.00 1.28 H ATOM 1058 HD12 LEU A 68 -3.661 -3.855 -2.006 1.00 1.38 H ATOM 1059 HD13 LEU A 68 -2.649 -5.249 -1.624 1.00 1.26 H ATOM 1060 HD21 LEU A 68 -3.572 -2.308 0.640 1.00 1.10 H ATOM 1061 HD22 LEU A 68 -2.114 -3.200 1.063 1.00 1.16 H ATOM 1062 HD23 LEU A 68 -2.409 -2.738 -0.614 1.00 1.12 H 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 1072 H GLU A 69 -8.128 -4.216 0.890 1.00 0.25 H ATOM 1073 HA GLU A 69 -8.729 -6.690 -0.550 1.00 0.33 H ATOM 1074 HB2 GLU A 69 -10.428 -7.048 0.992 1.00 1.19 H ATOM 1075 HB3 GLU A 69 -9.350 -6.014 1.920 1.00 1.14 H ATOM 1076 HG2 GLU A 69 -11.363 -4.929 2.279 1.00 1.63 H ATOM 1077 HG3 GLU A 69 -10.812 -4.080 0.835 1.00 1.72 H 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 1086 H ASN A 70 -9.850 -3.383 -0.674 1.00 0.31 H ATOM 1087 HA ASN A 70 -11.311 -4.051 -3.193 1.00 0.22 H ATOM 1088 HB2 ASN A 70 -12.426 -3.015 -0.757 1.00 0.89 H ATOM 1089 HB3 ASN A 70 -12.479 -1.743 -1.976 1.00 0.76 H ATOM 1090 HD21 ASN A 70 -14.954 -2.581 -1.372 1.00 2.03 H ATOM 1091 HD22 ASN A 70 -15.575 -3.665 -2.522 1.00 2.28 H 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 1099 HA PRO A 71 -7.892 -0.873 -3.354 1.00 0.21 H ATOM 1100 HB2 PRO A 71 -6.915 -2.088 -5.737 1.00 0.25 H ATOM 1101 HB3 PRO A 71 -6.187 -2.151 -4.115 1.00 0.26 H ATOM 1102 HG2 PRO A 71 -7.591 -4.264 -5.551 1.00 0.27 H ATOM 1103 HG3 PRO A 71 -6.680 -4.364 -4.038 1.00 0.28 H ATOM 1104 HD2 PRO A 71 -9.515 -4.458 -4.335 1.00 0.24 H ATOM 1105 HD3 PRO A 71 -8.594 -4.375 -2.822 1.00 0.23 H 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 1115 H LYS A 72 -9.500 -2.285 -6.244 1.00 0.24 H ATOM 1116 HA LYS A 72 -9.430 0.220 -7.677 1.00 0.24 H ATOM 1117 HB2 LYS A 72 -9.676 -2.091 -8.710 1.00 1.06 H ATOM 1118 HB3 LYS A 72 -11.360 -2.074 -8.147 1.00 0.98 H ATOM 1119 HG2 LYS A 72 -11.791 -0.035 -9.439 1.00 2.14 H ATOM 1120 HG3 LYS A 72 -10.107 0.016 -9.958 1.00 2.13 H ATOM 1121 HD2 LYS A 72 -10.341 -1.987 -11.238 1.00 2.17 H ATOM 1122 HD3 LYS A 72 -11.894 -2.365 -10.493 1.00 2.18 H ATOM 1123 HE2 LYS A 72 -12.890 -0.370 -11.547 1.00 3.19 H ATOM 1124 HE3 LYS A 72 -11.336 0.021 -12.283 1.00 3.07 H ATOM 1125 HZ1 LYS A 72 -11.677 -2.532 -13.028 1.00 3.51 H ATOM 1126 HZ2 LYS A 72 -13.282 -1.978 -13.030 1.00 3.55 H ATOM 1127 HZ3 LYS A 72 -12.112 -1.193 -13.977 1.00 3.47 H 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 1137 H LYS A 73 -11.223 -0.716 -5.006 1.00 0.23 H ATOM 1138 HA LYS A 73 -13.446 1.147 -5.738 1.00 0.27 H ATOM 1139 HB2 LYS A 73 -13.672 -1.461 -4.918 1.00 0.51 H ATOM 1140 HB3 LYS A 73 -13.828 -0.595 -3.389 1.00 0.47 H ATOM 1141 HG2 LYS A 73 -15.715 0.610 -4.123 1.00 1.35 H ATOM 1142 HG3 LYS A 73 -15.375 0.282 -5.822 1.00 1.31 H ATOM 1143 HD2 LYS A 73 -15.705 -2.220 -5.151 1.00 1.99 H ATOM 1144 HD3 LYS A 73 -16.525 -1.561 -3.736 1.00 2.04 H ATOM 1145 HE2 LYS A 73 -17.446 -0.167 -6.073 1.00 2.22 H ATOM 1146 HE3 LYS A 73 -17.580 -1.903 -6.356 1.00 2.33 H ATOM 1147 HZ1 LYS A 73 -18.403 -1.292 -3.728 1.00 2.85 H ATOM 1148 HZ2 LYS A 73 -19.249 -0.308 -4.823 1.00 2.86 H ATOM 1149 HZ3 LYS A 73 -19.297 -1.997 -4.987 1.00 3.08 H 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 1162 H TYR A 74 -10.615 1.205 -4.156 1.00 0.21 H ATOM 1163 HA TYR A 74 -11.691 3.040 -2.052 1.00 0.26 H ATOM 1164 HB2 TYR A 74 -10.281 0.646 -1.616 1.00 0.29 H ATOM 1165 HB3 TYR A 74 -9.104 1.935 -1.357 1.00 0.30 H ATOM 1166 HD1 TYR A 74 -12.800 1.908 -0.800 1.00 2.17 H ATOM 1167 HD2 TYR A 74 -8.898 2.160 0.975 1.00 2.08 H ATOM 1168 HE1 TYR A 74 -13.834 2.415 1.398 1.00 2.28 H ATOM 1169 HE2 TYR A 74 -9.930 2.667 3.173 1.00 2.05 H ATOM 1170 HH TYR A 74 -12.738 3.792 3.668 1.00 1.01 H 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 1179 H ILE A 75 -8.773 2.180 -3.928 1.00 0.21 H ATOM 1180 HA ILE A 75 -8.369 4.961 -4.632 1.00 0.26 H ATOM 1181 HB ILE A 75 -6.481 3.649 -2.680 1.00 0.30 H ATOM 1182 HG12 ILE A 75 -6.787 6.152 -1.836 1.00 0.98 H ATOM 1183 HG13 ILE A 75 -8.311 5.986 -2.700 1.00 0.88 H ATOM 1184 HG21 ILE A 75 -5.865 5.327 -4.938 1.00 1.07 H ATOM 1185 HG22 ILE A 75 -5.560 6.219 -3.449 1.00 1.05 H ATOM 1186 HG23 ILE A 75 -4.762 4.671 -3.729 1.00 1.07 H ATOM 1187 HD11 ILE A 75 -8.043 3.579 -1.302 1.00 0.29 H ATOM 1188 HD12 ILE A 75 -7.481 4.805 -0.164 1.00 0.76 H ATOM 1189 HD13 ILE A 75 -9.097 4.925 -0.859 1.00 0.81 H 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 1197 HA PRO A 76 -4.823 2.126 -6.558 1.00 0.26 H ATOM 1198 HB2 PRO A 76 -6.114 -0.475 -6.067 1.00 0.27 H ATOM 1199 HB3 PRO A 76 -4.416 -0.042 -5.898 1.00 0.34 H ATOM 1200 HG2 PRO A 76 -6.238 -0.383 -3.769 1.00 0.24 H ATOM 1201 HG3 PRO A 76 -4.650 0.367 -3.650 1.00 0.29 H ATOM 1202 HD2 PRO A 76 -7.208 1.631 -3.386 1.00 0.22 H ATOM 1203 HD3 PRO A 76 -5.599 2.364 -3.290 1.00 0.26 H 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 1208 H GLY A 77 -5.997 3.246 -8.135 1.00 0.45 H ATOM 1209 HA2 GLY A 77 -7.242 1.667 -10.136 1.00 0.53 H ATOM 1210 HA3 GLY A 77 -8.491 2.528 -9.225 1.00 0.53 H 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 1218 H THR A 78 -6.910 4.806 -8.568 1.00 0.26 H ATOM 1219 HA THR A 78 -7.240 6.399 -10.940 1.00 0.31 H ATOM 1220 HB THR A 78 -7.307 7.928 -9.264 1.00 1.02 H ATOM 1221 HG1 THR A 78 -5.463 9.011 -9.165 1.00 1.82 H ATOM 1222 HG21 THR A 78 -5.474 6.125 -7.659 1.00 1.96 H ATOM 1223 HG22 THR A 78 -6.205 7.613 -7.058 1.00 1.98 H ATOM 1224 HG23 THR A 78 -7.226 6.248 -7.496 1.00 1.96 H 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 1234 H LYS A 79 -4.102 6.397 -9.217 1.00 0.23 H ATOM 1235 HA LYS A 79 -2.806 6.150 -11.884 1.00 0.30 H ATOM 1236 HB2 LYS A 79 -1.649 6.651 -9.129 1.00 0.37 H ATOM 1237 HB3 LYS A 79 -0.685 6.523 -10.601 1.00 0.33 H ATOM 1238 HG2 LYS A 79 -2.736 8.333 -11.239 1.00 1.14 H ATOM 1239 HG3 LYS A 79 -2.218 8.788 -9.618 1.00 1.27 H ATOM 1240 HD2 LYS A 79 0.119 8.882 -10.371 1.00 1.64 H ATOM 1241 HD3 LYS A 79 -0.371 8.378 -11.988 1.00 1.59 H ATOM 1242 HE2 LYS A 79 -1.986 10.455 -11.824 1.00 1.95 H ATOM 1243 HE3 LYS A 79 -0.846 10.994 -10.591 1.00 1.89 H ATOM 1244 HZ1 LYS A 79 0.399 9.989 -12.987 1.00 2.37 H ATOM 1245 HZ2 LYS A 79 -0.549 11.375 -13.241 1.00 2.35 H ATOM 1246 HZ3 LYS A 79 0.717 11.408 -12.110 1.00 2.31 H 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 1255 H MET A 80 -2.817 4.487 -8.729 1.00 0.26 H ATOM 1256 HA MET A 80 -1.031 2.425 -9.215 1.00 0.27 H ATOM 1257 HB2 MET A 80 -2.623 2.826 -7.179 1.00 0.35 H ATOM 1258 HB3 MET A 80 -3.729 1.768 -8.056 1.00 0.36 H ATOM 1259 HG2 MET A 80 -2.579 -0.033 -7.359 1.00 0.45 H ATOM 1260 HG3 MET A 80 -1.123 0.591 -8.134 1.00 0.50 H ATOM 1261 HE1 MET A 80 -3.510 1.556 -5.394 1.00 1.31 H ATOM 1262 HE2 MET A 80 -2.996 0.015 -4.723 1.00 1.27 H ATOM 1263 HE3 MET A 80 -2.584 1.511 -3.897 1.00 1.28 H 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 1272 H ILE A 81 -0.881 0.935 -10.782 1.00 0.26 H ATOM 1273 HA ILE A 81 -3.196 0.546 -12.581 1.00 0.45 H ATOM 1274 HB ILE A 81 -1.444 0.775 -14.030 1.00 0.38 H ATOM 1275 HG12 ILE A 81 -0.785 -2.069 -13.219 1.00 0.75 H ATOM 1276 HG13 ILE A 81 -2.151 -1.635 -14.247 1.00 0.91 H ATOM 1277 HG21 ILE A 81 0.387 -0.346 -11.895 1.00 1.08 H ATOM 1278 HG22 ILE A 81 0.917 0.283 -13.454 1.00 1.01 H ATOM 1279 HG23 ILE A 81 0.160 1.359 -12.280 1.00 1.02 H ATOM 1280 HD11 ILE A 81 -0.153 -0.285 -15.502 1.00 1.28 H ATOM 1281 HD12 ILE A 81 0.750 -1.659 -14.864 1.00 1.57 H ATOM 1282 HD13 ILE A 81 -0.630 -1.929 -15.929 1.00 1.11 H 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 1294 H PHE A 82 -2.680 -0.638 -9.745 1.00 0.66 H ATOM 1295 HA PHE A 82 -3.299 -3.439 -10.563 1.00 0.81 H ATOM 1296 HB2 PHE A 82 -1.924 -4.284 -8.987 1.00 0.68 H ATOM 1297 HB3 PHE A 82 -1.125 -2.731 -9.093 1.00 0.47 H ATOM 1298 HD1 PHE A 82 -3.890 -4.497 -7.292 1.00 2.11 H ATOM 1299 HD2 PHE A 82 -0.852 -1.472 -7.145 1.00 2.08 H ATOM 1300 HE1 PHE A 82 -4.374 -4.137 -4.897 1.00 2.06 H ATOM 1301 HE2 PHE A 82 -1.334 -1.109 -4.744 1.00 2.14 H ATOM 1302 HZ PHE A 82 -3.111 -2.436 -3.618 1.00 0.49 H 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 1308 H ALA A 83 -4.855 -4.554 -9.137 1.00 1.23 H ATOM 1309 HA ALA A 83 -6.374 -3.060 -7.209 1.00 0.82 H ATOM 1310 HB1 ALA A 83 -7.067 -2.750 -9.986 1.00 1.30 H ATOM 1311 HB2 ALA A 83 -8.388 -3.528 -9.115 1.00 1.48 H ATOM 1312 HB3 ALA A 83 -7.777 -1.964 -8.576 1.00 1.32 H 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 1317 H GLY A 84 -5.161 -5.779 -7.753 1.00 1.33 H ATOM 1318 HA2 GLY A 84 -6.963 -7.386 -6.323 1.00 1.80 H ATOM 1319 HA3 GLY A 84 -7.322 -7.665 -8.027 1.00 1.73 H 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 1328 H ILE A 85 -6.384 -9.774 -6.522 1.00 1.09 H ATOM 1329 HA ILE A 85 -3.636 -10.130 -7.639 1.00 0.79 H ATOM 1330 HB ILE A 85 -4.560 -11.256 -4.982 1.00 1.28 H ATOM 1331 HG12 ILE A 85 -2.487 -9.203 -4.887 1.00 2.08 H ATOM 1332 HG13 ILE A 85 -4.002 -8.575 -5.536 1.00 2.04 H ATOM 1333 HG21 ILE A 85 -2.067 -11.327 -6.623 1.00 1.33 H ATOM 1334 HG22 ILE A 85 -1.883 -11.228 -4.872 1.00 1.28 H ATOM 1335 HG23 ILE A 85 -2.767 -12.573 -5.591 1.00 1.25 H ATOM 1336 HD11 ILE A 85 -4.808 -10.168 -3.397 1.00 2.48 H ATOM 1337 HD12 ILE A 85 -3.348 -9.375 -2.804 1.00 2.60 H ATOM 1338 HD13 ILE A 85 -4.700 -8.408 -3.392 1.00 2.65 H 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 1348 H LYS A 86 -3.107 -12.590 -7.676 1.00 1.12 H ATOM 1349 HA LYS A 86 -4.858 -13.951 -9.365 1.00 1.09 H ATOM 1350 HB2 LYS A 86 -2.442 -14.546 -8.037 1.00 1.59 H ATOM 1351 HB3 LYS A 86 -3.553 -15.850 -7.615 1.00 1.50 H ATOM 1352 HG2 LYS A 86 -3.770 -16.564 -9.801 1.00 2.29 H ATOM 1353 HG3 LYS A 86 -3.470 -14.958 -10.466 1.00 2.20 H ATOM 1354 HD2 LYS A 86 -1.093 -15.139 -9.888 1.00 2.63 H ATOM 1355 HD3 LYS A 86 -1.375 -16.716 -9.152 1.00 2.49 H ATOM 1356 HE2 LYS A 86 -2.396 -17.299 -11.514 1.00 2.97 H ATOM 1357 HE3 LYS A 86 -1.403 -15.945 -12.053 1.00 2.88 H ATOM 1358 HZ1 LYS A 86 -0.209 -17.996 -10.325 1.00 3.32 H ATOM 1359 HZ2 LYS A 86 -0.427 -18.338 -11.974 1.00 3.39 H ATOM 1360 HZ3 LYS A 86 0.526 -17.014 -11.500 1.00 3.46 H 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 1370 H LYS A 87 -4.430 -15.045 -5.986 1.00 0.96 H ATOM 1371 HA LYS A 87 -7.071 -16.260 -5.989 1.00 1.11 H ATOM 1372 HB2 LYS A 87 -5.072 -15.771 -3.761 1.00 1.33 H ATOM 1373 HB3 LYS A 87 -6.562 -16.695 -3.570 1.00 1.55 H ATOM 1374 HG2 LYS A 87 -5.786 -18.182 -5.455 1.00 2.19 H ATOM 1375 HG3 LYS A 87 -4.239 -17.338 -5.404 1.00 2.06 H ATOM 1376 HD2 LYS A 87 -3.810 -18.075 -3.165 1.00 2.48 H ATOM 1377 HD3 LYS A 87 -5.465 -18.653 -2.969 1.00 2.36 H ATOM 1378 HE2 LYS A 87 -5.038 -20.306 -4.811 1.00 2.87 H ATOM 1379 HE3 LYS A 87 -3.351 -19.792 -4.822 1.00 2.98 H ATOM 1380 HZ1 LYS A 87 -3.494 -20.289 -2.307 1.00 3.57 H ATOM 1381 HZ2 LYS A 87 -4.837 -21.236 -2.734 1.00 3.59 H ATOM 1382 HZ3 LYS A 87 -3.311 -21.578 -3.398 1.00 3.52 H 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 1392 H LYS A 88 -6.147 -14.345 -3.208 1.00 0.85 H ATOM 1393 HA LYS A 88 -7.658 -11.993 -3.745 1.00 0.79 H ATOM 1394 HB2 LYS A 88 -9.213 -14.354 -2.969 1.00 1.52 H ATOM 1395 HB3 LYS A 88 -9.472 -12.979 -1.895 1.00 1.51 H ATOM 1396 HG2 LYS A 88 -10.444 -11.705 -3.535 1.00 2.14 H ATOM 1397 HG3 LYS A 88 -9.436 -12.390 -4.809 1.00 2.08 H ATOM 1398 HD2 LYS A 88 -11.146 -13.734 -5.388 1.00 2.44 H ATOM 1399 HD3 LYS A 88 -11.029 -14.512 -3.809 1.00 2.60 H ATOM 1400 HE2 LYS A 88 -12.480 -12.694 -2.871 1.00 3.22 H ATOM 1401 HE3 LYS A 88 -12.683 -12.067 -4.507 1.00 2.87 H ATOM 1402 HZ1 LYS A 88 -13.555 -14.265 -5.149 1.00 3.55 H ATOM 1403 HZ2 LYS A 88 -13.475 -14.753 -3.524 1.00 3.56 H ATOM 1404 HZ3 LYS A 88 -14.514 -13.490 -3.981 1.00 3.48 H 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 1412 H THR A 89 -6.884 -14.375 -1.205 1.00 0.60 H ATOM 1413 HA THR A 89 -6.739 -12.413 0.909 1.00 0.68 H ATOM 1414 HB THR A 89 -5.692 -14.193 2.214 1.00 1.14 H ATOM 1415 HG1 THR A 89 -5.078 -16.104 1.175 1.00 1.93 H ATOM 1416 HG21 THR A 89 -8.175 -14.269 1.539 1.00 2.05 H ATOM 1417 HG22 THR A 89 -7.702 -15.537 0.408 1.00 2.01 H ATOM 1418 HG23 THR A 89 -7.462 -15.765 2.141 1.00 2.04 H 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 1428 H GLU A 90 -4.777 -12.922 -1.761 1.00 0.55 H ATOM 1429 HA GLU A 90 -2.145 -12.669 -0.774 1.00 0.43 H ATOM 1430 HB2 GLU A 90 -3.499 -11.787 -3.311 1.00 0.87 H ATOM 1431 HB3 GLU A 90 -1.822 -11.331 -3.005 1.00 0.82 H ATOM 1432 HG2 GLU A 90 -2.339 -14.151 -2.420 1.00 1.98 H ATOM 1433 HG3 GLU A 90 -2.667 -13.738 -4.103 1.00 1.79 H 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 1445 H ARG A 91 -4.743 -10.401 -0.686 1.00 0.39 H ATOM 1446 HA ARG A 91 -3.063 -8.026 -0.525 1.00 0.36 H ATOM 1447 HB2 ARG A 91 -5.116 -6.854 0.078 1.00 1.06 H ATOM 1448 HB3 ARG A 91 -5.442 -7.940 -1.271 1.00 1.22 H ATOM 1449 HG2 ARG A 91 -7.197 -8.588 0.040 1.00 1.67 H ATOM 1450 HG3 ARG A 91 -5.976 -9.602 0.802 1.00 1.65 H ATOM 1451 HD2 ARG A 91 -5.710 -8.121 2.621 1.00 1.08 H ATOM 1452 HD3 ARG A 91 -6.430 -6.772 1.742 1.00 0.99 H ATOM 1453 HE ARG A 91 -8.463 -7.473 2.677 1.00 1.29 H ATOM 1454 HH11 ARG A 91 -6.227 -10.067 2.659 1.00 2.51 H ATOM 1455 HH12 ARG A 91 -7.418 -11.285 2.970 1.00 2.56 H ATOM 1456 HH21 ARG A 91 -10.090 -9.080 2.841 1.00 2.18 H ATOM 1457 HH22 ARG A 91 -9.605 -10.726 3.074 1.00 2.27 H 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 1467 H GLU A 92 -4.583 -10.232 1.797 1.00 0.32 H ATOM 1468 HA GLU A 92 -4.004 -8.704 4.146 1.00 0.29 H ATOM 1469 HB2 GLU A 92 -5.021 -11.327 3.520 1.00 0.58 H ATOM 1470 HB3 GLU A 92 -3.807 -11.458 4.793 1.00 0.52 H ATOM 1471 HG2 GLU A 92 -5.060 -9.401 5.830 1.00 1.52 H ATOM 1472 HG3 GLU A 92 -6.393 -9.926 4.801 1.00 1.40 H 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 1481 H ASP A 93 -2.111 -10.972 2.220 1.00 0.27 H ATOM 1482 HA ASP A 93 0.046 -11.335 4.042 1.00 0.26 H ATOM 1483 HB2 ASP A 93 -0.226 -11.509 1.054 1.00 0.34 H ATOM 1484 HB3 ASP A 93 1.370 -11.638 1.796 1.00 0.26 H 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 1493 H LEU A 94 -0.622 -8.783 1.676 1.00 0.24 H ATOM 1494 HA LEU A 94 1.944 -7.503 1.990 1.00 0.19 H ATOM 1495 HB2 LEU A 94 0.527 -6.913 0.083 1.00 0.30 H ATOM 1496 HB3 LEU A 94 -0.709 -6.283 1.182 1.00 0.23 H ATOM 1497 HG LEU A 94 1.743 -5.117 1.983 1.00 0.21 H ATOM 1498 HD11 LEU A 94 2.287 -5.890 -0.466 1.00 1.04 H ATOM 1499 HD12 LEU A 94 1.292 -4.513 -0.926 1.00 1.10 H ATOM 1500 HD13 LEU A 94 2.740 -4.265 0.052 1.00 1.01 H ATOM 1501 HD21 LEU A 94 -0.518 -4.119 2.137 1.00 1.01 H ATOM 1502 HD22 LEU A 94 0.621 -3.031 1.345 1.00 1.01 H ATOM 1503 HD23 LEU A 94 -0.548 -3.936 0.384 1.00 1.04 H 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 1512 H ILE A 95 -1.132 -7.303 3.689 1.00 0.19 H ATOM 1513 HA ILE A 95 -0.553 -4.974 5.223 1.00 0.14 H ATOM 1514 HB ILE A 95 -1.993 -7.357 6.368 1.00 0.24 H ATOM 1515 HG12 ILE A 95 -2.918 -5.460 4.198 1.00 0.72 H ATOM 1516 HG13 ILE A 95 -2.884 -7.221 4.141 1.00 0.65 H ATOM 1517 HG21 ILE A 95 -1.536 -4.716 7.172 1.00 1.01 H ATOM 1518 HG22 ILE A 95 -3.195 -4.716 6.572 1.00 1.03 H ATOM 1519 HG23 ILE A 95 -2.722 -5.826 7.859 1.00 1.04 H ATOM 1520 HD11 ILE A 95 -4.497 -7.206 6.094 1.00 1.55 H ATOM 1521 HD12 ILE A 95 -4.675 -5.471 5.837 1.00 0.97 H ATOM 1522 HD13 ILE A 95 -5.160 -6.605 4.575 1.00 1.28 H 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 1528 H ALA A 96 0.726 -8.166 5.233 1.00 0.16 H ATOM 1529 HA ALA A 96 1.860 -7.997 7.922 1.00 0.16 H ATOM 1530 HB1 ALA A 96 1.346 -10.134 6.424 1.00 0.98 H ATOM 1531 HB2 ALA A 96 2.954 -9.802 5.781 1.00 1.03 H ATOM 1532 HB3 ALA A 96 2.743 -10.124 7.502 1.00 1.02 H 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 1545 H TYR A 97 2.758 -7.391 4.585 1.00 0.14 H ATOM 1546 HA TYR A 97 5.538 -6.883 4.934 1.00 0.13 H ATOM 1547 HB2 TYR A 97 4.597 -7.061 2.705 1.00 0.13 H ATOM 1548 HB3 TYR A 97 3.607 -5.631 2.966 1.00 0.12 H ATOM 1549 HD1 TYR A 97 7.179 -6.473 3.710 1.00 0.12 H ATOM 1550 HD2 TYR A 97 4.454 -3.800 1.758 1.00 0.12 H ATOM 1551 HE1 TYR A 97 9.077 -5.051 3.031 1.00 0.13 H ATOM 1552 HE2 TYR A 97 6.354 -2.363 1.085 1.00 0.12 H ATOM 1553 HH TYR A 97 9.677 -3.394 1.552 1.00 0.62 H 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 1562 H LEU A 98 2.743 -4.715 5.133 1.00 0.12 H ATOM 1563 HA LEU A 98 4.455 -2.470 5.921 1.00 0.11 H ATOM 1564 HB2 LEU A 98 1.444 -2.498 5.942 1.00 0.12 H ATOM 1565 HB3 LEU A 98 2.525 -1.127 5.697 1.00 0.12 H ATOM 1566 HG LEU A 98 2.566 -3.444 3.769 1.00 0.12 H ATOM 1567 HD11 LEU A 98 0.450 -1.409 4.174 1.00 0.99 H ATOM 1568 HD12 LEU A 98 1.010 -1.600 2.512 1.00 1.02 H ATOM 1569 HD13 LEU A 98 0.360 -2.986 3.389 1.00 1.00 H ATOM 1570 HD21 LEU A 98 4.202 -1.352 3.993 1.00 1.02 H ATOM 1571 HD22 LEU A 98 3.737 -1.998 2.420 1.00 1.03 H ATOM 1572 HD23 LEU A 98 2.925 -0.569 3.062 1.00 1.01 H 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 1582 H LYS A 99 1.575 -4.015 7.372 1.00 0.13 H ATOM 1583 HA LYS A 99 1.488 -2.970 9.876 1.00 0.14 H ATOM 1584 HB2 LYS A 99 0.081 -4.870 9.249 1.00 0.19 H ATOM 1585 HB3 LYS A 99 1.485 -5.940 9.239 1.00 0.16 H ATOM 1586 HG2 LYS A 99 1.839 -5.392 11.669 1.00 0.58 H ATOM 1587 HG3 LYS A 99 0.305 -4.497 11.636 1.00 0.65 H ATOM 1588 HD2 LYS A 99 -0.961 -6.443 11.285 1.00 1.42 H ATOM 1589 HD3 LYS A 99 0.422 -7.352 10.677 1.00 1.36 H ATOM 1590 HE2 LYS A 99 1.430 -7.278 12.955 1.00 1.91 H ATOM 1591 HE3 LYS A 99 -0.016 -6.456 13.542 1.00 1.82 H ATOM 1592 HZ1 LYS A 99 -1.334 -8.356 12.837 1.00 2.45 H ATOM 1593 HZ2 LYS A 99 0.066 -9.149 12.293 1.00 2.37 H ATOM 1594 HZ3 LYS A 99 -0.139 -8.827 13.948 1.00 2.56 H 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 1604 H LYS A 100 3.977 -5.154 8.672 1.00 0.12 H ATOM 1605 HA LYS A 100 5.415 -5.158 11.247 1.00 0.15 H ATOM 1606 HB2 LYS A 100 5.379 -6.851 9.010 1.00 0.57 H ATOM 1607 HB3 LYS A 100 6.956 -6.063 8.945 1.00 0.61 H ATOM 1608 HG2 LYS A 100 7.006 -6.613 11.523 1.00 1.60 H ATOM 1609 HG3 LYS A 100 5.810 -7.832 11.082 1.00 1.45 H ATOM 1610 HD2 LYS A 100 7.341 -9.111 9.981 1.00 1.90 H ATOM 1611 HD3 LYS A 100 8.160 -7.708 9.295 1.00 1.97 H ATOM 1612 HE2 LYS A 100 9.739 -8.639 10.802 1.00 2.22 H ATOM 1613 HE3 LYS A 100 9.039 -7.280 11.681 1.00 2.23 H ATOM 1614 HZ1 LYS A 100 7.882 -9.983 11.909 1.00 2.89 H ATOM 1615 HZ2 LYS A 100 9.217 -9.531 12.857 1.00 2.96 H ATOM 1616 HZ3 LYS A 100 7.756 -8.675 12.984 1.00 3.21 H 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 1622 H ALA A 101 5.883 -3.900 7.942 1.00 0.12 H ATOM 1623 HA ALA A 101 8.275 -2.431 8.488 1.00 0.15 H ATOM 1624 HB1 ALA A 101 6.271 -2.571 6.347 1.00 1.03 H ATOM 1625 HB2 ALA A 101 6.901 -0.945 6.579 1.00 1.02 H ATOM 1626 HB3 ALA A 101 8.004 -2.273 6.227 1.00 1.01 H 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 1634 H THR A 102 5.114 -0.971 7.855 1.00 0.13 H ATOM 1635 HA THR A 102 5.438 1.506 8.982 1.00 0.20 H ATOM 1636 HB THR A 102 3.100 1.646 9.184 1.00 0.26 H ATOM 1637 HG1 THR A 102 2.902 -1.146 9.477 1.00 0.86 H ATOM 1638 HG21 THR A 102 4.108 0.448 6.961 1.00 1.03 H ATOM 1639 HG22 THR A 102 2.926 -0.756 7.474 1.00 1.03 H ATOM 1640 HG23 THR A 102 2.414 0.900 7.149 1.00 1.01 H 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 1649 H ASN A 103 4.358 -1.379 10.834 1.00 0.25 H ATOM 1650 HA ASN A 103 4.205 -0.278 13.376 1.00 0.32 H ATOM 1651 HB2 ASN A 103 3.697 -2.593 13.117 1.00 0.26 H ATOM 1652 HB3 ASN A 103 5.301 -2.948 12.474 1.00 0.34 H ATOM 1653 HD21 ASN A 103 3.486 -3.236 15.261 1.00 1.89 H ATOM 1654 HD22 ASN A 103 4.740 -3.261 16.405 1.00 1.23 H 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 1665 H GLU A 104 7.187 -1.516 11.830 1.00 1.59 H ATOM 1666 HA GLU A 104 8.724 0.395 13.518 1.00 0.60 H ATOM 1667 HB2 GLU A 104 8.645 -2.275 14.134 1.00 2.23 H ATOM 1668 HB3 GLU A 104 10.047 -2.204 13.065 1.00 2.26 H ATOM 1669 HG2 GLU A 104 10.062 0.032 14.907 1.00 2.51 H ATOM 1670 HG3 GLU A 104 9.967 -1.494 15.786 1.00 2.63 H 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 1715 HHA HEC A 105 -1.902 5.452 -4.058 1.00 0.25 H HETATM 1716 HHB HEC A 105 0.266 0.604 -0.646 1.00 0.38 H HETATM 1717 HHC HEC A 105 1.318 -2.125 -6.288 1.00 0.38 H HETATM 1718 HHD HEC A 105 2.071 3.706 -8.664 1.00 0.29 H HETATM 1719 HMA1 HEC A 105 -2.179 3.200 0.683 1.00 1.10 H HETATM 1720 HMA2 HEC A 105 -1.393 1.611 0.526 1.00 1.08 H HETATM 1721 HMA3 HEC A 105 -0.438 3.032 1.012 1.00 1.00 H HETATM 1722 HAA1 HEC A 105 -3.044 4.957 -0.872 1.00 0.85 H HETATM 1723 HAA2 HEC A 105 -2.192 6.000 -2.019 1.00 0.82 H HETATM 1724 HBA1 HEC A 105 -0.278 5.987 -0.290 1.00 0.84 H HETATM 1725 HBA2 HEC A 105 -1.494 5.376 0.849 1.00 0.79 H HETATM 1726 HMB1 HEC A 105 -0.132 -2.742 -0.964 1.00 1.12 H HETATM 1727 HMB2 HEC A 105 0.632 -1.327 -0.201 1.00 1.10 H HETATM 1728 HMB3 HEC A 105 1.637 -2.679 -0.778 1.00 1.15 H HETATM 1729 HAB HEC A 105 1.847 -3.862 -2.734 1.00 1.18 H HETATM 1730 HBB1 HEC A 105 -0.611 -4.116 -3.320 1.00 1.04 H HETATM 1731 HBB2 HEC A 105 0.486 -5.453 -3.742 1.00 1.08 H HETATM 1732 HBB3 HEC A 105 -0.064 -4.322 -5.002 1.00 1.02 H HETATM 1733 HMC1 HEC A 105 2.086 -1.827 -9.462 1.00 1.11 H HETATM 1734 HMC2 HEC A 105 2.846 -2.299 -7.923 1.00 1.11 H HETATM 1735 HMC3 HEC A 105 3.769 -1.360 -9.120 1.00 1.04 H HETATM 1736 HAC HEC A 105 2.420 2.366 -10.203 1.00 0.36 H HETATM 1737 HBC1 HEC A 105 1.886 -0.257 -10.842 1.00 1.12 H HETATM 1738 HBC2 HEC A 105 3.550 0.006 -11.415 1.00 1.16 H HETATM 1739 HBC3 HEC A 105 2.243 1.080 -11.963 1.00 1.02 H HETATM 1740 HMD1 HEC A 105 0.111 7.029 -8.670 1.00 1.04 H HETATM 1741 HMD2 HEC A 105 0.633 5.521 -9.460 1.00 1.04 H HETATM 1742 HMD3 HEC A 105 1.798 6.488 -8.525 1.00 1.07 H HETATM 1743 HAD1 HEC A 105 -0.653 7.852 -6.847 1.00 0.86 H HETATM 1744 HAD2 HEC A 105 -1.204 7.434 -5.213 1.00 0.87 H HETATM 1745 HBD1 HEC A 105 -3.225 6.577 -5.958 1.00 1.07 H HETATM 1746 HBD2 HEC A 105 -2.594 6.211 -7.579 1.00 1.00 H HETATM 1747 O HOH A 200 7.098 2.506 -1.705 1.00 0.00 O HETATM 1748 H1 HOH A 200 7.175 3.442 -1.891 1.00 0.00 H HETATM 1749 H2 HOH A 200 7.217 2.082 -2.555 1.00 0.00 H HETATM 1750 O HOH A 201 -4.467 3.466 -1.695 1.00 0.00 O HETATM 1751 H1 HOH A 201 -3.839 3.873 -1.098 1.00 0.00 H HETATM 1752 H2 HOH A 201 -4.389 2.528 -1.523 1.00 0.00 H HETATM 1753 O HOH A 202 -5.380 -3.903 -11.238 1.00 0.00 O HETATM 1754 H1 HOH A 202 -4.759 -4.003 -11.960 1.00 0.00 H HETATM 1755 H2 HOH A 202 -6.226 -4.147 -11.614 1.00 0.00 H HETATM 1756 O HOH A 203 1.429 5.121 0.755 1.00 0.00 O HETATM 1757 H1 HOH A 203 0.684 4.590 0.474 1.00 0.00 H HETATM 1758 H2 HOH A 203 2.188 4.549 0.641 1.00 0.00 H HETATM 1759 O HOH A 204 -7.710 2.856 3.567 1.00 0.00 O HETATM 1760 H1 HOH A 204 -7.205 3.088 2.787 1.00 0.00 H HETATM 1761 H2 HOH A 204 -8.624 2.916 3.290 1.00 0.00 H HETATM 1762 O HOH A 205 -1.097 -0.855 6.396 1.00 0.00 O HETATM 1763 H1 HOH A 205 -0.883 -1.783 6.288 1.00 0.00 H HETATM 1764 H2 HOH A 205 -1.232 -0.533 5.505 1.00 0.00 H 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 MASTER 136 0 1 6 0 10 6 6 1763 1 80 8 END