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*** RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA ***elNémo ID: 2402291154411098567Job options:ID = 2402291154411098567 JOBID = RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER RIBONUCLEASE INHIBITOR 09-MAY-94 1BTA TITLE THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF BARSTAR TITLE 2 USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY COMPND MOL_ID: 1; COMPND 2 MOLECULE: BARSTAR; COMPND 3 CHAIN: A; COMPND 4 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS AMYLOLIQUEFACIENS; SOURCE 3 ORGANISM_TAXID: 1390 KEYWDS RIBONUCLEASE INHIBITOR EXPDTA SOLUTION NMR AUTHOR M.J.LUBIENSKI,M.BYCROFT,S.M.V.FREUND,A.R.FERSHT REVDAT 3 16-FEB-22 1BTA 1 REMARK REVDAT 2 24-FEB-09 1BTA 1 VERSN REVDAT 1 31-JUL-94 1BTA 0 JRNL AUTH M.J.LUBIENSKI,M.BYCROFT,S.M.FREUND,A.R.FERSHT JRNL TITL THREE-DIMENSIONAL SOLUTION STRUCTURE AND 13C ASSIGNMENTS OF JRNL TITL 2 BARSTAR USING NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY. JRNL REF BIOCHEMISTRY V. 33 8866 1994 JRNL REFN ISSN 0006-2960 JRNL PMID 8043574 JRNL DOI 10.1021/BI00196A003 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH R.W.HARTLEY REMARK 1 TITL BARNASE AND BARSTAR: TWO SMALL PROTEINS TO FOLD AND FIT REMARK 1 TITL 2 TOGETHER REMARK 1 REF TRENDS BIOCHEM.SCI. V. 14 450 1989 REMARK 1 REFN ISSN 0968-0004 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 1BTA COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL. REMARK 100 THE DEPOSITION ID IS D_1000172065. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : NULL REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : NULL REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL REMARK 210 SPECTROMETER FIELD STRENGTH : NULL REMARK 210 SPECTROMETER MODEL : NULL REMARK 210 SPECTROMETER MANUFACTURER : NULL REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : NULL REMARK 210 METHOD USED : NULL REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL 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 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 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 PRO A 27 -179.66 -57.36 REMARK 500 TYR A 30 105.85 -38.41 REMARK 500 GLU A 32 3.60 50.07 REMARK 500 TRP A 44 -66.63 177.13 REMARK 500 LEU A 62 -32.03 -33.51 REMARK 500 GLU A 64 106.99 -12.37 REMARK 500 ASN A 65 32.13 73.69 REMARK 500 ASP A 83 65.33 -109.29 REMARK 500 THR A 85 98.90 -52.92 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 11 0.17 SIDE CHAIN REMARK 500 ARG A 54 0.31 SIDE CHAIN REMARK 500 ARG A 75 0.11 SIDE CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1BTB RELATED DB: PDB DBREF 1BTA A 1 89 UNP P11540 BARS_BACAM 1 89 SEQRES 1 A 89 LYS LYS ALA VAL ILE ASN GLY GLU GLN ILE ARG SER ILE SEQRES 2 A 89 SER ASP LEU HIS GLN THR LEU LYS LYS GLU LEU ALA LEU SEQRES 3 A 89 PRO GLU TYR TYR GLY GLU ASN LEU ASP ALA LEU TRP ASP SEQRES 4 A 89 CYS LEU THR GLY TRP VAL GLU TYR PRO LEU VAL LEU GLU SEQRES 5 A 89 TRP ARG GLN PHE GLU GLN SER LYS GLN LEU THR GLU ASN SEQRES 6 A 89 GLY ALA GLU SER VAL LEU GLN VAL PHE ARG GLU ALA LYS SEQRES 7 A 89 ALA GLU GLY CYS ASP ILE THR ILE ILE LEU SER HELIX 1 H1 SER A 14 ALA A 25 1 12 HELIX 2 H2 ASN A 33 GLY A 43 1 11 HELIX 3 H3 PHE A 56 THR A 63 1 8 HELIX 4 H4 GLU A 68 GLY A 81 1 14 SHEET 1 SH1 3 LYS A 1 ASN A 6 0 SHEET 2 SH1 3 LEU A 49 ARG A 54 1 SHEET 3 SH1 3 ASP A 83 SER A 89 1 CISPEP 1 TYR A 47 PRO A 48 0 0.92 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 LYS A 1 -8.655 5.770 8.371 1.00 1.40 N ATOM 2 CA LYS A 1 -7.542 5.187 9.163 1.00 0.52 C ATOM 3 C LYS A 1 -6.210 5.619 8.561 1.00 0.39 C ATOM 4 O LYS A 1 -6.156 6.468 7.693 1.00 0.33 O ATOM 5 CB LYS A 1 -7.641 3.666 9.159 1.00 1.53 C ATOM 6 CG LYS A 1 -7.750 3.179 10.602 1.00 2.38 C ATOM 7 CD LYS A 1 -9.158 3.466 11.126 1.00 3.11 C ATOM 8 CE LYS A 1 -9.145 4.744 11.965 1.00 3.58 C ATOM 9 NZ LYS A 1 -9.497 4.416 13.375 1.00 4.21 N ATOM 10 H1 LYS A 1 -8.409 6.745 8.105 1.00 1.94 H ATOM 11 H2 LYS A 1 -8.809 5.202 7.514 1.00 2.04 H ATOM 12 H3 LYS A 1 -9.523 5.775 8.942 1.00 1.89 H ATOM 13 HA LYS A 1 -7.604 5.545 10.180 1.00 1.19 H ATOM 14 HB2 LYS A 1 -8.516 3.361 8.603 1.00 1.84 H ATOM 15 HB3 LYS A 1 -6.756 3.246 8.705 1.00 2.02 H ATOM 16 HG2 LYS A 1 -7.558 2.117 10.640 1.00 2.57 H ATOM 17 HG3 LYS A 1 -7.025 3.703 11.212 1.00 2.64 H ATOM 18 HD2 LYS A 1 -9.833 3.592 10.290 1.00 3.38 H ATOM 19 HD3 LYS A 1 -9.491 2.640 11.735 1.00 3.41 H ATOM 20 HE2 LYS A 1 -8.160 5.186 11.934 1.00 3.84 H ATOM 21 HE3 LYS A 1 -9.866 5.442 11.568 1.00 3.71 H ATOM 22 HZ1 LYS A 1 -9.394 3.393 13.530 1.00 4.40 H ATOM 23 HZ2 LYS A 1 -8.864 4.932 14.019 1.00 4.64 H ATOM 24 HZ3 LYS A 1 -10.481 4.694 13.559 1.00 4.45 H ATOM 25 N LYS A 2 -5.128 5.066 9.028 1.00 0.51 N ATOM 26 CA LYS A 2 -3.813 5.485 8.490 1.00 0.44 C ATOM 27 C LYS A 2 -2.931 4.277 8.172 1.00 0.41 C ATOM 28 O LYS A 2 -3.040 3.218 8.757 1.00 0.58 O ATOM 29 CB LYS A 2 -3.138 6.383 9.534 1.00 0.63 C ATOM 30 CG LYS A 2 -1.624 6.134 9.604 1.00 1.04 C ATOM 31 CD LYS A 2 -0.967 7.224 10.453 1.00 0.93 C ATOM 32 CE LYS A 2 0.116 7.929 9.634 1.00 0.63 C ATOM 33 NZ LYS A 2 1.057 8.630 10.551 1.00 1.43 N ATOM 34 H LYS A 2 -5.180 4.399 9.744 1.00 0.70 H ATOM 35 HA LYS A 2 -3.967 6.055 7.587 1.00 0.38 H ATOM 36 HB2 LYS A 2 -3.311 7.411 9.268 1.00 1.42 H ATOM 37 HB3 LYS A 2 -3.580 6.180 10.499 1.00 1.18 H ATOM 38 HG2 LYS A 2 -1.438 5.168 10.051 1.00 1.70 H ATOM 39 HG3 LYS A 2 -1.208 6.157 8.608 1.00 1.84 H ATOM 40 HD2 LYS A 2 -1.716 7.942 10.757 1.00 1.28 H ATOM 41 HD3 LYS A 2 -0.521 6.777 11.329 1.00 1.30 H ATOM 42 HE2 LYS A 2 0.660 7.199 9.052 1.00 1.03 H ATOM 43 HE3 LYS A 2 -0.343 8.648 8.971 1.00 0.93 H ATOM 44 HZ1 LYS A 2 0.538 8.961 11.391 1.00 1.83 H ATOM 45 HZ2 LYS A 2 1.809 7.974 10.844 1.00 1.98 H ATOM 46 HZ3 LYS A 2 1.480 9.442 10.061 1.00 1.99 H ATOM 47 N ALA A 3 -2.040 4.474 7.250 1.00 0.27 N ATOM 48 CA ALA A 3 -1.086 3.403 6.848 1.00 0.30 C ATOM 49 C ALA A 3 0.316 4.013 6.751 1.00 0.30 C ATOM 50 O ALA A 3 0.469 5.207 6.586 1.00 0.54 O ATOM 51 CB ALA A 3 -1.491 2.834 5.486 1.00 0.34 C ATOM 52 H ALA A 3 -1.991 5.353 6.827 1.00 0.25 H ATOM 53 HA ALA A 3 -1.088 2.618 7.589 1.00 0.34 H ATOM 54 HB1 ALA A 3 -2.257 3.457 5.050 1.00 1.08 H ATOM 55 HB2 ALA A 3 -0.630 2.813 4.834 1.00 1.05 H ATOM 56 HB3 ALA A 3 -1.871 1.831 5.612 1.00 1.07 H ATOM 57 N VAL A 4 1.342 3.214 6.860 1.00 0.30 N ATOM 58 CA VAL A 4 2.725 3.769 6.780 1.00 0.27 C ATOM 59 C VAL A 4 3.643 2.773 6.074 1.00 0.26 C ATOM 60 O VAL A 4 3.842 1.667 6.535 1.00 0.33 O ATOM 61 CB VAL A 4 3.250 4.021 8.194 1.00 0.30 C ATOM 62 CG1 VAL A 4 4.617 4.709 8.122 1.00 0.35 C ATOM 63 CG2 VAL A 4 2.262 4.915 8.946 1.00 0.35 C ATOM 64 H VAL A 4 1.206 2.255 6.999 1.00 0.50 H ATOM 65 HA VAL A 4 2.710 4.699 6.231 1.00 0.27 H ATOM 66 HB VAL A 4 3.351 3.078 8.712 1.00 0.32 H ATOM 67 HG11 VAL A 4 4.554 5.568 7.472 1.00 1.08 H ATOM 68 HG12 VAL A 4 4.912 5.026 9.111 1.00 1.02 H ATOM 69 HG13 VAL A 4 5.350 4.015 7.733 1.00 1.13 H ATOM 70 HG21 VAL A 4 1.782 5.587 8.250 1.00 1.05 H ATOM 71 HG22 VAL A 4 1.514 4.300 9.425 1.00 0.98 H ATOM 72 HG23 VAL A 4 2.791 5.488 9.694 1.00 1.11 H ATOM 73 N ILE A 5 4.210 3.153 4.961 1.00 0.23 N ATOM 74 CA ILE A 5 5.117 2.213 4.245 1.00 0.23 C ATOM 75 C ILE A 5 6.570 2.567 4.552 1.00 0.25 C ATOM 76 O ILE A 5 7.176 3.388 3.893 1.00 0.27 O ATOM 77 CB ILE A 5 4.879 2.300 2.742 1.00 0.23 C ATOM 78 CG1 ILE A 5 3.360 2.231 2.478 1.00 0.23 C ATOM 79 CG2 ILE A 5 5.620 1.142 2.061 1.00 0.24 C ATOM 80 CD1 ILE A 5 3.034 1.246 1.346 1.00 0.22 C ATOM 81 H ILE A 5 4.044 4.052 4.602 1.00 0.24 H ATOM 82 HA ILE A 5 4.920 1.205 4.580 1.00 0.23 H ATOM 83 HB ILE A 5 5.268 3.239 2.372 1.00 0.25 H ATOM 84 HG12 ILE A 5 2.860 1.912 3.380 1.00 0.25 H ATOM 85 HG13 ILE A 5 3.005 3.214 2.207 1.00 0.27 H ATOM 86 HG21 ILE A 5 6.584 1.008 2.531 1.00 1.02 H ATOM 87 HG22 ILE A 5 5.042 0.236 2.162 1.00 1.06 H ATOM 88 HG23 ILE A 5 5.758 1.366 1.015 1.00 1.03 H ATOM 89 HD11 ILE A 5 3.776 1.335 0.567 1.00 1.05 H ATOM 90 HD12 ILE A 5 3.039 0.238 1.736 1.00 1.01 H ATOM 91 HD13 ILE A 5 2.058 1.473 0.942 1.00 1.05 H ATOM 92 N ASN A 6 7.134 1.947 5.547 1.00 0.27 N ATOM 93 CA ASN A 6 8.545 2.232 5.905 1.00 0.31 C ATOM 94 C ASN A 6 9.466 1.399 5.009 1.00 0.31 C ATOM 95 O ASN A 6 9.611 0.207 5.189 1.00 0.35 O ATOM 96 CB ASN A 6 8.759 1.859 7.370 1.00 0.37 C ATOM 97 CG ASN A 6 8.067 2.890 8.264 1.00 0.65 C ATOM 98 OD1 ASN A 6 7.534 3.869 7.782 1.00 1.48 O ATOM 99 ND2 ASN A 6 8.054 2.711 9.557 1.00 1.13 N ATOM 100 H ASN A 6 6.628 1.287 6.062 1.00 0.28 H ATOM 101 HA ASN A 6 8.751 3.283 5.764 1.00 0.32 H ATOM 102 HB2 ASN A 6 8.338 0.881 7.556 1.00 0.46 H ATOM 103 HB3 ASN A 6 9.810 1.847 7.587 1.00 0.35 H ATOM 104 HD21 ASN A 6 8.484 1.922 9.947 1.00 1.84 H ATOM 105 HD22 ASN A 6 7.613 3.366 10.138 1.00 1.23 H ATOM 106 N GLY A 7 10.078 2.017 4.035 1.00 0.33 N ATOM 107 CA GLY A 7 10.976 1.261 3.114 1.00 0.36 C ATOM 108 C GLY A 7 12.182 0.718 3.879 1.00 0.35 C ATOM 109 O GLY A 7 12.583 -0.414 3.694 1.00 0.46 O ATOM 110 H GLY A 7 9.938 2.978 3.900 1.00 0.36 H ATOM 111 HA2 GLY A 7 10.428 0.436 2.685 1.00 0.39 H ATOM 112 HA3 GLY A 7 11.318 1.915 2.327 1.00 0.41 H ATOM 113 N GLU A 8 12.767 1.509 4.735 1.00 0.38 N ATOM 114 CA GLU A 8 13.946 1.022 5.505 1.00 0.43 C ATOM 115 C GLU A 8 13.659 -0.390 6.019 1.00 0.39 C ATOM 116 O GLU A 8 14.559 -1.170 6.260 1.00 0.45 O ATOM 117 CB GLU A 8 14.207 1.950 6.696 1.00 0.53 C ATOM 118 CG GLU A 8 14.064 3.409 6.256 1.00 1.39 C ATOM 119 CD GLU A 8 14.660 4.324 7.328 1.00 1.74 C ATOM 120 OE1 GLU A 8 14.225 4.232 8.464 1.00 2.30 O ATOM 121 OE2 GLU A 8 15.540 5.100 6.994 1.00 2.19 O ATOM 122 H GLU A 8 12.430 2.419 4.873 1.00 0.47 H ATOM 123 HA GLU A 8 14.814 1.003 4.863 1.00 0.46 H ATOM 124 HB2 GLU A 8 13.494 1.739 7.479 1.00 1.12 H ATOM 125 HB3 GLU A 8 15.208 1.785 7.067 1.00 1.14 H ATOM 126 HG2 GLU A 8 14.587 3.557 5.322 1.00 2.04 H ATOM 127 HG3 GLU A 8 13.019 3.645 6.127 1.00 2.01 H ATOM 128 N GLN A 9 12.408 -0.720 6.195 1.00 0.35 N ATOM 129 CA GLN A 9 12.051 -2.069 6.699 1.00 0.38 C ATOM 130 C GLN A 9 11.745 -3.001 5.523 1.00 0.35 C ATOM 131 O GLN A 9 12.213 -4.121 5.468 1.00 0.40 O ATOM 132 CB GLN A 9 10.811 -1.937 7.578 1.00 0.43 C ATOM 133 CG GLN A 9 11.027 -0.819 8.600 1.00 0.50 C ATOM 134 CD GLN A 9 11.790 -1.365 9.805 1.00 1.06 C ATOM 135 OE1 GLN A 9 12.979 -1.155 9.931 1.00 1.97 O ATOM 136 NE2 GLN A 9 11.151 -2.059 10.705 1.00 1.49 N ATOM 137 H GLN A 9 11.697 -0.075 6.004 1.00 0.34 H ATOM 138 HA GLN A 9 12.865 -2.469 7.278 1.00 0.42 H ATOM 139 HB2 GLN A 9 9.964 -1.691 6.955 1.00 0.41 H ATOM 140 HB3 GLN A 9 10.628 -2.868 8.092 1.00 0.49 H ATOM 141 HG2 GLN A 9 11.597 -0.022 8.145 1.00 0.88 H ATOM 142 HG3 GLN A 9 10.071 -0.437 8.923 1.00 0.84 H ATOM 143 HE21 GLN A 9 10.190 -2.227 10.605 1.00 1.89 H ATOM 144 HE22 GLN A 9 11.631 -2.412 11.483 1.00 1.96 H ATOM 145 N ILE A 10 10.952 -2.550 4.591 1.00 0.32 N ATOM 146 CA ILE A 10 10.597 -3.408 3.424 1.00 0.34 C ATOM 147 C ILE A 10 11.825 -4.171 2.934 1.00 0.31 C ATOM 148 O ILE A 10 12.893 -3.617 2.765 1.00 0.35 O ATOM 149 CB ILE A 10 10.059 -2.546 2.281 1.00 0.37 C ATOM 150 CG1 ILE A 10 8.683 -2.005 2.655 1.00 0.51 C ATOM 151 CG2 ILE A 10 9.933 -3.402 1.018 1.00 0.35 C ATOM 152 CD1 ILE A 10 7.689 -3.158 2.715 1.00 0.78 C ATOM 153 H ILE A 10 10.579 -1.650 4.664 1.00 0.32 H ATOM 154 HA ILE A 10 9.838 -4.114 3.723 1.00 0.41 H ATOM 155 HB ILE A 10 10.735 -1.725 2.095 1.00 0.39 H ATOM 156 HG12 ILE A 10 8.735 -1.522 3.618 1.00 1.17 H ATOM 157 HG13 ILE A 10 8.360 -1.296 1.909 1.00 1.20 H ATOM 158 HG21 ILE A 10 9.793 -4.438 1.298 1.00 1.04 H ATOM 159 HG22 ILE A 10 9.083 -3.068 0.441 1.00 1.05 H ATOM 160 HG23 ILE A 10 10.831 -3.305 0.428 1.00 1.04 H ATOM 161 HD11 ILE A 10 7.647 -3.649 1.751 1.00 1.35 H ATOM 162 HD12 ILE A 10 8.005 -3.863 3.468 1.00 1.43 H ATOM 163 HD13 ILE A 10 6.713 -2.774 2.970 1.00 1.54 H ATOM 164 N ARG A 11 11.668 -5.440 2.692 1.00 0.33 N ATOM 165 CA ARG A 11 12.794 -6.261 2.200 1.00 0.37 C ATOM 166 C ARG A 11 12.423 -6.834 0.830 1.00 0.39 C ATOM 167 O ARG A 11 13.251 -7.368 0.120 1.00 0.48 O ATOM 168 CB ARG A 11 13.035 -7.400 3.184 1.00 0.50 C ATOM 169 CG ARG A 11 13.677 -6.844 4.458 1.00 0.57 C ATOM 170 CD ARG A 11 15.105 -7.376 4.589 1.00 1.27 C ATOM 171 NE ARG A 11 15.489 -7.404 6.030 1.00 1.87 N ATOM 172 CZ ARG A 11 16.544 -8.065 6.417 1.00 2.53 C ATOM 173 NH1 ARG A 11 16.881 -9.170 5.815 1.00 3.26 N ATOM 174 NH2 ARG A 11 17.261 -7.620 7.412 1.00 2.99 N ATOM 175 H ARG A 11 10.797 -5.858 2.830 1.00 0.36 H ATOM 176 HA ARG A 11 13.684 -5.654 2.117 1.00 0.37 H ATOM 177 HB2 ARG A 11 12.092 -7.867 3.429 1.00 0.56 H ATOM 178 HB3 ARG A 11 13.687 -8.122 2.738 1.00 0.55 H ATOM 179 HG2 ARG A 11 13.698 -5.765 4.408 1.00 0.94 H ATOM 180 HG3 ARG A 11 13.100 -7.153 5.317 1.00 0.87 H ATOM 181 HD2 ARG A 11 15.156 -8.374 4.183 1.00 1.84 H ATOM 182 HD3 ARG A 11 15.781 -6.731 4.046 1.00 1.87 H ATOM 183 HE ARG A 11 14.946 -6.924 6.690 1.00 2.29 H ATOM 184 HH11 ARG A 11 16.331 -9.515 5.056 1.00 3.46 H ATOM 185 HH12 ARG A 11 17.690 -9.677 6.115 1.00 3.88 H ATOM 186 HH21 ARG A 11 17.000 -6.773 7.874 1.00 3.03 H ATOM 187 HH22 ARG A 11 18.069 -8.126 7.711 1.00 3.64 H ATOM 188 N SER A 12 11.174 -6.725 0.458 1.00 0.37 N ATOM 189 CA SER A 12 10.732 -7.258 -0.860 1.00 0.45 C ATOM 190 C SER A 12 9.270 -6.869 -1.096 1.00 0.42 C ATOM 191 O SER A 12 8.619 -6.289 -0.242 1.00 0.37 O ATOM 192 CB SER A 12 10.862 -8.781 -0.865 1.00 0.56 C ATOM 193 OG SER A 12 11.282 -9.221 0.419 1.00 1.44 O ATOM 194 H SER A 12 10.524 -6.290 1.047 1.00 0.35 H ATOM 195 HA SER A 12 11.348 -6.840 -1.643 1.00 0.48 H ATOM 196 HB2 SER A 12 9.908 -9.225 -1.097 1.00 1.21 H ATOM 197 HB3 SER A 12 11.585 -9.077 -1.613 1.00 1.13 H ATOM 198 HG SER A 12 11.282 -10.182 0.418 1.00 1.77 H ATOM 199 N ILE A 13 8.741 -7.185 -2.245 1.00 0.47 N ATOM 200 CA ILE A 13 7.324 -6.831 -2.520 1.00 0.46 C ATOM 201 C ILE A 13 6.445 -7.446 -1.435 1.00 0.41 C ATOM 202 O ILE A 13 5.579 -6.799 -0.887 1.00 0.36 O ATOM 203 CB ILE A 13 6.908 -7.370 -3.892 1.00 0.56 C ATOM 204 CG1 ILE A 13 5.570 -6.749 -4.313 1.00 0.63 C ATOM 205 CG2 ILE A 13 6.753 -8.888 -3.812 1.00 0.64 C ATOM 206 CD1 ILE A 13 5.564 -5.246 -4.010 1.00 0.57 C ATOM 207 H ILE A 13 9.272 -7.656 -2.921 1.00 0.52 H ATOM 208 HA ILE A 13 7.218 -5.757 -2.502 1.00 0.43 H ATOM 209 HB ILE A 13 7.666 -7.126 -4.620 1.00 0.56 H ATOM 210 HG12 ILE A 13 5.423 -6.902 -5.372 1.00 0.75 H ATOM 211 HG13 ILE A 13 4.772 -7.226 -3.768 1.00 0.66 H ATOM 212 HG21 ILE A 13 7.675 -9.325 -3.457 1.00 1.21 H ATOM 213 HG22 ILE A 13 5.953 -9.131 -3.129 1.00 1.28 H ATOM 214 HG23 ILE A 13 6.522 -9.279 -4.792 1.00 1.15 H ATOM 215 HD11 ILE A 13 6.577 -4.869 -4.027 1.00 1.10 H ATOM 216 HD12 ILE A 13 4.976 -4.730 -4.755 1.00 1.16 H ATOM 217 HD13 ILE A 13 5.135 -5.077 -3.032 1.00 1.10 H ATOM 218 N SER A 14 6.669 -8.690 -1.109 1.00 0.46 N ATOM 219 CA SER A 14 5.851 -9.332 -0.047 1.00 0.44 C ATOM 220 C SER A 14 5.859 -8.424 1.179 1.00 0.37 C ATOM 221 O SER A 14 4.837 -8.162 1.781 1.00 0.35 O ATOM 222 CB SER A 14 6.453 -10.689 0.312 1.00 0.50 C ATOM 223 OG SER A 14 5.481 -11.469 0.996 1.00 1.07 O ATOM 224 H SER A 14 7.381 -9.195 -1.556 1.00 0.51 H ATOM 225 HA SER A 14 4.837 -9.463 -0.397 1.00 0.44 H ATOM 226 HB2 SER A 14 6.749 -11.201 -0.588 1.00 0.80 H ATOM 227 HB3 SER A 14 7.320 -10.541 0.942 1.00 0.85 H ATOM 228 HG SER A 14 5.314 -12.257 0.474 1.00 1.49 H ATOM 229 N ASP A 15 7.009 -7.928 1.541 1.00 0.34 N ATOM 230 CA ASP A 15 7.097 -7.021 2.709 1.00 0.30 C ATOM 231 C ASP A 15 6.187 -5.819 2.475 1.00 0.24 C ATOM 232 O ASP A 15 5.470 -5.386 3.353 1.00 0.23 O ATOM 233 CB ASP A 15 8.536 -6.538 2.871 1.00 0.30 C ATOM 234 CG ASP A 15 9.056 -6.939 4.254 1.00 0.33 C ATOM 235 OD1 ASP A 15 8.483 -7.843 4.840 1.00 1.17 O ATOM 236 OD2 ASP A 15 10.015 -6.335 4.705 1.00 1.08 O ATOM 237 H ASP A 15 7.814 -8.144 1.036 1.00 0.37 H ATOM 238 HA ASP A 15 6.789 -7.548 3.594 1.00 0.31 H ATOM 239 HB2 ASP A 15 9.154 -6.988 2.107 1.00 0.33 H ATOM 240 HB3 ASP A 15 8.564 -5.466 2.769 1.00 0.27 H ATOM 241 N LEU A 16 6.211 -5.283 1.288 1.00 0.25 N ATOM 242 CA LEU A 16 5.347 -4.111 0.980 1.00 0.23 C ATOM 243 C LEU A 16 3.898 -4.464 1.298 1.00 0.22 C ATOM 244 O LEU A 16 3.233 -3.804 2.073 1.00 0.21 O ATOM 245 CB LEU A 16 5.470 -3.779 -0.505 1.00 0.28 C ATOM 246 CG LEU A 16 4.802 -2.436 -0.784 1.00 0.31 C ATOM 247 CD1 LEU A 16 5.341 -1.386 0.188 1.00 0.31 C ATOM 248 CD2 LEU A 16 5.110 -2.013 -2.219 1.00 0.39 C ATOM 249 H LEU A 16 6.795 -5.657 0.594 1.00 0.29 H ATOM 250 HA LEU A 16 5.653 -3.262 1.569 1.00 0.22 H ATOM 251 HB2 LEU A 16 6.513 -3.728 -0.776 1.00 0.30 H ATOM 252 HB3 LEU A 16 4.984 -4.548 -1.086 1.00 0.33 H ATOM 253 HG LEU A 16 3.733 -2.532 -0.656 1.00 0.39 H ATOM 254 HD11 LEU A 16 6.331 -1.669 0.511 1.00 0.98 H ATOM 255 HD12 LEU A 16 5.383 -0.427 -0.306 1.00 1.09 H ATOM 256 HD13 LEU A 16 4.687 -1.320 1.045 1.00 1.09 H ATOM 257 HD21 LEU A 16 5.742 -2.755 -2.684 1.00 1.05 H ATOM 258 HD22 LEU A 16 4.189 -1.926 -2.775 1.00 1.10 H ATOM 259 HD23 LEU A 16 5.619 -1.061 -2.212 1.00 0.97 H ATOM 260 N HIS A 17 3.413 -5.509 0.701 1.00 0.22 N ATOM 261 CA HIS A 17 2.018 -5.941 0.944 1.00 0.22 C ATOM 262 C HIS A 17 1.874 -6.363 2.405 1.00 0.19 C ATOM 263 O HIS A 17 0.786 -6.432 2.941 1.00 0.19 O ATOM 264 CB HIS A 17 1.715 -7.120 0.024 1.00 0.26 C ATOM 265 CG HIS A 17 1.994 -6.716 -1.397 1.00 0.32 C ATOM 266 ND1 HIS A 17 1.294 -5.699 -2.026 1.00 0.38 N ATOM 267 CD2 HIS A 17 2.895 -7.181 -2.324 1.00 0.40 C ATOM 268 CE1 HIS A 17 1.779 -5.586 -3.276 1.00 0.44 C ATOM 269 NE2 HIS A 17 2.756 -6.465 -3.510 1.00 0.45 N ATOM 270 H HIS A 17 3.974 -6.019 0.089 1.00 0.24 H ATOM 271 HA HIS A 17 1.341 -5.128 0.729 1.00 0.23 H ATOM 272 HB2 HIS A 17 2.344 -7.958 0.291 1.00 0.27 H ATOM 273 HB3 HIS A 17 0.683 -7.400 0.121 1.00 0.27 H ATOM 274 HD1 HIS A 17 0.576 -5.161 -1.632 1.00 0.43 H ATOM 275 HD2 HIS A 17 3.605 -7.980 -2.157 1.00 0.48 H ATOM 276 HE1 HIS A 17 1.419 -4.874 -4.003 1.00 0.53 H ATOM 277 N GLN A 18 2.969 -6.639 3.055 1.00 0.19 N ATOM 278 CA GLN A 18 2.905 -7.047 4.475 1.00 0.19 C ATOM 279 C GLN A 18 2.501 -5.844 5.322 1.00 0.17 C ATOM 280 O GLN A 18 1.541 -5.888 6.067 1.00 0.18 O ATOM 281 CB GLN A 18 4.275 -7.553 4.927 1.00 0.21 C ATOM 282 CG GLN A 18 4.092 -8.654 5.975 1.00 0.55 C ATOM 283 CD GLN A 18 5.461 -9.139 6.452 1.00 1.31 C ATOM 284 OE1 GLN A 18 6.390 -8.363 6.557 1.00 2.11 O ATOM 285 NE2 GLN A 18 5.626 -10.399 6.749 1.00 2.02 N ATOM 286 H GLN A 18 3.831 -6.574 2.611 1.00 0.21 H ATOM 287 HA GLN A 18 2.178 -7.830 4.584 1.00 0.20 H ATOM 288 HB2 GLN A 18 4.811 -7.948 4.076 1.00 0.40 H ATOM 289 HB3 GLN A 18 4.835 -6.737 5.359 1.00 0.45 H ATOM 290 HG2 GLN A 18 3.535 -8.262 6.814 1.00 1.27 H ATOM 291 HG3 GLN A 18 3.552 -9.480 5.538 1.00 1.06 H ATOM 292 HE21 GLN A 18 4.876 -11.024 6.665 1.00 2.32 H ATOM 293 HE22 GLN A 18 6.499 -10.719 7.056 1.00 2.67 H ATOM 294 N THR A 19 3.229 -4.764 5.217 1.00 0.17 N ATOM 295 CA THR A 19 2.882 -3.573 6.019 1.00 0.17 C ATOM 296 C THR A 19 1.519 -3.063 5.542 1.00 0.17 C ATOM 297 O THR A 19 0.682 -2.691 6.328 1.00 0.18 O ATOM 298 CB THR A 19 3.976 -2.492 5.860 1.00 0.20 C ATOM 299 OG1 THR A 19 4.593 -2.276 7.121 1.00 0.22 O ATOM 300 CG2 THR A 19 3.371 -1.165 5.396 1.00 0.21 C ATOM 301 H THR A 19 3.996 -4.744 4.620 1.00 0.18 H ATOM 302 HA THR A 19 2.812 -3.861 7.050 1.00 0.18 H ATOM 303 HB THR A 19 4.713 -2.820 5.143 1.00 0.20 H ATOM 304 HG1 THR A 19 5.007 -1.410 7.104 1.00 0.99 H ATOM 305 HG21 THR A 19 2.472 -0.968 5.968 1.00 1.04 H ATOM 306 HG22 THR A 19 4.082 -0.368 5.556 1.00 1.01 H ATOM 307 HG23 THR A 19 3.125 -1.228 4.347 1.00 1.05 H ATOM 308 N LEU A 20 1.286 -3.056 4.258 1.00 0.16 N ATOM 309 CA LEU A 20 -0.022 -2.590 3.751 1.00 0.18 C ATOM 310 C LEU A 20 -1.104 -3.472 4.365 1.00 0.17 C ATOM 311 O LEU A 20 -2.183 -3.040 4.683 1.00 0.24 O ATOM 312 CB LEU A 20 -0.050 -2.738 2.232 1.00 0.19 C ATOM 313 CG LEU A 20 0.878 -1.705 1.588 1.00 0.20 C ATOM 314 CD1 LEU A 20 0.822 -1.851 0.068 1.00 0.23 C ATOM 315 CD2 LEU A 20 0.434 -0.292 1.981 1.00 0.21 C ATOM 316 H LEU A 20 1.961 -3.368 3.631 1.00 0.17 H ATOM 317 HA LEU A 20 -0.175 -1.562 4.026 1.00 0.19 H ATOM 318 HB2 LEU A 20 0.280 -3.732 1.964 1.00 0.19 H ATOM 319 HB3 LEU A 20 -1.053 -2.589 1.881 1.00 0.21 H ATOM 320 HG LEU A 20 1.891 -1.872 1.927 1.00 0.23 H ATOM 321 HD11 LEU A 20 0.850 -2.898 -0.194 1.00 1.02 H ATOM 322 HD12 LEU A 20 -0.092 -1.411 -0.300 1.00 1.06 H ATOM 323 HD13 LEU A 20 1.669 -1.347 -0.374 1.00 1.06 H ATOM 324 HD21 LEU A 20 -0.443 -0.353 2.607 1.00 0.97 H ATOM 325 HD22 LEU A 20 1.230 0.195 2.524 1.00 1.06 H ATOM 326 HD23 LEU A 20 0.204 0.280 1.089 1.00 0.99 H ATOM 327 N LYS A 21 -0.794 -4.716 4.530 1.00 0.16 N ATOM 328 CA LYS A 21 -1.760 -5.680 5.122 1.00 0.16 C ATOM 329 C LYS A 21 -2.011 -5.324 6.586 1.00 0.17 C ATOM 330 O LYS A 21 -3.123 -5.365 7.059 1.00 0.19 O ATOM 331 CB LYS A 21 -1.173 -7.088 5.035 1.00 0.17 C ATOM 332 CG LYS A 21 -2.174 -8.100 5.593 1.00 0.29 C ATOM 333 CD LYS A 21 -1.414 -9.229 6.292 1.00 0.68 C ATOM 334 CE LYS A 21 -2.407 -10.255 6.837 1.00 1.26 C ATOM 335 NZ LYS A 21 -1.733 -11.101 7.860 1.00 1.94 N ATOM 336 H LYS A 21 0.084 -5.017 4.262 1.00 0.19 H ATOM 337 HA LYS A 21 -2.690 -5.643 4.575 1.00 0.18 H ATOM 338 HB2 LYS A 21 -0.957 -7.322 4.005 1.00 0.22 H ATOM 339 HB3 LYS A 21 -0.261 -7.131 5.612 1.00 0.24 H ATOM 340 HG2 LYS A 21 -2.827 -7.610 6.300 1.00 0.72 H ATOM 341 HG3 LYS A 21 -2.760 -8.510 4.784 1.00 0.65 H ATOM 342 HD2 LYS A 21 -0.753 -9.708 5.583 1.00 1.27 H ATOM 343 HD3 LYS A 21 -0.834 -8.823 7.107 1.00 1.44 H ATOM 344 HE2 LYS A 21 -3.244 -9.744 7.288 1.00 1.85 H ATOM 345 HE3 LYS A 21 -2.759 -10.880 6.029 1.00 1.79 H ATOM 346 HZ1 LYS A 21 -1.098 -10.512 8.434 1.00 2.47 H ATOM 347 HZ2 LYS A 21 -2.450 -11.541 8.472 1.00 2.37 H ATOM 348 HZ3 LYS A 21 -1.180 -11.843 7.387 1.00 2.30 H ATOM 349 N LYS A 22 -0.991 -4.980 7.317 1.00 0.18 N ATOM 350 CA LYS A 22 -1.204 -4.631 8.741 1.00 0.20 C ATOM 351 C LYS A 22 -2.006 -3.335 8.817 1.00 0.23 C ATOM 352 O LYS A 22 -3.074 -3.277 9.390 1.00 0.29 O ATOM 353 CB LYS A 22 0.142 -4.442 9.432 1.00 0.22 C ATOM 354 CG LYS A 22 0.148 -5.278 10.717 1.00 0.83 C ATOM 355 CD LYS A 22 1.553 -5.339 11.302 1.00 1.43 C ATOM 356 CE LYS A 22 1.494 -6.033 12.671 1.00 2.18 C ATOM 357 NZ LYS A 22 2.827 -6.602 13.001 1.00 2.84 N ATOM 358 H LYS A 22 -0.095 -4.952 6.936 1.00 0.18 H ATOM 359 HA LYS A 22 -1.748 -5.423 9.220 1.00 0.22 H ATOM 360 HB2 LYS A 22 0.934 -4.768 8.773 1.00 0.68 H ATOM 361 HB3 LYS A 22 0.280 -3.398 9.674 1.00 0.64 H ATOM 362 HG2 LYS A 22 -0.521 -4.833 11.441 1.00 1.59 H ATOM 363 HG3 LYS A 22 -0.184 -6.279 10.493 1.00 1.50 H ATOM 364 HD2 LYS A 22 2.192 -5.897 10.635 1.00 1.98 H ATOM 365 HD3 LYS A 22 1.939 -4.336 11.421 1.00 2.00 H ATOM 366 HE2 LYS A 22 1.213 -5.318 13.432 1.00 2.61 H ATOM 367 HE3 LYS A 22 0.765 -6.828 12.640 1.00 2.68 H ATOM 368 HZ1 LYS A 22 3.561 -5.886 12.835 1.00 3.14 H ATOM 369 HZ2 LYS A 22 2.841 -6.890 14.002 1.00 3.13 H ATOM 370 HZ3 LYS A 22 3.008 -7.429 12.400 1.00 3.35 H ATOM 371 N GLU A 23 -1.495 -2.303 8.219 1.00 0.22 N ATOM 372 CA GLU A 23 -2.195 -1.004 8.212 1.00 0.26 C ATOM 373 C GLU A 23 -3.621 -1.224 7.716 1.00 0.24 C ATOM 374 O GLU A 23 -4.587 -1.066 8.436 1.00 0.27 O ATOM 375 CB GLU A 23 -1.450 -0.080 7.250 1.00 0.29 C ATOM 376 CG GLU A 23 -0.006 0.098 7.725 1.00 0.35 C ATOM 377 CD GLU A 23 0.032 1.057 8.914 1.00 1.53 C ATOM 378 OE1 GLU A 23 -1.026 1.364 9.438 1.00 2.29 O ATOM 379 OE2 GLU A 23 1.120 1.471 9.280 1.00 2.27 O ATOM 380 H GLU A 23 -0.646 -2.387 7.757 1.00 0.21 H ATOM 381 HA GLU A 23 -2.200 -0.582 9.202 1.00 0.29 H ATOM 382 HB2 GLU A 23 -1.447 -0.527 6.261 1.00 0.29 H ATOM 383 HB3 GLU A 23 -1.940 0.879 7.216 1.00 0.29 H ATOM 384 HG2 GLU A 23 0.394 -0.860 8.022 1.00 0.86 H ATOM 385 HG3 GLU A 23 0.588 0.501 6.920 1.00 0.89 H ATOM 386 N LEU A 24 -3.737 -1.599 6.480 1.00 0.23 N ATOM 387 CA LEU A 24 -5.066 -1.859 5.871 1.00 0.23 C ATOM 388 C LEU A 24 -5.767 -2.996 6.618 1.00 0.22 C ATOM 389 O LEU A 24 -6.953 -3.209 6.467 1.00 0.24 O ATOM 390 CB LEU A 24 -4.848 -2.277 4.418 1.00 0.21 C ATOM 391 CG LEU A 24 -4.150 -1.150 3.658 1.00 0.25 C ATOM 392 CD1 LEU A 24 -3.120 -1.750 2.701 1.00 0.20 C ATOM 393 CD2 LEU A 24 -5.184 -0.352 2.862 1.00 0.40 C ATOM 394 H LEU A 24 -2.935 -1.716 5.942 1.00 0.24 H ATOM 395 HA LEU A 24 -5.669 -0.966 5.907 1.00 0.26 H ATOM 396 HB2 LEU A 24 -4.224 -3.163 4.392 1.00 0.19 H ATOM 397 HB3 LEU A 24 -5.799 -2.490 3.955 1.00 0.22 H ATOM 398 HG LEU A 24 -3.651 -0.499 4.362 1.00 0.33 H ATOM 399 HD11 LEU A 24 -3.097 -2.822 2.826 1.00 1.06 H ATOM 400 HD12 LEU A 24 -3.391 -1.514 1.684 1.00 1.01 H ATOM 401 HD13 LEU A 24 -2.144 -1.341 2.922 1.00 1.04 H ATOM 402 HD21 LEU A 24 -5.924 0.053 3.538 1.00 1.08 H ATOM 403 HD22 LEU A 24 -4.692 0.457 2.342 1.00 1.14 H ATOM 404 HD23 LEU A 24 -5.666 -1.000 2.146 1.00 1.09 H ATOM 405 N ALA A 25 -5.043 -3.736 7.416 1.00 0.21 N ATOM 406 CA ALA A 25 -5.667 -4.860 8.158 1.00 0.22 C ATOM 407 C ALA A 25 -6.369 -5.796 7.170 1.00 0.21 C ATOM 408 O ALA A 25 -7.501 -6.191 7.366 1.00 0.23 O ATOM 409 CB ALA A 25 -6.670 -4.292 9.152 1.00 0.26 C ATOM 410 H ALA A 25 -4.088 -3.557 7.525 1.00 0.22 H ATOM 411 HA ALA A 25 -4.904 -5.408 8.688 1.00 0.23 H ATOM 412 HB1 ALA A 25 -6.275 -3.373 9.558 1.00 1.01 H ATOM 413 HB2 ALA A 25 -7.603 -4.092 8.649 1.00 1.00 H ATOM 414 HB3 ALA A 25 -6.831 -5.002 9.949 1.00 0.98 H ATOM 415 N LEU A 26 -5.693 -6.152 6.112 1.00 0.21 N ATOM 416 CA LEU A 26 -6.293 -7.062 5.095 1.00 0.24 C ATOM 417 C LEU A 26 -6.438 -8.468 5.690 1.00 0.28 C ATOM 418 O LEU A 26 -5.795 -8.792 6.669 1.00 0.30 O ATOM 419 CB LEU A 26 -5.371 -7.117 3.872 1.00 0.23 C ATOM 420 CG LEU A 26 -4.954 -5.697 3.483 1.00 0.21 C ATOM 421 CD1 LEU A 26 -3.954 -5.751 2.337 1.00 0.26 C ATOM 422 CD2 LEU A 26 -6.187 -4.909 3.043 1.00 0.23 C ATOM 423 H LEU A 26 -4.782 -5.822 5.985 1.00 0.22 H ATOM 424 HA LEU A 26 -7.262 -6.690 4.802 1.00 0.29 H ATOM 425 HB2 LEU A 26 -4.492 -7.697 4.111 1.00 0.25 H ATOM 426 HB3 LEU A 26 -5.889 -7.574 3.046 1.00 0.26 H ATOM 427 HG LEU A 26 -4.491 -5.214 4.323 1.00 0.21 H ATOM 428 HD11 LEU A 26 -4.013 -6.711 1.862 1.00 0.99 H ATOM 429 HD12 LEU A 26 -4.183 -4.977 1.621 1.00 1.07 H ATOM 430 HD13 LEU A 26 -2.958 -5.601 2.726 1.00 1.03 H ATOM 431 HD21 LEU A 26 -6.656 -5.412 2.210 1.00 1.05 H ATOM 432 HD22 LEU A 26 -6.885 -4.845 3.865 1.00 0.98 H ATOM 433 HD23 LEU A 26 -5.891 -3.914 2.744 1.00 1.09 H ATOM 434 N PRO A 27 -7.280 -9.262 5.077 1.00 0.34 N ATOM 435 CA PRO A 27 -7.526 -10.643 5.529 1.00 0.41 C ATOM 436 C PRO A 27 -6.221 -11.438 5.555 1.00 0.39 C ATOM 437 O PRO A 27 -5.165 -10.932 5.233 1.00 0.31 O ATOM 438 CB PRO A 27 -8.489 -11.230 4.490 1.00 0.48 C ATOM 439 CG PRO A 27 -8.880 -10.091 3.514 1.00 0.48 C ATOM 440 CD PRO A 27 -8.054 -8.852 3.890 1.00 0.38 C ATOM 441 HA PRO A 27 -7.991 -10.646 6.502 1.00 0.48 H ATOM 442 HB2 PRO A 27 -7.999 -12.028 3.948 1.00 0.46 H ATOM 443 HB3 PRO A 27 -9.371 -11.607 4.977 1.00 0.57 H ATOM 444 HG2 PRO A 27 -8.658 -10.387 2.499 1.00 0.49 H ATOM 445 HG3 PRO A 27 -9.931 -9.869 3.611 1.00 0.57 H ATOM 446 HD2 PRO A 27 -7.393 -8.587 3.079 1.00 0.35 H ATOM 447 HD3 PRO A 27 -8.702 -8.026 4.136 1.00 0.41 H ATOM 448 N GLU A 28 -6.289 -12.685 5.931 1.00 0.50 N ATOM 449 CA GLU A 28 -5.058 -13.519 5.972 1.00 0.53 C ATOM 450 C GLU A 28 -4.729 -13.997 4.558 1.00 0.49 C ATOM 451 O GLU A 28 -3.622 -14.407 4.273 1.00 0.51 O ATOM 452 CB GLU A 28 -5.295 -14.732 6.871 1.00 0.67 C ATOM 453 CG GLU A 28 -5.557 -14.268 8.305 1.00 1.14 C ATOM 454 CD GLU A 28 -5.237 -15.405 9.276 1.00 1.65 C ATOM 455 OE1 GLU A 28 -4.380 -16.210 8.953 1.00 2.31 O ATOM 456 OE2 GLU A 28 -5.856 -15.452 10.327 1.00 2.20 O ATOM 457 H GLU A 28 -7.153 -13.074 6.182 1.00 0.59 H ATOM 458 HA GLU A 28 -4.237 -12.935 6.359 1.00 0.52 H ATOM 459 HB2 GLU A 28 -6.151 -15.284 6.509 1.00 0.81 H ATOM 460 HB3 GLU A 28 -4.423 -15.368 6.854 1.00 0.84 H ATOM 461 HG2 GLU A 28 -4.931 -13.416 8.527 1.00 1.61 H ATOM 462 HG3 GLU A 28 -6.595 -13.989 8.410 1.00 1.59 H ATOM 463 N TYR A 29 -5.686 -13.952 3.671 1.00 0.47 N ATOM 464 CA TYR A 29 -5.426 -14.409 2.279 1.00 0.44 C ATOM 465 C TYR A 29 -5.020 -13.218 1.409 1.00 0.37 C ATOM 466 O TYR A 29 -4.999 -13.312 0.198 1.00 0.38 O ATOM 467 CB TYR A 29 -6.686 -15.061 1.704 1.00 0.51 C ATOM 468 CG TYR A 29 -7.900 -14.250 2.087 1.00 0.66 C ATOM 469 CD1 TYR A 29 -8.300 -13.171 1.290 1.00 1.29 C ATOM 470 CD2 TYR A 29 -8.627 -14.579 3.237 1.00 1.53 C ATOM 471 CE1 TYR A 29 -9.428 -12.421 1.643 1.00 1.43 C ATOM 472 CE2 TYR A 29 -9.756 -13.829 3.590 1.00 1.75 C ATOM 473 CZ TYR A 29 -10.156 -12.750 2.793 1.00 1.24 C ATOM 474 OH TYR A 29 -11.268 -12.011 3.140 1.00 1.57 O ATOM 475 H TYR A 29 -6.574 -13.622 3.922 1.00 0.50 H ATOM 476 HA TYR A 29 -4.624 -15.133 2.287 1.00 0.48 H ATOM 477 HB2 TYR A 29 -6.608 -15.105 0.628 1.00 0.54 H ATOM 478 HB3 TYR A 29 -6.785 -16.061 2.099 1.00 0.66 H ATOM 479 HD1 TYR A 29 -7.739 -12.917 0.403 1.00 2.09 H ATOM 480 HD2 TYR A 29 -8.318 -15.411 3.852 1.00 2.30 H ATOM 481 HE1 TYR A 29 -9.737 -11.588 1.029 1.00 2.19 H ATOM 482 HE2 TYR A 29 -10.317 -14.083 4.476 1.00 2.61 H ATOM 483 HH TYR A 29 -11.944 -12.619 3.447 1.00 1.71 H ATOM 484 N TYR A 30 -4.694 -12.103 2.017 1.00 0.32 N ATOM 485 CA TYR A 30 -4.275 -10.903 1.222 1.00 0.28 C ATOM 486 C TYR A 30 -3.419 -11.366 0.035 1.00 0.32 C ATOM 487 O TYR A 30 -2.281 -11.759 0.193 1.00 0.38 O ATOM 488 CB TYR A 30 -3.462 -9.958 2.121 1.00 0.29 C ATOM 489 CG TYR A 30 -3.006 -8.741 1.339 1.00 0.20 C ATOM 490 CD1 TYR A 30 -3.750 -8.286 0.243 1.00 0.47 C ATOM 491 CD2 TYR A 30 -1.832 -8.068 1.715 1.00 0.48 C ATOM 492 CE1 TYR A 30 -3.319 -7.163 -0.477 1.00 0.49 C ATOM 493 CE2 TYR A 30 -1.400 -6.943 0.995 1.00 0.49 C ATOM 494 CZ TYR A 30 -2.145 -6.493 -0.102 1.00 0.25 C ATOM 495 OH TYR A 30 -1.724 -5.388 -0.814 1.00 0.36 O ATOM 496 H TYR A 30 -4.721 -12.056 2.998 1.00 0.33 H ATOM 497 HA TYR A 30 -5.152 -10.390 0.855 1.00 0.31 H ATOM 498 HB2 TYR A 30 -4.075 -9.639 2.950 1.00 0.37 H ATOM 499 HB3 TYR A 30 -2.597 -10.483 2.499 1.00 0.37 H ATOM 500 HD1 TYR A 30 -4.655 -8.797 -0.044 1.00 0.80 H ATOM 501 HD2 TYR A 30 -1.267 -8.413 2.564 1.00 0.81 H ATOM 502 HE1 TYR A 30 -3.892 -6.812 -1.322 1.00 0.82 H ATOM 503 HE2 TYR A 30 -0.484 -6.425 1.282 1.00 0.82 H ATOM 504 HH TYR A 30 -0.976 -5.004 -0.351 1.00 0.86 H ATOM 505 N GLY A 31 -3.974 -11.339 -1.151 1.00 0.39 N ATOM 506 CA GLY A 31 -3.215 -11.796 -2.357 1.00 0.51 C ATOM 507 C GLY A 31 -2.004 -10.892 -2.611 1.00 0.58 C ATOM 508 O GLY A 31 -1.214 -11.146 -3.495 1.00 1.36 O ATOM 509 H GLY A 31 -4.899 -11.032 -1.247 1.00 0.42 H ATOM 510 HA2 GLY A 31 -2.876 -12.809 -2.201 1.00 0.59 H ATOM 511 HA3 GLY A 31 -3.865 -11.766 -3.219 1.00 0.55 H ATOM 512 N GLU A 32 -1.870 -9.835 -1.853 1.00 0.56 N ATOM 513 CA GLU A 32 -0.726 -8.877 -2.011 1.00 0.54 C ATOM 514 C GLU A 32 -0.533 -8.420 -3.470 1.00 0.54 C ATOM 515 O GLU A 32 0.377 -7.671 -3.760 1.00 0.59 O ATOM 516 CB GLU A 32 0.582 -9.491 -1.474 1.00 0.66 C ATOM 517 CG GLU A 32 0.741 -10.947 -1.915 1.00 1.51 C ATOM 518 CD GLU A 32 2.052 -11.506 -1.358 1.00 1.87 C ATOM 519 OE1 GLU A 32 3.044 -10.799 -1.410 1.00 2.36 O ATOM 520 OE2 GLU A 32 2.040 -12.632 -0.890 1.00 2.37 O ATOM 521 H GLU A 32 -2.537 -9.659 -1.164 1.00 1.17 H ATOM 522 HA GLU A 32 -0.948 -8.001 -1.421 1.00 0.51 H ATOM 523 HB2 GLU A 32 1.419 -8.921 -1.845 1.00 1.18 H ATOM 524 HB3 GLU A 32 0.576 -9.447 -0.394 1.00 1.10 H ATOM 525 HG2 GLU A 32 -0.084 -11.532 -1.539 1.00 2.15 H ATOM 526 HG3 GLU A 32 0.764 -10.998 -2.992 1.00 2.09 H ATOM 527 N ASN A 33 -1.373 -8.817 -4.389 1.00 0.51 N ATOM 528 CA ASN A 33 -1.203 -8.335 -5.792 1.00 0.53 C ATOM 529 C ASN A 33 -1.891 -6.977 -5.927 1.00 0.50 C ATOM 530 O ASN A 33 -2.423 -6.444 -4.974 1.00 0.56 O ATOM 531 CB ASN A 33 -1.811 -9.321 -6.806 1.00 0.54 C ATOM 532 CG ASN A 33 -2.420 -10.533 -6.096 1.00 0.62 C ATOM 533 OD1 ASN A 33 -1.721 -11.465 -5.752 1.00 1.57 O ATOM 534 ND2 ASN A 33 -3.703 -10.559 -5.864 1.00 0.82 N ATOM 535 H ASN A 33 -2.127 -9.384 -4.159 1.00 0.49 H ATOM 536 HA ASN A 33 -0.148 -8.216 -5.997 1.00 0.59 H ATOM 537 HB2 ASN A 33 -2.581 -8.817 -7.372 1.00 0.60 H ATOM 538 HB3 ASN A 33 -1.037 -9.657 -7.481 1.00 0.62 H ATOM 539 HD21 ASN A 33 -4.267 -9.808 -6.143 1.00 1.60 H ATOM 540 HD22 ASN A 33 -4.104 -11.330 -5.410 1.00 0.77 H ATOM 541 N LEU A 34 -1.918 -6.429 -7.107 1.00 0.48 N ATOM 542 CA LEU A 34 -2.609 -5.125 -7.305 1.00 0.47 C ATOM 543 C LEU A 34 -4.108 -5.392 -7.331 1.00 0.40 C ATOM 544 O LEU A 34 -4.911 -4.621 -6.852 1.00 0.37 O ATOM 545 CB LEU A 34 -2.204 -4.539 -8.650 1.00 0.55 C ATOM 546 CG LEU A 34 -0.749 -4.072 -8.606 1.00 0.64 C ATOM 547 CD1 LEU A 34 -0.358 -3.503 -9.971 1.00 0.82 C ATOM 548 CD2 LEU A 34 -0.590 -2.986 -7.539 1.00 0.61 C ATOM 549 H LEU A 34 -1.505 -6.886 -7.869 1.00 0.52 H ATOM 550 HA LEU A 34 -2.362 -4.443 -6.507 1.00 0.48 H ATOM 551 HB2 LEU A 34 -2.317 -5.300 -9.409 1.00 0.62 H ATOM 552 HB3 LEU A 34 -2.846 -3.706 -8.881 1.00 0.52 H ATOM 553 HG LEU A 34 -0.109 -4.909 -8.369 1.00 0.72 H ATOM 554 HD11 LEU A 34 -1.059 -3.846 -10.718 1.00 1.23 H ATOM 555 HD12 LEU A 34 -0.375 -2.424 -9.930 1.00 1.45 H ATOM 556 HD13 LEU A 34 0.636 -3.838 -10.229 1.00 1.32 H ATOM 557 HD21 LEU A 34 -1.519 -2.868 -7.003 1.00 1.16 H ATOM 558 HD22 LEU A 34 0.191 -3.271 -6.850 1.00 1.14 H ATOM 559 HD23 LEU A 34 -0.328 -2.052 -8.014 1.00 1.19 H ATOM 560 N ASP A 35 -4.469 -6.494 -7.911 1.00 0.39 N ATOM 561 CA ASP A 35 -5.897 -6.886 -8.018 1.00 0.36 C ATOM 562 C ASP A 35 -6.467 -7.173 -6.632 1.00 0.30 C ATOM 563 O ASP A 35 -7.614 -6.894 -6.351 1.00 0.28 O ATOM 564 CB ASP A 35 -5.975 -8.167 -8.833 1.00 0.38 C ATOM 565 CG ASP A 35 -5.683 -7.865 -10.303 1.00 0.43 C ATOM 566 OD1 ASP A 35 -6.344 -7.000 -10.853 1.00 1.24 O ATOM 567 OD2 ASP A 35 -4.803 -8.506 -10.856 1.00 1.06 O ATOM 568 H ASP A 35 -3.784 -7.073 -8.292 1.00 0.43 H ATOM 569 HA ASP A 35 -6.465 -6.108 -8.502 1.00 0.39 H ATOM 570 HB2 ASP A 35 -5.242 -8.865 -8.451 1.00 0.37 H ATOM 571 HB3 ASP A 35 -6.958 -8.593 -8.738 1.00 0.38 H ATOM 572 N ALA A 36 -5.676 -7.742 -5.769 1.00 0.29 N ATOM 573 CA ALA A 36 -6.180 -8.058 -4.401 1.00 0.25 C ATOM 574 C ALA A 36 -6.124 -6.799 -3.563 1.00 0.22 C ATOM 575 O ALA A 36 -7.111 -6.353 -3.016 1.00 0.22 O ATOM 576 CB ALA A 36 -5.310 -9.125 -3.749 1.00 0.29 C ATOM 577 H ALA A 36 -4.751 -7.958 -6.021 1.00 0.32 H ATOM 578 HA ALA A 36 -7.199 -8.406 -4.462 1.00 0.25 H ATOM 579 HB1 ALA A 36 -4.269 -8.876 -3.891 1.00 1.08 H ATOM 580 HB2 ALA A 36 -5.531 -9.163 -2.692 1.00 1.02 H ATOM 581 HB3 ALA A 36 -5.518 -10.085 -4.196 1.00 1.06 H ATOM 582 N LEU A 37 -4.967 -6.217 -3.477 1.00 0.21 N ATOM 583 CA LEU A 37 -4.820 -4.966 -2.697 1.00 0.19 C ATOM 584 C LEU A 37 -5.987 -4.058 -3.064 1.00 0.16 C ATOM 585 O LEU A 37 -6.706 -3.539 -2.224 1.00 0.16 O ATOM 586 CB LEU A 37 -3.502 -4.299 -3.095 1.00 0.21 C ATOM 587 CG LEU A 37 -3.539 -2.815 -2.724 1.00 0.20 C ATOM 588 CD1 LEU A 37 -3.557 -2.667 -1.201 1.00 0.22 C ATOM 589 CD2 LEU A 37 -2.302 -2.115 -3.290 1.00 0.24 C ATOM 590 H LEU A 37 -4.197 -6.598 -3.946 1.00 0.23 H ATOM 591 HA LEU A 37 -4.826 -5.183 -1.642 1.00 0.19 H ATOM 592 HB2 LEU A 37 -2.687 -4.787 -2.585 1.00 0.24 H ATOM 593 HB3 LEU A 37 -3.363 -4.395 -4.161 1.00 0.22 H ATOM 594 HG LEU A 37 -4.433 -2.369 -3.142 1.00 0.18 H ATOM 595 HD11 LEU A 37 -3.210 -3.582 -0.746 1.00 1.05 H ATOM 596 HD12 LEU A 37 -2.909 -1.852 -0.912 1.00 1.03 H ATOM 597 HD13 LEU A 37 -4.564 -2.460 -0.872 1.00 1.02 H ATOM 598 HD21 LEU A 37 -1.501 -2.832 -3.401 1.00 1.02 H ATOM 599 HD22 LEU A 37 -2.539 -1.689 -4.254 1.00 1.04 H ATOM 600 HD23 LEU A 37 -1.992 -1.330 -2.616 1.00 1.04 H ATOM 601 N TRP A 38 -6.173 -3.884 -4.333 1.00 0.17 N ATOM 602 CA TRP A 38 -7.277 -3.046 -4.821 1.00 0.16 C ATOM 603 C TRP A 38 -8.577 -3.613 -4.303 1.00 0.16 C ATOM 604 O TRP A 38 -9.345 -2.951 -3.643 1.00 0.16 O ATOM 605 CB TRP A 38 -7.315 -3.093 -6.341 1.00 0.18 C ATOM 606 CG TRP A 38 -8.456 -2.267 -6.801 1.00 0.18 C ATOM 607 CD1 TRP A 38 -9.708 -2.718 -6.963 1.00 0.21 C ATOM 608 CD2 TRP A 38 -8.476 -0.860 -7.128 1.00 0.18 C ATOM 609 NE1 TRP A 38 -10.508 -1.672 -7.389 1.00 0.23 N ATOM 610 CE2 TRP A 38 -9.785 -0.502 -7.508 1.00 0.20 C ATOM 611 CE3 TRP A 38 -7.487 0.125 -7.138 1.00 0.17 C ATOM 612 CZ2 TRP A 38 -10.099 0.802 -7.885 1.00 0.22 C ATOM 613 CZ3 TRP A 38 -7.785 1.430 -7.507 1.00 0.19 C ATOM 614 CH2 TRP A 38 -9.093 1.778 -7.885 1.00 0.20 C ATOM 615 H TRP A 38 -5.584 -4.321 -4.971 1.00 0.19 H ATOM 616 HA TRP A 38 -7.151 -2.041 -4.479 1.00 0.15 H ATOM 617 HB2 TRP A 38 -6.396 -2.715 -6.747 1.00 0.19 H ATOM 618 HB3 TRP A 38 -7.458 -4.113 -6.665 1.00 0.20 H ATOM 619 HD1 TRP A 38 -10.026 -3.729 -6.788 1.00 0.23 H ATOM 620 HE1 TRP A 38 -11.467 -1.733 -7.585 1.00 0.26 H ATOM 621 HE3 TRP A 38 -6.487 -0.125 -6.858 1.00 0.18 H ATOM 622 HZ2 TRP A 38 -11.106 1.051 -8.177 1.00 0.25 H ATOM 623 HZ3 TRP A 38 -7.000 2.167 -7.492 1.00 0.20 H ATOM 624 HH2 TRP A 38 -9.322 2.794 -8.171 1.00 0.22 H ATOM 625 N ASP A 39 -8.815 -4.850 -4.599 1.00 0.17 N ATOM 626 CA ASP A 39 -10.061 -5.500 -4.130 1.00 0.18 C ATOM 627 C ASP A 39 -10.283 -5.117 -2.672 1.00 0.18 C ATOM 628 O ASP A 39 -11.394 -5.091 -2.182 1.00 0.21 O ATOM 629 CB ASP A 39 -9.927 -7.017 -4.254 1.00 0.21 C ATOM 630 CG ASP A 39 -10.613 -7.488 -5.537 1.00 0.29 C ATOM 631 OD1 ASP A 39 -10.045 -7.286 -6.598 1.00 1.13 O ATOM 632 OD2 ASP A 39 -11.695 -8.044 -5.438 1.00 1.06 O ATOM 633 H ASP A 39 -8.163 -5.351 -5.126 1.00 0.18 H ATOM 634 HA ASP A 39 -10.891 -5.158 -4.728 1.00 0.20 H ATOM 635 HB2 ASP A 39 -8.881 -7.285 -4.283 1.00 0.26 H ATOM 636 HB3 ASP A 39 -10.396 -7.486 -3.406 1.00 0.25 H ATOM 637 N CYS A 40 -9.222 -4.807 -1.977 1.00 0.17 N ATOM 638 CA CYS A 40 -9.354 -4.412 -0.556 1.00 0.19 C ATOM 639 C CYS A 40 -9.797 -2.948 -0.466 1.00 0.19 C ATOM 640 O CYS A 40 -10.745 -2.623 0.218 1.00 0.23 O ATOM 641 CB CYS A 40 -8.001 -4.580 0.132 1.00 0.21 C ATOM 642 SG CYS A 40 -7.334 -6.221 -0.239 1.00 0.58 S ATOM 643 H CYS A 40 -8.332 -4.832 -2.394 1.00 0.16 H ATOM 644 HA CYS A 40 -10.085 -5.042 -0.071 1.00 0.22 H ATOM 645 HB2 CYS A 40 -7.318 -3.823 -0.226 1.00 0.36 H ATOM 646 HB3 CYS A 40 -8.126 -4.475 1.195 1.00 0.32 H ATOM 647 HG CYS A 40 -7.716 -6.844 0.383 1.00 1.07 H ATOM 648 N LEU A 41 -9.117 -2.057 -1.142 1.00 0.17 N ATOM 649 CA LEU A 41 -9.497 -0.625 -1.076 1.00 0.18 C ATOM 650 C LEU A 41 -10.943 -0.424 -1.548 1.00 0.21 C ATOM 651 O LEU A 41 -11.729 0.247 -0.908 1.00 0.45 O ATOM 652 CB LEU A 41 -8.562 0.173 -1.981 1.00 0.17 C ATOM 653 CG LEU A 41 -7.117 -0.285 -1.776 1.00 0.19 C ATOM 654 CD1 LEU A 41 -6.189 0.625 -2.567 1.00 0.18 C ATOM 655 CD2 LEU A 41 -6.760 -0.219 -0.289 1.00 0.31 C ATOM 656 H LEU A 41 -8.350 -2.323 -1.688 1.00 0.16 H ATOM 657 HA LEU A 41 -9.394 -0.278 -0.063 1.00 0.20 H ATOM 658 HB2 LEU A 41 -8.845 0.016 -3.011 1.00 0.18 H ATOM 659 HB3 LEU A 41 -8.641 1.221 -1.742 1.00 0.18 H ATOM 660 HG LEU A 41 -6.999 -1.295 -2.133 1.00 0.27 H ATOM 661 HD11 LEU A 41 -6.767 1.412 -3.025 1.00 1.02 H ATOM 662 HD12 LEU A 41 -5.453 1.053 -1.904 1.00 1.02 H ATOM 663 HD13 LEU A 41 -5.695 0.046 -3.333 1.00 1.04 H ATOM 664 HD21 LEU A 41 -7.576 0.229 0.257 1.00 1.07 H ATOM 665 HD22 LEU A 41 -6.585 -1.218 0.083 1.00 1.04 H ATOM 666 HD23 LEU A 41 -5.869 0.376 -0.159 1.00 1.05 H ATOM 667 N THR A 42 -11.284 -0.971 -2.679 1.00 0.26 N ATOM 668 CA THR A 42 -12.650 -0.794 -3.226 1.00 0.28 C ATOM 669 C THR A 42 -13.665 -1.664 -2.479 1.00 0.32 C ATOM 670 O THR A 42 -14.826 -1.704 -2.836 1.00 0.55 O ATOM 671 CB THR A 42 -12.649 -1.174 -4.708 1.00 0.26 C ATOM 672 OG1 THR A 42 -11.870 -2.347 -4.894 1.00 0.29 O ATOM 673 CG2 THR A 42 -12.054 -0.026 -5.525 1.00 0.40 C ATOM 674 H THR A 42 -10.634 -1.478 -3.183 1.00 0.45 H ATOM 675 HA THR A 42 -12.926 0.237 -3.135 1.00 0.36 H ATOM 676 HB THR A 42 -13.661 -1.357 -5.035 1.00 0.29 H ATOM 677 HG1 THR A 42 -12.408 -2.989 -5.363 1.00 0.88 H ATOM 678 HG21 THR A 42 -12.646 0.865 -5.377 1.00 1.17 H ATOM 679 HG22 THR A 42 -11.040 0.158 -5.202 1.00 1.08 H ATOM 680 HG23 THR A 42 -12.056 -0.290 -6.572 1.00 1.02 H ATOM 681 N GLY A 43 -13.262 -2.363 -1.452 1.00 0.27 N ATOM 682 CA GLY A 43 -14.258 -3.210 -0.729 1.00 0.31 C ATOM 683 C GLY A 43 -13.627 -3.900 0.484 1.00 0.27 C ATOM 684 O GLY A 43 -13.610 -5.112 0.574 1.00 0.32 O ATOM 685 H GLY A 43 -12.322 -2.332 -1.164 1.00 0.37 H ATOM 686 HA2 GLY A 43 -15.075 -2.588 -0.396 1.00 0.39 H ATOM 687 HA3 GLY A 43 -14.638 -3.963 -1.404 1.00 0.37 H ATOM 688 N TRP A 44 -13.125 -3.148 1.425 1.00 0.25 N ATOM 689 CA TRP A 44 -12.519 -3.775 2.630 1.00 0.23 C ATOM 690 C TRP A 44 -11.944 -2.689 3.540 1.00 0.23 C ATOM 691 O TRP A 44 -12.415 -2.466 4.637 1.00 0.27 O ATOM 692 CB TRP A 44 -11.402 -4.721 2.201 1.00 0.24 C ATOM 693 CG TRP A 44 -10.808 -5.362 3.411 1.00 0.26 C ATOM 694 CD1 TRP A 44 -9.735 -4.894 4.085 1.00 0.27 C ATOM 695 CD2 TRP A 44 -11.233 -6.571 4.106 1.00 0.30 C ATOM 696 NE1 TRP A 44 -9.470 -5.739 5.146 1.00 0.31 N ATOM 697 CE2 TRP A 44 -10.366 -6.788 5.202 1.00 0.34 C ATOM 698 CE3 TRP A 44 -12.274 -7.493 3.891 1.00 0.35 C ATOM 699 CZ2 TRP A 44 -10.527 -7.879 6.058 1.00 0.41 C ATOM 700 CZ3 TRP A 44 -12.439 -8.592 4.750 1.00 0.43 C ATOM 701 CH2 TRP A 44 -11.567 -8.785 5.831 1.00 0.45 C ATOM 702 H TRP A 44 -13.153 -2.176 1.345 1.00 0.29 H ATOM 703 HA TRP A 44 -13.275 -4.330 3.166 1.00 0.24 H ATOM 704 HB2 TRP A 44 -11.804 -5.478 1.549 1.00 0.26 H ATOM 705 HB3 TRP A 44 -10.639 -4.164 1.678 1.00 0.25 H ATOM 706 HD1 TRP A 44 -9.176 -4.005 3.832 1.00 0.29 H ATOM 707 HE1 TRP A 44 -8.741 -5.624 5.790 1.00 0.34 H ATOM 708 HE3 TRP A 44 -12.952 -7.353 3.062 1.00 0.34 H ATOM 709 HZ2 TRP A 44 -9.852 -8.022 6.888 1.00 0.44 H ATOM 710 HZ3 TRP A 44 -13.242 -9.293 4.577 1.00 0.48 H ATOM 711 HH2 TRP A 44 -11.698 -9.632 6.488 1.00 0.52 H ATOM 712 N VAL A 45 -10.925 -2.016 3.089 1.00 0.25 N ATOM 713 CA VAL A 45 -10.304 -0.949 3.912 1.00 0.26 C ATOM 714 C VAL A 45 -11.350 0.112 4.253 1.00 0.25 C ATOM 715 O VAL A 45 -12.264 0.362 3.493 1.00 0.37 O ATOM 716 CB VAL A 45 -9.165 -0.300 3.125 1.00 0.30 C ATOM 717 CG1 VAL A 45 -8.436 0.706 4.017 1.00 0.42 C ATOM 718 CG2 VAL A 45 -8.181 -1.377 2.661 1.00 0.28 C ATOM 719 H VAL A 45 -10.564 -2.217 2.209 1.00 0.30 H ATOM 720 HA VAL A 45 -9.915 -1.380 4.817 1.00 0.30 H ATOM 721 HB VAL A 45 -9.571 0.213 2.264 1.00 0.32 H ATOM 722 HG11 VAL A 45 -8.204 0.244 4.965 1.00 1.04 H ATOM 723 HG12 VAL A 45 -7.522 1.019 3.534 1.00 1.09 H ATOM 724 HG13 VAL A 45 -9.069 1.566 4.180 1.00 1.20 H ATOM 725 HG21 VAL A 45 -8.727 -2.205 2.234 1.00 1.04 H ATOM 726 HG22 VAL A 45 -7.519 -0.962 1.917 1.00 1.05 H ATOM 727 HG23 VAL A 45 -7.603 -1.724 3.505 1.00 1.06 H ATOM 728 N GLU A 46 -11.215 0.751 5.382 1.00 0.21 N ATOM 729 CA GLU A 46 -12.197 1.808 5.755 1.00 0.23 C ATOM 730 C GLU A 46 -11.566 3.177 5.505 1.00 0.22 C ATOM 731 O GLU A 46 -10.440 3.435 5.880 1.00 0.22 O ATOM 732 CB GLU A 46 -12.600 1.688 7.231 1.00 0.30 C ATOM 733 CG GLU A 46 -11.576 0.848 7.993 1.00 1.31 C ATOM 734 CD GLU A 46 -12.107 0.545 9.395 1.00 1.80 C ATOM 735 OE1 GLU A 46 -13.089 -0.173 9.493 1.00 2.43 O ATOM 736 OE2 GLU A 46 -11.524 1.036 10.347 1.00 2.28 O ATOM 737 H GLU A 46 -10.463 0.544 5.976 1.00 0.26 H ATOM 738 HA GLU A 46 -13.077 1.706 5.136 1.00 0.25 H ATOM 739 HB2 GLU A 46 -12.650 2.674 7.668 1.00 0.94 H ATOM 740 HB3 GLU A 46 -13.570 1.217 7.300 1.00 0.93 H ATOM 741 HG2 GLU A 46 -11.404 -0.077 7.463 1.00 1.86 H ATOM 742 HG3 GLU A 46 -10.651 1.397 8.071 1.00 1.97 H ATOM 743 N TYR A 47 -12.285 4.047 4.861 1.00 0.22 N ATOM 744 CA TYR A 47 -11.744 5.402 4.559 1.00 0.22 C ATOM 745 C TYR A 47 -12.564 6.446 5.329 1.00 0.26 C ATOM 746 O TYR A 47 -13.586 6.110 5.892 1.00 0.29 O ATOM 747 CB TYR A 47 -11.851 5.623 3.045 1.00 0.24 C ATOM 748 CG TYR A 47 -10.868 4.720 2.323 1.00 0.24 C ATOM 749 CD1 TYR A 47 -9.830 4.081 3.021 1.00 1.25 C ATOM 750 CD2 TYR A 47 -10.994 4.520 0.945 1.00 1.21 C ATOM 751 CE1 TYR A 47 -8.935 3.251 2.342 1.00 1.27 C ATOM 752 CE2 TYR A 47 -10.094 3.692 0.272 1.00 1.20 C ATOM 753 CZ TYR A 47 -9.067 3.058 0.970 1.00 0.29 C ATOM 754 OH TYR A 47 -8.181 2.239 0.301 1.00 0.34 O ATOM 755 H TYR A 47 -13.186 3.805 4.566 1.00 0.24 H ATOM 756 HA TYR A 47 -10.715 5.454 4.865 1.00 0.21 H ATOM 757 HB2 TYR A 47 -12.851 5.384 2.720 1.00 0.27 H ATOM 758 HB3 TYR A 47 -11.639 6.648 2.806 1.00 0.26 H ATOM 759 HD1 TYR A 47 -9.713 4.232 4.078 1.00 2.17 H ATOM 760 HD2 TYR A 47 -11.776 5.012 0.397 1.00 2.14 H ATOM 761 HE1 TYR A 47 -8.130 2.771 2.877 1.00 2.20 H ATOM 762 HE2 TYR A 47 -10.182 3.551 -0.798 1.00 2.11 H ATOM 763 HH TYR A 47 -7.325 2.299 0.736 1.00 0.80 H ATOM 764 N PRO A 48 -12.102 7.682 5.359 1.00 0.27 N ATOM 765 CA PRO A 48 -10.858 8.134 4.685 1.00 0.25 C ATOM 766 C PRO A 48 -9.620 7.409 5.219 1.00 0.22 C ATOM 767 O PRO A 48 -9.455 7.234 6.406 1.00 0.30 O ATOM 768 CB PRO A 48 -10.761 9.631 5.010 1.00 0.28 C ATOM 769 CG PRO A 48 -11.970 10.004 5.902 1.00 0.33 C ATOM 770 CD PRO A 48 -12.815 8.738 6.097 1.00 0.32 C ATOM 771 HA PRO A 48 -10.933 8.008 3.624 1.00 0.25 H ATOM 772 HB2 PRO A 48 -9.838 9.831 5.537 1.00 0.28 H ATOM 773 HB3 PRO A 48 -10.794 10.207 4.098 1.00 0.29 H ATOM 774 HG2 PRO A 48 -11.620 10.365 6.859 1.00 0.34 H ATOM 775 HG3 PRO A 48 -12.563 10.764 5.417 1.00 0.35 H ATOM 776 HD2 PRO A 48 -12.878 8.489 7.148 1.00 0.34 H ATOM 777 HD3 PRO A 48 -13.802 8.877 5.683 1.00 0.35 H ATOM 778 N LEU A 49 -8.744 7.000 4.338 1.00 0.20 N ATOM 779 CA LEU A 49 -7.502 6.298 4.775 1.00 0.19 C ATOM 780 C LEU A 49 -6.301 7.182 4.462 1.00 0.19 C ATOM 781 O LEU A 49 -6.335 7.998 3.567 1.00 0.20 O ATOM 782 CB LEU A 49 -7.362 4.977 3.994 1.00 0.18 C ATOM 783 CG LEU A 49 -5.885 4.560 3.861 1.00 0.17 C ATOM 784 CD1 LEU A 49 -5.350 4.066 5.209 1.00 0.20 C ATOM 785 CD2 LEU A 49 -5.759 3.447 2.816 1.00 0.16 C ATOM 786 H LEU A 49 -8.899 7.162 3.382 1.00 0.25 H ATOM 787 HA LEU A 49 -7.545 6.095 5.834 1.00 0.20 H ATOM 788 HB2 LEU A 49 -7.908 4.198 4.504 1.00 0.20 H ATOM 789 HB3 LEU A 49 -7.773 5.116 3.007 1.00 0.19 H ATOM 790 HG LEU A 49 -5.305 5.406 3.538 1.00 0.16 H ATOM 791 HD11 LEU A 49 -6.077 4.273 5.980 1.00 0.96 H ATOM 792 HD12 LEU A 49 -5.171 3.003 5.158 1.00 1.01 H ATOM 793 HD13 LEU A 49 -4.420 4.578 5.444 1.00 0.99 H ATOM 794 HD21 LEU A 49 -6.585 3.508 2.120 1.00 1.00 H ATOM 795 HD22 LEU A 49 -4.827 3.566 2.278 1.00 1.04 H ATOM 796 HD23 LEU A 49 -5.771 2.486 3.308 1.00 1.05 H ATOM 797 N VAL A 50 -5.222 6.985 5.157 1.00 0.21 N ATOM 798 CA VAL A 50 -4.003 7.770 4.857 1.00 0.22 C ATOM 799 C VAL A 50 -2.919 6.786 4.408 1.00 0.20 C ATOM 800 O VAL A 50 -2.748 5.736 4.987 1.00 0.21 O ATOM 801 CB VAL A 50 -3.555 8.555 6.114 1.00 0.26 C ATOM 802 CG1 VAL A 50 -2.135 8.158 6.542 1.00 0.26 C ATOM 803 CG2 VAL A 50 -3.567 10.051 5.802 1.00 0.29 C ATOM 804 H VAL A 50 -5.204 6.294 5.852 1.00 0.22 H ATOM 805 HA VAL A 50 -4.212 8.463 4.054 1.00 0.23 H ATOM 806 HB VAL A 50 -4.241 8.353 6.923 1.00 0.27 H ATOM 807 HG11 VAL A 50 -1.496 8.116 5.669 1.00 1.02 H ATOM 808 HG12 VAL A 50 -1.749 8.892 7.235 1.00 1.04 H ATOM 809 HG13 VAL A 50 -2.159 7.190 7.019 1.00 1.01 H ATOM 810 HG21 VAL A 50 -4.513 10.319 5.357 1.00 0.95 H ATOM 811 HG22 VAL A 50 -3.426 10.609 6.716 1.00 1.05 H ATOM 812 HG23 VAL A 50 -2.765 10.279 5.115 1.00 1.06 H ATOM 813 N LEU A 51 -2.167 7.122 3.409 1.00 0.19 N ATOM 814 CA LEU A 51 -1.081 6.210 2.976 1.00 0.18 C ATOM 815 C LEU A 51 0.228 6.969 3.109 1.00 0.18 C ATOM 816 O LEU A 51 0.745 7.517 2.155 1.00 0.20 O ATOM 817 CB LEU A 51 -1.267 5.748 1.523 1.00 0.17 C ATOM 818 CG LEU A 51 -0.106 4.823 1.149 1.00 0.19 C ATOM 819 CD1 LEU A 51 -0.195 3.543 1.973 1.00 0.21 C ATOM 820 CD2 LEU A 51 -0.185 4.451 -0.328 1.00 0.18 C ATOM 821 H LEU A 51 -2.294 7.982 2.968 1.00 0.21 H ATOM 822 HA LEU A 51 -1.059 5.348 3.629 1.00 0.17 H ATOM 823 HB2 LEU A 51 -2.194 5.208 1.429 1.00 0.17 H ATOM 824 HB3 LEU A 51 -1.277 6.600 0.866 1.00 0.18 H ATOM 825 HG LEU A 51 0.832 5.319 1.350 1.00 0.24 H ATOM 826 HD11 LEU A 51 -1.152 3.502 2.471 1.00 1.01 H ATOM 827 HD12 LEU A 51 -0.093 2.690 1.317 1.00 1.01 H ATOM 828 HD13 LEU A 51 0.597 3.530 2.707 1.00 0.99 H ATOM 829 HD21 LEU A 51 -1.201 4.568 -0.675 1.00 1.05 H ATOM 830 HD22 LEU A 51 0.471 5.093 -0.896 1.00 1.04 H ATOM 831 HD23 LEU A 51 0.121 3.418 -0.450 1.00 1.02 H ATOM 832 N GLU A 52 0.760 7.014 4.296 1.00 0.19 N ATOM 833 CA GLU A 52 2.031 7.743 4.505 1.00 0.21 C ATOM 834 C GLU A 52 3.158 6.861 3.988 1.00 0.19 C ATOM 835 O GLU A 52 3.789 6.122 4.721 1.00 0.19 O ATOM 836 CB GLU A 52 2.213 8.030 5.996 1.00 0.24 C ATOM 837 CG GLU A 52 3.642 8.508 6.256 1.00 0.30 C ATOM 838 CD GLU A 52 3.650 9.471 7.444 1.00 0.64 C ATOM 839 OE1 GLU A 52 2.717 9.420 8.229 1.00 1.28 O ATOM 840 OE2 GLU A 52 4.588 10.244 7.550 1.00 1.44 O ATOM 841 H GLU A 52 0.318 6.571 5.050 1.00 0.20 H ATOM 842 HA GLU A 52 2.015 8.670 3.953 1.00 0.23 H ATOM 843 HB2 GLU A 52 1.512 8.798 6.299 1.00 0.25 H ATOM 844 HB3 GLU A 52 2.025 7.130 6.562 1.00 0.24 H ATOM 845 HG2 GLU A 52 4.271 7.658 6.477 1.00 0.57 H ATOM 846 HG3 GLU A 52 4.017 9.017 5.381 1.00 0.52 H ATOM 847 N TRP A 53 3.385 6.915 2.708 1.00 0.20 N ATOM 848 CA TRP A 53 4.436 6.072 2.099 1.00 0.20 C ATOM 849 C TRP A 53 5.813 6.694 2.321 1.00 0.24 C ATOM 850 O TRP A 53 6.142 7.720 1.760 1.00 0.38 O ATOM 851 CB TRP A 53 4.175 5.945 0.603 1.00 0.24 C ATOM 852 CG TRP A 53 4.807 4.689 0.123 1.00 0.23 C ATOM 853 CD1 TRP A 53 6.084 4.326 0.376 1.00 0.25 C ATOM 854 CD2 TRP A 53 4.223 3.620 -0.671 1.00 0.21 C ATOM 855 NE1 TRP A 53 6.325 3.103 -0.214 1.00 0.26 N ATOM 856 CE2 TRP A 53 5.210 2.627 -0.872 1.00 0.24 C ATOM 857 CE3 TRP A 53 2.948 3.416 -1.234 1.00 0.21 C ATOM 858 CZ2 TRP A 53 4.946 1.474 -1.601 1.00 0.25 C ATOM 859 CZ3 TRP A 53 2.684 2.251 -1.974 1.00 0.23 C ATOM 860 CH2 TRP A 53 3.682 1.284 -2.156 1.00 0.25 C ATOM 861 H TRP A 53 2.842 7.501 2.141 1.00 0.22 H ATOM 862 HA TRP A 53 4.406 5.089 2.545 1.00 0.20 H ATOM 863 HB2 TRP A 53 3.111 5.911 0.421 1.00 0.28 H ATOM 864 HB3 TRP A 53 4.606 6.789 0.085 1.00 0.30 H ATOM 865 HD1 TRP A 53 6.800 4.901 0.946 1.00 0.28 H ATOM 866 HE1 TRP A 53 7.175 2.618 -0.182 1.00 0.29 H ATOM 867 HE3 TRP A 53 2.166 4.156 -1.091 1.00 0.23 H ATOM 868 HZ2 TRP A 53 5.715 0.731 -1.736 1.00 0.29 H ATOM 869 HZ3 TRP A 53 1.712 2.103 -2.412 1.00 0.25 H ATOM 870 HH2 TRP A 53 3.474 0.393 -2.726 1.00 0.27 H ATOM 871 N ARG A 54 6.627 6.069 3.124 1.00 0.26 N ATOM 872 CA ARG A 54 7.992 6.607 3.371 1.00 0.35 C ATOM 873 C ARG A 54 8.988 5.823 2.515 1.00 0.49 C ATOM 874 O ARG A 54 8.781 4.663 2.219 1.00 1.33 O ATOM 875 CB ARG A 54 8.346 6.446 4.849 1.00 0.44 C ATOM 876 CG ARG A 54 8.545 7.825 5.481 1.00 0.88 C ATOM 877 CD ARG A 54 8.772 7.667 6.985 1.00 1.09 C ATOM 878 NE ARG A 54 10.009 8.396 7.382 1.00 1.40 N ATOM 879 CZ ARG A 54 10.254 8.632 8.637 1.00 1.87 C ATOM 880 NH1 ARG A 54 10.719 7.683 9.399 1.00 2.47 N ATOM 881 NH2 ARG A 54 10.035 9.816 9.133 1.00 2.46 N ATOM 882 H ARG A 54 6.344 5.236 3.555 1.00 0.34 H ATOM 883 HA ARG A 54 8.025 7.652 3.100 1.00 0.38 H ATOM 884 HB2 ARG A 54 7.543 5.930 5.357 1.00 0.76 H ATOM 885 HB3 ARG A 54 9.257 5.874 4.943 1.00 0.79 H ATOM 886 HG2 ARG A 54 9.402 8.307 5.032 1.00 1.47 H ATOM 887 HG3 ARG A 54 7.664 8.426 5.313 1.00 1.66 H ATOM 888 HD2 ARG A 54 7.929 8.074 7.521 1.00 1.82 H ATOM 889 HD3 ARG A 54 8.876 6.618 7.224 1.00 1.61 H ATOM 890 HE ARG A 54 10.641 8.699 6.697 1.00 1.89 H ATOM 891 HH11 ARG A 54 10.887 6.774 9.016 1.00 2.73 H ATOM 892 HH12 ARG A 54 10.910 7.862 10.362 1.00 3.03 H ATOM 893 HH21 ARG A 54 9.680 10.544 8.547 1.00 2.76 H ATOM 894 HH22 ARG A 54 10.226 9.998 10.097 1.00 2.96 H ATOM 895 N GLN A 55 10.062 6.439 2.107 1.00 0.53 N ATOM 896 CA GLN A 55 11.050 5.709 1.264 1.00 0.46 C ATOM 897 C GLN A 55 10.308 5.032 0.111 1.00 0.53 C ATOM 898 O GLN A 55 10.193 3.826 0.056 1.00 1.30 O ATOM 899 CB GLN A 55 11.759 4.650 2.111 1.00 0.55 C ATOM 900 CG GLN A 55 13.251 4.974 2.186 1.00 1.05 C ATOM 901 CD GLN A 55 13.542 5.750 3.472 1.00 1.22 C ATOM 902 OE1 GLN A 55 12.710 5.822 4.354 1.00 1.82 O ATOM 903 NE2 GLN A 55 14.698 6.338 3.616 1.00 1.89 N ATOM 904 H GLN A 55 10.215 7.377 2.347 1.00 1.19 H ATOM 905 HA GLN A 55 11.776 6.406 0.870 1.00 0.53 H ATOM 906 HB2 GLN A 55 11.340 4.644 3.107 1.00 0.71 H ATOM 907 HB3 GLN A 55 11.626 3.678 1.658 1.00 1.00 H ATOM 908 HG2 GLN A 55 13.820 4.055 2.181 1.00 1.76 H ATOM 909 HG3 GLN A 55 13.530 5.575 1.335 1.00 1.67 H ATOM 910 HE21 GLN A 55 15.369 6.280 2.904 1.00 2.32 H ATOM 911 HE22 GLN A 55 14.895 6.838 4.435 1.00 2.39 H ATOM 912 N PHE A 56 9.791 5.807 -0.801 1.00 0.64 N ATOM 913 CA PHE A 56 9.035 5.228 -1.949 1.00 0.57 C ATOM 914 C PHE A 56 10.002 4.576 -2.944 1.00 0.71 C ATOM 915 O PHE A 56 10.000 3.374 -3.124 1.00 1.62 O ATOM 916 CB PHE A 56 8.267 6.356 -2.637 1.00 0.62 C ATOM 917 CG PHE A 56 7.213 5.805 -3.572 1.00 0.57 C ATOM 918 CD1 PHE A 56 6.938 4.430 -3.629 1.00 1.37 C ATOM 919 CD2 PHE A 56 6.504 6.690 -4.386 1.00 1.31 C ATOM 920 CE1 PHE A 56 5.953 3.951 -4.507 1.00 1.40 C ATOM 921 CE2 PHE A 56 5.522 6.212 -5.260 1.00 1.40 C ATOM 922 CZ PHE A 56 5.249 4.842 -5.323 1.00 0.79 C ATOM 923 H PHE A 56 9.889 6.779 -0.725 1.00 1.28 H ATOM 924 HA PHE A 56 8.339 4.490 -1.582 1.00 0.53 H ATOM 925 HB2 PHE A 56 7.788 6.966 -1.886 1.00 0.66 H ATOM 926 HB3 PHE A 56 8.959 6.965 -3.200 1.00 0.80 H ATOM 927 HD1 PHE A 56 7.482 3.741 -3.004 1.00 2.26 H ATOM 928 HD2 PHE A 56 6.705 7.752 -4.327 1.00 2.17 H ATOM 929 HE1 PHE A 56 5.732 2.896 -4.550 1.00 2.26 H ATOM 930 HE2 PHE A 56 4.978 6.900 -5.890 1.00 2.29 H ATOM 931 HZ PHE A 56 4.493 4.472 -5.998 1.00 0.95 H ATOM 932 N GLU A 57 10.824 5.355 -3.595 1.00 0.67 N ATOM 933 CA GLU A 57 11.784 4.768 -4.576 1.00 0.65 C ATOM 934 C GLU A 57 12.637 3.708 -3.882 1.00 0.58 C ATOM 935 O GLU A 57 13.002 2.709 -4.467 1.00 0.58 O ATOM 936 CB GLU A 57 12.703 5.861 -5.118 1.00 0.80 C ATOM 937 CG GLU A 57 11.991 6.634 -6.229 1.00 1.16 C ATOM 938 CD GLU A 57 12.794 7.891 -6.571 1.00 1.75 C ATOM 939 OE1 GLU A 57 13.812 8.110 -5.935 1.00 2.34 O ATOM 940 OE2 GLU A 57 12.378 8.612 -7.462 1.00 2.41 O ATOM 941 H GLU A 57 10.810 6.322 -3.440 1.00 1.34 H ATOM 942 HA GLU A 57 11.238 4.318 -5.392 1.00 0.66 H ATOM 943 HB2 GLU A 57 12.966 6.536 -4.317 1.00 1.21 H ATOM 944 HB3 GLU A 57 13.597 5.405 -5.514 1.00 1.06 H ATOM 945 HG2 GLU A 57 11.908 6.009 -7.106 1.00 1.71 H ATOM 946 HG3 GLU A 57 11.004 6.919 -5.896 1.00 1.62 H ATOM 947 N GLN A 58 12.961 3.924 -2.638 1.00 0.58 N ATOM 948 CA GLN A 58 13.786 2.942 -1.899 1.00 0.60 C ATOM 949 C GLN A 58 12.982 1.655 -1.731 1.00 0.53 C ATOM 950 O GLN A 58 13.524 0.569 -1.730 1.00 0.56 O ATOM 951 CB GLN A 58 14.158 3.516 -0.530 1.00 0.69 C ATOM 952 CG GLN A 58 15.064 4.735 -0.723 1.00 0.94 C ATOM 953 CD GLN A 58 16.526 4.322 -0.542 1.00 1.56 C ATOM 954 OE1 GLN A 58 16.810 3.268 -0.008 1.00 2.34 O ATOM 955 NE2 GLN A 58 17.472 5.114 -0.966 1.00 1.94 N ATOM 956 H GLN A 58 12.664 4.732 -2.195 1.00 0.61 H ATOM 957 HA GLN A 58 14.680 2.741 -2.460 1.00 0.68 H ATOM 958 HB2 GLN A 58 13.260 3.812 -0.007 1.00 0.78 H ATOM 959 HB3 GLN A 58 14.682 2.768 0.046 1.00 0.82 H ATOM 960 HG2 GLN A 58 14.923 5.132 -1.718 1.00 1.18 H ATOM 961 HG3 GLN A 58 14.813 5.490 0.004 1.00 1.25 H ATOM 962 HE21 GLN A 58 17.243 5.964 -1.397 1.00 2.09 H ATOM 963 HE22 GLN A 58 18.412 4.859 -0.855 1.00 2.49 H ATOM 964 N SER A 59 11.685 1.773 -1.611 1.00 0.52 N ATOM 965 CA SER A 59 10.829 0.560 -1.473 1.00 0.52 C ATOM 966 C SER A 59 10.318 0.172 -2.859 1.00 0.44 C ATOM 967 O SER A 59 9.371 -0.576 -3.002 1.00 0.48 O ATOM 968 CB SER A 59 9.639 0.859 -0.562 1.00 0.65 C ATOM 969 OG SER A 59 9.861 0.266 0.709 1.00 1.39 O ATOM 970 H SER A 59 11.273 2.661 -1.630 1.00 0.57 H ATOM 971 HA SER A 59 11.414 -0.253 -1.061 1.00 0.57 H ATOM 972 HB2 SER A 59 9.530 1.923 -0.444 1.00 1.32 H ATOM 973 HB3 SER A 59 8.739 0.455 -1.005 1.00 1.16 H ATOM 974 HG SER A 59 9.090 0.437 1.254 1.00 1.85 H ATOM 975 N LYS A 60 10.954 0.675 -3.881 1.00 0.41 N ATOM 976 CA LYS A 60 10.532 0.342 -5.266 1.00 0.42 C ATOM 977 C LYS A 60 11.614 -0.520 -5.922 1.00 0.44 C ATOM 978 O LYS A 60 11.326 -1.436 -6.666 1.00 0.55 O ATOM 979 CB LYS A 60 10.356 1.636 -6.062 1.00 0.51 C ATOM 980 CG LYS A 60 9.518 1.361 -7.311 1.00 1.03 C ATOM 981 CD LYS A 60 9.317 2.665 -8.084 1.00 1.61 C ATOM 982 CE LYS A 60 9.529 2.412 -9.575 1.00 2.36 C ATOM 983 NZ LYS A 60 10.507 3.397 -10.112 1.00 3.11 N ATOM 984 H LYS A 60 11.719 1.272 -3.737 1.00 0.45 H ATOM 985 HA LYS A 60 9.599 -0.201 -5.242 1.00 0.45 H ATOM 986 HB2 LYS A 60 9.855 2.369 -5.448 1.00 0.84 H ATOM 987 HB3 LYS A 60 11.324 2.012 -6.356 1.00 0.92 H ATOM 988 HG2 LYS A 60 10.029 0.643 -7.938 1.00 1.56 H ATOM 989 HG3 LYS A 60 8.557 0.967 -7.020 1.00 1.36 H ATOM 990 HD2 LYS A 60 8.313 3.027 -7.920 1.00 2.03 H ATOM 991 HD3 LYS A 60 10.027 3.403 -7.741 1.00 2.04 H ATOM 992 HE2 LYS A 60 9.908 1.412 -9.721 1.00 2.76 H ATOM 993 HE3 LYS A 60 8.588 2.521 -10.093 1.00 2.69 H ATOM 994 HZ1 LYS A 60 10.227 4.356 -9.825 1.00 3.41 H ATOM 995 HZ2 LYS A 60 11.453 3.188 -9.737 1.00 3.45 H ATOM 996 HZ3 LYS A 60 10.522 3.336 -11.150 1.00 3.55 H ATOM 997 N GLN A 61 12.860 -0.228 -5.655 1.00 0.51 N ATOM 998 CA GLN A 61 13.963 -1.020 -6.264 1.00 0.62 C ATOM 999 C GLN A 61 14.010 -2.425 -5.651 1.00 0.60 C ATOM 1000 O GLN A 61 13.841 -3.416 -6.332 1.00 0.66 O ATOM 1001 CB GLN A 61 15.297 -0.315 -6.006 1.00 0.73 C ATOM 1002 CG GLN A 61 15.326 1.021 -6.751 1.00 1.14 C ATOM 1003 CD GLN A 61 16.704 1.221 -7.385 1.00 1.66 C ATOM 1004 OE1 GLN A 61 17.499 0.303 -7.440 1.00 2.16 O ATOM 1005 NE2 GLN A 61 17.024 2.390 -7.868 1.00 2.39 N ATOM 1006 H GLN A 61 13.070 0.519 -5.059 1.00 0.58 H ATOM 1007 HA GLN A 61 13.798 -1.092 -7.320 1.00 0.68 H ATOM 1008 HB2 GLN A 61 15.410 -0.139 -4.945 1.00 0.81 H ATOM 1009 HB3 GLN A 61 16.106 -0.938 -6.356 1.00 0.88 H ATOM 1010 HG2 GLN A 61 14.571 1.019 -7.523 1.00 1.53 H ATOM 1011 HG3 GLN A 61 15.131 1.825 -6.057 1.00 1.54 H ATOM 1012 HE21 GLN A 61 16.383 3.131 -7.822 1.00 2.75 H ATOM 1013 HE22 GLN A 61 17.904 2.528 -8.276 1.00 2.92 H ATOM 1014 N LEU A 62 14.264 -2.497 -4.372 1.00 0.64 N ATOM 1015 CA LEU A 62 14.358 -3.820 -3.661 1.00 0.71 C ATOM 1016 C LEU A 62 13.391 -4.833 -4.276 1.00 0.67 C ATOM 1017 O LEU A 62 13.653 -6.019 -4.302 1.00 0.94 O ATOM 1018 CB LEU A 62 13.995 -3.678 -2.170 1.00 0.78 C ATOM 1019 CG LEU A 62 13.609 -2.241 -1.817 1.00 0.78 C ATOM 1020 CD1 LEU A 62 12.330 -1.844 -2.561 1.00 0.66 C ATOM 1021 CD2 LEU A 62 13.367 -2.146 -0.310 1.00 0.94 C ATOM 1022 H LEU A 62 14.415 -1.673 -3.879 1.00 0.70 H ATOM 1023 HA LEU A 62 15.366 -4.197 -3.745 1.00 0.80 H ATOM 1024 HB2 LEU A 62 13.165 -4.329 -1.946 1.00 0.78 H ATOM 1025 HB3 LEU A 62 14.843 -3.970 -1.571 1.00 0.89 H ATOM 1026 HG LEU A 62 14.411 -1.572 -2.092 1.00 0.81 H ATOM 1027 HD11 LEU A 62 12.281 -2.353 -3.506 1.00 1.33 H ATOM 1028 HD12 LEU A 62 11.465 -2.111 -1.971 1.00 1.10 H ATOM 1029 HD13 LEU A 62 12.337 -0.784 -2.731 1.00 1.10 H ATOM 1030 HD21 LEU A 62 12.694 -2.933 -0.004 1.00 1.39 H ATOM 1031 HD22 LEU A 62 14.306 -2.252 0.212 1.00 1.38 H ATOM 1032 HD23 LEU A 62 12.930 -1.187 -0.076 1.00 1.48 H ATOM 1033 N THR A 63 12.276 -4.379 -4.770 1.00 0.58 N ATOM 1034 CA THR A 63 11.298 -5.309 -5.376 1.00 0.70 C ATOM 1035 C THR A 63 10.933 -4.785 -6.761 1.00 0.81 C ATOM 1036 O THR A 63 9.802 -4.445 -7.030 1.00 0.89 O ATOM 1037 CB THR A 63 10.042 -5.450 -4.482 1.00 0.65 C ATOM 1038 OG1 THR A 63 8.893 -5.599 -5.300 1.00 0.72 O ATOM 1039 CG2 THR A 63 9.848 -4.231 -3.559 1.00 0.52 C ATOM 1040 H THR A 63 12.087 -3.425 -4.752 1.00 0.65 H ATOM 1041 HA THR A 63 11.761 -6.276 -5.486 1.00 0.91 H ATOM 1042 HB THR A 63 10.150 -6.332 -3.870 1.00 0.82 H ATOM 1043 HG1 THR A 63 9.001 -6.400 -5.817 1.00 1.10 H ATOM 1044 HG21 THR A 63 10.697 -3.574 -3.623 1.00 1.22 H ATOM 1045 HG22 THR A 63 8.959 -3.696 -3.856 1.00 1.12 H ATOM 1046 HG23 THR A 63 9.735 -4.567 -2.537 1.00 1.06 H ATOM 1047 N GLU A 64 11.921 -4.721 -7.629 1.00 0.95 N ATOM 1048 CA GLU A 64 11.731 -4.227 -9.035 1.00 1.21 C ATOM 1049 C GLU A 64 10.247 -4.117 -9.389 1.00 1.18 C ATOM 1050 O GLU A 64 9.570 -5.108 -9.578 1.00 1.53 O ATOM 1051 CB GLU A 64 12.403 -5.214 -9.993 1.00 1.55 C ATOM 1052 CG GLU A 64 12.903 -4.472 -11.231 1.00 1.91 C ATOM 1053 CD GLU A 64 14.052 -5.257 -11.865 1.00 2.44 C ATOM 1054 OE1 GLU A 64 14.291 -6.373 -11.432 1.00 3.09 O ATOM 1055 OE2 GLU A 64 14.675 -4.730 -12.771 1.00 2.79 O ATOM 1056 H GLU A 64 12.817 -5.003 -7.344 1.00 0.95 H ATOM 1057 HA GLU A 64 12.197 -3.260 -9.140 1.00 1.31 H ATOM 1058 HB2 GLU A 64 13.237 -5.686 -9.495 1.00 1.89 H ATOM 1059 HB3 GLU A 64 11.689 -5.968 -10.291 1.00 1.80 H ATOM 1060 HG2 GLU A 64 12.095 -4.376 -11.943 1.00 2.30 H ATOM 1061 HG3 GLU A 64 13.252 -3.491 -10.947 1.00 2.19 H ATOM 1062 N ASN A 65 9.732 -2.920 -9.470 1.00 1.70 N ATOM 1063 CA ASN A 65 8.289 -2.761 -9.802 1.00 1.68 C ATOM 1064 C ASN A 65 7.456 -3.157 -8.582 1.00 0.85 C ATOM 1065 O ASN A 65 6.375 -3.697 -8.706 1.00 1.09 O ATOM 1066 CB ASN A 65 7.944 -3.685 -10.974 1.00 2.27 C ATOM 1067 CG ASN A 65 6.828 -3.063 -11.814 1.00 2.89 C ATOM 1068 OD1 ASN A 65 6.854 -1.884 -12.103 1.00 3.24 O ATOM 1069 ND2 ASN A 65 5.844 -3.815 -12.224 1.00 3.66 N ATOM 1070 H ASN A 65 10.290 -2.131 -9.307 1.00 2.39 H ATOM 1071 HA ASN A 65 8.085 -1.736 -10.071 1.00 2.30 H ATOM 1072 HB2 ASN A 65 8.821 -3.829 -11.589 1.00 2.72 H ATOM 1073 HB3 ASN A 65 7.613 -4.640 -10.593 1.00 2.52 H ATOM 1074 HD21 ASN A 65 5.826 -4.768 -11.993 1.00 3.87 H ATOM 1075 HD22 ASN A 65 5.124 -3.429 -12.766 1.00 4.28 H ATOM 1076 N GLY A 66 7.968 -2.928 -7.401 1.00 0.56 N ATOM 1077 CA GLY A 66 7.225 -3.330 -6.177 1.00 1.20 C ATOM 1078 C GLY A 66 6.279 -2.227 -5.680 1.00 0.91 C ATOM 1079 O GLY A 66 5.073 -2.381 -5.677 1.00 1.26 O ATOM 1080 H GLY A 66 8.861 -2.521 -7.319 1.00 0.73 H ATOM 1081 HA2 GLY A 66 6.652 -4.220 -6.387 1.00 1.86 H ATOM 1082 HA3 GLY A 66 7.945 -3.548 -5.395 1.00 1.89 H ATOM 1083 N ALA A 67 6.826 -1.155 -5.185 1.00 0.39 N ATOM 1084 CA ALA A 67 5.996 -0.071 -4.590 1.00 0.46 C ATOM 1085 C ALA A 67 5.313 0.846 -5.615 1.00 0.34 C ATOM 1086 O ALA A 67 4.352 1.513 -5.286 1.00 0.53 O ATOM 1087 CB ALA A 67 6.909 0.777 -3.713 1.00 0.64 C ATOM 1088 H ALA A 67 7.795 -1.087 -5.142 1.00 0.28 H ATOM 1089 HA ALA A 67 5.245 -0.516 -3.971 1.00 0.76 H ATOM 1090 HB1 ALA A 67 7.781 1.063 -4.283 1.00 1.13 H ATOM 1091 HB2 ALA A 67 6.385 1.660 -3.391 1.00 1.32 H ATOM 1092 HB3 ALA A 67 7.213 0.202 -2.851 1.00 1.26 H ATOM 1093 N GLU A 68 5.778 0.935 -6.823 1.00 0.27 N ATOM 1094 CA GLU A 68 5.129 1.851 -7.769 1.00 0.38 C ATOM 1095 C GLU A 68 3.751 1.292 -8.176 1.00 0.39 C ATOM 1096 O GLU A 68 2.884 2.021 -8.617 1.00 0.49 O ATOM 1097 CB GLU A 68 6.069 2.020 -8.971 1.00 0.51 C ATOM 1098 CG GLU A 68 5.274 2.020 -10.258 1.00 1.38 C ATOM 1099 CD GLU A 68 6.148 2.521 -11.410 1.00 1.57 C ATOM 1100 OE1 GLU A 68 6.989 3.370 -11.165 1.00 1.83 O ATOM 1101 OE2 GLU A 68 5.961 2.047 -12.518 1.00 2.27 O ATOM 1102 H GLU A 68 6.553 0.431 -7.109 1.00 0.40 H ATOM 1103 HA GLU A 68 4.997 2.803 -7.289 1.00 0.45 H ATOM 1104 HB2 GLU A 68 6.607 2.952 -8.879 1.00 1.06 H ATOM 1105 HB3 GLU A 68 6.773 1.201 -8.989 1.00 1.06 H ATOM 1106 HG2 GLU A 68 4.950 1.011 -10.449 1.00 2.01 H ATOM 1107 HG3 GLU A 68 4.418 2.664 -10.144 1.00 2.12 H ATOM 1108 N SER A 69 3.544 0.011 -8.034 1.00 0.39 N ATOM 1109 CA SER A 69 2.227 -0.585 -8.417 1.00 0.47 C ATOM 1110 C SER A 69 1.196 -0.382 -7.297 1.00 0.37 C ATOM 1111 O SER A 69 0.120 0.157 -7.510 1.00 0.35 O ATOM 1112 CB SER A 69 2.405 -2.082 -8.669 1.00 0.58 C ATOM 1113 OG SER A 69 2.127 -2.366 -10.033 1.00 0.90 O ATOM 1114 H SER A 69 4.256 -0.563 -7.679 1.00 0.40 H ATOM 1115 HA SER A 69 1.871 -0.112 -9.320 1.00 0.55 H ATOM 1116 HB2 SER A 69 3.420 -2.368 -8.447 1.00 0.81 H ATOM 1117 HB3 SER A 69 1.730 -2.635 -8.029 1.00 0.78 H ATOM 1118 HG SER A 69 2.943 -2.269 -10.529 1.00 1.26 H ATOM 1119 N VAL A 70 1.509 -0.818 -6.106 1.00 0.34 N ATOM 1120 CA VAL A 70 0.544 -0.662 -4.984 1.00 0.27 C ATOM 1121 C VAL A 70 0.107 0.793 -4.912 1.00 0.20 C ATOM 1122 O VAL A 70 -1.057 1.098 -4.748 1.00 0.20 O ATOM 1123 CB VAL A 70 1.215 -1.063 -3.671 1.00 0.31 C ATOM 1124 CG1 VAL A 70 0.288 -0.737 -2.499 1.00 0.29 C ATOM 1125 CG2 VAL A 70 1.504 -2.565 -3.687 1.00 0.41 C ATOM 1126 H VAL A 70 2.375 -1.246 -5.951 1.00 0.38 H ATOM 1127 HA VAL A 70 -0.317 -1.290 -5.158 1.00 0.28 H ATOM 1128 HB VAL A 70 2.138 -0.519 -3.561 1.00 0.33 H ATOM 1129 HG11 VAL A 70 -0.469 -0.036 -2.819 1.00 1.06 H ATOM 1130 HG12 VAL A 70 -0.186 -1.644 -2.153 1.00 1.07 H ATOM 1131 HG13 VAL A 70 0.863 -0.303 -1.696 1.00 1.02 H ATOM 1132 HG21 VAL A 70 0.701 -3.081 -4.191 1.00 1.06 H ATOM 1133 HG22 VAL A 70 2.432 -2.747 -4.209 1.00 1.03 H ATOM 1134 HG23 VAL A 70 1.585 -2.927 -2.673 1.00 0.96 H ATOM 1135 N LEU A 71 1.033 1.696 -5.048 1.00 0.24 N ATOM 1136 CA LEU A 71 0.663 3.134 -5.002 1.00 0.23 C ATOM 1137 C LEU A 71 -0.340 3.411 -6.113 1.00 0.23 C ATOM 1138 O LEU A 71 -1.335 4.061 -5.909 1.00 0.23 O ATOM 1139 CB LEU A 71 1.897 3.996 -5.229 1.00 0.30 C ATOM 1140 CG LEU A 71 1.476 5.464 -5.305 1.00 0.35 C ATOM 1141 CD1 LEU A 71 1.177 5.986 -3.899 1.00 0.36 C ATOM 1142 CD2 LEU A 71 2.605 6.290 -5.924 1.00 0.43 C ATOM 1143 H LEU A 71 1.966 1.424 -5.191 1.00 0.31 H ATOM 1144 HA LEU A 71 0.223 3.368 -4.044 1.00 0.21 H ATOM 1145 HB2 LEU A 71 2.595 3.856 -4.416 1.00 0.30 H ATOM 1146 HB3 LEU A 71 2.355 3.708 -6.157 1.00 0.34 H ATOM 1147 HG LEU A 71 0.588 5.549 -5.916 1.00 0.40 H ATOM 1148 HD11 LEU A 71 0.910 5.159 -3.258 1.00 1.03 H ATOM 1149 HD12 LEU A 71 2.053 6.479 -3.504 1.00 1.04 H ATOM 1150 HD13 LEU A 71 0.357 6.687 -3.942 1.00 1.06 H ATOM 1151 HD21 LEU A 71 3.189 5.665 -6.584 1.00 1.11 H ATOM 1152 HD22 LEU A 71 2.185 7.111 -6.485 1.00 1.14 H ATOM 1153 HD23 LEU A 71 3.238 6.677 -5.140 1.00 1.05 H ATOM 1154 N GLN A 72 -0.083 2.914 -7.289 1.00 0.28 N ATOM 1155 CA GLN A 72 -1.027 3.138 -8.419 1.00 0.30 C ATOM 1156 C GLN A 72 -2.417 2.716 -7.977 1.00 0.25 C ATOM 1157 O GLN A 72 -3.408 3.314 -8.334 1.00 0.25 O ATOM 1158 CB GLN A 72 -0.583 2.279 -9.617 1.00 0.35 C ATOM 1159 CG GLN A 72 -1.789 1.868 -10.473 1.00 1.18 C ATOM 1160 CD GLN A 72 -1.304 1.317 -11.813 1.00 1.42 C ATOM 1161 OE1 GLN A 72 -1.069 2.064 -12.742 1.00 1.78 O ATOM 1162 NE2 GLN A 72 -1.144 0.029 -11.955 1.00 1.97 N ATOM 1163 H GLN A 72 0.729 2.385 -7.429 1.00 0.33 H ATOM 1164 HA GLN A 72 -1.035 4.183 -8.688 1.00 0.31 H ATOM 1165 HB2 GLN A 72 0.102 2.839 -10.221 1.00 0.83 H ATOM 1166 HB3 GLN A 72 -0.089 1.391 -9.253 1.00 0.78 H ATOM 1167 HG2 GLN A 72 -2.354 1.107 -9.953 1.00 1.81 H ATOM 1168 HG3 GLN A 72 -2.419 2.728 -10.645 1.00 1.80 H ATOM 1169 HE21 GLN A 72 -1.334 -0.574 -11.206 1.00 2.20 H ATOM 1170 HE22 GLN A 72 -0.834 -0.334 -12.811 1.00 2.45 H ATOM 1171 N VAL A 73 -2.487 1.666 -7.230 1.00 0.23 N ATOM 1172 CA VAL A 73 -3.797 1.162 -6.774 1.00 0.20 C ATOM 1173 C VAL A 73 -4.352 2.055 -5.661 1.00 0.16 C ATOM 1174 O VAL A 73 -5.547 2.201 -5.514 1.00 0.16 O ATOM 1175 CB VAL A 73 -3.590 -0.254 -6.268 1.00 0.21 C ATOM 1176 CG1 VAL A 73 -4.840 -0.752 -5.547 1.00 0.20 C ATOM 1177 CG2 VAL A 73 -3.258 -1.151 -7.468 1.00 0.26 C ATOM 1178 H VAL A 73 -1.670 1.188 -6.985 1.00 0.24 H ATOM 1179 HA VAL A 73 -4.479 1.151 -7.604 1.00 0.22 H ATOM 1180 HB VAL A 73 -2.769 -0.256 -5.582 1.00 0.21 H ATOM 1181 HG11 VAL A 73 -5.470 0.090 -5.302 1.00 1.02 H ATOM 1182 HG12 VAL A 73 -5.383 -1.429 -6.187 1.00 1.04 H ATOM 1183 HG13 VAL A 73 -4.554 -1.261 -4.642 1.00 1.05 H ATOM 1184 HG21 VAL A 73 -3.680 -0.717 -8.366 1.00 1.00 H ATOM 1185 HG22 VAL A 73 -2.183 -1.216 -7.579 1.00 1.08 H ATOM 1186 HG23 VAL A 73 -3.668 -2.140 -7.314 1.00 1.09 H ATOM 1187 N PHE A 74 -3.501 2.649 -4.873 1.00 0.15 N ATOM 1188 CA PHE A 74 -4.001 3.529 -3.773 1.00 0.14 C ATOM 1189 C PHE A 74 -4.501 4.858 -4.358 1.00 0.16 C ATOM 1190 O PHE A 74 -5.460 5.440 -3.887 1.00 0.18 O ATOM 1191 CB PHE A 74 -2.868 3.807 -2.778 1.00 0.14 C ATOM 1192 CG PHE A 74 -2.926 2.806 -1.651 1.00 0.12 C ATOM 1193 CD1 PHE A 74 -3.895 2.932 -0.650 1.00 0.16 C ATOM 1194 CD2 PHE A 74 -2.007 1.751 -1.608 1.00 0.16 C ATOM 1195 CE1 PHE A 74 -3.946 2.003 0.395 1.00 0.18 C ATOM 1196 CE2 PHE A 74 -2.058 0.822 -0.563 1.00 0.19 C ATOM 1197 CZ PHE A 74 -3.027 0.949 0.439 1.00 0.19 C ATOM 1198 H PHE A 74 -2.537 2.512 -5.002 1.00 0.16 H ATOM 1199 HA PHE A 74 -4.814 3.036 -3.262 1.00 0.13 H ATOM 1200 HB2 PHE A 74 -1.915 3.724 -3.278 1.00 0.17 H ATOM 1201 HB3 PHE A 74 -2.979 4.803 -2.377 1.00 0.17 H ATOM 1202 HD1 PHE A 74 -4.602 3.748 -0.683 1.00 0.21 H ATOM 1203 HD2 PHE A 74 -1.260 1.654 -2.381 1.00 0.21 H ATOM 1204 HE1 PHE A 74 -4.694 2.098 1.167 1.00 0.24 H ATOM 1205 HE2 PHE A 74 -1.349 0.008 -0.529 1.00 0.26 H ATOM 1206 HZ PHE A 74 -3.065 0.235 1.245 1.00 0.23 H ATOM 1207 N ARG A 75 -3.859 5.334 -5.388 1.00 0.19 N ATOM 1208 CA ARG A 75 -4.271 6.610 -6.018 1.00 0.23 C ATOM 1209 C ARG A 75 -5.453 6.341 -6.929 1.00 0.24 C ATOM 1210 O ARG A 75 -6.368 7.124 -7.030 1.00 0.33 O ATOM 1211 CB ARG A 75 -3.119 7.150 -6.851 1.00 0.26 C ATOM 1212 CG ARG A 75 -1.995 7.625 -5.930 1.00 0.54 C ATOM 1213 CD ARG A 75 -1.790 9.130 -6.107 1.00 1.28 C ATOM 1214 NE ARG A 75 -1.186 9.394 -7.445 1.00 1.38 N ATOM 1215 CZ ARG A 75 -1.177 10.604 -7.930 1.00 1.76 C ATOM 1216 NH1 ARG A 75 -1.310 11.627 -7.134 1.00 2.43 N ATOM 1217 NH2 ARG A 75 -1.032 10.790 -9.212 1.00 2.43 N ATOM 1218 H ARG A 75 -3.112 4.847 -5.752 1.00 0.21 H ATOM 1219 HA ARG A 75 -4.539 7.316 -5.258 1.00 0.23 H ATOM 1220 HB2 ARG A 75 -2.755 6.364 -7.492 1.00 0.48 H ATOM 1221 HB3 ARG A 75 -3.466 7.973 -7.453 1.00 0.51 H ATOM 1222 HG2 ARG A 75 -2.259 7.415 -4.904 1.00 0.91 H ATOM 1223 HG3 ARG A 75 -1.081 7.107 -6.179 1.00 1.01 H ATOM 1224 HD2 ARG A 75 -2.741 9.634 -6.035 1.00 2.01 H ATOM 1225 HD3 ARG A 75 -1.130 9.496 -5.334 1.00 1.94 H ATOM 1226 HE ARG A 75 -0.793 8.660 -7.960 1.00 1.94 H ATOM 1227 HH11 ARG A 75 -1.419 11.483 -6.150 1.00 2.67 H ATOM 1228 HH12 ARG A 75 -1.301 12.554 -7.505 1.00 3.11 H ATOM 1229 HH21 ARG A 75 -0.928 10.004 -9.821 1.00 2.68 H ATOM 1230 HH22 ARG A 75 -1.023 11.717 -9.585 1.00 3.12 H ATOM 1231 N GLU A 76 -5.429 5.219 -7.581 1.00 0.22 N ATOM 1232 CA GLU A 76 -6.544 4.838 -8.482 1.00 0.23 C ATOM 1233 C GLU A 76 -7.787 4.692 -7.616 1.00 0.21 C ATOM 1234 O GLU A 76 -8.839 5.219 -7.917 1.00 0.23 O ATOM 1235 CB GLU A 76 -6.206 3.501 -9.129 1.00 0.24 C ATOM 1236 CG GLU A 76 -5.555 3.723 -10.494 1.00 0.30 C ATOM 1237 CD GLU A 76 -6.631 4.058 -11.527 1.00 0.89 C ATOM 1238 OE1 GLU A 76 -7.781 3.734 -11.282 1.00 1.65 O ATOM 1239 OE2 GLU A 76 -6.286 4.632 -12.547 1.00 1.48 O ATOM 1240 H GLU A 76 -4.674 4.615 -7.461 1.00 0.25 H ATOM 1241 HA GLU A 76 -6.696 5.595 -9.236 1.00 0.26 H ATOM 1242 HB2 GLU A 76 -5.521 2.982 -8.487 1.00 0.23 H ATOM 1243 HB3 GLU A 76 -7.101 2.911 -9.243 1.00 0.24 H ATOM 1244 HG2 GLU A 76 -4.850 4.539 -10.427 1.00 0.60 H ATOM 1245 HG3 GLU A 76 -5.037 2.822 -10.793 1.00 0.60 H ATOM 1246 N ALA A 77 -7.653 4.005 -6.512 1.00 0.18 N ATOM 1247 CA ALA A 77 -8.796 3.857 -5.591 1.00 0.17 C ATOM 1248 C ALA A 77 -9.143 5.259 -5.113 1.00 0.19 C ATOM 1249 O ALA A 77 -10.294 5.632 -5.003 1.00 0.20 O ATOM 1250 CB ALA A 77 -8.403 2.975 -4.403 1.00 0.17 C ATOM 1251 H ALA A 77 -6.794 3.616 -6.281 1.00 0.17 H ATOM 1252 HA ALA A 77 -9.630 3.426 -6.117 1.00 0.18 H ATOM 1253 HB1 ALA A 77 -7.980 2.047 -4.765 1.00 0.99 H ATOM 1254 HB2 ALA A 77 -7.671 3.491 -3.799 1.00 0.97 H ATOM 1255 HB3 ALA A 77 -9.280 2.762 -3.809 1.00 1.00 H ATOM 1256 N LYS A 78 -8.133 6.059 -4.876 1.00 0.21 N ATOM 1257 CA LYS A 78 -8.377 7.464 -4.462 1.00 0.24 C ATOM 1258 C LYS A 78 -9.200 8.121 -5.560 1.00 0.28 C ATOM 1259 O LYS A 78 -9.990 9.016 -5.336 1.00 0.32 O ATOM 1260 CB LYS A 78 -7.038 8.187 -4.372 1.00 0.26 C ATOM 1261 CG LYS A 78 -7.077 9.218 -3.247 1.00 0.32 C ATOM 1262 CD LYS A 78 -7.173 10.619 -3.855 1.00 0.70 C ATOM 1263 CE LYS A 78 -7.216 11.663 -2.738 1.00 0.99 C ATOM 1264 NZ LYS A 78 -6.353 12.821 -3.109 1.00 1.50 N ATOM 1265 H LYS A 78 -7.205 5.741 -5.008 1.00 0.20 H ATOM 1266 HA LYS A 78 -8.897 7.503 -3.517 1.00 0.25 H ATOM 1267 HB2 LYS A 78 -6.256 7.469 -4.188 1.00 0.26 H ATOM 1268 HB3 LYS A 78 -6.847 8.688 -5.310 1.00 0.29 H ATOM 1269 HG2 LYS A 78 -7.936 9.035 -2.617 1.00 0.54 H ATOM 1270 HG3 LYS A 78 -6.175 9.145 -2.659 1.00 0.56 H ATOM 1271 HD2 LYS A 78 -6.310 10.797 -4.479 1.00 1.49 H ATOM 1272 HD3 LYS A 78 -8.071 10.693 -4.451 1.00 1.45 H ATOM 1273 HE2 LYS A 78 -8.234 12.000 -2.596 1.00 1.62 H ATOM 1274 HE3 LYS A 78 -6.853 11.223 -1.821 1.00 1.76 H ATOM 1275 HZ1 LYS A 78 -5.937 12.657 -4.047 1.00 1.97 H ATOM 1276 HZ2 LYS A 78 -6.926 13.690 -3.132 1.00 2.06 H ATOM 1277 HZ3 LYS A 78 -5.592 12.925 -2.409 1.00 1.84 H ATOM 1278 N ALA A 79 -8.984 7.664 -6.756 1.00 0.28 N ATOM 1279 CA ALA A 79 -9.690 8.204 -7.933 1.00 0.33 C ATOM 1280 C ALA A 79 -11.110 7.645 -7.972 1.00 0.32 C ATOM 1281 O ALA A 79 -12.027 8.262 -8.477 1.00 0.38 O ATOM 1282 CB ALA A 79 -8.920 7.757 -9.173 1.00 0.35 C ATOM 1283 H ALA A 79 -8.334 6.953 -6.883 1.00 0.26 H ATOM 1284 HA ALA A 79 -9.710 9.274 -7.882 1.00 0.36 H ATOM 1285 HB1 ALA A 79 -7.858 7.825 -8.973 1.00 1.09 H ATOM 1286 HB2 ALA A 79 -9.174 6.731 -9.402 1.00 1.05 H ATOM 1287 HB3 ALA A 79 -9.174 8.391 -10.008 1.00 1.07 H ATOM 1288 N GLU A 80 -11.285 6.472 -7.440 1.00 0.28 N ATOM 1289 CA GLU A 80 -12.620 5.829 -7.425 1.00 0.29 C ATOM 1290 C GLU A 80 -13.585 6.626 -6.544 1.00 0.37 C ATOM 1291 O GLU A 80 -14.762 6.332 -6.476 1.00 0.68 O ATOM 1292 CB GLU A 80 -12.466 4.417 -6.865 1.00 0.32 C ATOM 1293 CG GLU A 80 -12.076 3.469 -7.995 1.00 0.45 C ATOM 1294 CD GLU A 80 -13.336 2.876 -8.627 1.00 0.67 C ATOM 1295 OE1 GLU A 80 -13.927 3.543 -9.460 1.00 1.40 O ATOM 1296 OE2 GLU A 80 -13.688 1.764 -8.269 1.00 1.30 O ATOM 1297 H GLU A 80 -10.526 6.003 -7.052 1.00 0.27 H ATOM 1298 HA GLU A 80 -13.000 5.776 -8.429 1.00 0.36 H ATOM 1299 HB2 GLU A 80 -11.691 4.415 -6.111 1.00 0.36 H ATOM 1300 HB3 GLU A 80 -13.393 4.092 -6.425 1.00 0.36 H ATOM 1301 HG2 GLU A 80 -11.518 4.013 -8.744 1.00 0.62 H ATOM 1302 HG3 GLU A 80 -11.466 2.678 -7.597 1.00 0.74 H ATOM 1303 N GLY A 81 -13.098 7.621 -5.858 1.00 0.39 N ATOM 1304 CA GLY A 81 -13.987 8.421 -4.973 1.00 0.45 C ATOM 1305 C GLY A 81 -13.572 8.186 -3.522 1.00 0.39 C ATOM 1306 O GLY A 81 -13.963 8.908 -2.626 1.00 0.45 O ATOM 1307 H GLY A 81 -12.145 7.837 -5.915 1.00 0.59 H ATOM 1308 HA2 GLY A 81 -13.891 9.470 -5.215 1.00 0.54 H ATOM 1309 HA3 GLY A 81 -15.011 8.108 -5.108 1.00 0.53 H ATOM 1310 N CYS A 82 -12.776 7.179 -3.288 1.00 0.41 N ATOM 1311 CA CYS A 82 -12.322 6.888 -1.905 1.00 0.38 C ATOM 1312 C CYS A 82 -11.476 8.057 -1.395 1.00 0.38 C ATOM 1313 O CYS A 82 -10.977 8.854 -2.164 1.00 0.49 O ATOM 1314 CB CYS A 82 -11.480 5.614 -1.920 1.00 0.39 C ATOM 1315 SG CYS A 82 -12.566 4.168 -1.820 1.00 0.63 S ATOM 1316 H CYS A 82 -12.471 6.613 -4.028 1.00 0.52 H ATOM 1317 HA CYS A 82 -13.178 6.749 -1.262 1.00 0.42 H ATOM 1318 HB2 CYS A 82 -10.908 5.571 -2.835 1.00 0.43 H ATOM 1319 HB3 CYS A 82 -10.809 5.621 -1.079 1.00 0.46 H ATOM 1320 HG CYS A 82 -12.734 3.862 -2.714 1.00 1.11 H ATOM 1321 N ASP A 83 -11.316 8.173 -0.105 1.00 0.32 N ATOM 1322 CA ASP A 83 -10.510 9.298 0.444 1.00 0.37 C ATOM 1323 C ASP A 83 -9.188 8.769 1.009 1.00 0.36 C ATOM 1324 O ASP A 83 -8.935 8.844 2.195 1.00 0.57 O ATOM 1325 CB ASP A 83 -11.305 9.984 1.553 1.00 0.42 C ATOM 1326 CG ASP A 83 -10.709 11.364 1.834 1.00 0.53 C ATOM 1327 OD1 ASP A 83 -9.782 11.437 2.624 1.00 1.11 O ATOM 1328 OD2 ASP A 83 -11.191 12.324 1.255 1.00 1.30 O ATOM 1329 H ASP A 83 -11.732 7.528 0.503 1.00 0.31 H ATOM 1330 HA ASP A 83 -10.306 10.009 -0.342 1.00 0.40 H ATOM 1331 HB2 ASP A 83 -12.334 10.089 1.243 1.00 0.43 H ATOM 1332 HB3 ASP A 83 -11.261 9.385 2.448 1.00 0.42 H ATOM 1333 N ILE A 84 -8.339 8.244 0.168 1.00 0.33 N ATOM 1334 CA ILE A 84 -7.028 7.720 0.652 1.00 0.31 C ATOM 1335 C ILE A 84 -5.965 8.818 0.503 1.00 0.34 C ATOM 1336 O ILE A 84 -5.289 8.905 -0.503 1.00 0.67 O ATOM 1337 CB ILE A 84 -6.622 6.513 -0.191 1.00 0.30 C ATOM 1338 CG1 ILE A 84 -7.546 5.345 0.117 1.00 0.50 C ATOM 1339 CG2 ILE A 84 -5.182 6.114 0.131 1.00 0.28 C ATOM 1340 CD1 ILE A 84 -8.049 4.762 -1.198 1.00 0.34 C ATOM 1341 H ILE A 84 -8.560 8.200 -0.786 1.00 0.47 H ATOM 1342 HA ILE A 84 -7.114 7.418 1.691 1.00 0.30 H ATOM 1343 HB ILE A 84 -6.703 6.761 -1.238 1.00 0.42 H ATOM 1344 HG12 ILE A 84 -7.004 4.590 0.666 1.00 0.80 H ATOM 1345 HG13 ILE A 84 -8.385 5.689 0.702 1.00 0.80 H ATOM 1346 HG21 ILE A 84 -4.696 6.913 0.673 1.00 1.00 H ATOM 1347 HG22 ILE A 84 -5.185 5.220 0.737 1.00 1.04 H ATOM 1348 HG23 ILE A 84 -4.649 5.924 -0.788 1.00 1.12 H ATOM 1349 HD11 ILE A 84 -7.471 5.165 -2.015 1.00 1.10 H ATOM 1350 HD12 ILE A 84 -7.944 3.689 -1.174 1.00 1.11 H ATOM 1351 HD13 ILE A 84 -9.090 5.023 -1.327 1.00 1.05 H ATOM 1352 N THR A 85 -5.813 9.657 1.490 1.00 0.49 N ATOM 1353 CA THR A 85 -4.796 10.748 1.400 1.00 0.50 C ATOM 1354 C THR A 85 -3.430 10.156 1.047 1.00 0.47 C ATOM 1355 O THR A 85 -2.721 9.661 1.897 1.00 0.60 O ATOM 1356 CB THR A 85 -4.702 11.468 2.749 1.00 0.61 C ATOM 1357 OG1 THR A 85 -5.862 12.265 2.940 1.00 0.76 O ATOM 1358 CG2 THR A 85 -3.458 12.361 2.773 1.00 0.55 C ATOM 1359 H THR A 85 -6.367 9.572 2.289 1.00 0.79 H ATOM 1360 HA THR A 85 -5.092 11.452 0.637 1.00 0.50 H ATOM 1361 HB THR A 85 -4.631 10.740 3.542 1.00 0.72 H ATOM 1362 HG1 THR A 85 -6.135 12.177 3.857 1.00 1.32 H ATOM 1363 HG21 THR A 85 -3.146 12.570 1.760 1.00 1.12 H ATOM 1364 HG22 THR A 85 -3.689 13.287 3.277 1.00 1.07 H ATOM 1365 HG23 THR A 85 -2.660 11.854 3.297 1.00 1.26 H ATOM 1366 N ILE A 86 -3.051 10.211 -0.200 1.00 0.41 N ATOM 1367 CA ILE A 86 -1.727 9.654 -0.602 1.00 0.40 C ATOM 1368 C ILE A 86 -0.610 10.583 -0.118 1.00 0.44 C ATOM 1369 O ILE A 86 -0.489 11.706 -0.564 1.00 0.59 O ATOM 1370 CB ILE A 86 -1.665 9.540 -2.126 1.00 0.38 C ATOM 1371 CG1 ILE A 86 -2.821 8.668 -2.620 1.00 0.74 C ATOM 1372 CG2 ILE A 86 -0.331 8.915 -2.540 1.00 0.93 C ATOM 1373 CD1 ILE A 86 -2.613 7.223 -2.166 1.00 0.32 C ATOM 1374 H ILE A 86 -3.635 10.620 -0.872 1.00 0.45 H ATOM 1375 HA ILE A 86 -1.599 8.676 -0.161 1.00 0.43 H ATOM 1376 HB ILE A 86 -1.746 10.525 -2.561 1.00 0.74 H ATOM 1377 HG12 ILE A 86 -3.749 9.042 -2.213 1.00 1.39 H ATOM 1378 HG13 ILE A 86 -2.861 8.703 -3.698 1.00 1.38 H ATOM 1379 HG21 ILE A 86 0.449 9.269 -1.883 1.00 1.48 H ATOM 1380 HG22 ILE A 86 -0.397 7.840 -2.474 1.00 1.48 H ATOM 1381 HG23 ILE A 86 -0.102 9.200 -3.556 1.00 1.49 H ATOM 1382 HD11 ILE A 86 -2.100 7.212 -1.216 1.00 1.03 H ATOM 1383 HD12 ILE A 86 -3.573 6.740 -2.063 1.00 1.11 H ATOM 1384 HD13 ILE A 86 -2.023 6.696 -2.901 1.00 1.06 H ATOM 1385 N ILE A 87 0.212 10.123 0.786 1.00 0.39 N ATOM 1386 CA ILE A 87 1.322 10.982 1.287 1.00 0.44 C ATOM 1387 C ILE A 87 2.659 10.368 0.860 1.00 0.44 C ATOM 1388 O ILE A 87 3.132 9.413 1.442 1.00 0.55 O ATOM 1389 CB ILE A 87 1.247 11.073 2.813 1.00 0.46 C ATOM 1390 CG1 ILE A 87 0.091 11.995 3.208 1.00 0.57 C ATOM 1391 CG2 ILE A 87 2.556 11.640 3.362 1.00 0.55 C ATOM 1392 CD1 ILE A 87 -0.237 11.800 4.689 1.00 0.61 C ATOM 1393 H ILE A 87 0.104 9.210 1.132 1.00 0.41 H ATOM 1394 HA ILE A 87 1.230 11.971 0.862 1.00 0.49 H ATOM 1395 HB ILE A 87 1.080 10.089 3.224 1.00 0.37 H ATOM 1396 HG12 ILE A 87 0.376 13.023 3.034 1.00 0.71 H ATOM 1397 HG13 ILE A 87 -0.779 11.757 2.614 1.00 0.68 H ATOM 1398 HG21 ILE A 87 3.038 12.233 2.599 1.00 1.17 H ATOM 1399 HG22 ILE A 87 2.346 12.260 4.221 1.00 1.25 H ATOM 1400 HG23 ILE A 87 3.206 10.829 3.653 1.00 1.03 H ATOM 1401 HD11 ILE A 87 0.679 11.687 5.249 1.00 1.21 H ATOM 1402 HD12 ILE A 87 -0.779 12.660 5.054 1.00 1.12 H ATOM 1403 HD13 ILE A 87 -0.845 10.915 4.809 1.00 1.29 H ATOM 1404 N LEU A 88 3.259 10.902 -0.170 1.00 0.50 N ATOM 1405 CA LEU A 88 4.552 10.348 -0.662 1.00 0.52 C ATOM 1406 C LEU A 88 5.728 11.146 -0.093 1.00 0.56 C ATOM 1407 O LEU A 88 5.984 12.263 -0.495 1.00 0.80 O ATOM 1408 CB LEU A 88 4.558 10.413 -2.173 1.00 0.59 C ATOM 1409 CG LEU A 88 3.653 9.297 -2.669 1.00 0.82 C ATOM 1410 CD1 LEU A 88 2.691 9.851 -3.697 1.00 0.94 C ATOM 1411 CD2 LEU A 88 4.496 8.193 -3.286 1.00 1.57 C ATOM 1412 H LEU A 88 2.850 11.663 -0.631 1.00 0.63 H ATOM 1413 HA LEU A 88 4.634 9.313 -0.376 1.00 0.49 H ATOM 1414 HB2 LEU A 88 4.181 11.371 -2.501 1.00 0.76 H ATOM 1415 HB3 LEU A 88 5.559 10.262 -2.546 1.00 0.68 H ATOM 1416 HG LEU A 88 3.092 8.898 -1.837 1.00 1.63 H ATOM 1417 HD11 LEU A 88 3.141 10.700 -4.183 1.00 1.44 H ATOM 1418 HD12 LEU A 88 2.466 9.089 -4.426 1.00 1.46 H ATOM 1419 HD13 LEU A 88 1.788 10.157 -3.198 1.00 1.55 H ATOM 1420 HD21 LEU A 88 5.534 8.356 -3.037 1.00 1.91 H ATOM 1421 HD22 LEU A 88 4.179 7.238 -2.894 1.00 2.31 H ATOM 1422 HD23 LEU A 88 4.375 8.200 -4.359 1.00 2.02 H ATOM 1423 N SER A 89 6.445 10.581 0.841 1.00 0.55 N ATOM 1424 CA SER A 89 7.604 11.308 1.435 1.00 0.62 C ATOM 1425 C SER A 89 8.908 10.659 0.968 1.00 0.85 C ATOM 1426 O SER A 89 8.935 9.445 0.852 1.00 1.41 O ATOM 1427 CB SER A 89 7.520 11.241 2.961 1.00 0.87 C ATOM 1428 OG SER A 89 7.246 12.538 3.473 1.00 1.64 O ATOM 1429 OXT SER A 89 9.859 11.388 0.735 1.00 1.52 O ATOM 1430 H SER A 89 6.222 9.680 1.152 1.00 0.66 H ATOM 1431 HA SER A 89 7.582 12.340 1.118 1.00 0.74 H ATOM 1432 HB2 SER A 89 6.729 10.570 3.251 1.00 1.30 H ATOM 1433 HB3 SER A 89 8.461 10.879 3.356 1.00 1.41 H ATOM 1434 HG SER A 89 6.663 12.440 4.229 1.00 2.01 H TER 1435 SER A 89 MASTER 117 0 0 4 3 0 0 6 720 1 0 7 END If you find results from this site helpful for your research, please cite one of our papers:
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