Browse entries in the PDBbind-CN Database
HEADER 4KM0_COMPLEX COMPND 4KM0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 161 SER HIS MET VAL GLY LEU ILE TRP ALA GLN ALA THR SER SEQRES 2 A 161 GLY VAL ILE GLY ARG GLY GLY ASP ILE PRO TRP ARG LEU SEQRES 3 A 161 PRO GLU ASP GLN ALA HIS PHE ARG GLU ILE THR MET GLY SEQRES 4 A 161 HIS THR ILE VAL MET GLY ARG ARG THR TRP ASP SER LEU SEQRES 5 A 161 PRO ALA LYS VAL ARG PRO LEU PRO GLY ARG ARG ASN VAL SEQRES 6 A 161 VAL LEU SER ARG GLN ALA ASP PHE MET ALA SER GLY ALA SEQRES 7 A 161 GLU VAL VAL GLY SER LEU GLU GLU ALA LEU THR SER PRO SEQRES 8 A 161 GLU THR TRP VAL ILE GLY GLY GLY GLN VAL TYR ALA LEU SEQRES 9 A 161 ALA LEU PRO TYR ALA THR ARG CYS GLU VAL THR GLU VAL SEQRES 10 A 161 ASP ILE GLY LEU PRO ARG GLU ALA GLY ASP ALA LEU ALA SEQRES 11 A 161 PRO VAL LEU ASP GLU THR TRP ARG GLY GLU THR GLY GLU SEQRES 12 A 161 TRP ARG PHE SER ARG SER GLY LEU ARG TYR ARG LEU TYR SEQRES 13 A 161 SER TYR HIS ARG SER HET CP A 6 30 ATOM 1 N SER A -1 7.203 7.399 20.656 1.00 44.16 N ATOM 2 CA SER A -1 6.407 7.730 19.436 1.00 33.70 C ATOM 3 C SER A -1 7.071 8.739 18.529 1.00 39.66 C ATOM 4 O SER A -1 7.604 9.791 19.008 1.00 50.75 O ATOM 5 CB SER A -1 5.032 8.265 19.861 1.00 42.63 C ATOM 6 HA SER A -1 6.318 6.807 18.863 1.00 0.00 H ATOM 7 HB2 SER A -1 4.512 7.504 20.443 1.00 0.00 H ATOM 8 HB3 SER A -1 5.164 9.161 20.467 1.00 0.00 H ATOM 9 HN3 SER A -1 7.355 8.263 21.214 1.00 0.00 H ATOM 10 HN2 SER A -1 8.121 7.002 20.372 1.00 0.00 H ATOM 11 HN1 SER A -1 6.685 6.702 21.228 1.00 0.00 H ATOM 12 N HIS A 0 7.002 8.449 17.224 1.00 28.58 N ATOM 13 CA HIS A 0 7.584 9.279 16.198 1.00 23.67 C ATOM 14 C HIS A 0 6.976 9.152 14.820 1.00 18.82 C ATOM 15 O HIS A 0 5.817 9.495 14.665 1.00 17.63 O ATOM 16 CB HIS A 0 9.105 9.279 16.191 1.00 29.90 C ATOM 17 HA HIS A 0 7.289 10.281 16.509 1.00 0.00 H ATOM 18 HB2 HIS A 0 9.471 9.647 17.149 1.00 0.00 H ATOM 19 HB3 HIS A 0 9.466 8.264 16.028 1.00 0.00 H ATOM 20 H HIS A 0 6.504 7.583 16.936 1.00 0.00 H ATOM 21 N MET A 1 7.708 8.640 13.816 1.00 20.48 N ATOM 22 CA MET A 1 7.306 8.858 12.428 1.00 17.35 C ATOM 23 C MET A 1 6.336 7.791 12.053 1.00 10.95 C ATOM 24 O MET A 1 6.671 6.629 12.064 1.00 14.54 O ATOM 25 CB MET A 1 8.494 8.766 11.499 1.00 18.43 C ATOM 26 CG MET A 1 8.211 9.437 10.157 1.00 21.85 C ATOM 27 SD MET A 1 7.251 8.408 9.015 1.00 21.92 S ATOM 28 CE MET A 1 8.311 6.977 8.883 1.00 20.29 C ATOM 29 HA MET A 1 6.866 9.851 12.339 1.00 0.00 H ATOM 30 HB2 MET A 1 9.348 9.256 11.967 1.00 0.00 H ATOM 31 HB3 MET A 1 8.729 7.716 11.327 1.00 0.00 H ATOM 32 HG2 MET A 1 9.163 9.678 9.685 1.00 0.00 H ATOM 33 HG3 MET A 1 7.655 10.356 10.342 1.00 0.00 H ATOM 34 HE1 MET A 1 9.281 7.280 8.489 1.00 0.00 H ATOM 35 HE2 MET A 1 8.442 6.531 9.869 1.00 0.00 H ATOM 36 HE3 MET A 1 7.855 6.250 8.211 1.00 0.00 H ATOM 37 H MET A 1 8.563 8.087 14.027 1.00 0.00 H ATOM 38 N VAL A 2 5.126 8.216 11.664 1.00 11.40 N ATOM 39 CA VAL A 2 4.103 7.320 11.125 1.00 9.85 C ATOM 40 C VAL A 2 3.960 7.504 9.629 1.00 7.93 C ATOM 41 O VAL A 2 3.688 8.573 9.127 1.00 10.04 O ATOM 42 CB VAL A 2 2.780 7.581 11.813 1.00 11.53 C ATOM 43 CG1 VAL A 2 1.656 6.645 11.336 1.00 14.25 C ATOM 44 CG2 VAL A 2 3.016 7.531 13.363 1.00 16.05 C ATOM 45 HA VAL A 2 4.409 6.291 11.313 1.00 0.00 H ATOM 46 HB VAL A 2 2.421 8.573 11.540 1.00 0.00 H ATOM 47 HG11 VAL A 2 1.504 6.779 10.265 1.00 0.00 H ATOM 48 HG12 VAL A 2 1.936 5.611 11.538 1.00 0.00 H ATOM 49 HG13 VAL A 2 0.735 6.885 11.868 1.00 0.00 H ATOM 50 HG21 VAL A 2 3.396 6.547 13.640 1.00 0.00 H ATOM 51 HG22 VAL A 2 3.742 8.294 13.644 1.00 0.00 H ATOM 52 HG23 VAL A 2 2.074 7.717 13.879 1.00 0.00 H ATOM 53 H VAL A 2 4.904 9.229 11.749 1.00 0.00 H ATOM 54 N GLY A 3 4.152 6.385 8.939 1.00 8.27 N ATOM 55 CA GLY A 3 4.025 6.329 7.487 1.00 7.25 C ATOM 56 C GLY A 3 2.958 5.319 7.018 1.00 5.34 C ATOM 57 O GLY A 3 2.701 4.379 7.728 1.00 6.85 O ATOM 58 HA3 GLY A 3 4.987 6.041 7.064 1.00 0.00 H ATOM 59 HA2 GLY A 3 3.751 7.319 7.123 1.00 0.00 H ATOM 60 H GLY A 3 4.402 5.516 9.453 1.00 0.00 H ATOM 61 N LEU A 4 2.349 5.592 5.884 1.00 6.68 N ATOM 62 CA LEU A 4 1.460 4.661 5.191 1.00 5.84 C ATOM 63 C LEU A 4 2.204 4.129 3.997 1.00 6.31 C ATOM 64 O LEU A 4 2.892 4.905 3.303 1.00 6.66 O ATOM 65 CB LEU A 4 0.155 5.318 4.727 1.00 7.57 C ATOM 66 CG LEU A 4 -0.565 6.251 5.754 1.00 7.84 C ATOM 67 CD1 LEU A 4 -1.913 6.754 5.138 1.00 10.08 C ATOM 68 CD2 LEU A 4 -0.766 5.541 7.128 1.00 9.13 C ATOM 69 HA LEU A 4 1.180 3.868 5.885 1.00 0.00 H ATOM 70 HB2 LEU A 4 0.381 5.913 3.842 1.00 0.00 H ATOM 71 HB3 LEU A 4 -0.540 4.521 4.461 1.00 0.00 H ATOM 72 HG LEU A 4 0.064 7.118 5.955 1.00 0.00 H ATOM 73 HD21 LEU A 4 -1.374 4.647 6.988 1.00 0.00 H ATOM 74 HD22 LEU A 4 0.205 5.262 7.537 1.00 0.00 H ATOM 75 HD23 LEU A 4 -1.269 6.220 7.816 1.00 0.00 H ATOM 76 HD11 LEU A 4 -1.708 7.308 4.222 1.00 0.00 H ATOM 77 HD12 LEU A 4 -2.549 5.898 4.912 1.00 0.00 H ATOM 78 HD13 LEU A 4 -2.417 7.405 5.852 1.00 0.00 H ATOM 79 H LEU A 4 2.510 6.526 5.455 1.00 0.00 H ATOM 80 N ILE A 5 2.049 2.847 3.717 1.00 4.43 N ATOM 81 CA ILE A 5 2.629 2.233 2.521 1.00 5.39 C ATOM 82 C ILE A 5 1.578 1.370 1.846 1.00 4.87 C ATOM 83 O ILE A 5 0.890 0.588 2.511 1.00 5.24 O ATOM 84 CB ILE A 5 3.928 1.455 2.851 1.00 5.62 C ATOM 85 CG1 ILE A 5 4.521 0.827 1.571 1.00 5.15 C ATOM 86 CG2 ILE A 5 3.717 0.380 3.896 1.00 6.74 C ATOM 87 CD1 ILE A 5 5.990 0.497 1.648 1.00 6.71 C ATOM 88 HA ILE A 5 2.928 3.012 1.820 1.00 0.00 H ATOM 89 HB ILE A 5 4.628 2.180 3.266 1.00 0.00 H ATOM 90 HG12 ILE A 5 3.977 -0.094 1.362 1.00 0.00 H ATOM 91 HG13 ILE A 5 4.374 1.528 0.750 1.00 0.00 H ATOM 92 HD11 ILE A 5 6.556 1.408 1.842 1.00 0.00 H ATOM 93 HD12 ILE A 5 6.159 -0.216 2.455 1.00 0.00 H ATOM 94 HD13 ILE A 5 6.313 0.061 0.703 1.00 0.00 H ATOM 95 HG21 ILE A 5 3.358 0.837 4.818 1.00 0.00 H ATOM 96 HG22 ILE A 5 2.981 -0.337 3.534 1.00 0.00 H ATOM 97 HG23 ILE A 5 4.661 -0.131 4.086 1.00 0.00 H ATOM 98 H ILE A 5 1.496 2.254 4.368 1.00 0.00 H ATOM 99 N TRP A 6 1.345 1.576 0.534 1.00 4.27 N ATOM 100 CA TRP A 6 0.410 0.754 -0.218 1.00 4.81 C ATOM 101 C TRP A 6 0.805 0.724 -1.663 1.00 4.82 C ATOM 102 O TRP A 6 1.627 1.553 -2.127 1.00 5.15 O ATOM 103 CB TRP A 6 -1.025 1.313 -0.072 1.00 5.44 C ATOM 104 CG TRP A 6 -1.288 2.583 -0.807 1.00 5.90 C ATOM 105 CD1 TRP A 6 -1.767 2.751 -2.114 1.00 6.60 C ATOM 106 CD2 TRP A 6 -1.320 3.885 -0.198 1.00 5.81 C ATOM 107 NE1 TRP A 6 -1.993 4.070 -2.376 1.00 5.89 N ATOM 108 CE2 TRP A 6 -1.746 4.813 -1.255 1.00 5.85 C ATOM 109 CE3 TRP A 6 -0.959 4.402 1.078 1.00 7.36 C ATOM 110 CZ2 TRP A 6 -1.892 6.197 -1.050 1.00 6.91 C ATOM 111 CZ3 TRP A 6 -1.087 5.801 1.252 1.00 7.91 C ATOM 112 CH2 TRP A 6 -1.569 6.666 0.226 1.00 7.90 C ATOM 113 HA TRP A 6 0.434 -0.261 0.177 1.00 0.00 H ATOM 114 HB2 TRP A 6 -1.720 0.559 -0.441 1.00 0.00 H ATOM 115 HB3 TRP A 6 -1.212 1.491 0.987 1.00 0.00 H ATOM 116 HE1 TRP A 6 -2.306 4.453 -3.291 1.00 0.00 H ATOM 117 HD1 TRP A 6 -1.935 1.940 -2.822 1.00 0.00 H ATOM 118 HZ2 TRP A 6 -2.237 6.864 -1.840 1.00 0.00 H ATOM 119 HH2 TRP A 6 -1.689 7.727 0.444 1.00 0.00 H ATOM 120 HZ3 TRP A 6 -0.805 6.235 2.211 1.00 0.00 H ATOM 121 HE3 TRP A 6 -0.603 3.755 1.879 1.00 0.00 H ATOM 122 H TRP A 6 1.848 2.344 0.046 1.00 0.00 H ATOM 123 N ALA A 7 0.241 -0.229 -2.395 1.00 5.43 N ATOM 124 CA ALA A 7 0.350 -0.340 -3.834 1.00 5.68 C ATOM 125 C ALA A 7 -1.032 -0.240 -4.475 1.00 4.23 C ATOM 126 O ALA A 7 -1.961 -0.931 -3.986 1.00 6.63 O ATOM 127 CB ALA A 7 1.021 -1.681 -4.227 1.00 6.76 C ATOM 128 HA ALA A 7 0.971 0.479 -4.198 1.00 0.00 H ATOM 129 HB1 ALA A 7 2.019 -1.728 -3.791 1.00 0.00 H ATOM 130 HB2 ALA A 7 0.420 -2.510 -3.852 1.00 0.00 H ATOM 131 HB3 ALA A 7 1.094 -1.745 -5.313 1.00 0.00 H ATOM 132 H ALA A 7 -0.321 -0.949 -1.898 1.00 0.00 H ATOM 133 N GLN A 8 -1.241 0.593 -5.474 1.00 4.51 N ATOM 134 CA GLN A 8 -2.545 0.811 -6.044 1.00 4.27 C ATOM 135 C GLN A 8 -2.459 0.733 -7.574 1.00 4.10 C ATOM 136 O GLN A 8 -1.458 1.157 -8.150 1.00 4.75 O ATOM 137 CB GLN A 8 -3.120 2.210 -5.675 1.00 4.91 C ATOM 138 CG GLN A 8 -2.249 3.397 -6.150 1.00 6.16 C ATOM 139 CD GLN A 8 -2.947 4.696 -5.919 1.00 6.55 C ATOM 140 OE1 GLN A 8 -2.839 5.266 -4.832 1.00 8.54 O ATOM 141 NE2 GLN A 8 -3.717 5.174 -6.876 1.00 7.47 N ATOM 142 HA GLN A 8 -3.201 0.040 -5.641 1.00 0.00 H ATOM 143 HB2 GLN A 8 -4.106 2.306 -6.129 1.00 0.00 H ATOM 144 HB3 GLN A 8 -3.214 2.267 -4.591 1.00 0.00 H ATOM 145 HG2 GLN A 8 -1.309 3.394 -5.598 1.00 0.00 H ATOM 146 HG3 GLN A 8 -2.044 3.286 -7.215 1.00 0.00 H ATOM 147 HE22 GLN A 8 -3.790 4.672 -7.784 1.00 0.00 H ATOM 148 HE21 GLN A 8 -4.252 6.053 -6.723 1.00 0.00 H ATOM 149 H GLN A 8 -0.431 1.114 -5.867 1.00 0.00 H ATOM 150 N ALA A 9 -3.568 0.367 -8.194 1.00 5.67 N ATOM 151 CA ALA A 9 -3.794 0.650 -9.622 1.00 4.98 C ATOM 152 C ALA A 9 -3.889 2.137 -9.767 1.00 5.55 C ATOM 153 O ALA A 9 -4.210 2.888 -8.784 1.00 5.72 O ATOM 154 CB ALA A 9 -5.051 -0.039 -10.065 1.00 7.22 C ATOM 155 HA ALA A 9 -2.983 0.279 -10.248 1.00 0.00 H ATOM 156 HB1 ALA A 9 -4.947 -1.114 -9.915 1.00 0.00 H ATOM 157 HB2 ALA A 9 -5.892 0.331 -9.479 1.00 0.00 H ATOM 158 HB3 ALA A 9 -5.224 0.167 -11.121 1.00 0.00 H ATOM 159 H ALA A 9 -4.303 -0.136 -7.657 1.00 0.00 H ATOM 160 N THR A 10 -3.793 2.642 -10.996 1.00 6.97 N ATOM 161 CA THR A 10 -4.003 4.062 -11.238 1.00 7.16 C ATOM 162 C THR A 10 -5.308 4.571 -10.670 1.00 7.30 C ATOM 163 O THR A 10 -5.345 5.681 -10.162 1.00 8.94 O ATOM 164 CB THR A 10 -3.992 4.260 -12.746 1.00 6.58 C ATOM 165 OG1 THR A 10 -2.723 3.802 -13.223 1.00 8.69 O ATOM 166 CG2 THR A 10 -4.170 5.730 -13.133 1.00 9.96 C ATOM 167 HA THR A 10 -3.214 4.626 -10.740 1.00 0.00 H ATOM 168 HB THR A 10 -4.821 3.706 -13.186 1.00 0.00 H ATOM 169 HG1 THR A 10 -2.002 4.329 -12.797 1.00 0.00 H ATOM 170 HG23 THR A 10 -5.135 6.085 -12.772 1.00 0.00 H ATOM 171 HG21 THR A 10 -3.373 6.322 -12.683 1.00 0.00 H ATOM 172 HG22 THR A 10 -4.128 5.826 -14.218 1.00 0.00 H ATOM 173 H THR A 10 -3.565 2.014 -11.793 1.00 0.00 H ATOM 174 N SER A 11 -6.363 3.747 -10.704 1.00 6.12 N ATOM 175 CA SER A 11 -7.688 4.164 -10.230 1.00 6.68 C ATOM 176 C SER A 11 -7.805 4.316 -8.732 1.00 6.60 C ATOM 177 O SER A 11 -8.808 4.830 -8.225 1.00 8.32 O ATOM 178 CB SER A 11 -8.675 3.098 -10.646 1.00 7.05 C ATOM 179 OG SER A 11 -8.337 1.894 -10.005 1.00 6.85 O ATOM 180 HA SER A 11 -7.878 5.145 -10.665 1.00 0.00 H ATOM 181 HB2 SER A 11 -8.634 2.962 -11.727 1.00 0.00 H ATOM 182 HB3 SER A 11 -9.682 3.398 -10.356 1.00 0.00 H ATOM 183 HG SER A 11 -8.978 1.188 -10.271 1.00 0.00 H ATOM 184 H SER A 11 -6.240 2.784 -11.077 1.00 0.00 H ATOM 185 N GLY A 12 -6.870 3.786 -7.995 1.00 6.08 N ATOM 186 CA GLY A 12 -6.964 3.709 -6.555 1.00 8.37 C ATOM 187 C GLY A 12 -7.285 2.351 -5.983 1.00 6.39 C ATOM 188 O GLY A 12 -7.180 2.135 -4.774 1.00 6.64 O ATOM 189 HA3 GLY A 12 -7.745 4.399 -6.235 1.00 0.00 H ATOM 190 HA2 GLY A 12 -6.007 4.027 -6.141 1.00 0.00 H ATOM 191 H GLY A 12 -6.023 3.403 -8.461 1.00 0.00 H ATOM 192 N VAL A 13 -7.594 1.373 -6.859 1.00 5.68 N ATOM 193 CA VAL A 13 -7.905 0.008 -6.342 1.00 5.64 C ATOM 194 C VAL A 13 -6.621 -0.581 -5.715 1.00 4.64 C ATOM 195 O VAL A 13 -5.564 -0.692 -6.411 1.00 6.31 O ATOM 196 CB VAL A 13 -8.399 -0.859 -7.504 1.00 6.37 C ATOM 197 CG1 VAL A 13 -8.526 -2.362 -7.070 1.00 8.54 C ATOM 198 CG2 VAL A 13 -9.777 -0.320 -7.884 1.00 8.64 C ATOM 199 HA VAL A 13 -8.685 0.043 -5.581 1.00 0.00 H ATOM 200 HB VAL A 13 -7.699 -0.818 -8.338 1.00 0.00 H ATOM 201 HG11 VAL A 13 -7.552 -2.730 -6.748 1.00 0.00 H ATOM 202 HG12 VAL A 13 -9.236 -2.442 -6.247 1.00 0.00 H ATOM 203 HG13 VAL A 13 -8.879 -2.954 -7.914 1.00 0.00 H ATOM 204 HG21 VAL A 13 -10.445 -0.397 -7.026 1.00 0.00 H ATOM 205 HG22 VAL A 13 -9.687 0.724 -8.184 1.00 0.00 H ATOM 206 HG23 VAL A 13 -10.179 -0.904 -8.712 1.00 0.00 H ATOM 207 H VAL A 13 -7.615 1.567 -7.880 1.00 0.00 H ATOM 208 N ILE A 14 -6.704 -1.144 -4.513 1.00 5.59 N ATOM 209 CA ILE A 14 -5.613 -1.840 -3.840 1.00 6.12 C ATOM 210 C ILE A 14 -5.876 -3.291 -3.664 1.00 5.96 C ATOM 211 O ILE A 14 -4.932 -4.060 -3.474 1.00 9.67 O ATOM 212 CB ILE A 14 -5.161 -1.188 -2.534 1.00 7.46 C ATOM 213 CG1 ILE A 14 -6.153 -1.289 -1.417 1.00 9.39 C ATOM 214 CG2 ILE A 14 -4.799 0.278 -2.810 1.00 9.07 C ATOM 215 CD1 ILE A 14 -5.553 -0.735 -0.080 1.00 13.94 C ATOM 216 HA ILE A 14 -4.771 -1.742 -4.525 1.00 0.00 H ATOM 217 HB ILE A 14 -4.290 -1.744 -2.186 1.00 0.00 H ATOM 218 HG12 ILE A 14 -7.041 -0.712 -1.675 1.00 0.00 H ATOM 219 HG13 ILE A 14 -6.428 -2.334 -1.278 1.00 0.00 H ATOM 220 HD11 ILE A 14 -4.667 -1.312 0.186 1.00 0.00 H ATOM 221 HD12 ILE A 14 -5.280 0.312 -0.212 1.00 0.00 H ATOM 222 HD13 ILE A 14 -6.296 -0.821 0.713 1.00 0.00 H ATOM 223 HG21 ILE A 14 -3.993 0.320 -3.542 1.00 0.00 H ATOM 224 HG22 ILE A 14 -5.673 0.800 -3.200 1.00 0.00 H ATOM 225 HG23 ILE A 14 -4.475 0.752 -1.883 1.00 0.00 H ATOM 226 H ILE A 14 -7.615 -1.083 -4.015 1.00 0.00 H ATOM 227 N GLY A 15 -7.166 -3.709 -3.770 1.00 6.71 N ATOM 228 CA GLY A 15 -7.476 -5.067 -3.566 1.00 7.38 C ATOM 229 C GLY A 15 -8.841 -5.351 -4.211 1.00 7.15 C ATOM 230 O GLY A 15 -9.685 -4.459 -4.289 1.00 6.85 O ATOM 231 HA3 GLY A 15 -7.521 -5.279 -2.498 1.00 0.00 H ATOM 232 HA2 GLY A 15 -6.712 -5.693 -4.027 1.00 0.00 H ATOM 233 H GLY A 15 -7.919 -3.029 -4.000 1.00 0.00 H ATOM 234 N ARG A 16 -9.064 -6.569 -4.728 1.00 8.06 N ATOM 235 CA ARG A 16 -10.350 -6.965 -5.295 1.00 9.14 C ATOM 236 C ARG A 16 -10.461 -8.453 -5.030 1.00 9.05 C ATOM 237 O ARG A 16 -9.588 -9.223 -5.297 1.00 10.13 O ATOM 238 CB ARG A 16 -10.358 -6.674 -6.789 1.00 9.17 C ATOM 239 CG ARG A 16 -11.629 -7.164 -7.430 1.00 10.67 C ATOM 240 CD ARG A 16 -11.701 -6.656 -8.870 1.00 11.48 C ATOM 241 NE ARG A 16 -11.912 -5.178 -8.894 1.00 9.36 N ATOM 242 CZ ARG A 16 -11.794 -4.469 -10.022 1.00 9.00 C ATOM 243 NH1 ARG A 16 -11.448 -5.088 -11.166 1.00 11.82 N ATOM 244 NH2 ARG A 16 -11.920 -3.170 -10.019 1.00 9.61 N ATOM 245 HA ARG A 16 -11.188 -6.422 -4.858 1.00 0.00 H ATOM 246 HB2 ARG A 16 -10.273 -5.598 -6.943 1.00 0.00 H ATOM 247 HB3 ARG A 16 -9.509 -7.174 -7.254 1.00 0.00 H ATOM 248 HG2 ARG A 16 -11.641 -8.254 -7.428 1.00 0.00 H ATOM 249 HG3 ARG A 16 -12.486 -6.791 -6.869 1.00 0.00 H ATOM 250 HD2 ARG A 16 -12.530 -7.145 -9.382 1.00 0.00 H ATOM 251 HD3 ARG A 16 -10.768 -6.894 -9.381 1.00 0.00 H ATOM 252 HE ARG A 16 -12.157 -4.687 -8.011 1.00 0.00 H ATOM 253 HH12 ARG A 16 -11.355 -4.541 -12.046 1.00 0.00 H ATOM 254 HH11 ARG A 16 -11.274 -6.113 -11.170 1.00 0.00 H ATOM 255 HH22 ARG A 16 -11.825 -2.636 -10.907 1.00 0.00 H ATOM 256 HH21 ARG A 16 -12.116 -2.669 -9.129 1.00 0.00 H ATOM 257 H ARG A 16 -8.287 -7.261 -4.725 1.00 0.00 H ATOM 258 N GLY A 17 -11.613 -8.841 -4.508 1.00 11.52 N ATOM 259 CA GLY A 17 -11.877 -10.274 -4.265 1.00 13.45 C ATOM 260 C GLY A 17 -10.906 -10.864 -3.261 1.00 13.30 C ATOM 261 O GLY A 17 -10.737 -12.094 -3.229 1.00 20.52 O ATOM 262 HA3 GLY A 17 -11.783 -10.815 -5.207 1.00 0.00 H ATOM 263 HA2 GLY A 17 -12.892 -10.386 -3.883 1.00 0.00 H ATOM 264 H GLY A 17 -12.336 -8.134 -4.267 1.00 0.00 H ATOM 265 N GLY A 18 -10.370 -10.057 -2.390 1.00 12.04 N ATOM 266 CA GLY A 18 -9.445 -10.526 -1.410 1.00 12.68 C ATOM 267 C GLY A 18 -8.023 -10.747 -1.930 1.00 12.12 C ATOM 268 O GLY A 18 -7.198 -11.243 -1.176 1.00 14.69 O ATOM 269 HA3 GLY A 18 -9.815 -11.474 -1.019 1.00 0.00 H ATOM 270 HA2 GLY A 18 -9.403 -9.793 -0.604 1.00 0.00 H ATOM 271 H GLY A 18 -10.622 -9.048 -2.409 1.00 0.00 H ATOM 272 N ASP A 19 -7.741 -10.356 -3.148 1.00 10.20 N ATOM 273 CA ASP A 19 -6.422 -10.507 -3.760 1.00 10.39 C ATOM 274 C ASP A 19 -5.820 -9.165 -4.227 1.00 9.15 C ATOM 275 O ASP A 19 -6.491 -8.187 -4.550 1.00 10.27 O ATOM 276 CB ASP A 19 -6.570 -11.413 -4.976 1.00 10.63 C ATOM 277 CG ASP A 19 -6.737 -12.866 -4.622 1.00 10.32 C ATOM 278 OD1 ASP A 19 -6.065 -13.318 -3.707 1.00 13.80 O ATOM 279 OD2 ASP A 19 -7.560 -13.494 -5.320 1.00 16.22 O ATOM 280 HA ASP A 19 -5.751 -10.924 -3.009 1.00 0.00 H ATOM 281 HB2 ASP A 19 -7.445 -11.092 -5.542 1.00 0.00 H ATOM 282 HB3 ASP A 19 -5.679 -11.308 -5.596 1.00 0.00 H ATOM 283 H ASP A 19 -8.496 -9.914 -3.710 1.00 0.00 H ATOM 284 N ILE A 20 -4.511 -9.146 -4.231 1.00 8.71 N ATOM 285 CA ILE A 20 -3.734 -8.067 -4.894 1.00 8.41 C ATOM 286 C ILE A 20 -4.078 -8.307 -6.423 1.00 8.32 C ATOM 287 O ILE A 20 -3.834 -9.415 -6.993 1.00 8.47 O ATOM 288 CB ILE A 20 -2.237 -8.242 -4.734 1.00 9.86 C ATOM 289 CG1 ILE A 20 -1.861 -8.269 -3.242 1.00 11.65 C ATOM 290 CG2 ILE A 20 -1.481 -7.177 -5.544 1.00 10.38 C ATOM 291 CD1 ILE A 20 -0.391 -8.706 -3.015 1.00 11.40 C ATOM 292 HA ILE A 20 -3.979 -7.086 -4.486 1.00 0.00 H ATOM 293 HB ILE A 20 -1.931 -9.204 -5.144 1.00 0.00 H ATOM 294 HG12 ILE A 20 -1.998 -7.270 -2.827 1.00 0.00 H ATOM 295 HG13 ILE A 20 -2.519 -8.969 -2.727 1.00 0.00 H ATOM 296 HD11 ILE A 20 -0.244 -9.708 -3.419 1.00 0.00 H ATOM 297 HD12 ILE A 20 0.276 -8.008 -3.520 1.00 0.00 H ATOM 298 HD13 ILE A 20 -0.175 -8.709 -1.947 1.00 0.00 H ATOM 299 HG21 ILE A 20 -1.739 -7.274 -6.599 1.00 0.00 H ATOM 300 HG22 ILE A 20 -1.762 -6.185 -5.189 1.00 0.00 H ATOM 301 HG23 ILE A 20 -0.408 -7.319 -5.416 1.00 0.00 H ATOM 302 H ILE A 20 -3.997 -9.913 -3.753 1.00 0.00 H ATOM 303 N PRO A 21 -4.525 -7.323 -7.183 1.00 9.63 N ATOM 304 CA PRO A 21 -4.977 -7.576 -8.540 1.00 9.51 C ATOM 305 C PRO A 21 -3.875 -7.653 -9.669 1.00 8.88 C ATOM 306 O PRO A 21 -4.193 -7.321 -10.857 1.00 12.64 O ATOM 307 CB PRO A 21 -5.919 -6.371 -8.816 1.00 14.79 C ATOM 308 CG PRO A 21 -6.075 -5.761 -7.535 1.00 12.75 C ATOM 309 CD PRO A 21 -4.874 -5.977 -6.715 1.00 12.85 C ATOM 310 HA PRO A 21 -5.422 -8.570 -8.586 1.00 0.00 H ATOM 311 HD3 PRO A 21 -4.091 -5.251 -6.934 1.00 0.00 H ATOM 312 HD2 PRO A 21 -5.097 -5.958 -5.648 1.00 0.00 H ATOM 313 HG3 PRO A 21 -6.937 -6.198 -7.031 1.00 0.00 H ATOM 314 HG2 PRO A 21 -6.235 -4.690 -7.664 1.00 0.00 H ATOM 315 HB2 PRO A 21 -5.466 -5.677 -9.524 1.00 0.00 H ATOM 316 HB3 PRO A 21 -6.879 -6.709 -9.205 1.00 0.00 H ATOM 317 N TRP A 22 -2.669 -7.960 -9.294 1.00 7.31 N ATOM 318 CA TRP A 22 -1.490 -7.974 -10.212 1.00 8.68 C ATOM 319 C TRP A 22 -0.437 -8.768 -9.497 1.00 8.37 C ATOM 320 O TRP A 22 -0.536 -9.087 -8.305 1.00 9.37 O ATOM 321 CB TRP A 22 -1.017 -6.574 -10.608 1.00 6.96 C ATOM 322 CG TRP A 22 -0.674 -5.756 -9.336 1.00 6.12 C ATOM 323 CD1 TRP A 22 0.382 -5.935 -8.466 1.00 7.14 C ATOM 324 CD2 TRP A 22 -1.563 -4.757 -8.741 1.00 6.45 C ATOM 325 NE1 TRP A 22 0.257 -5.029 -7.389 1.00 6.89 N ATOM 326 CE2 TRP A 22 -0.953 -4.337 -7.528 1.00 6.16 C ATOM 327 CE3 TRP A 22 -2.776 -4.167 -9.126 1.00 7.88 C ATOM 328 CZ2 TRP A 22 -1.544 -3.418 -6.679 1.00 6.42 C ATOM 329 CZ3 TRP A 22 -3.332 -3.244 -8.300 1.00 8.67 C ATOM 330 CH2 TRP A 22 -2.726 -2.866 -7.088 1.00 7.75 C ATOM 331 HA TRP A 22 -1.745 -8.429 -11.169 1.00 0.00 H ATOM 332 HB2 TRP A 22 -0.130 -6.656 -11.236 1.00 0.00 H ATOM 333 HB3 TRP A 22 -1.808 -6.068 -11.162 1.00 0.00 H ATOM 334 HE1 TRP A 22 0.947 -4.898 -6.622 1.00 0.00 H ATOM 335 HD1 TRP A 22 1.186 -6.661 -8.590 1.00 0.00 H ATOM 336 HZ2 TRP A 22 -1.088 -3.146 -5.727 1.00 0.00 H ATOM 337 HH2 TRP A 22 -3.209 -2.117 -6.461 1.00 0.00 H ATOM 338 HZ3 TRP A 22 -4.277 -2.782 -8.585 1.00 0.00 H ATOM 339 HE3 TRP A 22 -3.259 -4.442 -10.063 1.00 0.00 H ATOM 340 H TRP A 22 -2.516 -8.211 -8.296 1.00 0.00 H ATOM 341 N ARG A 23 0.596 -9.115 -10.257 1.00 8.65 N ATOM 342 CA ARG A 23 1.776 -9.775 -9.750 1.00 9.55 C ATOM 343 C ARG A 23 2.969 -8.845 -9.993 1.00 9.30 C ATOM 344 O ARG A 23 3.244 -8.435 -11.172 1.00 9.46 O ATOM 345 CB ARG A 23 2.069 -11.052 -10.524 1.00 14.47 C ATOM 346 CG ARG A 23 1.230 -12.139 -10.032 1.00 19.01 C ATOM 347 CD ARG A 23 1.950 -13.462 -10.392 1.00 25.96 C ATOM 348 NE ARG A 23 0.889 -14.404 -10.464 1.00 26.80 N ATOM 349 CZ ARG A 23 1.048 -15.662 -10.778 1.00 28.33 C ATOM 350 NH1 ARG A 23 -0.045 -16.420 -10.836 1.00 34.95 N ATOM 351 NH2 ARG A 23 2.274 -16.123 -11.053 1.00 24.35 N ATOM 352 HA ARG A 23 1.617 -10.008 -8.697 1.00 0.00 H ATOM 353 HB2 ARG A 23 1.864 -10.888 -11.582 1.00 0.00 H ATOM 354 HB3 ARG A 23 3.118 -11.319 -10.396 1.00 0.00 H ATOM 355 HG2 ARG A 23 1.109 -12.060 -8.952 1.00 0.00 H ATOM 356 HG3 ARG A 23 0.251 -12.103 -10.510 1.00 0.00 H ATOM 357 HD2 ARG A 23 2.667 -13.739 -9.619 1.00 0.00 H ATOM 358 HD3 ARG A 23 2.464 -13.379 -11.350 1.00 0.00 H ATOM 359 HE ARG A 23 -0.074 -14.072 -10.254 1.00 0.00 H ATOM 360 HH12 ARG A 23 0.033 -17.427 -11.082 1.00 0.00 H ATOM 361 HH11 ARG A 23 -0.977 -16.005 -10.635 1.00 0.00 H ATOM 362 HH22 ARG A 23 2.409 -17.123 -11.304 1.00 0.00 H ATOM 363 HH21 ARG A 23 3.091 -15.481 -11.016 1.00 0.00 H ATOM 364 H ARG A 23 0.552 -8.899 -11.273 1.00 0.00 H ATOM 365 N LEU A 24 3.669 -8.476 -8.930 1.00 8.40 N ATOM 366 CA LEU A 24 4.707 -7.466 -9.077 1.00 6.96 C ATOM 367 C LEU A 24 5.805 -7.719 -8.023 1.00 6.60 C ATOM 368 O LEU A 24 5.796 -7.116 -6.922 1.00 6.83 O ATOM 369 CB LEU A 24 4.149 -6.031 -8.998 1.00 7.21 C ATOM 370 CG LEU A 24 5.083 -4.871 -9.212 1.00 6.99 C ATOM 371 CD1 LEU A 24 5.864 -4.923 -10.556 1.00 9.02 C ATOM 372 CD2 LEU A 24 4.303 -3.554 -9.170 1.00 9.23 C ATOM 373 HA LEU A 24 5.140 -7.553 -10.073 1.00 0.00 H ATOM 374 HB2 LEU A 24 3.364 -5.952 -9.750 1.00 0.00 H ATOM 375 HB3 LEU A 24 3.714 -5.912 -8.006 1.00 0.00 H ATOM 376 HG LEU A 24 5.813 -4.936 -8.405 1.00 0.00 H ATOM 377 HD21 LEU A 24 3.547 -3.556 -9.955 1.00 0.00 H ATOM 378 HD22 LEU A 24 3.819 -3.451 -8.199 1.00 0.00 H ATOM 379 HD23 LEU A 24 4.989 -2.722 -9.326 1.00 0.00 H ATOM 380 HD11 LEU A 24 6.466 -5.831 -10.590 1.00 0.00 H ATOM 381 HD12 LEU A 24 5.157 -4.923 -11.386 1.00 0.00 H ATOM 382 HD13 LEU A 24 6.514 -4.051 -10.631 1.00 0.00 H ATOM 383 H LEU A 24 3.479 -8.903 -8.001 1.00 0.00 H ATOM 384 N PRO A 25 6.730 -8.617 -8.300 1.00 6.53 N ATOM 385 CA PRO A 25 7.748 -8.886 -7.298 1.00 7.73 C ATOM 386 C PRO A 25 8.577 -7.676 -6.904 1.00 6.86 C ATOM 387 O PRO A 25 9.035 -7.550 -5.742 1.00 8.34 O ATOM 388 CB PRO A 25 8.621 -9.991 -7.945 1.00 9.88 C ATOM 389 CG PRO A 25 7.970 -10.392 -9.202 1.00 10.16 C ATOM 390 CD PRO A 25 6.777 -9.506 -9.480 1.00 8.08 C ATOM 391 HA PRO A 25 7.293 -9.185 -6.354 1.00 0.00 H ATOM 392 HD3 PRO A 25 6.921 -8.933 -10.396 1.00 0.00 H ATOM 393 HD2 PRO A 25 5.864 -10.095 -9.562 1.00 0.00 H ATOM 394 HG3 PRO A 25 7.639 -11.427 -9.122 1.00 0.00 H ATOM 395 HG2 PRO A 25 8.683 -10.303 -10.021 1.00 0.00 H ATOM 396 HB2 PRO A 25 9.619 -9.604 -8.150 1.00 0.00 H ATOM 397 HB3 PRO A 25 8.695 -10.847 -7.275 1.00 0.00 H ATOM 398 N GLU A 26 8.774 -6.705 -7.813 1.00 6.98 N ATOM 399 CA GLU A 26 9.527 -5.542 -7.483 1.00 6.66 C ATOM 400 C GLU A 26 8.825 -4.730 -6.384 1.00 5.86 C ATOM 401 O GLU A 26 9.478 -4.065 -5.578 1.00 6.94 O ATOM 402 CB GLU A 26 9.730 -4.653 -8.681 1.00 7.87 C ATOM 403 CG GLU A 26 10.668 -5.259 -9.733 1.00 10.38 C ATOM 404 CD GLU A 26 10.053 -6.265 -10.679 1.00 7.70 C ATOM 405 OE1 GLU A 26 8.932 -6.814 -10.519 1.00 8.57 O ATOM 406 OE2 GLU A 26 10.768 -6.669 -11.631 1.00 11.50 O ATOM 407 HA GLU A 26 10.498 -5.887 -7.127 1.00 0.00 H ATOM 408 HB2 GLU A 26 8.761 -4.470 -9.145 1.00 0.00 H ATOM 409 HB3 GLU A 26 10.154 -3.707 -8.343 1.00 0.00 H ATOM 410 HG2 GLU A 26 11.068 -4.441 -10.332 1.00 0.00 H ATOM 411 HG3 GLU A 26 11.483 -5.754 -9.206 1.00 0.00 H ATOM 412 H GLU A 26 8.372 -6.804 -8.767 1.00 0.00 H ATOM 413 N ASP A 27 7.463 -4.779 -6.317 1.00 5.81 N ATOM 414 CA ASP A 27 6.761 -4.099 -5.239 1.00 5.64 C ATOM 415 C ASP A 27 6.985 -4.867 -3.895 1.00 5.27 C ATOM 416 O ASP A 27 7.063 -4.241 -2.833 1.00 5.97 O ATOM 417 CB ASP A 27 5.273 -4.000 -5.539 1.00 6.43 C ATOM 418 CG ASP A 27 4.573 -3.315 -4.363 1.00 5.47 C ATOM 419 OD1 ASP A 27 4.882 -2.146 -4.001 1.00 7.09 O ATOM 420 OD2 ASP A 27 3.783 -4.042 -3.741 1.00 7.18 O ATOM 421 HA ASP A 27 7.160 -3.088 -5.150 1.00 0.00 H ATOM 422 HB2 ASP A 27 5.121 -3.415 -6.446 1.00 0.00 H ATOM 423 HB3 ASP A 27 4.861 -4.999 -5.679 1.00 0.00 H ATOM 424 H ASP A 27 6.926 -5.303 -7.037 1.00 0.00 H ATOM 425 N GLN A 28 7.117 -6.185 -3.949 1.00 6.10 N ATOM 426 CA GLN A 28 7.491 -6.940 -2.755 1.00 6.41 C ATOM 427 C GLN A 28 8.832 -6.423 -2.231 1.00 6.12 C ATOM 428 O GLN A 28 9.016 -6.257 -1.048 1.00 6.07 O ATOM 429 CB GLN A 28 7.461 -8.437 -3.024 1.00 7.74 C ATOM 430 CG GLN A 28 6.120 -9.034 -3.370 1.00 7.93 C ATOM 431 CD GLN A 28 6.247 -10.488 -3.693 1.00 9.88 C ATOM 432 OE1 GLN A 28 6.295 -10.895 -4.896 1.00 12.38 O ATOM 433 NE2 GLN A 28 6.432 -11.296 -2.646 1.00 11.81 N ATOM 434 HA GLN A 28 6.760 -6.782 -1.962 1.00 0.00 H ATOM 435 HB2 GLN A 28 8.137 -8.638 -3.855 1.00 0.00 H ATOM 436 HB3 GLN A 28 7.827 -8.941 -2.130 1.00 0.00 H ATOM 437 HG2 GLN A 28 5.447 -8.915 -2.521 1.00 0.00 H ATOM 438 HG3 GLN A 28 5.709 -8.511 -4.234 1.00 0.00 H ATOM 439 HE22 GLN A 28 6.383 -10.915 -1.680 1.00 0.00 H ATOM 440 HE21 GLN A 28 6.625 -12.307 -2.797 1.00 0.00 H ATOM 441 H GLN A 28 6.953 -6.685 -4.846 1.00 0.00 H ATOM 442 N ALA A 29 9.793 -6.278 -3.174 1.00 5.73 N ATOM 443 CA ALA A 29 11.131 -5.836 -2.786 1.00 6.22 C ATOM 444 C ALA A 29 11.080 -4.384 -2.227 1.00 5.14 C ATOM 445 O ALA A 29 11.750 -4.054 -1.233 1.00 6.86 O ATOM 446 CB ALA A 29 12.132 -5.910 -3.937 1.00 6.39 C ATOM 447 HA ALA A 29 11.475 -6.520 -2.010 1.00 0.00 H ATOM 448 HB1 ALA A 29 12.208 -6.940 -4.285 1.00 0.00 H ATOM 449 HB2 ALA A 29 11.793 -5.273 -4.754 1.00 0.00 H ATOM 450 HB3 ALA A 29 13.108 -5.570 -3.591 1.00 0.00 H ATOM 451 H ALA A 29 9.580 -6.481 -4.171 1.00 0.00 H ATOM 452 N HIS A 30 10.258 -3.527 -2.848 1.00 4.98 N ATOM 453 CA HIS A 30 10.152 -2.156 -2.397 1.00 4.63 C ATOM 454 C HIS A 30 9.493 -2.108 -0.967 1.00 5.31 C ATOM 455 O HIS A 30 9.953 -1.382 -0.078 1.00 5.76 O ATOM 456 CB HIS A 30 9.314 -1.347 -3.379 1.00 6.27 C ATOM 457 CG HIS A 30 9.152 0.078 -2.970 1.00 6.27 C ATOM 458 ND1 HIS A 30 10.219 0.869 -2.717 1.00 8.54 N ATOM 459 CD2 HIS A 30 8.052 0.851 -2.821 1.00 8.12 C ATOM 460 CE1 HIS A 30 9.796 2.067 -2.394 1.00 10.11 C ATOM 461 NE2 HIS A 30 8.488 2.055 -2.443 1.00 10.95 N ATOM 462 HA HIS A 30 11.152 -1.725 -2.343 1.00 0.00 H ATOM 463 HB2 HIS A 30 9.798 -1.376 -4.355 1.00 0.00 H ATOM 464 HB3 HIS A 30 8.326 -1.803 -3.451 1.00 0.00 H ATOM 465 HD2 HIS A 30 7.016 0.551 -2.978 1.00 0.00 H ATOM 466 HE1 HIS A 30 10.421 2.920 -2.132 1.00 0.00 H ATOM 467 H HIS A 30 9.693 -3.849 -3.659 1.00 0.00 H ATOM 468 N PHE A 31 8.447 -2.878 -0.768 1.00 5.79 N ATOM 469 CA PHE A 31 7.802 -2.959 0.519 1.00 5.71 C ATOM 470 C PHE A 31 8.781 -3.389 1.585 1.00 6.15 C ATOM 471 O PHE A 31 8.846 -2.764 2.659 1.00 6.19 O ATOM 472 CB PHE A 31 6.606 -3.915 0.442 1.00 7.12 C ATOM 473 CG PHE A 31 5.974 -4.207 1.743 1.00 5.54 C ATOM 474 CD1 PHE A 31 5.042 -3.288 2.291 1.00 6.93 C ATOM 475 CD2 PHE A 31 6.275 -5.395 2.433 1.00 7.44 C ATOM 476 CE1 PHE A 31 4.468 -3.521 3.574 1.00 7.57 C ATOM 477 CE2 PHE A 31 5.639 -5.638 3.653 1.00 8.52 C ATOM 478 CZ PHE A 31 4.807 -4.725 4.239 1.00 7.78 C ATOM 479 HA PHE A 31 7.436 -1.970 0.794 1.00 0.00 H ATOM 480 HB2 PHE A 31 5.855 -3.470 -0.210 1.00 0.00 H ATOM 481 HB3 PHE A 31 6.948 -4.856 0.010 1.00 0.00 H ATOM 482 HD2 PHE A 31 6.989 -6.110 2.025 1.00 0.00 H ATOM 483 HE2 PHE A 31 5.812 -6.590 4.156 1.00 0.00 H ATOM 484 HZ PHE A 31 4.400 -4.926 5.230 1.00 0.00 H ATOM 485 HE1 PHE A 31 3.791 -2.798 4.028 1.00 0.00 H ATOM 486 HD1 PHE A 31 4.763 -2.398 1.727 1.00 0.00 H ATOM 487 H PHE A 31 8.075 -3.443 -1.558 1.00 0.00 H ATOM 488 N ARG A 32 9.561 -4.392 1.262 1.00 6.69 N ATOM 489 CA ARG A 32 10.555 -4.915 2.213 1.00 7.67 C ATOM 490 C ARG A 32 11.568 -3.798 2.496 1.00 8.30 C ATOM 491 O ARG A 32 11.932 -3.584 3.641 1.00 9.70 O ATOM 492 CB ARG A 32 11.274 -6.147 1.631 1.00 9.64 C ATOM 493 CG ARG A 32 12.173 -6.920 2.567 1.00 15.28 C ATOM 494 CD ARG A 32 12.815 -8.108 1.778 1.00 17.21 C ATOM 495 NE ARG A 32 12.051 -8.524 0.506 1.00 37.90 N ATOM 496 CZ ARG A 32 12.440 -8.476 -0.822 1.00 30.10 C ATOM 497 NH1 ARG A 32 11.548 -8.905 -1.759 1.00 21.17 N ATOM 498 NH2 ARG A 32 13.697 -8.011 -1.265 1.00 26.13 N ATOM 499 HA ARG A 32 10.060 -5.226 3.133 1.00 0.00 H ATOM 500 HB2 ARG A 32 10.509 -6.833 1.267 1.00 0.00 H ATOM 501 HB3 ARG A 32 11.884 -5.808 0.794 1.00 0.00 H ATOM 502 HG2 ARG A 32 12.957 -6.265 2.947 1.00 0.00 H ATOM 503 HG3 ARG A 32 11.588 -7.307 3.402 1.00 0.00 H ATOM 504 HD2 ARG A 32 12.863 -8.971 2.443 1.00 0.00 H ATOM 505 HD3 ARG A 32 13.825 -7.817 1.488 1.00 0.00 H ATOM 506 HE ARG A 32 11.095 -8.899 0.671 1.00 0.00 H ATOM 507 HH12 ARG A 32 11.803 -8.885 -2.767 1.00 0.00 H ATOM 508 HH11 ARG A 32 10.613 -9.253 -1.466 1.00 0.00 H ATOM 509 HH22 ARG A 32 13.920 -8.004 -2.281 1.00 0.00 H ATOM 510 HH21 ARG A 32 14.400 -7.676 -0.576 1.00 0.00 H ATOM 511 H ARG A 32 9.476 -4.824 0.320 1.00 0.00 H ATOM 512 N GLU A 33 12.071 -3.096 1.492 1.00 7.71 N ATOM 513 CA GLU A 33 13.167 -2.144 1.723 1.00 9.64 C ATOM 514 C GLU A 33 12.658 -0.971 2.540 1.00 8.22 C ATOM 515 O GLU A 33 13.406 -0.496 3.385 1.00 10.97 O ATOM 516 CB GLU A 33 13.829 -1.681 0.406 1.00 12.11 C ATOM 517 CG GLU A 33 13.039 -0.680 -0.494 1.00 12.31 C ATOM 518 CD GLU A 33 13.631 -0.529 -1.889 1.00 12.43 C ATOM 519 OE1 GLU A 33 14.842 -0.867 -2.085 1.00 14.91 O ATOM 520 OE2 GLU A 33 12.896 0.029 -2.746 1.00 14.10 O ATOM 521 HA GLU A 33 13.948 -2.653 2.287 1.00 0.00 H ATOM 522 HB2 GLU A 33 14.775 -1.207 0.667 1.00 0.00 H ATOM 523 HB3 GLU A 33 14.023 -2.572 -0.191 1.00 0.00 H ATOM 524 HG2 GLU A 33 12.013 -1.036 -0.590 1.00 0.00 H ATOM 525 HG3 GLU A 33 13.040 0.296 -0.010 1.00 0.00 H ATOM 526 H GLU A 33 11.688 -3.219 0.533 1.00 0.00 H ATOM 527 N ILE A 34 11.405 -0.573 2.382 1.00 8.11 N ATOM 528 CA ILE A 34 10.914 0.555 3.172 1.00 7.65 C ATOM 529 C ILE A 34 10.706 0.130 4.619 1.00 6.23 C ATOM 530 O ILE A 34 11.005 0.918 5.536 1.00 8.54 O ATOM 531 CB ILE A 34 9.557 1.155 2.573 1.00 8.09 C ATOM 532 CG1 ILE A 34 9.821 1.827 1.240 1.00 8.94 C ATOM 533 CG2 ILE A 34 8.862 2.114 3.552 1.00 8.06 C ATOM 534 CD1 ILE A 34 10.640 3.054 1.254 1.00 9.90 C ATOM 535 HA ILE A 34 11.668 1.341 3.130 1.00 0.00 H ATOM 536 HB ILE A 34 8.872 0.322 2.414 1.00 0.00 H ATOM 537 HG12 ILE A 34 10.326 1.102 0.602 1.00 0.00 H ATOM 538 HG13 ILE A 34 8.855 2.082 0.804 1.00 0.00 H ATOM 539 HD11 ILE A 34 10.151 3.809 1.869 1.00 0.00 H ATOM 540 HD12 ILE A 34 11.623 2.828 1.667 1.00 0.00 H ATOM 541 HD13 ILE A 34 10.749 3.428 0.236 1.00 0.00 H ATOM 542 HG21 ILE A 34 8.619 1.580 4.471 1.00 0.00 H ATOM 543 HG22 ILE A 34 9.529 2.946 3.779 1.00 0.00 H ATOM 544 HG23 ILE A 34 7.946 2.494 3.098 1.00 0.00 H ATOM 545 H ILE A 34 10.779 -1.056 1.706 1.00 0.00 H ATOM 546 N THR A 35 10.222 -1.070 4.853 1.00 6.66 N ATOM 547 CA THR A 35 9.698 -1.418 6.166 1.00 6.44 C ATOM 548 C THR A 35 10.753 -2.136 7.000 1.00 7.95 C ATOM 549 O THR A 35 10.623 -2.172 8.235 1.00 8.77 O ATOM 550 CB THR A 35 8.439 -2.291 6.081 1.00 7.03 C ATOM 551 OG1 THR A 35 8.692 -3.511 5.372 1.00 7.13 O ATOM 552 CG2 THR A 35 7.238 -1.543 5.533 1.00 7.31 C ATOM 553 HA THR A 35 9.426 -0.478 6.647 1.00 0.00 H ATOM 554 HB THR A 35 8.176 -2.561 7.104 1.00 0.00 H ATOM 555 HG1 THR A 35 8.991 -3.301 4.452 1.00 0.00 H ATOM 556 HG23 THR A 35 7.090 -0.627 6.105 1.00 0.00 H ATOM 557 HG21 THR A 35 7.413 -1.295 4.486 1.00 0.00 H ATOM 558 HG22 THR A 35 6.351 -2.172 5.616 1.00 0.00 H ATOM 559 H THR A 35 10.213 -1.778 4.092 1.00 0.00 H ATOM 560 N MET A 36 11.768 -2.741 6.377 1.00 8.32 N ATOM 561 CA MET A 36 12.717 -3.589 7.151 1.00 8.57 C ATOM 562 C MET A 36 13.358 -2.810 8.304 1.00 9.05 C ATOM 563 O MET A 36 13.782 -1.647 8.160 1.00 10.84 O ATOM 564 CB MET A 36 13.786 -4.073 6.185 1.00 8.74 C ATOM 565 CG MET A 36 14.767 -5.072 6.776 1.00 9.82 C ATOM 566 SD MET A 36 13.949 -6.481 7.538 1.00 11.95 S ATOM 567 CE MET A 36 13.001 -7.208 6.272 1.00 10.92 C ATOM 568 HA MET A 36 12.182 -4.428 7.596 1.00 0.00 H ATOM 569 HB2 MET A 36 13.290 -4.544 5.337 1.00 0.00 H ATOM 570 HB3 MET A 36 14.350 -3.207 5.839 1.00 0.00 H ATOM 571 HG2 MET A 36 15.367 -4.566 7.532 1.00 0.00 H ATOM 572 HG3 MET A 36 15.418 -5.435 5.980 1.00 0.00 H ATOM 573 HE1 MET A 36 12.279 -6.482 5.898 1.00 0.00 H ATOM 574 HE2 MET A 36 13.659 -7.520 5.461 1.00 0.00 H ATOM 575 HE3 MET A 36 12.474 -8.076 6.668 1.00 0.00 H ATOM 576 H MET A 36 11.896 -2.620 5.352 1.00 0.00 H ATOM 577 N GLY A 37 13.432 -3.475 9.460 1.00 9.68 N ATOM 578 CA GLY A 37 13.993 -2.901 10.682 1.00 11.35 C ATOM 579 C GLY A 37 13.067 -2.017 11.431 1.00 9.67 C ATOM 580 O GLY A 37 13.446 -1.466 12.468 1.00 16.51 O ATOM 581 HA3 GLY A 37 14.874 -2.319 10.411 1.00 0.00 H ATOM 582 HA2 GLY A 37 14.287 -3.720 11.339 1.00 0.00 H ATOM 583 H GLY A 37 13.072 -4.450 9.492 1.00 0.00 H ATOM 584 N HIS A 38 11.861 -1.706 10.887 1.00 9.86 N ATOM 585 CA HIS A 38 10.904 -0.822 11.565 1.00 9.05 C ATOM 586 C HIS A 38 9.693 -1.599 12.046 1.00 8.60 C ATOM 587 O HIS A 38 9.637 -2.830 12.012 1.00 11.41 O ATOM 588 CB HIS A 38 10.502 0.326 10.619 1.00 9.29 C ATOM 589 CG HIS A 38 11.675 0.986 10.002 1.00 9.81 C ATOM 590 ND1 HIS A 38 12.619 1.660 10.775 1.00 13.48 N ATOM 591 CD2 HIS A 38 12.033 1.181 8.690 1.00 11.73 C ATOM 592 CE1 HIS A 38 13.591 2.139 9.947 1.00 13.15 C ATOM 593 NE2 HIS A 38 13.240 1.894 8.688 1.00 14.40 N ATOM 594 HA HIS A 38 11.378 -0.393 12.448 1.00 0.00 H ATOM 595 HB2 HIS A 38 9.870 -0.077 9.827 1.00 0.00 H ATOM 596 HB3 HIS A 38 9.941 1.068 11.187 1.00 0.00 H ATOM 597 HD2 HIS A 38 11.481 0.844 7.813 1.00 0.00 H ATOM 598 HE1 HIS A 38 14.505 2.640 10.265 1.00 0.00 H ATOM 599 H HIS A 38 11.608 -2.107 9.961 1.00 0.00 H ATOM 600 N THR A 39 8.750 -0.896 12.634 1.00 9.71 N ATOM 601 CA THR A 39 7.483 -1.479 13.071 1.00 9.39 C ATOM 602 C THR A 39 6.487 -1.468 11.923 1.00 6.71 C ATOM 603 O THR A 39 6.464 -0.505 11.139 1.00 7.95 O ATOM 604 CB THR A 39 6.905 -0.655 14.209 1.00 10.43 C ATOM 605 OG1 THR A 39 7.883 -0.791 15.244 1.00 12.99 O ATOM 606 CG2 THR A 39 5.529 -1.209 14.648 1.00 10.35 C ATOM 607 HA THR A 39 7.665 -2.502 13.400 1.00 0.00 H ATOM 608 HB THR A 39 6.723 0.385 13.939 1.00 0.00 H ATOM 609 HG1 THR A 39 7.592 -0.281 16.041 1.00 0.00 H ATOM 610 HG23 THR A 39 4.814 -1.087 13.835 1.00 0.00 H ATOM 611 HG21 THR A 39 5.626 -2.267 14.893 1.00 0.00 H ATOM 612 HG22 THR A 39 5.181 -0.662 15.524 1.00 0.00 H ATOM 613 H THR A 39 8.913 0.118 12.795 1.00 0.00 H ATOM 614 N ILE A 40 5.771 -2.559 11.710 1.00 6.77 N ATOM 615 CA ILE A 40 4.657 -2.573 10.815 1.00 6.94 C ATOM 616 C ILE A 40 3.387 -2.778 11.580 1.00 7.31 C ATOM 617 O ILE A 40 3.351 -3.621 12.501 1.00 7.76 O ATOM 618 CB ILE A 40 4.810 -3.593 9.672 1.00 7.48 C ATOM 619 CG1 ILE A 40 4.995 -5.024 10.195 1.00 8.23 C ATOM 620 CG2 ILE A 40 5.952 -3.152 8.760 1.00 7.60 C ATOM 621 CD1 ILE A 40 5.130 -5.996 9.060 1.00 9.25 C ATOM 622 HA ILE A 40 4.620 -1.599 10.328 1.00 0.00 H ATOM 623 HB ILE A 40 3.889 -3.616 9.090 1.00 0.00 H ATOM 624 HG12 ILE A 40 5.894 -5.066 10.810 1.00 0.00 H ATOM 625 HG13 ILE A 40 4.130 -5.298 10.799 1.00 0.00 H ATOM 626 HD11 ILE A 40 4.231 -5.961 8.444 1.00 0.00 H ATOM 627 HD12 ILE A 40 5.997 -5.729 8.455 1.00 0.00 H ATOM 628 HD13 ILE A 40 5.260 -7.002 9.459 1.00 0.00 H ATOM 629 HG21 ILE A 40 5.727 -2.169 8.347 1.00 0.00 H ATOM 630 HG22 ILE A 40 6.877 -3.103 9.335 1.00 0.00 H ATOM 631 HG23 ILE A 40 6.065 -3.871 7.948 1.00 0.00 H ATOM 632 H ILE A 40 6.027 -3.435 12.210 1.00 0.00 H ATOM 633 N VAL A 41 2.336 -2.076 11.207 1.00 5.43 N ATOM 634 CA VAL A 41 1.058 -2.169 11.841 1.00 5.90 C ATOM 635 C VAL A 41 0.030 -2.615 10.838 1.00 6.76 C ATOM 636 O VAL A 41 -0.031 -2.036 9.740 1.00 6.40 O ATOM 637 CB VAL A 41 0.602 -0.792 12.427 1.00 9.20 C ATOM 638 CG1 VAL A 41 -0.844 -0.836 12.926 1.00 10.47 C ATOM 639 CG2 VAL A 41 1.566 -0.287 13.525 1.00 12.30 C ATOM 640 HA VAL A 41 1.148 -2.887 12.656 1.00 0.00 H ATOM 641 HB VAL A 41 0.639 -0.072 11.609 1.00 0.00 H ATOM 642 HG11 VAL A 41 -1.505 -1.091 12.098 1.00 0.00 H ATOM 643 HG12 VAL A 41 -0.934 -1.588 13.710 1.00 0.00 H ATOM 644 HG13 VAL A 41 -1.119 0.140 13.325 1.00 0.00 H ATOM 645 HG21 VAL A 41 1.599 -1.011 14.339 1.00 0.00 H ATOM 646 HG22 VAL A 41 2.564 -0.166 13.103 1.00 0.00 H ATOM 647 HG23 VAL A 41 1.212 0.672 13.905 1.00 0.00 H ATOM 648 H VAL A 41 2.442 -1.419 10.408 1.00 0.00 H ATOM 649 N MET A 42 -0.766 -3.607 11.220 1.00 6.84 N ATOM 650 CA MET A 42 -1.848 -4.050 10.381 1.00 6.50 C ATOM 651 C MET A 42 -3.111 -4.291 11.203 1.00 6.34 C ATOM 652 O MET A 42 -3.038 -4.632 12.376 1.00 7.25 O ATOM 653 CB MET A 42 -1.456 -5.332 9.626 1.00 7.97 C ATOM 654 CG MET A 42 -1.374 -6.580 10.514 1.00 7.11 C ATOM 655 SD MET A 42 -0.474 -7.913 9.687 1.00 9.97 S ATOM 656 CE MET A 42 1.240 -7.570 10.064 1.00 13.79 C ATOM 657 HA MET A 42 -2.054 -3.264 9.655 1.00 0.00 H ATOM 658 HB2 MET A 42 -2.198 -5.513 8.849 1.00 0.00 H ATOM 659 HB3 MET A 42 -0.481 -5.174 9.166 1.00 0.00 H ATOM 660 HG2 MET A 42 -2.384 -6.921 10.743 1.00 0.00 H ATOM 661 HG3 MET A 42 -0.859 -6.324 11.440 1.00 0.00 H ATOM 662 HE1 MET A 42 1.507 -6.588 9.674 1.00 0.00 H ATOM 663 HE2 MET A 42 1.383 -7.584 11.144 1.00 0.00 H ATOM 664 HE3 MET A 42 1.871 -8.330 9.603 1.00 0.00 H ATOM 665 H MET A 42 -0.605 -4.070 12.137 1.00 0.00 H ATOM 666 N GLY A 43 -4.248 -4.277 10.542 1.00 6.45 N ATOM 667 CA GLY A 43 -5.477 -4.633 11.197 1.00 6.18 C ATOM 668 C GLY A 43 -5.564 -6.184 11.365 1.00 5.84 C ATOM 669 O GLY A 43 -4.918 -6.959 10.658 1.00 6.66 O ATOM 670 HA3 GLY A 43 -6.319 -4.287 10.598 1.00 0.00 H ATOM 671 HA2 GLY A 43 -5.513 -4.161 12.179 1.00 0.00 H ATOM 672 H GLY A 43 -4.258 -4.006 9.538 1.00 0.00 H ATOM 673 N ARG A 44 -6.458 -6.603 12.290 1.00 7.47 N ATOM 674 CA ARG A 44 -6.582 -8.010 12.579 1.00 6.83 C ATOM 675 C ARG A 44 -7.023 -8.778 11.327 1.00 7.33 C ATOM 676 O ARG A 44 -6.558 -9.911 11.126 1.00 7.26 O ATOM 677 CB ARG A 44 -7.662 -8.177 13.682 1.00 8.53 C ATOM 678 CG ARG A 44 -7.755 -9.633 14.292 1.00 9.54 C ATOM 679 CD ARG A 44 -8.722 -10.511 13.538 1.00 11.68 C ATOM 680 NE ARG A 44 -10.061 -9.976 13.607 1.00 13.41 N ATOM 681 CZ ARG A 44 -11.080 -10.393 12.854 1.00 13.14 C ATOM 682 NH1 ARG A 44 -10.960 -11.373 11.943 1.00 18.44 N ATOM 683 NH2 ARG A 44 -12.219 -9.796 13.032 1.00 20.00 N ATOM 684 HA ARG A 44 -5.620 -8.404 12.908 1.00 0.00 H ATOM 685 HB2 ARG A 44 -7.434 -7.483 14.491 1.00 0.00 H ATOM 686 HB3 ARG A 44 -8.631 -7.925 13.251 1.00 0.00 H ATOM 687 HG2 ARG A 44 -6.766 -10.091 14.258 1.00 0.00 H ATOM 688 HG3 ARG A 44 -8.084 -9.558 15.328 1.00 0.00 H ATOM 689 HD2 ARG A 44 -8.713 -11.510 13.974 1.00 0.00 H ATOM 690 HD3 ARG A 44 -8.413 -10.569 12.494 1.00 0.00 H ATOM 691 HE ARG A 44 -10.244 -9.214 14.290 1.00 0.00 H ATOM 692 HH12 ARG A 44 -11.785 -11.663 11.380 1.00 0.00 H ATOM 693 HH11 ARG A 44 -10.042 -11.842 11.801 1.00 0.00 H ATOM 694 HH22 ARG A 44 -13.048 -10.080 12.472 1.00 0.00 H ATOM 695 HH21 ARG A 44 -12.302 -9.034 13.734 1.00 0.00 H ATOM 696 H ARG A 44 -7.053 -5.913 12.791 1.00 0.00 H ATOM 697 N ARG A 45 -7.918 -8.198 10.498 1.00 7.37 N ATOM 698 CA ARG A 45 -8.382 -8.958 9.328 1.00 9.07 C ATOM 699 C ARG A 45 -7.177 -9.147 8.366 1.00 7.97 C ATOM 700 O ARG A 45 -7.085 -10.197 7.708 1.00 8.95 O ATOM 701 CB ARG A 45 -9.552 -8.243 8.642 1.00 10.25 C ATOM 702 CG ARG A 45 -10.791 -8.311 9.532 1.00 13.20 C ATOM 703 CD ARG A 45 -11.973 -7.706 8.904 1.00 20.70 C ATOM 704 NE ARG A 45 -12.524 -8.629 7.913 1.00 29.13 N ATOM 705 CZ ARG A 45 -13.419 -8.285 6.971 1.00 46.57 C ATOM 706 NH1 ARG A 45 -13.857 -7.011 6.912 1.00 45.60 N ATOM 707 NH2 ARG A 45 -13.891 -9.184 6.119 1.00 62.73 N ATOM 708 HA ARG A 45 -8.754 -9.935 9.635 1.00 0.00 H ATOM 709 HB2 ARG A 45 -9.288 -7.200 8.468 1.00 0.00 H ATOM 710 HB3 ARG A 45 -9.764 -8.727 7.688 1.00 0.00 H ATOM 711 HG2 ARG A 45 -11.008 -9.357 9.749 1.00 0.00 H ATOM 712 HG3 ARG A 45 -10.582 -7.784 10.463 1.00 0.00 H ATOM 713 HD2 ARG A 45 -11.688 -6.775 8.415 1.00 0.00 H ATOM 714 HD3 ARG A 45 -12.724 -7.500 9.666 1.00 0.00 H ATOM 715 HE ARG A 45 -12.202 -9.618 7.939 1.00 0.00 H ATOM 716 HH12 ARG A 45 -14.549 -6.732 6.188 1.00 0.00 H ATOM 717 HH11 ARG A 45 -13.502 -6.307 7.591 1.00 0.00 H ATOM 718 HH22 ARG A 45 -14.583 -8.902 5.396 1.00 0.00 H ATOM 719 HH21 ARG A 45 -13.569 -10.171 6.174 1.00 0.00 H ATOM 720 H ARG A 45 -8.270 -7.237 10.683 1.00 0.00 H ATOM 721 N THR A 46 -6.314 -8.167 8.197 1.00 7.89 N ATOM 722 CA THR A 46 -5.117 -8.299 7.388 1.00 8.54 C ATOM 723 C THR A 46 -4.229 -9.401 7.911 1.00 7.23 C ATOM 724 O THR A 46 -3.788 -10.279 7.168 1.00 8.60 O ATOM 725 CB THR A 46 -4.379 -6.938 7.235 1.00 7.78 C ATOM 726 OG1 THR A 46 -5.198 -6.069 6.497 1.00 9.26 O ATOM 727 CG2 THR A 46 -3.085 -7.069 6.529 1.00 9.31 C ATOM 728 HA THR A 46 -5.414 -8.593 6.381 1.00 0.00 H ATOM 729 HB THR A 46 -4.176 -6.557 8.236 1.00 0.00 H ATOM 730 HG1 THR A 46 -5.374 -6.461 5.605 1.00 0.00 H ATOM 731 HG23 THR A 46 -2.434 -7.741 7.088 1.00 0.00 H ATOM 732 HG21 THR A 46 -3.256 -7.473 5.531 1.00 0.00 H ATOM 733 HG22 THR A 46 -2.615 -6.089 6.450 1.00 0.00 H ATOM 734 H THR A 46 -6.499 -7.257 8.665 1.00 0.00 H ATOM 735 N TRP A 47 -3.957 -9.372 9.234 1.00 8.06 N ATOM 736 CA TRP A 47 -3.192 -10.506 9.817 1.00 7.54 C ATOM 737 C TRP A 47 -3.802 -11.894 9.471 1.00 7.48 C ATOM 738 O TRP A 47 -3.115 -12.839 9.062 1.00 8.37 O ATOM 739 CB TRP A 47 -2.991 -10.327 11.334 1.00 8.59 C ATOM 740 CG TRP A 47 -2.370 -11.489 12.026 1.00 8.24 C ATOM 741 CD1 TRP A 47 -3.049 -12.579 12.490 1.00 8.15 C ATOM 742 CD2 TRP A 47 -0.972 -11.677 12.309 1.00 7.70 C ATOM 743 NE1 TRP A 47 -2.156 -13.446 13.032 1.00 8.63 N ATOM 744 CE2 TRP A 47 -0.862 -12.938 12.993 1.00 7.64 C ATOM 745 CE3 TRP A 47 0.192 -10.917 12.106 1.00 8.71 C ATOM 746 CZ2 TRP A 47 0.375 -13.424 13.423 1.00 9.10 C ATOM 747 CZ3 TRP A 47 1.438 -11.383 12.537 1.00 9.21 C ATOM 748 CH2 TRP A 47 1.526 -12.642 13.150 1.00 7.85 C ATOM 749 HA TRP A 47 -2.208 -10.489 9.348 1.00 0.00 H ATOM 750 HB2 TRP A 47 -2.352 -9.458 11.491 1.00 0.00 H ATOM 751 HB3 TRP A 47 -3.966 -10.145 11.786 1.00 0.00 H ATOM 752 HE1 TRP A 47 -2.408 -14.374 13.427 1.00 0.00 H ATOM 753 HD1 TRP A 47 -4.127 -12.728 12.435 1.00 0.00 H ATOM 754 HZ2 TRP A 47 0.453 -14.374 13.952 1.00 0.00 H ATOM 755 HH2 TRP A 47 2.507 -13.030 13.424 1.00 0.00 H ATOM 756 HZ3 TRP A 47 2.332 -10.774 12.398 1.00 0.00 H ATOM 757 HE3 TRP A 47 0.123 -9.951 11.606 1.00 0.00 H ATOM 758 H TRP A 47 -4.274 -8.579 9.828 1.00 0.00 H ATOM 759 N ASP A 48 -5.116 -12.003 9.687 1.00 7.54 N ATOM 760 CA ASP A 48 -5.830 -13.262 9.433 1.00 7.74 C ATOM 761 C ASP A 48 -5.725 -13.656 7.980 1.00 8.09 C ATOM 762 O ASP A 48 -5.860 -14.812 7.664 1.00 12.21 O ATOM 763 CB ASP A 48 -7.310 -13.183 9.780 1.00 9.32 C ATOM 764 CG ASP A 48 -7.584 -13.325 11.277 1.00 13.69 C ATOM 765 OD1 ASP A 48 -6.683 -13.742 12.043 1.00 19.09 O ATOM 766 OD2 ASP A 48 -8.784 -13.193 11.590 1.00 19.13 O ATOM 767 HA ASP A 48 -5.353 -14.002 10.076 1.00 0.00 H ATOM 768 HB2 ASP A 48 -7.694 -12.219 9.447 1.00 0.00 H ATOM 769 HB3 ASP A 48 -7.833 -13.982 9.254 1.00 0.00 H ATOM 770 H ASP A 48 -5.644 -11.180 10.042 1.00 0.00 H ATOM 771 N SER A 49 -5.576 -12.723 7.076 1.00 7.61 N ATOM 772 CA SER A 49 -5.413 -13.075 5.636 1.00 7.89 C ATOM 773 C SER A 49 -4.070 -13.608 5.213 1.00 7.91 C ATOM 774 O SER A 49 -3.973 -14.107 4.127 1.00 8.11 O ATOM 775 CB SER A 49 -5.823 -11.885 4.761 1.00 10.48 C ATOM 776 OG SER A 49 -4.815 -10.865 4.727 1.00 10.29 O ATOM 777 HA SER A 49 -6.079 -13.925 5.489 1.00 0.00 H ATOM 778 HB2 SER A 49 -6.743 -11.457 5.159 1.00 0.00 H ATOM 779 HB3 SER A 49 -5.998 -12.240 3.745 1.00 0.00 H ATOM 780 HG SER A 49 -4.654 -10.531 5.645 1.00 0.00 H ATOM 781 H SER A 49 -5.571 -11.724 7.365 1.00 0.00 H ATOM 782 N LEU A 50 -3.062 -13.315 6.007 1.00 8.07 N ATOM 783 CA LEU A 50 -1.687 -13.781 5.678 1.00 7.71 C ATOM 784 C LEU A 50 -1.584 -15.296 5.878 1.00 7.85 C ATOM 785 O LEU A 50 -2.075 -15.828 6.856 1.00 9.02 O ATOM 786 CB LEU A 50 -0.586 -13.084 6.512 1.00 8.15 C ATOM 787 CG LEU A 50 -0.218 -11.654 6.055 1.00 8.19 C ATOM 788 CD1 LEU A 50 0.533 -10.970 7.161 1.00 9.91 C ATOM 789 CD2 LEU A 50 0.414 -11.646 4.702 1.00 10.69 C ATOM 790 HA LEU A 50 -1.517 -13.517 4.634 1.00 0.00 H ATOM 791 HB2 LEU A 50 -0.929 -13.030 7.545 1.00 0.00 H ATOM 792 HB3 LEU A 50 0.314 -13.696 6.461 1.00 0.00 H ATOM 793 HG LEU A 50 -1.110 -11.050 5.891 1.00 0.00 H ATOM 794 HD21 LEU A 50 1.326 -12.243 4.725 1.00 0.00 H ATOM 795 HD22 LEU A 50 -0.280 -12.069 3.976 1.00 0.00 H ATOM 796 HD23 LEU A 50 0.656 -10.621 4.421 1.00 0.00 H ATOM 797 HD11 LEU A 50 -0.095 -10.924 8.051 1.00 0.00 H ATOM 798 HD12 LEU A 50 1.440 -11.532 7.384 1.00 0.00 H ATOM 799 HD13 LEU A 50 0.797 -9.960 6.848 1.00 0.00 H ATOM 800 H LEU A 50 -3.227 -12.755 6.868 1.00 0.00 H ATOM 801 N PRO A 51 -0.740 -15.950 5.087 1.00 7.29 N ATOM 802 CA PRO A 51 -0.510 -17.423 5.312 1.00 9.64 C ATOM 803 C PRO A 51 0.125 -17.652 6.645 1.00 9.15 C ATOM 804 O PRO A 51 0.967 -16.816 7.127 1.00 9.25 O ATOM 805 CB PRO A 51 0.486 -17.782 4.194 1.00 8.78 C ATOM 806 CG PRO A 51 0.195 -16.779 3.071 1.00 8.79 C ATOM 807 CD PRO A 51 -0.139 -15.494 3.813 1.00 7.92 C ATOM 808 HA PRO A 51 -1.427 -18.012 5.295 1.00 0.00 H ATOM 809 HD3 PRO A 51 0.762 -14.910 3.999 1.00 0.00 H ATOM 810 HD2 PRO A 51 -0.849 -14.893 3.244 1.00 0.00 H ATOM 811 HG3 PRO A 51 -0.648 -17.108 2.464 1.00 0.00 H ATOM 812 HG2 PRO A 51 1.069 -16.644 2.434 1.00 0.00 H ATOM 813 HB2 PRO A 51 1.512 -17.677 4.546 1.00 0.00 H ATOM 814 HB3 PRO A 51 0.324 -18.803 3.849 1.00 0.00 H ATOM 815 N ALA A 52 -0.287 -18.733 7.276 1.00 9.34 N ATOM 816 CA ALA A 52 0.176 -19.055 8.627 1.00 8.63 C ATOM 817 C ALA A 52 1.656 -19.144 8.776 1.00 10.08 C ATOM 818 O ALA A 52 2.113 -18.816 9.851 1.00 14.63 O ATOM 819 CB ALA A 52 -0.478 -20.338 9.124 1.00 12.44 C ATOM 820 HA ALA A 52 -0.131 -18.210 9.243 1.00 0.00 H ATOM 821 HB1 ALA A 52 -1.560 -20.210 9.141 1.00 0.00 H ATOM 822 HB2 ALA A 52 -0.219 -21.159 8.455 1.00 0.00 H ATOM 823 HB3 ALA A 52 -0.121 -20.560 10.130 1.00 0.00 H ATOM 824 H ALA A 52 -0.957 -19.373 6.803 1.00 0.00 H ATOM 825 N LYS A 53 2.374 -19.576 7.729 1.00 11.45 N ATOM 826 CA LYS A 53 3.803 -19.744 7.792 1.00 13.33 C ATOM 827 C LYS A 53 4.542 -18.530 7.261 1.00 11.22 C ATOM 828 O LYS A 53 5.767 -18.575 7.170 1.00 13.29 O ATOM 829 CB LYS A 53 4.247 -21.051 7.114 1.00 16.94 C ATOM 830 CG LYS A 53 3.620 -22.303 7.632 1.00 17.03 C ATOM 831 CD LYS A 53 3.754 -22.368 9.173 1.00 21.32 C ATOM 832 CE LYS A 53 3.087 -23.569 9.860 1.00 27.90 C ATOM 833 NZ LYS A 53 2.803 -23.205 11.322 1.00 20.38 N ATOM 834 HA LYS A 53 4.076 -19.828 8.844 1.00 0.00 H ATOM 835 HB2 LYS A 53 4.010 -20.974 6.053 1.00 0.00 H ATOM 836 HB3 LYS A 53 5.326 -21.142 7.239 1.00 0.00 H ATOM 837 HG2 LYS A 53 2.564 -22.317 7.361 1.00 0.00 H ATOM 838 HG3 LYS A 53 4.118 -23.166 7.190 1.00 0.00 H ATOM 839 HD2 LYS A 53 4.817 -22.394 9.414 1.00 0.00 H ATOM 840 HD3 LYS A 53 3.312 -21.461 9.584 1.00 0.00 H ATOM 841 HE2 LYS A 53 3.753 -24.431 9.819 1.00 0.00 H ATOM 842 HE3 LYS A 53 2.152 -23.809 9.353 1.00 0.00 H ATOM 843 HZ1 LYS A 53 3.697 -22.976 11.801 1.00 0.00 H ATOM 844 HZ2 LYS A 53 2.169 -22.381 11.356 1.00 0.00 H ATOM 845 HZ3 LYS A 53 2.351 -24.012 11.797 1.00 0.00 H ATOM 846 H LYS A 53 1.882 -19.798 6.840 1.00 0.00 H ATOM 847 N VAL A 54 3.803 -17.451 6.901 1.00 10.11 N ATOM 848 CA VAL A 54 4.443 -16.231 6.425 1.00 10.19 C ATOM 849 C VAL A 54 4.453 -15.127 7.495 1.00 10.27 C ATOM 850 O VAL A 54 5.366 -14.310 7.594 1.00 15.75 O ATOM 851 CB VAL A 54 3.724 -15.800 5.140 1.00 10.41 C ATOM 852 CG1 VAL A 54 4.200 -14.441 4.728 1.00 13.79 C ATOM 853 CG2 VAL A 54 3.991 -16.816 4.043 1.00 13.76 C ATOM 854 HA VAL A 54 5.495 -16.420 6.209 1.00 0.00 H ATOM 855 HB VAL A 54 2.650 -15.753 5.318 1.00 0.00 H ATOM 856 HG11 VAL A 54 3.984 -13.726 5.522 1.00 0.00 H ATOM 857 HG12 VAL A 54 5.275 -14.473 4.549 1.00 0.00 H ATOM 858 HG13 VAL A 54 3.687 -14.139 3.815 1.00 0.00 H ATOM 859 HG21 VAL A 54 5.063 -16.875 3.857 1.00 0.00 H ATOM 860 HG22 VAL A 54 3.621 -17.792 4.356 1.00 0.00 H ATOM 861 HG23 VAL A 54 3.479 -16.508 3.131 1.00 0.00 H ATOM 862 H VAL A 54 2.766 -17.495 6.965 1.00 0.00 H ATOM 863 N ARG A 55 3.367 -15.116 8.272 1.00 9.77 N ATOM 864 CA ARG A 55 3.191 -14.160 9.395 1.00 8.55 C ATOM 865 C ARG A 55 3.868 -14.676 10.647 1.00 9.35 C ATOM 866 O ARG A 55 3.854 -15.913 10.885 1.00 11.27 O ATOM 867 CB ARG A 55 1.685 -13.882 9.675 1.00 9.34 C ATOM 868 CG ARG A 55 0.992 -15.095 10.257 1.00 8.70 C ATOM 869 CD ARG A 55 -0.510 -14.987 10.084 1.00 10.55 C ATOM 870 NE ARG A 55 -1.176 -16.143 10.791 1.00 9.32 N ATOM 871 CZ ARG A 55 -2.483 -16.449 10.627 1.00 8.85 C ATOM 872 NH1 ARG A 55 -3.314 -15.773 9.786 1.00 9.15 N ATOM 873 NH2 ARG A 55 -2.907 -17.565 11.219 1.00 9.98 N ATOM 874 HA ARG A 55 3.659 -13.220 9.103 1.00 0.00 H ATOM 875 HB2 ARG A 55 1.603 -13.055 10.381 1.00 0.00 H ATOM 876 HB3 ARG A 55 1.196 -13.610 8.740 1.00 0.00 H ATOM 877 HG2 ARG A 55 1.348 -15.990 9.747 1.00 0.00 H ATOM 878 HG3 ARG A 55 1.226 -15.166 11.319 1.00 0.00 H ATOM 879 HD2 ARG A 55 -0.758 -15.016 9.023 1.00 0.00 H ATOM 880 HD3 ARG A 55 -0.860 -14.047 10.512 1.00 0.00 H ATOM 881 HE ARG A 55 -0.605 -16.730 11.432 1.00 0.00 H ATOM 882 HH12 ARG A 55 -4.311 -16.056 9.702 1.00 0.00 H ATOM 883 HH11 ARG A 55 -2.951 -14.974 9.227 1.00 0.00 H ATOM 884 HH22 ARG A 55 -3.902 -17.855 11.130 1.00 0.00 H ATOM 885 HH21 ARG A 55 -2.243 -18.146 11.770 1.00 0.00 H ATOM 886 H ARG A 55 2.612 -15.806 8.083 1.00 0.00 H ATOM 887 N PRO A 56 4.508 -13.820 11.463 1.00 7.92 N ATOM 888 CA PRO A 56 4.778 -12.392 11.237 1.00 8.58 C ATOM 889 C PRO A 56 5.869 -12.210 10.161 1.00 9.10 C ATOM 890 O PRO A 56 6.782 -13.029 9.939 1.00 9.85 O ATOM 891 CB PRO A 56 5.338 -11.956 12.582 1.00 9.68 C ATOM 892 CG PRO A 56 6.185 -13.207 13.070 1.00 10.91 C ATOM 893 CD PRO A 56 5.186 -14.345 12.682 1.00 9.99 C ATOM 894 HA PRO A 56 3.902 -11.836 10.902 1.00 0.00 H ATOM 895 HD3 PRO A 56 5.717 -15.271 12.463 1.00 0.00 H ATOM 896 HD2 PRO A 56 4.467 -14.521 13.482 1.00 0.00 H ATOM 897 HG3 PRO A 56 6.376 -13.178 14.143 1.00 0.00 H ATOM 898 HG2 PRO A 56 7.131 -13.294 12.536 1.00 0.00 H ATOM 899 HB2 PRO A 56 5.973 -11.077 12.471 1.00 0.00 H ATOM 900 HB3 PRO A 56 4.534 -11.735 13.284 1.00 0.00 H ATOM 901 N LEU A 57 5.811 -11.071 9.475 1.00 8.48 N ATOM 902 CA LEU A 57 6.802 -10.722 8.440 1.00 9.11 C ATOM 903 C LEU A 57 8.169 -10.509 9.133 1.00 9.64 C ATOM 904 O LEU A 57 8.262 -9.758 10.086 1.00 10.47 O ATOM 905 CB LEU A 57 6.339 -9.532 7.623 1.00 9.33 C ATOM 906 CG LEU A 57 4.942 -9.551 7.045 1.00 9.83 C ATOM 907 CD1 LEU A 57 4.714 -8.371 6.064 1.00 10.54 C ATOM 908 CD2 LEU A 57 4.643 -10.817 6.297 1.00 11.96 C ATOM 909 HA LEU A 57 6.913 -11.532 7.719 1.00 0.00 H ATOM 910 HB2 LEU A 57 6.410 -8.654 8.265 1.00 0.00 H ATOM 911 HB3 LEU A 57 7.031 -9.426 6.788 1.00 0.00 H ATOM 912 HG LEU A 57 4.278 -9.470 7.905 1.00 0.00 H ATOM 913 HD21 LEU A 57 5.348 -10.926 5.473 1.00 0.00 H ATOM 914 HD22 LEU A 57 4.738 -11.667 6.972 1.00 0.00 H ATOM 915 HD23 LEU A 57 3.627 -10.774 5.905 1.00 0.00 H ATOM 916 HD11 LEU A 57 4.856 -7.428 6.592 1.00 0.00 H ATOM 917 HD12 LEU A 57 5.428 -8.440 5.243 1.00 0.00 H ATOM 918 HD13 LEU A 57 3.699 -8.419 5.670 1.00 0.00 H ATOM 919 H LEU A 57 5.039 -10.403 9.676 1.00 0.00 H ATOM 920 N PRO A 58 9.231 -11.178 8.685 1.00 9.71 N ATOM 921 CA PRO A 58 10.466 -11.223 9.479 1.00 11.89 C ATOM 922 C PRO A 58 11.209 -9.899 9.425 1.00 11.92 C ATOM 923 O PRO A 58 11.057 -9.108 8.479 1.00 12.34 O ATOM 924 CB PRO A 58 11.317 -12.313 8.746 1.00 14.86 C ATOM 925 CG PRO A 58 10.717 -12.247 7.336 1.00 17.23 C ATOM 926 CD PRO A 58 9.224 -12.175 7.611 1.00 12.45 C ATOM 927 HA PRO A 58 10.272 -11.430 10.531 1.00 0.00 H ATOM 928 HD3 PRO A 58 8.665 -11.833 6.740 1.00 0.00 H ATOM 929 HD2 PRO A 58 8.824 -13.132 7.945 1.00 0.00 H ATOM 930 HG3 PRO A 58 10.968 -13.137 6.760 1.00 0.00 H ATOM 931 HG2 PRO A 58 11.062 -11.361 6.803 1.00 0.00 H ATOM 932 HB2 PRO A 58 12.377 -12.060 8.743 1.00 0.00 H ATOM 933 HB3 PRO A 58 11.181 -13.297 9.194 1.00 0.00 H ATOM 934 N GLY A 59 11.989 -9.644 10.454 1.00 12.75 N ATOM 935 CA GLY A 59 12.855 -8.486 10.531 1.00 12.86 C ATOM 936 C GLY A 59 12.209 -7.165 10.906 1.00 10.22 C ATOM 937 O GLY A 59 12.874 -6.141 10.811 1.00 11.57 O ATOM 938 HA3 GLY A 59 13.321 -8.358 9.554 1.00 0.00 H ATOM 939 HA2 GLY A 59 13.624 -8.699 11.274 1.00 0.00 H ATOM 940 H GLY A 59 11.983 -10.309 11.254 1.00 0.00 H ATOM 941 N ARG A 60 10.942 -7.216 11.253 1.00 10.52 N ATOM 942 CA ARG A 60 10.135 -6.105 11.617 1.00 11.10 C ATOM 943 C ARG A 60 9.335 -6.449 12.833 1.00 10.92 C ATOM 944 O ARG A 60 8.859 -7.591 12.967 1.00 11.27 O ATOM 945 CB ARG A 60 9.183 -5.772 10.463 1.00 9.45 C ATOM 946 CG ARG A 60 9.911 -5.073 9.319 1.00 11.29 C ATOM 947 CD ARG A 60 9.308 -5.363 7.950 1.00 11.22 C ATOM 948 NE ARG A 60 9.610 -6.788 7.525 1.00 9.91 N ATOM 949 CZ ARG A 60 9.248 -7.302 6.346 1.00 9.38 C ATOM 950 NH1 ARG A 60 8.607 -6.559 5.460 1.00 9.09 N ATOM 951 NH2 ARG A 60 9.574 -8.536 6.062 1.00 10.27 N ATOM 952 HA ARG A 60 10.771 -5.245 11.829 1.00 0.00 H ATOM 953 HB2 ARG A 60 8.742 -6.696 10.090 1.00 0.00 H ATOM 954 HB3 ARG A 60 8.394 -5.118 10.833 1.00 0.00 H ATOM 955 HG2 ARG A 60 9.874 -3.997 9.492 1.00 0.00 H ATOM 956 HG3 ARG A 60 10.949 -5.404 9.316 1.00 0.00 H ATOM 957 HD2 ARG A 60 9.730 -4.674 7.219 1.00 0.00 H ATOM 958 HD3 ARG A 60 8.228 -5.224 7.997 1.00 0.00 H ATOM 959 HE ARG A 60 10.128 -7.399 8.189 1.00 0.00 H ATOM 960 HH12 ARG A 60 8.328 -6.966 4.544 1.00 0.00 H ATOM 961 HH11 ARG A 60 8.381 -5.568 5.679 1.00 0.00 H ATOM 962 HH22 ARG A 60 9.299 -8.949 5.148 1.00 0.00 H ATOM 963 HH21 ARG A 60 10.108 -9.104 6.750 1.00 0.00 H ATOM 964 H ARG A 60 10.490 -8.153 11.262 1.00 0.00 H ATOM 965 N ARG A 61 9.098 -5.435 13.672 1.00 10.51 N ATOM 966 CA ARG A 61 8.217 -5.551 14.825 1.00 9.02 C ATOM 967 C ARG A 61 6.811 -5.553 14.279 1.00 9.40 C ATOM 968 O ARG A 61 6.267 -4.494 13.783 1.00 10.46 O ATOM 969 CB ARG A 61 8.557 -4.438 15.828 1.00 12.05 C ATOM 970 CG ARG A 61 7.532 -4.321 16.948 1.00 9.69 C ATOM 971 CD ARG A 61 7.963 -3.283 17.925 1.00 12.37 C ATOM 972 NE ARG A 61 6.997 -2.992 18.930 1.00 19.50 N ATOM 973 CZ ARG A 61 7.075 -1.989 19.798 1.00 17.21 C ATOM 974 NH1 ARG A 61 8.101 -1.122 19.802 1.00 21.77 N ATOM 975 NH2 ARG A 61 6.074 -1.861 20.682 1.00 24.54 N ATOM 976 HA ARG A 61 8.338 -6.470 15.399 1.00 0.00 H ATOM 977 HB2 ARG A 61 9.531 -4.651 16.268 1.00 0.00 H ATOM 978 HB3 ARG A 61 8.600 -3.489 15.294 1.00 0.00 H ATOM 979 HG2 ARG A 61 6.566 -4.042 16.527 1.00 0.00 H ATOM 980 HG3 ARG A 61 7.441 -5.281 17.457 1.00 0.00 H ATOM 981 HD2 ARG A 61 8.175 -2.365 17.378 1.00 0.00 H ATOM 982 HD3 ARG A 61 8.873 -3.631 18.415 1.00 0.00 H ATOM 983 HE ARG A 61 6.165 -3.613 18.989 1.00 0.00 H ATOM 984 HH12 ARG A 61 8.126 -0.349 20.498 1.00 0.00 H ATOM 985 HH11 ARG A 61 8.870 -1.223 19.109 1.00 0.00 H ATOM 986 HH22 ARG A 61 6.092 -1.091 21.380 1.00 0.00 H ATOM 987 HH21 ARG A 61 5.280 -2.532 20.669 1.00 0.00 H ATOM 988 H ARG A 61 9.564 -4.523 13.493 1.00 0.00 H ATOM 989 N ASN A 62 6.098 -6.690 14.319 1.00 8.32 N ATOM 990 CA ASN A 62 4.731 -6.711 13.782 1.00 6.55 C ATOM 991 C ASN A 62 3.712 -6.386 14.897 1.00 6.56 C ATOM 992 O ASN A 62 3.736 -7.060 15.984 1.00 7.24 O ATOM 993 CB ASN A 62 4.345 -8.119 13.231 1.00 8.31 C ATOM 994 CG ASN A 62 5.038 -8.534 11.945 1.00 6.93 C ATOM 995 OD1 ASN A 62 4.317 -9.094 11.078 1.00 8.32 O ATOM 996 ND2 ASN A 62 6.350 -8.341 11.821 1.00 7.82 N ATOM 997 HA ASN A 62 4.705 -5.972 12.981 1.00 0.00 H ATOM 998 HB2 ASN A 62 4.588 -8.857 13.996 1.00 0.00 H ATOM 999 HB3 ASN A 62 3.270 -8.125 13.050 1.00 0.00 H ATOM 1000 HD22 ASN A 62 6.880 -7.870 12.581 1.00 0.00 H ATOM 1001 HD21 ASN A 62 6.844 -8.662 10.964 1.00 0.00 H ATOM 1002 H ASN A 62 6.512 -7.552 14.728 1.00 0.00 H ATOM 1003 N VAL A 63 2.789 -5.483 14.572 1.00 6.41 N ATOM 1004 CA VAL A 63 1.743 -5.049 15.499 1.00 6.71 C ATOM 1005 C VAL A 63 0.431 -5.310 14.847 1.00 5.81 C ATOM 1006 O VAL A 63 0.200 -4.819 13.691 1.00 6.78 O ATOM 1007 CB VAL A 63 1.893 -3.555 15.812 1.00 7.92 C ATOM 1008 CG1 VAL A 63 0.807 -3.042 16.751 1.00 9.21 C ATOM 1009 CG2 VAL A 63 3.289 -3.282 16.438 1.00 7.69 C ATOM 1010 HA VAL A 63 1.818 -5.594 16.440 1.00 0.00 H ATOM 1011 HB VAL A 63 1.791 -3.020 14.868 1.00 0.00 H ATOM 1012 HG11 VAL A 63 -0.170 -3.192 16.291 1.00 0.00 H ATOM 1013 HG12 VAL A 63 0.855 -3.589 17.693 1.00 0.00 H ATOM 1014 HG13 VAL A 63 0.962 -1.979 16.938 1.00 0.00 H ATOM 1015 HG21 VAL A 63 3.391 -3.855 17.360 1.00 0.00 H ATOM 1016 HG22 VAL A 63 4.066 -3.582 15.735 1.00 0.00 H ATOM 1017 HG23 VAL A 63 3.386 -2.219 16.657 1.00 0.00 H ATOM 1018 H VAL A 63 2.812 -5.068 13.619 1.00 0.00 H ATOM 1019 N VAL A 64 -0.539 -5.923 15.528 1.00 5.96 N ATOM 1020 CA VAL A 64 -1.880 -6.217 15.019 1.00 6.62 C ATOM 1021 C VAL A 64 -2.855 -5.442 15.888 1.00 6.02 C ATOM 1022 O VAL A 64 -2.850 -5.538 17.114 1.00 6.80 O ATOM 1023 CB VAL A 64 -2.186 -7.737 15.060 1.00 6.80 C ATOM 1024 CG1 VAL A 64 -3.641 -7.967 14.532 1.00 8.50 C ATOM 1025 CG2 VAL A 64 -1.078 -8.461 14.242 1.00 6.85 C ATOM 1026 HA VAL A 64 -1.965 -5.920 13.974 1.00 0.00 H ATOM 1027 HB VAL A 64 -2.163 -8.153 16.067 1.00 0.00 H ATOM 1028 HG11 VAL A 64 -4.346 -7.429 15.166 1.00 0.00 H ATOM 1029 HG12 VAL A 64 -3.717 -7.600 13.509 1.00 0.00 H ATOM 1030 HG13 VAL A 64 -3.870 -9.032 14.555 1.00 0.00 H ATOM 1031 HG21 VAL A 64 -1.091 -8.097 13.214 1.00 0.00 H ATOM 1032 HG22 VAL A 64 -0.105 -8.256 14.689 1.00 0.00 H ATOM 1033 HG23 VAL A 64 -1.265 -9.535 14.251 1.00 0.00 H ATOM 1034 H VAL A 64 -0.324 -6.217 16.502 1.00 0.00 H ATOM 1035 N LEU A 65 -3.698 -4.662 15.239 1.00 5.90 N ATOM 1036 CA LEU A 65 -4.745 -3.914 15.923 1.00 6.53 C ATOM 1037 C LEU A 65 -5.995 -4.762 15.981 1.00 7.35 C ATOM 1038 O LEU A 65 -6.518 -5.217 14.918 1.00 7.48 O ATOM 1039 CB LEU A 65 -5.049 -2.611 15.118 1.00 7.81 C ATOM 1040 CG LEU A 65 -6.122 -1.755 15.690 1.00 9.15 C ATOM 1041 CD1 LEU A 65 -5.872 -1.182 17.079 1.00 10.22 C ATOM 1042 CD2 LEU A 65 -6.524 -0.640 14.742 1.00 11.57 C ATOM 1043 HA LEU A 65 -4.422 -3.658 16.932 1.00 0.00 H ATOM 1044 HB2 LEU A 65 -4.134 -2.021 15.071 1.00 0.00 H ATOM 1045 HB3 LEU A 65 -5.347 -2.898 14.109 1.00 0.00 H ATOM 1046 HG LEU A 65 -6.942 -2.462 15.819 1.00 0.00 H ATOM 1047 HD21 LEU A 65 -5.658 -0.010 14.536 1.00 0.00 H ATOM 1048 HD22 LEU A 65 -6.891 -1.071 13.811 1.00 0.00 H ATOM 1049 HD23 LEU A 65 -7.310 -0.040 15.201 1.00 0.00 H ATOM 1050 HD11 LEU A 65 -5.734 -1.998 17.788 1.00 0.00 H ATOM 1051 HD12 LEU A 65 -4.976 -0.561 17.059 1.00 0.00 H ATOM 1052 HD13 LEU A 65 -6.728 -0.578 17.381 1.00 0.00 H ATOM 1053 H LEU A 65 -3.613 -4.578 14.206 1.00 0.00 H ATOM 1054 N SER A 66 -6.526 -4.941 17.190 1.00 6.44 N ATOM 1055 CA SER A 66 -7.763 -5.694 17.373 1.00 7.10 C ATOM 1056 C SER A 66 -8.455 -5.240 18.620 1.00 7.43 C ATOM 1057 O SER A 66 -7.804 -4.782 19.576 1.00 8.24 O ATOM 1058 CB SER A 66 -7.449 -7.156 17.606 1.00 8.15 C ATOM 1059 OG SER A 66 -8.589 -8.014 17.815 1.00 8.60 O ATOM 1060 HA SER A 66 -8.375 -5.542 16.484 1.00 0.00 H ATOM 1061 HB2 SER A 66 -6.811 -7.226 18.487 1.00 0.00 H ATOM 1062 HB3 SER A 66 -6.906 -7.525 16.736 1.00 0.00 H ATOM 1063 HG SER A 66 -8.279 -8.944 17.957 1.00 0.00 H ATOM 1064 H SER A 66 -6.049 -4.536 18.021 1.00 0.00 H ATOM 1065 N ARG A 67 -9.777 -5.380 18.696 1.00 8.44 N ATOM 1066 CA ARG A 67 -10.507 -5.099 19.960 1.00 7.96 C ATOM 1067 C ARG A 67 -10.531 -6.349 20.855 1.00 10.80 C ATOM 1068 O ARG A 67 -10.990 -6.250 22.012 1.00 11.21 O ATOM 1069 CB ARG A 67 -11.941 -4.743 19.688 1.00 10.49 C ATOM 1070 CG ARG A 67 -12.051 -3.458 18.934 1.00 12.40 C ATOM 1071 CD ARG A 67 -13.526 -3.085 18.693 1.00 15.08 C ATOM 1072 NE ARG A 67 -13.683 -1.804 18.045 1.00 20.09 N ATOM 1073 CZ ARG A 67 -13.709 -1.681 16.716 1.00 22.52 C ATOM 1074 NH1 ARG A 67 -13.655 -2.763 15.938 1.00 20.79 N ATOM 1075 NH2 ARG A 67 -13.829 -0.494 16.158 1.00 23.59 N ATOM 1076 HA ARG A 67 -9.989 -4.272 20.446 1.00 0.00 H ATOM 1077 HB2 ARG A 67 -12.399 -5.539 19.101 1.00 0.00 H ATOM 1078 HB3 ARG A 67 -12.468 -4.644 20.637 1.00 0.00 H ATOM 1079 HG2 ARG A 67 -11.572 -2.665 19.508 1.00 0.00 H ATOM 1080 HG3 ARG A 67 -11.548 -3.564 17.973 1.00 0.00 H ATOM 1081 HD2 ARG A 67 -14.039 -3.054 19.654 1.00 0.00 H ATOM 1082 HD3 ARG A 67 -13.981 -3.851 18.065 1.00 0.00 H ATOM 1083 HE ARG A 67 -13.779 -0.951 18.632 1.00 0.00 H ATOM 1084 HH12 ARG A 67 -13.676 -2.661 14.903 1.00 0.00 H ATOM 1085 HH11 ARG A 67 -13.592 -3.709 16.366 1.00 0.00 H ATOM 1086 HH22 ARG A 67 -13.849 -0.406 15.122 1.00 0.00 H ATOM 1087 HH21 ARG A 67 -13.904 0.355 16.753 1.00 0.00 H ATOM 1088 H ARG A 67 -10.307 -5.691 17.857 1.00 0.00 H ATOM 1089 N GLN A 68 -9.980 -7.463 20.388 1.00 9.59 N ATOM 1090 CA GLN A 68 -10.122 -8.742 21.112 1.00 9.50 C ATOM 1091 C GLN A 68 -8.819 -8.965 21.899 1.00 10.57 C ATOM 1092 O GLN A 68 -7.768 -9.328 21.385 1.00 9.06 O ATOM 1093 CB GLN A 68 -10.219 -9.867 20.114 1.00 10.46 C ATOM 1094 CG GLN A 68 -11.353 -9.801 19.134 1.00 12.55 C ATOM 1095 CD GLN A 68 -11.371 -10.932 18.155 1.00 13.25 C ATOM 1096 OE1 GLN A 68 -11.134 -10.741 16.894 1.00 15.79 O ATOM 1097 NE2 GLN A 68 -11.634 -12.126 18.659 1.00 13.55 N ATOM 1098 HA GLN A 68 -11.002 -8.717 21.754 1.00 0.00 H ATOM 1099 HB2 GLN A 68 -9.290 -9.885 19.544 1.00 0.00 H ATOM 1100 HB3 GLN A 68 -10.319 -10.797 20.673 1.00 0.00 H ATOM 1101 HG2 GLN A 68 -12.290 -9.813 19.691 1.00 0.00 H ATOM 1102 HG3 GLN A 68 -11.274 -8.866 18.579 1.00 0.00 H ATOM 1103 HE22 GLN A 68 -11.818 -12.232 19.677 1.00 0.00 H ATOM 1104 HE21 GLN A 68 -11.657 -12.959 18.037 1.00 0.00 H ATOM 1105 H GLN A 68 -9.441 -7.434 19.499 1.00 0.00 H ATOM 1106 N ALA A 69 -8.870 -8.793 23.212 1.00 10.47 N ATOM 1107 CA ALA A 69 -7.736 -8.973 24.107 1.00 10.42 C ATOM 1108 C ALA A 69 -7.184 -10.383 24.001 1.00 9.21 C ATOM 1109 O ALA A 69 -6.018 -10.573 24.271 1.00 11.39 O ATOM 1110 CB ALA A 69 -8.178 -8.632 25.549 1.00 12.13 C ATOM 1111 HA ALA A 69 -6.928 -8.299 23.821 1.00 0.00 H ATOM 1112 HB1 ALA A 69 -8.519 -7.597 25.588 1.00 0.00 H ATOM 1113 HB2 ALA A 69 -8.991 -9.295 25.845 1.00 0.00 H ATOM 1114 HB3 ALA A 69 -7.335 -8.764 26.227 1.00 0.00 H ATOM 1115 H ALA A 69 -9.779 -8.511 23.630 1.00 0.00 H ATOM 1116 N ASP A 70 -8.018 -11.398 23.700 1.00 10.60 N ATOM 1117 CA ASP A 70 -7.528 -12.773 23.661 1.00 12.43 C ATOM 1118 C ASP A 70 -6.971 -13.143 22.340 1.00 12.69 C ATOM 1119 O ASP A 70 -6.631 -14.340 22.157 1.00 15.04 O ATOM 1120 CB ASP A 70 -8.575 -13.821 24.102 1.00 18.12 C ATOM 1121 CG ASP A 70 -9.914 -13.687 23.400 1.00 22.04 C ATOM 1122 OD1 ASP A 70 -10.140 -12.804 22.551 1.00 24.16 O ATOM 1123 OD2 ASP A 70 -10.859 -14.448 23.807 1.00 31.92 O ATOM 1124 HA ASP A 70 -6.722 -12.790 24.395 1.00 0.00 H ATOM 1125 HB2 ASP A 70 -8.176 -14.814 23.894 1.00 0.00 H ATOM 1126 HB3 ASP A 70 -8.737 -13.714 25.174 1.00 0.00 H ATOM 1127 H ASP A 70 -9.018 -11.200 23.494 1.00 0.00 H ATOM 1128 N PHE A 71 -6.884 -12.183 21.406 1.00 10.76 N ATOM 1129 CA PHE A 71 -6.469 -12.583 20.021 1.00 11.10 C ATOM 1130 C PHE A 71 -5.055 -13.154 20.002 1.00 10.73 C ATOM 1131 O PHE A 71 -4.148 -12.608 20.605 1.00 14.79 O ATOM 1132 CB PHE A 71 -6.582 -11.442 19.102 1.00 9.79 C ATOM 1133 CG PHE A 71 -6.333 -11.812 17.671 1.00 9.50 C ATOM 1134 CD1 PHE A 71 -7.346 -12.470 16.957 1.00 13.36 C ATOM 1135 CD2 PHE A 71 -5.074 -11.531 17.027 1.00 11.03 C ATOM 1136 CE1 PHE A 71 -7.161 -12.872 15.668 1.00 11.06 C ATOM 1137 CE2 PHE A 71 -4.918 -11.919 15.697 1.00 12.19 C ATOM 1138 CZ PHE A 71 -5.922 -12.649 15.072 1.00 10.98 C ATOM 1139 HA PHE A 71 -7.144 -13.370 19.685 1.00 0.00 H ATOM 1140 HB2 PHE A 71 -7.587 -11.029 19.184 1.00 0.00 H ATOM 1141 HB3 PHE A 71 -5.854 -10.686 19.397 1.00 0.00 H ATOM 1142 HD2 PHE A 71 -4.268 -11.030 17.564 1.00 0.00 H ATOM 1143 HE2 PHE A 71 -4.014 -11.651 15.150 1.00 0.00 H ATOM 1144 HZ PHE A 71 -5.733 -13.061 14.081 1.00 0.00 H ATOM 1145 HE1 PHE A 71 -7.965 -13.358 15.115 1.00 0.00 H ATOM 1146 HD1 PHE A 71 -8.302 -12.664 17.444 1.00 0.00 H ATOM 1147 H PHE A 71 -7.098 -11.191 21.636 1.00 0.00 H ATOM 1148 N MET A 72 -4.885 -14.273 19.328 1.00 12.53 N ATOM 1149 CA MET A 72 -3.612 -14.852 19.232 1.00 12.83 C ATOM 1150 C MET A 72 -2.919 -14.411 17.933 1.00 12.24 C ATOM 1151 O MET A 72 -3.357 -14.768 16.862 1.00 15.15 O ATOM 1152 CB MET A 72 -3.768 -16.360 19.250 1.00 17.58 C ATOM 1153 CG MET A 72 -2.471 -17.111 19.040 1.00 23.59 C ATOM 1154 SD MET A 72 -1.282 -16.673 20.335 1.00 37.03 S ATOM 1155 CE MET A 72 0.312 -17.382 19.865 1.00 33.32 C ATOM 1156 HA MET A 72 -2.997 -14.528 20.072 1.00 0.00 H ATOM 1157 HB2 MET A 72 -4.182 -16.651 20.215 1.00 0.00 H ATOM 1158 HB3 MET A 72 -4.462 -16.643 18.458 1.00 0.00 H ATOM 1159 HG2 MET A 72 -2.056 -16.850 18.066 1.00 0.00 H ATOM 1160 HG3 MET A 72 -2.665 -18.183 19.076 1.00 0.00 H ATOM 1161 HE1 MET A 72 0.217 -18.465 19.783 1.00 0.00 H ATOM 1162 HE2 MET A 72 0.623 -16.970 18.905 1.00 0.00 H ATOM 1163 HE3 MET A 72 1.055 -17.138 20.624 1.00 0.00 H ATOM 1164 H MET A 72 -5.698 -14.728 18.866 1.00 0.00 H ATOM 1165 N ALA A 73 -1.792 -13.730 18.016 1.00 12.47 N ATOM 1166 CA ALA A 73 -1.054 -13.318 16.776 1.00 11.66 C ATOM 1167 C ALA A 73 0.353 -13.791 17.087 1.00 12.77 C ATOM 1168 O ALA A 73 1.138 -12.990 17.582 1.00 12.87 O ATOM 1169 CB ALA A 73 -1.146 -11.801 16.571 1.00 13.55 C ATOM 1170 HA ALA A 73 -1.443 -13.735 15.847 1.00 0.00 H ATOM 1171 HB1 ALA A 73 -2.192 -11.512 16.472 1.00 0.00 H ATOM 1172 HB2 ALA A 73 -0.707 -11.292 17.429 1.00 0.00 H ATOM 1173 HB3 ALA A 73 -0.604 -11.524 15.667 1.00 0.00 H ATOM 1174 H ALA A 73 -1.411 -13.476 18.950 1.00 0.00 H ATOM 1175 N SER A 74 0.663 -15.084 16.822 1.00 13.81 N ATOM 1176 CA SER A 74 1.916 -15.696 17.230 1.00 17.13 C ATOM 1177 C SER A 74 3.043 -14.936 16.546 1.00 14.64 C ATOM 1178 O SER A 74 3.008 -14.806 15.317 1.00 14.66 O ATOM 1179 CB SER A 74 1.895 -17.195 16.798 1.00 16.48 C ATOM 1180 OG SER A 74 0.770 -17.869 17.368 1.00 29.79 O ATOM 1181 HA SER A 74 2.061 -15.653 18.309 1.00 0.00 H ATOM 1182 HB2 SER A 74 2.811 -17.678 17.137 1.00 0.00 H ATOM 1183 HB3 SER A 74 1.835 -17.254 15.711 1.00 0.00 H ATOM 1184 HG SER A 74 0.775 -18.817 17.082 1.00 0.00 H ATOM 1185 H SER A 74 -0.027 -15.664 16.303 1.00 0.00 H ATOM 1186 N GLY A 75 4.035 -14.477 17.329 1.00 11.64 N ATOM 1187 CA GLY A 75 5.181 -13.752 16.842 1.00 11.65 C ATOM 1188 C GLY A 75 4.997 -12.247 16.681 1.00 11.62 C ATOM 1189 O GLY A 75 5.991 -11.543 16.267 1.00 10.93 O ATOM 1190 HA3 GLY A 75 5.447 -14.162 15.868 1.00 0.00 H ATOM 1191 HA2 GLY A 75 6.002 -13.916 17.540 1.00 0.00 H ATOM 1192 H GLY A 75 3.971 -14.657 18.351 1.00 0.00 H ATOM 1193 N ALA A 76 3.780 -11.757 16.974 1.00 11.09 N ATOM 1194 CA ALA A 76 3.519 -10.310 16.914 1.00 9.38 C ATOM 1195 C ALA A 76 2.976 -9.830 18.260 1.00 10.04 C ATOM 1196 O ALA A 76 2.889 -10.623 19.199 1.00 16.56 O ATOM 1197 CB ALA A 76 2.455 -10.078 15.865 1.00 12.13 C ATOM 1198 HA ALA A 76 4.437 -9.773 16.677 1.00 0.00 H ATOM 1199 HB1 ALA A 76 2.812 -10.440 14.901 1.00 0.00 H ATOM 1200 HB2 ALA A 76 1.549 -10.616 16.143 1.00 0.00 H ATOM 1201 HB3 ALA A 76 2.240 -9.012 15.797 1.00 0.00 H ATOM 1202 H ALA A 76 3.015 -12.407 17.246 1.00 0.00 H ATOM 1203 N GLU A 77 2.679 -8.542 18.381 1.00 8.81 N ATOM 1204 CA GLU A 77 2.042 -7.977 19.511 1.00 8.47 C ATOM 1205 C GLU A 77 0.697 -7.529 19.132 1.00 8.17 C ATOM 1206 O GLU A 77 0.472 -7.157 17.955 1.00 8.73 O ATOM 1207 CB GLU A 77 2.937 -6.906 20.132 1.00 9.47 C ATOM 1208 CG GLU A 77 2.881 -5.585 19.351 1.00 10.34 C ATOM 1209 CD GLU A 77 4.035 -4.653 19.788 1.00 12.60 C ATOM 1210 OE1 GLU A 77 3.725 -3.591 20.357 1.00 15.97 O ATOM 1211 OE2 GLU A 77 5.190 -5.040 19.576 1.00 12.26 O ATOM 1212 HA GLU A 77 1.897 -8.714 20.301 1.00 0.00 H ATOM 1213 HB2 GLU A 77 2.610 -6.724 21.156 1.00 0.00 H ATOM 1214 HB3 GLU A 77 3.965 -7.267 20.139 1.00 0.00 H ATOM 1215 HG2 GLU A 77 2.971 -5.793 18.285 1.00 0.00 H ATOM 1216 HG3 GLU A 77 1.928 -5.093 19.545 1.00 0.00 H ATOM 1217 H GLU A 77 2.930 -7.908 17.596 1.00 0.00 H ATOM 1218 N VAL A 78 -0.273 -7.585 20.051 1.00 7.25 N ATOM 1219 CA VAL A 78 -1.615 -7.092 19.767 1.00 6.74 C ATOM 1220 C VAL A 78 -1.930 -5.820 20.560 1.00 5.60 C ATOM 1221 O VAL A 78 -1.639 -5.789 21.776 1.00 7.60 O ATOM 1222 CB VAL A 78 -2.673 -8.167 20.092 1.00 7.25 C ATOM 1223 CG1 VAL A 78 -4.122 -7.620 19.911 1.00 8.50 C ATOM 1224 CG2 VAL A 78 -2.450 -9.468 19.204 1.00 9.52 C ATOM 1225 HA VAL A 78 -1.649 -6.856 18.703 1.00 0.00 H ATOM 1226 HB VAL A 78 -2.551 -8.439 21.140 1.00 0.00 H ATOM 1227 HG11 VAL A 78 -4.275 -6.773 20.579 1.00 0.00 H ATOM 1228 HG12 VAL A 78 -4.262 -7.300 18.878 1.00 0.00 H ATOM 1229 HG13 VAL A 78 -4.838 -8.406 20.149 1.00 0.00 H ATOM 1230 HG21 VAL A 78 -2.529 -9.204 18.149 1.00 0.00 H ATOM 1231 HG22 VAL A 78 -1.460 -9.878 19.404 1.00 0.00 H ATOM 1232 HG23 VAL A 78 -3.209 -10.210 19.452 1.00 0.00 H ATOM 1233 H VAL A 78 -0.066 -7.988 20.987 1.00 0.00 H ATOM 1234 N VAL A 79 -2.438 -4.781 19.902 1.00 6.31 N ATOM 1235 CA VAL A 79 -2.791 -3.527 20.602 1.00 6.53 C ATOM 1236 C VAL A 79 -4.271 -3.358 20.355 1.00 7.11 C ATOM 1237 O VAL A 79 -4.813 -3.735 19.302 1.00 7.00 O ATOM 1238 CB VAL A 79 -1.999 -2.310 20.112 1.00 9.85 C ATOM 1239 CG1 VAL A 79 -0.525 -2.503 20.441 1.00 11.78 C ATOM 1240 CG2 VAL A 79 -2.134 -2.053 18.621 1.00 11.05 C ATOM 1241 HA VAL A 79 -2.542 -3.591 21.661 1.00 0.00 H ATOM 1242 HB VAL A 79 -2.417 -1.444 20.626 1.00 0.00 H ATOM 1243 HG11 VAL A 79 -0.405 -2.607 21.519 1.00 0.00 H ATOM 1244 HG12 VAL A 79 -0.158 -3.402 19.945 1.00 0.00 H ATOM 1245 HG13 VAL A 79 0.040 -1.638 20.093 1.00 0.00 H ATOM 1246 HG21 VAL A 79 -1.771 -2.920 18.070 1.00 0.00 H ATOM 1247 HG22 VAL A 79 -3.182 -1.878 18.377 1.00 0.00 H ATOM 1248 HG23 VAL A 79 -1.546 -1.176 18.350 1.00 0.00 H ATOM 1249 H VAL A 79 -2.590 -4.852 18.876 1.00 0.00 H ATOM 1250 N GLY A 80 -4.920 -2.640 21.272 1.00 6.97 N ATOM 1251 CA GLY A 80 -6.375 -2.398 21.242 1.00 7.86 C ATOM 1252 C GLY A 80 -6.759 -0.987 20.827 1.00 8.22 C ATOM 1253 O GLY A 80 -7.913 -0.665 20.812 1.00 11.40 O ATOM 1254 HA3 GLY A 80 -6.774 -2.583 22.239 1.00 0.00 H ATOM 1255 HA2 GLY A 80 -6.825 -3.097 20.537 1.00 0.00 H ATOM 1256 H GLY A 80 -4.370 -2.227 22.052 1.00 0.00 H ATOM 1257 N SER A 81 -5.775 -0.163 20.506 1.00 8.32 N ATOM 1258 CA SER A 81 -6.021 1.200 19.972 1.00 9.76 C ATOM 1259 C SER A 81 -4.888 1.486 19.001 1.00 11.53 C ATOM 1260 O SER A 81 -3.769 1.004 19.161 1.00 12.80 O ATOM 1261 CB SER A 81 -6.053 2.264 21.030 1.00 14.52 C ATOM 1262 OG SER A 81 -4.686 2.459 21.515 1.00 19.89 O ATOM 1263 HA SER A 81 -7.004 1.223 19.502 1.00 0.00 H ATOM 1264 HB2 SER A 81 -6.696 1.950 21.852 1.00 0.00 H ATOM 1265 HB3 SER A 81 -6.433 3.195 20.608 1.00 0.00 H ATOM 1266 HG SER A 81 -4.107 2.741 20.763 1.00 0.00 H ATOM 1267 H SER A 81 -4.793 -0.482 20.632 1.00 0.00 H ATOM 1268 N LEU A 82 -5.138 2.386 18.049 1.00 16.02 N ATOM 1269 CA LEU A 82 -4.046 2.644 17.081 1.00 18.47 C ATOM 1270 C LEU A 82 -2.910 3.406 17.743 1.00 14.71 C ATOM 1271 O LEU A 82 -1.723 3.135 17.479 1.00 18.33 O ATOM 1272 CB LEU A 82 -4.482 3.381 15.807 1.00 21.96 C ATOM 1273 CG LEU A 82 -3.292 3.493 14.834 1.00 24.15 C ATOM 1274 CD1 LEU A 82 -3.150 2.234 13.991 1.00 23.19 C ATOM 1275 CD2 LEU A 82 -3.322 4.758 14.071 1.00 26.46 C ATOM 1276 HA LEU A 82 -3.712 1.656 16.764 1.00 0.00 H ATOM 1277 HB2 LEU A 82 -5.290 2.829 15.328 1.00 0.00 H ATOM 1278 HB3 LEU A 82 -4.831 4.380 16.068 1.00 0.00 H ATOM 1279 HG LEU A 82 -2.370 3.551 15.413 1.00 0.00 H ATOM 1280 HD21 LEU A 82 -4.244 4.810 13.492 1.00 0.00 H ATOM 1281 HD22 LEU A 82 -3.279 5.599 14.763 1.00 0.00 H ATOM 1282 HD23 LEU A 82 -2.466 4.795 13.398 1.00 0.00 H ATOM 1283 HD11 LEU A 82 -2.986 1.377 14.645 1.00 0.00 H ATOM 1284 HD12 LEU A 82 -4.061 2.082 13.412 1.00 0.00 H ATOM 1285 HD13 LEU A 82 -2.302 2.345 13.315 1.00 0.00 H ATOM 1286 H LEU A 82 -6.051 2.881 17.989 1.00 0.00 H ATOM 1287 N GLU A 83 -3.276 4.291 18.675 1.00 17.39 N ATOM 1288 CA GLU A 83 -2.282 5.194 19.238 1.00 23.03 C ATOM 1289 C GLU A 83 -1.225 4.347 19.925 1.00 19.30 C ATOM 1290 O GLU A 83 -0.015 4.651 19.817 1.00 17.44 O ATOM 1291 CB GLU A 83 -2.893 6.217 20.184 1.00 27.89 C ATOM 1292 CG GLU A 83 -3.827 7.229 19.488 1.00 31.00 C ATOM 1293 CD GLU A 83 -5.260 6.697 19.167 1.00 44.21 C ATOM 1294 OE1 GLU A 83 -5.662 5.537 19.520 1.00 35.12 O ATOM 1295 OE2 GLU A 83 -6.021 7.478 18.528 1.00 40.80 O ATOM 1296 HA GLU A 83 -1.831 5.782 18.439 1.00 0.00 H ATOM 1297 HB2 GLU A 83 -3.467 5.684 20.942 1.00 0.00 H ATOM 1298 HB3 GLU A 83 -2.084 6.769 20.663 1.00 0.00 H ATOM 1299 HG2 GLU A 83 -3.927 8.098 20.138 1.00 0.00 H ATOM 1300 HG3 GLU A 83 -3.360 7.530 18.550 1.00 0.00 H ATOM 1301 H GLU A 83 -4.264 4.335 18.996 1.00 0.00 H ATOM 1302 N GLU A 84 -1.655 3.249 20.570 1.00 17.50 N ATOM 1303 CA GLU A 84 -0.676 2.337 21.113 1.00 17.84 C ATOM 1304 C GLU A 84 0.267 1.681 20.066 1.00 16.75 C ATOM 1305 O GLU A 84 1.390 1.286 20.368 1.00 18.87 O ATOM 1306 CB GLU A 84 -1.418 1.267 21.956 1.00 17.20 C ATOM 1307 CG GLU A 84 -0.455 0.547 22.862 1.00 20.59 C ATOM 1308 CD GLU A 84 0.215 1.502 23.846 1.00 23.65 C ATOM 1309 OE1 GLU A 84 -0.464 2.408 24.368 1.00 28.29 O ATOM 1310 OE2 GLU A 84 1.420 1.332 24.107 1.00 34.63 O ATOM 1311 HA GLU A 84 -0.002 2.926 21.734 1.00 0.00 H ATOM 1312 HB2 GLU A 84 -2.184 1.754 22.560 1.00 0.00 H ATOM 1313 HB3 GLU A 84 -1.889 0.546 21.287 1.00 0.00 H ATOM 1314 HG2 GLU A 84 -0.998 -0.214 23.422 1.00 0.00 H ATOM 1315 HG3 GLU A 84 0.313 0.070 22.254 1.00 0.00 H ATOM 1316 H GLU A 84 -2.672 3.060 20.676 1.00 0.00 H ATOM 1317 N ALA A 85 -0.307 1.450 18.885 1.00 16.31 N ATOM 1318 CA ALA A 85 0.396 0.877 17.752 1.00 17.60 C ATOM 1319 C ALA A 85 1.486 1.828 17.194 1.00 17.37 C ATOM 1320 O ALA A 85 2.292 1.402 16.383 1.00 19.08 O ATOM 1321 CB ALA A 85 -0.634 0.505 16.667 1.00 21.16 C ATOM 1322 HA ALA A 85 0.921 -0.019 18.083 1.00 0.00 H ATOM 1323 HB1 ALA A 85 -1.339 -0.221 17.071 1.00 0.00 H ATOM 1324 HB2 ALA A 85 -1.171 1.401 16.355 1.00 0.00 H ATOM 1325 HB3 ALA A 85 -0.117 0.073 15.810 1.00 0.00 H ATOM 1326 H ALA A 85 -1.312 1.693 18.770 1.00 0.00 H ATOM 1327 N LEU A 86 1.572 3.095 17.630 1.00 23.86 N ATOM 1328 CA LEU A 86 2.477 4.115 17.121 1.00 20.50 C ATOM 1329 C LEU A 86 3.522 4.574 18.115 1.00 23.53 C ATOM 1330 O LEU A 86 4.204 5.582 17.913 1.00 27.53 O ATOM 1331 CB LEU A 86 1.690 5.352 16.724 1.00 21.14 C ATOM 1332 CG LEU A 86 0.517 5.040 15.844 1.00 19.10 C ATOM 1333 CD1 LEU A 86 -0.257 6.302 15.595 1.00 27.87 C ATOM 1334 CD2 LEU A 86 0.999 4.397 14.545 1.00 23.81 C ATOM 1335 HA LEU A 86 2.985 3.644 16.279 1.00 0.00 H ATOM 1336 HB2 LEU A 86 1.326 5.839 17.629 1.00 0.00 H ATOM 1337 HB3 LEU A 86 2.355 6.031 16.190 1.00 0.00 H ATOM 1338 HG LEU A 86 -0.146 4.326 16.333 1.00 0.00 H ATOM 1339 HD21 LEU A 86 1.666 5.085 14.026 1.00 0.00 H ATOM 1340 HD22 LEU A 86 1.533 3.475 14.774 1.00 0.00 H ATOM 1341 HD23 LEU A 86 0.141 4.173 13.911 1.00 0.00 H ATOM 1342 HD11 LEU A 86 -0.607 6.706 16.545 1.00 0.00 H ATOM 1343 HD12 LEU A 86 0.388 7.031 15.104 1.00 0.00 H ATOM 1344 HD13 LEU A 86 -1.112 6.082 14.955 1.00 0.00 H ATOM 1345 H LEU A 86 0.933 3.373 18.402 1.00 0.00 H ATOM 1346 N THR A 87 3.700 3.799 19.160 1.00 26.14 N ATOM 1347 CA THR A 87 4.677 4.140 20.188 1.00 26.64 C ATOM 1348 C THR A 87 6.074 3.943 19.690 1.00 22.25 C ATOM 1349 O THR A 87 7.006 4.460 20.277 1.00 28.60 O ATOM 1350 CB THR A 87 4.514 3.303 21.468 1.00 22.88 C ATOM 1351 OG1 THR A 87 4.440 1.909 21.136 1.00 25.89 O ATOM 1352 CG2 THR A 87 3.280 3.730 22.201 1.00 28.84 C ATOM 1353 HA THR A 87 4.495 5.188 20.425 1.00 0.00 H ATOM 1354 HB THR A 87 5.378 3.463 22.113 1.00 0.00 H ATOM 1355 HG1 THR A 87 3.663 1.753 20.543 1.00 0.00 H ATOM 1356 HG23 THR A 87 3.352 4.790 22.445 1.00 0.00 H ATOM 1357 HG21 THR A 87 2.407 3.560 21.570 1.00 0.00 H ATOM 1358 HG22 THR A 87 3.185 3.150 23.119 1.00 0.00 H ATOM 1359 H THR A 87 3.137 2.930 19.256 1.00 0.00 H ATOM 1360 N SER A 88 6.229 3.194 18.593 1.00 25.68 N ATOM 1361 CA SER A 88 7.535 2.886 18.024 1.00 24.74 C ATOM 1362 C SER A 88 8.201 4.155 17.474 1.00 20.63 C ATOM 1363 O SER A 88 7.508 5.144 17.161 1.00 24.34 O ATOM 1364 CB SER A 88 7.382 1.824 16.913 1.00 17.70 C ATOM 1365 OG SER A 88 7.008 0.546 17.432 1.00 10.70 O ATOM 1366 HA SER A 88 8.176 2.486 18.809 1.00 0.00 H ATOM 1367 HB2 SER A 88 8.333 1.725 16.389 1.00 0.00 H ATOM 1368 HB3 SER A 88 6.615 2.156 16.213 1.00 0.00 H ATOM 1369 HG SER A 88 6.922 -0.099 16.686 1.00 0.00 H ATOM 1370 H SER A 88 5.381 2.815 18.126 1.00 0.00 H ATOM 1371 N PRO A 89 9.555 4.125 17.293 1.00 23.98 N ATOM 1372 CA PRO A 89 10.120 5.336 16.679 1.00 27.62 C ATOM 1373 C PRO A 89 9.796 5.512 15.179 1.00 21.12 C ATOM 1374 O PRO A 89 9.727 6.601 14.638 1.00 25.54 O ATOM 1375 CB PRO A 89 11.632 5.120 16.844 1.00 33.98 C ATOM 1376 CG PRO A 89 11.761 4.305 18.084 1.00 32.65 C ATOM 1377 CD PRO A 89 10.618 3.338 17.981 1.00 29.26 C ATOM 1378 HA PRO A 89 9.710 6.230 17.148 1.00 0.00 H ATOM 1379 HD3 PRO A 89 10.899 2.464 17.393 1.00 0.00 H ATOM 1380 HD2 PRO A 89 10.288 3.018 18.969 1.00 0.00 H ATOM 1381 HG3 PRO A 89 11.667 4.928 18.973 1.00 0.00 H ATOM 1382 HG2 PRO A 89 12.716 3.780 18.109 1.00 0.00 H ATOM 1383 HB2 PRO A 89 12.041 4.585 15.987 1.00 0.00 H ATOM 1384 HB3 PRO A 89 12.148 6.074 16.955 1.00 0.00 H ATOM 1385 N GLU A 90 9.596 4.418 14.495 1.00 17.33 N ATOM 1386 CA GLU A 90 9.205 4.500 13.056 1.00 14.98 C ATOM 1387 C GLU A 90 8.263 3.371 12.734 1.00 13.02 C ATOM 1388 O GLU A 90 8.644 2.238 12.906 1.00 12.45 O ATOM 1389 CB GLU A 90 10.441 4.391 12.222 1.00 18.62 C ATOM 1390 CG GLU A 90 10.060 4.383 10.750 1.00 13.96 C ATOM 1391 CD GLU A 90 11.202 4.743 9.779 1.00 19.42 C ATOM 1392 OE1 GLU A 90 12.192 5.351 10.226 1.00 25.54 O ATOM 1393 OE2 GLU A 90 11.106 4.425 8.539 1.00 14.05 O ATOM 1394 HA GLU A 90 8.706 5.447 12.849 1.00 0.00 H ATOM 1395 HB2 GLU A 90 11.092 5.241 12.424 1.00 0.00 H ATOM 1396 HB3 GLU A 90 10.965 3.467 12.467 1.00 0.00 H ATOM 1397 HG2 GLU A 90 9.704 3.384 10.498 1.00 0.00 H ATOM 1398 HG3 GLU A 90 9.254 5.102 10.605 1.00 0.00 H ATOM 1399 H GLU A 90 9.709 3.491 14.952 1.00 0.00 H ATOM 1400 N THR A 91 7.056 3.735 12.277 1.00 10.35 N ATOM 1401 CA THR A 91 5.966 2.831 12.094 1.00 8.67 C ATOM 1402 C THR A 91 5.399 2.959 10.672 1.00 9.12 C ATOM 1403 O THR A 91 5.088 4.098 10.229 1.00 10.95 O ATOM 1404 CB THR A 91 4.808 3.105 13.070 1.00 9.73 C ATOM 1405 OG1 THR A 91 5.313 3.153 14.422 1.00 15.94 O ATOM 1406 CG2 THR A 91 3.735 2.105 13.017 1.00 13.21 C ATOM 1407 HA THR A 91 6.365 1.833 12.276 1.00 0.00 H ATOM 1408 HB THR A 91 4.380 4.059 12.763 1.00 0.00 H ATOM 1409 HG1 THR A 91 5.984 3.877 14.497 1.00 0.00 H ATOM 1410 HG23 THR A 91 3.339 2.052 12.003 1.00 0.00 H ATOM 1411 HG21 THR A 91 4.133 1.132 13.304 1.00 0.00 H ATOM 1412 HG22 THR A 91 2.939 2.391 13.705 1.00 0.00 H ATOM 1413 H THR A 91 6.905 4.737 12.042 1.00 0.00 H ATOM 1414 N TRP A 92 5.235 1.829 10.001 1.00 8.04 N ATOM 1415 CA TRP A 92 4.603 1.748 8.665 1.00 6.14 C ATOM 1416 C TRP A 92 3.290 1.030 8.795 1.00 5.53 C ATOM 1417 O TRP A 92 3.284 -0.156 9.211 1.00 8.34 O ATOM 1418 CB TRP A 92 5.544 1.084 7.703 1.00 6.86 C ATOM 1419 CG TRP A 92 6.696 1.991 7.424 1.00 6.84 C ATOM 1420 CD1 TRP A 92 7.970 2.022 8.033 1.00 8.89 C ATOM 1421 CD2 TRP A 92 6.687 3.109 6.529 1.00 6.40 C ATOM 1422 NE1 TRP A 92 8.733 3.065 7.546 1.00 8.46 N ATOM 1423 CE2 TRP A 92 7.998 3.759 6.641 1.00 7.19 C ATOM 1424 CE3 TRP A 92 5.753 3.631 5.632 1.00 6.97 C ATOM 1425 CZ2 TRP A 92 8.320 4.914 5.944 1.00 7.14 C ATOM 1426 CZ3 TRP A 92 6.088 4.807 4.888 1.00 7.88 C ATOM 1427 CH2 TRP A 92 7.338 5.420 5.078 1.00 7.44 C ATOM 1428 HA TRP A 92 4.397 2.741 8.266 1.00 0.00 H ATOM 1429 HB2 TRP A 92 5.911 0.154 8.137 1.00 0.00 H ATOM 1430 HB3 TRP A 92 5.019 0.867 6.773 1.00 0.00 H ATOM 1431 HE1 TRP A 92 9.710 3.283 7.827 1.00 0.00 H ATOM 1432 HD1 TRP A 92 8.307 1.314 8.790 1.00 0.00 H ATOM 1433 HZ2 TRP A 92 9.286 5.404 6.063 1.00 0.00 H ATOM 1434 HH2 TRP A 92 7.556 6.334 4.525 1.00 0.00 H ATOM 1435 HZ3 TRP A 92 5.376 5.226 4.177 1.00 0.00 H ATOM 1436 HE3 TRP A 92 4.784 3.150 5.500 1.00 0.00 H ATOM 1437 H TRP A 92 5.570 0.947 10.438 1.00 0.00 H ATOM 1438 N VAL A 93 2.189 1.664 8.410 1.00 6.97 N ATOM 1439 CA VAL A 93 0.855 1.030 8.389 1.00 5.55 C ATOM 1440 C VAL A 93 0.694 0.383 7.022 1.00 6.02 C ATOM 1441 O VAL A 93 0.866 1.023 5.974 1.00 6.69 O ATOM 1442 CB VAL A 93 -0.188 2.121 8.606 1.00 7.19 C ATOM 1443 CG1 VAL A 93 -1.577 1.528 8.496 1.00 9.40 C ATOM 1444 CG2 VAL A 93 0.036 2.796 10.005 1.00 10.34 C ATOM 1445 HA VAL A 93 0.736 0.276 9.167 1.00 0.00 H ATOM 1446 HB VAL A 93 -0.085 2.889 7.839 1.00 0.00 H ATOM 1447 HG11 VAL A 93 -1.708 1.094 7.505 1.00 0.00 H ATOM 1448 HG12 VAL A 93 -1.701 0.753 9.253 1.00 0.00 H ATOM 1449 HG13 VAL A 93 -2.319 2.312 8.652 1.00 0.00 H ATOM 1450 HG21 VAL A 93 -0.058 2.044 10.789 1.00 0.00 H ATOM 1451 HG22 VAL A 93 1.033 3.236 10.039 1.00 0.00 H ATOM 1452 HG23 VAL A 93 -0.712 3.575 10.155 1.00 0.00 H ATOM 1453 H VAL A 93 2.270 2.656 8.108 1.00 0.00 H ATOM 1454 N ILE A 94 0.353 -0.902 7.055 1.00 5.93 N ATOM 1455 CA ILE A 94 0.381 -1.697 5.806 1.00 5.65 C ATOM 1456 C ILE A 94 -0.991 -2.153 5.349 1.00 6.61 C ATOM 1457 O ILE A 94 -1.075 -2.829 4.291 1.00 8.80 O ATOM 1458 CB ILE A 94 1.398 -2.897 5.995 1.00 7.09 C ATOM 1459 CG1 ILE A 94 0.820 -4.015 6.865 1.00 7.72 C ATOM 1460 CG2 ILE A 94 2.793 -2.483 6.463 1.00 7.55 C ATOM 1461 CD1 ILE A 94 1.624 -5.283 6.928 1.00 9.68 C ATOM 1462 HA ILE A 94 0.727 -1.057 4.994 1.00 0.00 H ATOM 1463 HB ILE A 94 1.540 -3.293 4.990 1.00 0.00 H ATOM 1464 HG12 ILE A 94 0.722 -3.631 7.880 1.00 0.00 H ATOM 1465 HG13 ILE A 94 -0.167 -4.265 6.476 1.00 0.00 H ATOM 1466 HD11 ILE A 94 1.723 -5.699 5.925 1.00 0.00 H ATOM 1467 HD12 ILE A 94 2.613 -5.065 7.332 1.00 0.00 H ATOM 1468 HD13 ILE A 94 1.117 -6.001 7.573 1.00 0.00 H ATOM 1469 HG21 ILE A 94 3.235 -1.807 5.731 1.00 0.00 H ATOM 1470 HG22 ILE A 94 2.717 -1.978 7.426 1.00 0.00 H ATOM 1471 HG23 ILE A 94 3.419 -3.370 6.564 1.00 0.00 H ATOM 1472 H ILE A 94 0.069 -1.345 7.952 1.00 0.00 H ATOM 1473 N GLY A 95 -2.061 -1.798 6.079 1.00 7.75 N ATOM 1474 CA GLY A 95 -3.417 -2.156 5.726 1.00 8.34 C ATOM 1475 C GLY A 95 -4.177 -2.714 6.921 1.00 7.27 C ATOM 1476 O GLY A 95 -3.569 -2.909 8.014 1.00 9.32 O ATOM 1477 HA3 GLY A 95 -3.391 -2.910 4.939 1.00 0.00 H ATOM 1478 HA2 GLY A 95 -3.934 -1.269 5.360 1.00 0.00 H ATOM 1479 H GLY A 95 -1.907 -1.238 6.941 1.00 0.00 H ATOM 1480 N GLY A 96 -5.466 -2.957 6.750 1.00 7.44 N ATOM 1481 CA GLY A 96 -6.264 -2.687 5.554 1.00 9.05 C ATOM 1482 C GLY A 96 -6.956 -1.348 5.617 1.00 8.76 C ATOM 1483 O GLY A 96 -6.475 -0.408 6.267 1.00 9.41 O ATOM 1484 HA3 GLY A 96 -7.018 -3.467 5.452 1.00 0.00 H ATOM 1485 HA2 GLY A 96 -5.608 -2.702 4.684 1.00 0.00 H ATOM 1486 H GLY A 96 -5.967 -3.387 7.554 1.00 0.00 H ATOM 1487 N GLY A 97 -8.097 -1.248 4.954 1.00 11.07 N ATOM 1488 CA GLY A 97 -8.754 0.060 4.847 1.00 11.02 C ATOM 1489 C GLY A 97 -9.173 0.668 6.193 1.00 9.01 C ATOM 1490 O GLY A 97 -9.108 1.898 6.379 1.00 10.53 O ATOM 1491 HA3 GLY A 97 -9.646 -0.055 4.231 1.00 0.00 H ATOM 1492 HA2 GLY A 97 -8.065 0.750 4.360 1.00 0.00 H ATOM 1493 H GLY A 97 -8.524 -2.088 4.513 1.00 0.00 H ATOM 1494 N GLN A 98 -9.603 -0.184 7.141 1.00 9.87 N ATOM 1495 CA GLN A 98 -10.018 0.402 8.412 1.00 12.56 C ATOM 1496 C GLN A 98 -8.802 1.033 9.131 1.00 9.44 C ATOM 1497 O GLN A 98 -8.840 2.134 9.680 1.00 10.79 O ATOM 1498 CB GLN A 98 -10.641 -0.622 9.366 1.00 13.73 C ATOM 1499 CG GLN A 98 -11.959 -1.227 8.839 1.00 14.23 C ATOM 1500 CD GLN A 98 -12.629 -2.098 9.854 1.00 13.49 C ATOM 1501 OE1 GLN A 98 -12.430 -1.916 11.045 1.00 14.41 O ATOM 1502 NE2 GLN A 98 -13.425 -3.037 9.404 1.00 24.43 N ATOM 1503 HA GLN A 98 -10.770 1.152 8.166 1.00 0.00 H ATOM 1504 HB2 GLN A 98 -9.926 -1.431 9.520 1.00 0.00 H ATOM 1505 HB3 GLN A 98 -10.842 -0.130 10.318 1.00 0.00 H ATOM 1506 HG2 GLN A 98 -12.636 -0.415 8.572 1.00 0.00 H ATOM 1507 HG3 GLN A 98 -11.742 -1.824 7.953 1.00 0.00 H ATOM 1508 HE22 GLN A 98 -13.564 -3.154 8.380 1.00 0.00 H ATOM 1509 HE21 GLN A 98 -13.918 -3.665 10.071 1.00 0.00 H ATOM 1510 H GLN A 98 -9.638 -1.210 6.976 1.00 0.00 H ATOM 1511 N VAL A 99 -7.688 0.316 9.146 1.00 9.27 N ATOM 1512 CA VAL A 99 -6.476 0.836 9.760 1.00 9.30 C ATOM 1513 C VAL A 99 -5.893 2.056 9.028 1.00 10.16 C ATOM 1514 O VAL A 99 -5.464 3.013 9.654 1.00 8.94 O ATOM 1515 CB VAL A 99 -5.435 -0.266 9.999 1.00 9.41 C ATOM 1516 CG1 VAL A 99 -4.235 0.338 10.725 1.00 12.99 C ATOM 1517 CG2 VAL A 99 -5.974 -1.308 10.926 1.00 9.97 C ATOM 1518 HA VAL A 99 -6.772 1.209 10.741 1.00 0.00 H ATOM 1519 HB VAL A 99 -5.175 -0.695 9.031 1.00 0.00 H ATOM 1520 HG11 VAL A 99 -3.802 1.129 10.113 1.00 0.00 H ATOM 1521 HG12 VAL A 99 -4.560 0.752 11.679 1.00 0.00 H ATOM 1522 HG13 VAL A 99 -3.489 -0.438 10.899 1.00 0.00 H ATOM 1523 HG21 VAL A 99 -6.227 -0.847 11.881 1.00 0.00 H ATOM 1524 HG22 VAL A 99 -6.867 -1.754 10.489 1.00 0.00 H ATOM 1525 HG23 VAL A 99 -5.220 -2.079 11.082 1.00 0.00 H ATOM 1526 H VAL A 99 -7.680 -0.630 8.714 1.00 0.00 H ATOM 1527 N TYR A 100 -5.917 2.052 7.715 1.00 10.88 N ATOM 1528 CA TYR A 100 -5.424 3.247 6.967 1.00 9.92 C ATOM 1529 C TYR A 100 -6.226 4.478 7.433 1.00 10.46 C ATOM 1530 O TYR A 100 -5.699 5.578 7.654 1.00 11.06 O ATOM 1531 CB TYR A 100 -5.556 3.082 5.477 1.00 9.70 C ATOM 1532 CG TYR A 100 -4.567 2.224 4.804 1.00 7.33 C ATOM 1533 CD1 TYR A 100 -3.155 2.325 5.087 1.00 8.34 C ATOM 1534 CD2 TYR A 100 -4.929 1.301 3.853 1.00 8.02 C ATOM 1535 CE1 TYR A 100 -2.201 1.592 4.434 1.00 6.81 C ATOM 1536 CE2 TYR A 100 -3.981 0.512 3.167 1.00 9.21 C ATOM 1537 CZ TYR A 100 -2.609 0.686 3.464 1.00 8.12 C ATOM 1538 OH TYR A 100 -1.731 -0.148 2.814 1.00 8.18 O ATOM 1539 HA TYR A 100 -4.362 3.373 7.179 1.00 0.00 H ATOM 1540 HB3 TYR A 100 -5.488 4.074 5.030 1.00 0.00 H ATOM 1541 HB2 TYR A 100 -6.543 2.663 5.280 1.00 0.00 H ATOM 1542 HD2 TYR A 100 -5.986 1.173 3.620 1.00 0.00 H ATOM 1543 HE2 TYR A 100 -4.300 -0.217 2.423 1.00 0.00 H ATOM 1544 HE1 TYR A 100 -1.144 1.717 4.670 1.00 0.00 H ATOM 1545 HD1 TYR A 100 -2.832 3.021 5.861 1.00 0.00 H ATOM 1546 HH TYR A 100 -1.941 -1.088 3.042 1.00 0.00 H ATOM 1547 H TYR A 100 -6.277 1.223 7.200 1.00 0.00 H ATOM 1548 N ALA A 101 -7.551 4.330 7.514 1.00 9.73 N ATOM 1549 CA ALA A 101 -8.451 5.468 7.835 1.00 12.46 C ATOM 1550 C ALA A 101 -8.102 5.961 9.257 1.00 11.67 C ATOM 1551 O ALA A 101 -8.097 7.171 9.505 1.00 13.94 O ATOM 1552 CB ALA A 101 -9.923 4.993 7.753 1.00 13.46 C ATOM 1553 HA ALA A 101 -8.322 6.287 7.127 1.00 0.00 H ATOM 1554 HB1 ALA A 101 -10.132 4.634 6.745 1.00 0.00 H ATOM 1555 HB2 ALA A 101 -10.083 4.186 8.468 1.00 0.00 H ATOM 1556 HB3 ALA A 101 -10.586 5.826 7.988 1.00 0.00 H ATOM 1557 H ALA A 101 -7.965 3.391 7.347 1.00 0.00 H ATOM 1558 N LEU A 102 -7.847 5.051 10.206 1.00 12.15 N ATOM 1559 CA LEU A 102 -7.444 5.472 11.585 1.00 11.77 C ATOM 1560 C LEU A 102 -6.133 6.126 11.633 1.00 10.28 C ATOM 1561 O LEU A 102 -5.911 7.047 12.432 1.00 13.59 O ATOM 1562 CB LEU A 102 -7.476 4.241 12.503 1.00 12.11 C ATOM 1563 CG LEU A 102 -8.842 3.644 12.828 1.00 13.86 C ATOM 1564 CD1 LEU A 102 -8.648 2.282 13.484 1.00 15.15 C ATOM 1565 CD2 LEU A 102 -9.628 4.521 13.794 1.00 17.57 C ATOM 1566 HA LEU A 102 -8.156 6.222 11.928 1.00 0.00 H ATOM 1567 HB2 LEU A 102 -6.883 3.461 12.026 1.00 0.00 H ATOM 1568 HB3 LEU A 102 -7.009 4.524 13.447 1.00 0.00 H ATOM 1569 HG LEU A 102 -9.398 3.563 11.894 1.00 0.00 H ATOM 1570 HD21 LEU A 102 -9.070 4.626 14.724 1.00 0.00 H ATOM 1571 HD22 LEU A 102 -9.781 5.504 13.348 1.00 0.00 H ATOM 1572 HD23 LEU A 102 -10.594 4.059 13.998 1.00 0.00 H ATOM 1573 HD11 LEU A 102 -8.113 1.624 12.800 1.00 0.00 H ATOM 1574 HD12 LEU A 102 -8.072 2.401 14.401 1.00 0.00 H ATOM 1575 HD13 LEU A 102 -9.621 1.851 13.718 1.00 0.00 H ATOM 1576 H LEU A 102 -7.930 4.039 9.982 1.00 0.00 H ATOM 1577 N ALA A 103 -5.223 5.622 10.788 1.00 9.55 N ATOM 1578 CA ALA A 103 -3.846 6.072 10.860 1.00 8.47 C ATOM 1579 C ALA A 103 -3.544 7.372 10.079 1.00 10.41 C ATOM 1580 O ALA A 103 -2.573 8.097 10.441 1.00 10.52 O ATOM 1581 CB ALA A 103 -2.892 5.036 10.400 1.00 9.05 C ATOM 1582 HA ALA A 103 -3.711 6.279 11.922 1.00 0.00 H ATOM 1583 HB1 ALA A 103 -2.991 4.149 11.026 1.00 0.00 H ATOM 1584 HB2 ALA A 103 -3.110 4.778 9.364 1.00 0.00 H ATOM 1585 HB3 ALA A 103 -1.875 5.422 10.473 1.00 0.00 H ATOM 1586 H ALA A 103 -5.503 4.911 10.083 1.00 0.00 H ATOM 1587 N LEU A 104 -4.320 7.650 9.034 1.00 11.14 N ATOM 1588 CA LEU A 104 -4.021 8.773 8.153 1.00 12.23 C ATOM 1589 C LEU A 104 -3.798 10.110 8.896 1.00 12.58 C ATOM 1590 O LEU A 104 -2.893 10.834 8.636 1.00 13.37 O ATOM 1591 CB LEU A 104 -5.102 8.862 7.088 1.00 14.13 C ATOM 1592 CG LEU A 104 -4.989 10.025 6.084 1.00 16.29 C ATOM 1593 CD1 LEU A 104 -3.678 10.115 5.315 1.00 15.25 C ATOM 1594 CD2 LEU A 104 -6.190 9.955 5.103 1.00 21.09 C ATOM 1595 HA LEU A 104 -3.060 8.582 7.675 1.00 0.00 H ATOM 1596 HB2 LEU A 104 -5.084 7.932 6.520 1.00 0.00 H ATOM 1597 HB3 LEU A 104 -6.061 8.957 7.597 1.00 0.00 H ATOM 1598 HG LEU A 104 -5.006 10.937 6.681 1.00 0.00 H ATOM 1599 HD21 LEU A 104 -6.169 9.003 4.572 1.00 0.00 H ATOM 1600 HD22 LEU A 104 -7.121 10.039 5.664 1.00 0.00 H ATOM 1601 HD23 LEU A 104 -6.121 10.774 4.387 1.00 0.00 H ATOM 1602 HD11 LEU A 104 -2.854 10.239 6.018 1.00 0.00 H ATOM 1603 HD12 LEU A 104 -3.532 9.201 4.739 1.00 0.00 H ATOM 1604 HD13 LEU A 104 -3.712 10.970 4.639 1.00 0.00 H ATOM 1605 H LEU A 104 -5.153 7.057 8.843 1.00 0.00 H ATOM 1606 N PRO A 105 -4.614 10.452 9.926 1.00 12.78 N ATOM 1607 CA PRO A 105 -4.366 11.700 10.675 1.00 11.74 C ATOM 1608 C PRO A 105 -3.009 11.767 11.398 1.00 14.07 C ATOM 1609 O PRO A 105 -2.565 12.896 11.659 1.00 16.45 O ATOM 1610 CB PRO A 105 -5.550 11.708 11.695 1.00 17.26 C ATOM 1611 CG PRO A 105 -6.612 10.932 11.019 1.00 16.53 C ATOM 1612 CD PRO A 105 -5.837 9.762 10.350 1.00 14.87 C ATOM 1613 HA PRO A 105 -4.319 12.562 10.009 1.00 0.00 H ATOM 1614 HD3 PRO A 105 -5.622 8.964 11.061 1.00 0.00 H ATOM 1615 HD2 PRO A 105 -6.383 9.353 9.500 1.00 0.00 H ATOM 1616 HG3 PRO A 105 -7.123 11.539 10.272 1.00 0.00 H ATOM 1617 HG2 PRO A 105 -7.339 10.557 11.739 1.00 0.00 H ATOM 1618 HB2 PRO A 105 -5.258 11.232 12.631 1.00 0.00 H ATOM 1619 HB3 PRO A 105 -5.882 12.727 11.895 1.00 0.00 H ATOM 1620 N TYR A 106 -2.385 10.656 11.789 1.00 10.42 N ATOM 1621 CA TYR A 106 -1.033 10.641 12.365 1.00 13.32 C ATOM 1622 C TYR A 106 0.050 10.637 11.369 1.00 11.53 C ATOM 1623 O TYR A 106 1.156 10.828 11.752 1.00 13.22 O ATOM 1624 CB TYR A 106 -0.907 9.413 13.304 1.00 14.39 C ATOM 1625 CG TYR A 106 -1.968 9.396 14.429 1.00 16.33 C ATOM 1626 CD1 TYR A 106 -1.736 10.055 15.603 1.00 18.64 C ATOM 1627 CD2 TYR A 106 -3.180 8.697 14.302 1.00 18.89 C ATOM 1628 CE1 TYR A 106 -2.697 10.055 16.598 1.00 22.08 C ATOM 1629 CE2 TYR A 106 -4.115 8.671 15.314 1.00 20.41 C ATOM 1630 CZ TYR A 106 -3.861 9.365 16.472 1.00 21.38 C ATOM 1631 OH TYR A 106 -4.740 9.446 17.512 1.00 32.73 O ATOM 1632 HA TYR A 106 -0.911 11.574 12.916 1.00 0.00 H ATOM 1633 HB3 TYR A 106 0.083 9.426 13.761 1.00 0.00 H ATOM 1634 HB2 TYR A 106 -1.019 8.507 12.708 1.00 0.00 H ATOM 1635 HD2 TYR A 106 -3.387 8.160 13.376 1.00 0.00 H ATOM 1636 HE2 TYR A 106 -5.041 8.109 15.197 1.00 0.00 H ATOM 1637 HE1 TYR A 106 -2.515 10.625 17.509 1.00 0.00 H ATOM 1638 HD1 TYR A 106 -0.794 10.581 15.756 1.00 0.00 H ATOM 1639 HH TYR A 106 -4.930 8.536 17.853 1.00 0.00 H ATOM 1640 H TYR A 106 -2.883 9.749 11.680 1.00 0.00 H ATOM 1641 N ALA A 107 -0.293 10.245 10.146 1.00 10.18 N ATOM 1642 CA ALA A 107 0.786 10.005 9.167 1.00 8.94 C ATOM 1643 C ALA A 107 1.397 11.278 8.638 1.00 7.57 C ATOM 1644 O ALA A 107 0.679 12.254 8.324 1.00 8.77 O ATOM 1645 CB ALA A 107 0.234 9.167 8.009 1.00 9.71 C ATOM 1646 HA ALA A 107 1.584 9.470 9.683 1.00 0.00 H ATOM 1647 HB1 ALA A 107 -0.132 8.215 8.393 1.00 0.00 H ATOM 1648 HB2 ALA A 107 -0.584 9.705 7.530 1.00 0.00 H ATOM 1649 HB3 ALA A 107 1.027 8.987 7.283 1.00 0.00 H ATOM 1650 H ALA A 107 -1.291 10.111 9.887 1.00 0.00 H ATOM 1651 N THR A 108 2.715 11.223 8.483 1.00 7.02 N ATOM 1652 CA THR A 108 3.493 12.293 7.883 1.00 8.11 C ATOM 1653 C THR A 108 4.250 11.853 6.662 1.00 7.74 C ATOM 1654 O THR A 108 4.893 12.688 6.033 1.00 7.30 O ATOM 1655 CB THR A 108 4.389 12.954 8.936 1.00 8.84 C ATOM 1656 OG1 THR A 108 5.294 11.933 9.540 1.00 10.40 O ATOM 1657 CG2 THR A 108 3.591 13.791 9.948 1.00 11.67 C ATOM 1658 HA THR A 108 2.795 13.048 7.520 1.00 0.00 H ATOM 1659 HB THR A 108 5.030 13.690 8.451 1.00 0.00 H ATOM 1660 HG1 THR A 108 4.751 11.225 9.969 1.00 0.00 H ATOM 1661 HG23 THR A 108 2.963 14.504 9.413 1.00 0.00 H ATOM 1662 HG21 THR A 108 2.964 13.132 10.549 1.00 0.00 H ATOM 1663 HG22 THR A 108 4.282 14.329 10.598 1.00 0.00 H ATOM 1664 H THR A 108 3.215 10.371 8.808 1.00 0.00 H ATOM 1665 N ARG A 109 4.219 10.558 6.315 1.00 6.29 N ATOM 1666 CA ARG A 109 4.835 10.049 5.086 1.00 6.39 C ATOM 1667 C ARG A 109 3.898 9.025 4.455 1.00 7.31 C ATOM 1668 O ARG A 109 3.185 8.270 5.158 1.00 6.46 O ATOM 1669 CB ARG A 109 6.163 9.392 5.327 1.00 7.04 C ATOM 1670 CG ARG A 109 7.283 10.401 5.666 1.00 9.02 C ATOM 1671 CD ARG A 109 8.690 9.784 5.799 1.00 10.41 C ATOM 1672 NE ARG A 109 9.049 8.966 4.625 1.00 9.26 N ATOM 1673 CZ ARG A 109 10.016 8.034 4.593 1.00 9.24 C ATOM 1674 NH1 ARG A 109 10.721 7.804 5.715 1.00 10.27 N ATOM 1675 NH2 ARG A 109 10.189 7.280 3.508 1.00 9.40 N ATOM 1676 HA ARG A 109 5.003 10.903 4.430 1.00 0.00 H ATOM 1677 HB2 ARG A 109 6.060 8.695 6.158 1.00 0.00 H ATOM 1678 HB3 ARG A 109 6.448 8.845 4.429 1.00 0.00 H ATOM 1679 HG2 ARG A 109 7.315 11.151 4.876 1.00 0.00 H ATOM 1680 HG3 ARG A 109 7.032 10.881 6.612 1.00 0.00 H ATOM 1681 HD2 ARG A 109 8.716 9.154 6.688 1.00 0.00 H ATOM 1682 HD3 ARG A 109 9.418 10.588 5.904 1.00 0.00 H ATOM 1683 HE ARG A 109 8.509 9.124 3.750 1.00 0.00 H ATOM 1684 HH12 ARG A 109 11.475 7.088 5.718 1.00 0.00 H ATOM 1685 HH11 ARG A 109 10.512 8.342 6.580 1.00 0.00 H ATOM 1686 HH22 ARG A 109 10.939 6.560 3.489 1.00 0.00 H ATOM 1687 HH21 ARG A 109 9.574 7.411 2.680 1.00 0.00 H ATOM 1688 H ARG A 109 3.737 9.886 6.945 1.00 0.00 H ATOM 1689 N CYS A 110 3.842 9.018 3.129 1.00 6.91 N ATOM 1690 CA CYS A 110 3.269 7.935 2.347 1.00 5.52 C ATOM 1691 C CYS A 110 4.267 7.431 1.336 1.00 5.10 C ATOM 1692 O CYS A 110 4.951 8.243 0.687 1.00 6.79 O ATOM 1693 CB CYS A 110 1.998 8.381 1.586 1.00 8.42 C ATOM 1694 SG CYS A 110 0.616 8.805 2.644 1.00 8.81 S ATOM 1695 HA CYS A 110 3.004 7.147 3.052 1.00 0.00 H ATOM 1696 HB2 CYS A 110 1.689 7.567 0.930 1.00 0.00 H ATOM 1697 HB3 CYS A 110 2.249 9.255 0.985 1.00 0.00 H ATOM 1698 HG CYS A 110 -0.458 9.186 1.865 1.00 0.00 H ATOM 1699 H CYS A 110 4.231 9.836 2.619 1.00 0.00 H ATOM 1700 N GLU A 111 4.387 6.122 1.191 1.00 5.99 N ATOM 1701 CA GLU A 111 5.256 5.506 0.172 1.00 5.66 C ATOM 1702 C GLU A 111 4.362 4.671 -0.644 1.00 5.74 C ATOM 1703 O GLU A 111 3.789 3.677 -0.153 1.00 6.62 O ATOM 1704 CB GLU A 111 6.386 4.673 0.805 1.00 6.12 C ATOM 1705 CG GLU A 111 7.402 5.592 1.437 1.00 7.54 C ATOM 1706 CD GLU A 111 8.254 6.447 0.510 1.00 8.08 C ATOM 1707 OE1 GLU A 111 8.371 6.071 -0.681 1.00 8.62 O ATOM 1708 OE2 GLU A 111 8.807 7.468 1.018 1.00 9.64 O ATOM 1709 HA GLU A 111 5.763 6.262 -0.427 1.00 0.00 H ATOM 1710 HB2 GLU A 111 5.968 4.015 1.567 1.00 0.00 H ATOM 1711 HB3 GLU A 111 6.870 4.073 0.034 1.00 0.00 H ATOM 1712 HG2 GLU A 111 6.862 6.268 2.100 1.00 0.00 H ATOM 1713 HG3 GLU A 111 8.080 4.973 2.025 1.00 0.00 H ATOM 1714 H GLU A 111 3.844 5.500 1.824 1.00 0.00 H ATOM 1715 N VAL A 112 4.101 5.094 -1.891 1.00 4.93 N ATOM 1716 CA VAL A 112 3.085 4.464 -2.727 1.00 5.63 C ATOM 1717 C VAL A 112 3.719 3.829 -3.932 1.00 5.31 C ATOM 1718 O VAL A 112 4.690 4.364 -4.491 1.00 6.12 O ATOM 1719 CB VAL A 112 2.010 5.480 -3.204 1.00 5.54 C ATOM 1720 CG1 VAL A 112 0.883 4.782 -3.998 1.00 6.42 C ATOM 1721 CG2 VAL A 112 1.382 6.202 -1.979 1.00 8.75 C ATOM 1722 HA VAL A 112 2.597 3.706 -2.114 1.00 0.00 H ATOM 1723 HB VAL A 112 2.506 6.199 -3.856 1.00 0.00 H ATOM 1724 HG11 VAL A 112 1.307 4.292 -4.874 1.00 0.00 H ATOM 1725 HG12 VAL A 112 0.399 4.040 -3.363 1.00 0.00 H ATOM 1726 HG13 VAL A 112 0.150 5.524 -4.315 1.00 0.00 H ATOM 1727 HG21 VAL A 112 0.916 5.466 -1.325 1.00 0.00 H ATOM 1728 HG22 VAL A 112 2.162 6.733 -1.433 1.00 0.00 H ATOM 1729 HG23 VAL A 112 0.630 6.912 -2.323 1.00 0.00 H ATOM 1730 H VAL A 112 4.640 5.897 -2.273 1.00 0.00 H ATOM 1731 N THR A 113 3.203 2.690 -4.402 1.00 4.75 N ATOM 1732 CA THR A 113 3.551 2.107 -5.701 1.00 5.08 C ATOM 1733 C THR A 113 2.323 2.242 -6.537 1.00 4.53 C ATOM 1734 O THR A 113 1.267 1.778 -6.108 1.00 5.53 O ATOM 1735 CB THR A 113 3.888 0.602 -5.578 1.00 5.06 C ATOM 1736 OG1 THR A 113 4.972 0.486 -4.659 1.00 6.14 O ATOM 1737 CG2 THR A 113 4.282 0.055 -6.954 1.00 7.44 C ATOM 1738 HA THR A 113 4.423 2.608 -6.120 1.00 0.00 H ATOM 1739 HB THR A 113 3.032 0.030 -5.221 1.00 0.00 H ATOM 1740 HG1 THR A 113 5.215 -0.468 -4.556 1.00 0.00 H ATOM 1741 HG23 THR A 113 3.439 0.154 -7.638 1.00 0.00 H ATOM 1742 HG21 THR A 113 5.132 0.619 -7.338 1.00 0.00 H ATOM 1743 HG22 THR A 113 4.554 -0.996 -6.861 1.00 0.00 H ATOM 1744 H THR A 113 2.512 2.186 -3.810 1.00 0.00 H ATOM 1745 N GLU A 114 2.417 2.989 -7.648 1.00 5.00 N ATOM 1746 CA GLU A 114 1.311 3.012 -8.646 1.00 4.78 C ATOM 1747 C GLU A 114 1.671 1.978 -9.739 1.00 4.69 C ATOM 1748 O GLU A 114 2.709 2.062 -10.389 1.00 6.00 O ATOM 1749 CB GLU A 114 1.150 4.398 -9.284 1.00 6.15 C ATOM 1750 CG GLU A 114 -0.063 4.388 -10.228 1.00 7.29 C ATOM 1751 CD GLU A 114 -0.199 5.621 -11.073 1.00 7.47 C ATOM 1752 OE1 GLU A 114 0.466 6.617 -10.826 1.00 7.71 O ATOM 1753 OE2 GLU A 114 -1.032 5.593 -12.017 1.00 10.50 O ATOM 1754 HA GLU A 114 0.367 2.774 -8.155 1.00 0.00 H ATOM 1755 HB2 GLU A 114 0.997 5.143 -8.503 1.00 0.00 H ATOM 1756 HB3 GLU A 114 2.049 4.645 -9.849 1.00 0.00 H ATOM 1757 HG2 GLU A 114 0.027 3.528 -10.891 1.00 0.00 H ATOM 1758 HG3 GLU A 114 -0.965 4.287 -9.624 1.00 0.00 H ATOM 1759 H GLU A 114 3.271 3.558 -7.814 1.00 0.00 H ATOM 1760 N VAL A 115 0.684 1.065 -9.924 1.00 4.99 N ATOM 1761 CA VAL A 115 0.788 0.049 -10.978 1.00 4.88 C ATOM 1762 C VAL A 115 0.021 0.557 -12.187 1.00 6.12 C ATOM 1763 O VAL A 115 -1.150 0.943 -12.052 1.00 5.44 O ATOM 1764 CB VAL A 115 0.284 -1.302 -10.439 1.00 4.38 C ATOM 1765 CG1 VAL A 115 0.324 -2.297 -11.530 1.00 6.63 C ATOM 1766 CG2 VAL A 115 0.987 -1.712 -9.168 1.00 6.75 C ATOM 1767 HA VAL A 115 1.819 -0.121 -11.289 1.00 0.00 H ATOM 1768 HB VAL A 115 -0.757 -1.216 -10.126 1.00 0.00 H ATOM 1769 HG11 VAL A 115 -0.315 -1.964 -12.347 1.00 0.00 H ATOM 1770 HG12 VAL A 115 1.348 -2.401 -11.888 1.00 0.00 H ATOM 1771 HG13 VAL A 115 -0.031 -3.258 -11.157 1.00 0.00 H ATOM 1772 HG21 VAL A 115 2.056 -1.803 -9.359 1.00 0.00 H ATOM 1773 HG22 VAL A 115 0.816 -0.957 -8.400 1.00 0.00 H ATOM 1774 HG23 VAL A 115 0.594 -2.671 -8.830 1.00 0.00 H ATOM 1775 H VAL A 115 -0.156 1.086 -9.311 1.00 0.00 H ATOM 1776 N ASP A 116 0.698 0.552 -13.358 1.00 6.45 N ATOM 1777 CA ASP A 116 0.013 1.010 -14.600 1.00 7.03 C ATOM 1778 C ASP A 116 -0.880 -0.094 -15.143 1.00 6.24 C ATOM 1779 O ASP A 116 -0.516 -0.871 -16.030 1.00 6.68 O ATOM 1780 CB ASP A 116 1.082 1.389 -15.594 1.00 5.52 C ATOM 1781 CG ASP A 116 0.549 2.144 -16.794 1.00 6.50 C ATOM 1782 OD1 ASP A 116 -0.631 2.515 -16.814 1.00 9.47 O ATOM 1783 OD2 ASP A 116 1.320 2.302 -17.760 1.00 7.27 O ATOM 1784 HA ASP A 116 -0.626 1.870 -14.399 1.00 0.00 H ATOM 1785 HB2 ASP A 116 1.816 2.017 -15.089 1.00 0.00 H ATOM 1786 HB3 ASP A 116 1.565 0.478 -15.946 1.00 0.00 H ATOM 1787 H ASP A 116 1.687 0.232 -13.391 1.00 0.00 H ATOM 1788 N ILE A 117 -2.107 -0.105 -14.600 1.00 7.29 N ATOM 1789 CA ILE A 117 -3.119 -1.109 -14.976 1.00 6.82 C ATOM 1790 C ILE A 117 -4.448 -0.402 -14.813 1.00 6.44 C ATOM 1791 O ILE A 117 -4.621 0.413 -13.897 1.00 8.15 O ATOM 1792 CB ILE A 117 -2.984 -2.314 -14.072 1.00 8.80 C ATOM 1793 CG1 ILE A 117 -3.884 -3.447 -14.523 1.00 10.99 C ATOM 1794 CG2 ILE A 117 -3.292 -1.982 -12.592 1.00 9.66 C ATOM 1795 CD1 ILE A 117 -3.637 -4.781 -13.736 1.00 14.08 C ATOM 1796 HA ILE A 117 -3.011 -1.482 -15.995 1.00 0.00 H ATOM 1797 HB ILE A 117 -1.942 -2.626 -14.144 1.00 0.00 H ATOM 1798 HG12 ILE A 117 -4.921 -3.145 -14.377 1.00 0.00 H ATOM 1799 HG13 ILE A 117 -3.706 -3.631 -15.582 1.00 0.00 H ATOM 1800 HD11 ILE A 117 -2.605 -5.101 -13.881 1.00 0.00 H ATOM 1801 HD12 ILE A 117 -3.822 -4.615 -12.675 1.00 0.00 H ATOM 1802 HD13 ILE A 117 -4.313 -5.551 -14.108 1.00 0.00 H ATOM 1803 HG21 ILE A 117 -2.598 -1.218 -12.240 1.00 0.00 H ATOM 1804 HG22 ILE A 117 -4.314 -1.612 -12.509 1.00 0.00 H ATOM 1805 HG23 ILE A 117 -3.180 -2.882 -11.988 1.00 0.00 H ATOM 1806 H ILE A 117 -2.352 0.617 -13.892 1.00 0.00 H ATOM 1807 N GLY A 118 -5.309 -0.601 -15.822 1.00 7.18 N ATOM 1808 CA GLY A 118 -6.609 0.081 -15.888 1.00 7.47 C ATOM 1809 C GLY A 118 -7.712 -0.787 -15.253 1.00 6.37 C ATOM 1810 O GLY A 118 -8.244 -1.699 -15.887 1.00 9.06 O ATOM 1811 HA3 GLY A 118 -6.860 0.273 -16.931 1.00 0.00 H ATOM 1812 HA2 GLY A 118 -6.545 1.027 -15.351 1.00 0.00 H ATOM 1813 H GLY A 118 -5.048 -1.260 -16.583 1.00 0.00 H ATOM 1814 N LEU A 119 -8.050 -0.520 -14.000 1.00 5.82 N ATOM 1815 CA LEU A 119 -9.052 -1.252 -13.179 1.00 7.05 C ATOM 1816 C LEU A 119 -10.011 -0.268 -12.592 1.00 7.26 C ATOM 1817 O LEU A 119 -9.908 0.156 -11.441 1.00 8.33 O ATOM 1818 CB LEU A 119 -8.372 -1.941 -11.980 1.00 8.69 C ATOM 1819 CG LEU A 119 -7.425 -3.030 -12.321 1.00 9.33 C ATOM 1820 CD1 LEU A 119 -6.259 -2.314 -12.883 1.00 12.00 C ATOM 1821 CD2 LEU A 119 -6.862 -3.800 -11.115 1.00 10.77 C ATOM 1822 HA LEU A 119 -9.543 -1.982 -13.822 1.00 0.00 H ATOM 1823 HB2 LEU A 119 -7.824 -1.181 -11.423 1.00 0.00 H ATOM 1824 HB3 LEU A 119 -9.153 -2.361 -11.347 1.00 0.00 H ATOM 1825 HG LEU A 119 -7.942 -3.749 -12.957 1.00 0.00 H ATOM 1826 HD21 LEU A 119 -6.325 -3.110 -10.463 1.00 0.00 H ATOM 1827 HD22 LEU A 119 -7.682 -4.259 -10.563 1.00 0.00 H ATOM 1828 HD23 LEU A 119 -6.180 -4.575 -11.466 1.00 0.00 H ATOM 1829 HD11 LEU A 119 -6.571 -1.746 -13.760 1.00 0.00 H ATOM 1830 HD12 LEU A 119 -5.856 -1.634 -12.133 1.00 0.00 H ATOM 1831 HD13 LEU A 119 -5.494 -3.036 -13.169 1.00 0.00 H ATOM 1832 H LEU A 119 -7.567 0.281 -13.545 1.00 0.00 H ATOM 1833 N PRO A 120 -10.996 0.197 -13.377 1.00 7.89 N ATOM 1834 CA PRO A 120 -12.000 1.066 -12.744 1.00 9.06 C ATOM 1835 C PRO A 120 -12.625 0.485 -11.502 1.00 8.14 C ATOM 1836 O PRO A 120 -12.856 -0.728 -11.372 1.00 7.96 O ATOM 1837 CB PRO A 120 -13.023 1.278 -13.858 1.00 11.78 C ATOM 1838 CG PRO A 120 -12.232 1.035 -15.118 1.00 9.60 C ATOM 1839 CD PRO A 120 -11.260 -0.107 -14.788 1.00 9.78 C ATOM 1840 HA PRO A 120 -11.556 1.990 -12.374 1.00 0.00 H ATOM 1841 HD3 PRO A 120 -11.724 -1.085 -14.913 1.00 0.00 H ATOM 1842 HD2 PRO A 120 -10.354 -0.057 -15.391 1.00 0.00 H ATOM 1843 HG3 PRO A 120 -11.682 1.933 -15.400 1.00 0.00 H ATOM 1844 HG2 PRO A 120 -12.895 0.746 -15.933 1.00 0.00 H ATOM 1845 HB2 PRO A 120 -13.845 0.568 -13.772 1.00 0.00 H ATOM 1846 HB3 PRO A 120 -13.418 2.294 -13.836 1.00 0.00 H ATOM 1847 N ARG A 121 -12.817 1.401 -10.522 1.00 8.66 N ATOM 1848 CA ARG A 121 -13.297 0.854 -9.233 1.00 9.41 C ATOM 1849 C ARG A 121 -14.628 0.144 -9.365 1.00 8.02 C ATOM 1850 O ARG A 121 -15.499 0.557 -10.131 1.00 11.28 O ATOM 1851 CB ARG A 121 -13.508 2.022 -8.302 1.00 11.95 C ATOM 1852 CG ARG A 121 -12.240 2.768 -8.036 1.00 14.45 C ATOM 1853 CD ARG A 121 -12.616 3.949 -7.154 1.00 15.92 C ATOM 1854 NE ARG A 121 -11.448 4.767 -7.035 1.00 16.63 N ATOM 1855 CZ ARG A 121 -11.350 5.804 -6.264 1.00 24.55 C ATOM 1856 NH1 ARG A 121 -12.397 6.174 -5.519 1.00 30.21 N ATOM 1857 NH2 ARG A 121 -10.224 6.501 -6.287 1.00 27.00 N ATOM 1858 HA ARG A 121 -12.560 0.137 -8.871 1.00 0.00 H ATOM 1859 HB2 ARG A 121 -14.229 2.704 -8.752 1.00 0.00 H ATOM 1860 HB3 ARG A 121 -13.902 1.651 -7.356 1.00 0.00 H ATOM 1861 HG2 ARG A 121 -11.525 2.126 -7.522 1.00 0.00 H ATOM 1862 HG3 ARG A 121 -11.805 3.119 -8.972 1.00 0.00 H ATOM 1863 HD2 ARG A 121 -12.930 3.598 -6.171 1.00 0.00 H ATOM 1864 HD3 ARG A 121 -13.426 4.516 -7.612 1.00 0.00 H ATOM 1865 HE ARG A 121 -10.619 4.511 -7.608 1.00 0.00 H ATOM 1866 HH12 ARG A 121 -12.326 7.005 -4.898 1.00 0.00 H ATOM 1867 HH11 ARG A 121 -13.283 5.631 -5.561 1.00 0.00 H ATOM 1868 HH22 ARG A 121 -10.118 7.338 -5.679 1.00 0.00 H ATOM 1869 HH21 ARG A 121 -9.446 6.212 -6.913 1.00 0.00 H ATOM 1870 H ARG A 121 -12.640 2.416 -10.665 1.00 0.00 H ATOM 1871 N GLU A 122 -14.784 -0.889 -8.580 1.00 9.19 N ATOM 1872 CA GLU A 122 -16.033 -1.678 -8.497 1.00 9.91 C ATOM 1873 C GLU A 122 -16.505 -1.695 -7.034 1.00 8.72 C ATOM 1874 O GLU A 122 -15.621 -1.660 -6.109 1.00 8.73 O ATOM 1875 CB GLU A 122 -15.754 -3.115 -8.978 1.00 11.69 C ATOM 1876 CG GLU A 122 -15.419 -3.356 -10.475 1.00 12.10 C ATOM 1877 CD GLU A 122 -16.611 -3.097 -11.359 1.00 16.22 C ATOM 1878 OE1 GLU A 122 -17.724 -3.567 -10.989 1.00 18.77 O ATOM 1879 OE2 GLU A 122 -16.467 -2.348 -12.398 1.00 32.13 O ATOM 1880 HA GLU A 122 -16.806 -1.236 -9.125 1.00 0.00 H ATOM 1881 HB2 GLU A 122 -14.910 -3.488 -8.397 1.00 0.00 H ATOM 1882 HB3 GLU A 122 -16.641 -3.706 -8.750 1.00 0.00 H ATOM 1883 HG2 GLU A 122 -14.609 -2.688 -10.768 1.00 0.00 H ATOM 1884 HG3 GLU A 122 -15.100 -4.390 -10.604 1.00 0.00 H ATOM 1885 H GLU A 122 -13.984 -1.173 -7.979 1.00 0.00 H ATOM 1886 N ALA A 123 -17.802 -1.866 -6.844 1.00 8.29 N ATOM 1887 CA ALA A 123 -18.307 -2.069 -5.447 1.00 8.56 C ATOM 1888 C ALA A 123 -17.531 -3.257 -4.850 1.00 8.34 C ATOM 1889 O ALA A 123 -17.338 -4.312 -5.555 1.00 8.20 O ATOM 1890 CB ALA A 123 -19.853 -2.269 -5.472 1.00 13.11 C ATOM 1891 HA ALA A 123 -18.136 -1.201 -4.811 1.00 0.00 H ATOM 1892 HB1 ALA A 123 -20.325 -1.386 -5.903 1.00 0.00 H ATOM 1893 HB2 ALA A 123 -20.095 -3.144 -6.075 1.00 0.00 H ATOM 1894 HB3 ALA A 123 -20.216 -2.416 -4.455 1.00 0.00 H ATOM 1895 H ALA A 123 -18.460 -1.860 -7.649 1.00 0.00 H ATOM 1896 N GLY A 124 -17.097 -3.105 -3.597 1.00 10.37 N ATOM 1897 CA GLY A 124 -16.393 -4.183 -2.935 1.00 10.71 C ATOM 1898 C GLY A 124 -14.873 -4.003 -2.970 1.00 8.85 C ATOM 1899 O GLY A 124 -14.213 -4.682 -2.214 1.00 12.10 O ATOM 1900 HA3 GLY A 124 -16.645 -5.121 -3.430 1.00 0.00 H ATOM 1901 HA2 GLY A 124 -16.716 -4.224 -1.895 1.00 0.00 H ATOM 1902 H GLY A 124 -17.265 -2.210 -3.095 1.00 0.00 H ATOM 1903 N ASP A 125 -14.343 -3.191 -3.878 1.00 7.83 N ATOM 1904 CA ASP A 125 -12.883 -3.045 -3.975 1.00 7.79 C ATOM 1905 C ASP A 125 -12.372 -2.383 -2.721 1.00 8.24 C ATOM 1906 O ASP A 125 -12.996 -1.513 -2.107 1.00 10.09 O ATOM 1907 CB ASP A 125 -12.486 -2.157 -5.110 1.00 9.06 C ATOM 1908 CG ASP A 125 -12.665 -2.822 -6.495 1.00 7.77 C ATOM 1909 OD1 ASP A 125 -12.819 -4.066 -6.556 1.00 9.40 O ATOM 1910 OD2 ASP A 125 -12.552 -2.046 -7.494 1.00 8.92 O ATOM 1911 HA ASP A 125 -12.468 -4.042 -4.123 1.00 0.00 H ATOM 1912 HB2 ASP A 125 -13.099 -1.256 -5.076 1.00 0.00 H ATOM 1913 HB3 ASP A 125 -11.437 -1.886 -4.988 1.00 0.00 H ATOM 1914 H ASP A 125 -14.962 -2.658 -4.521 1.00 0.00 H ATOM 1915 N ALA A 126 -11.139 -2.774 -2.359 1.00 7.80 N ATOM 1916 CA ALA A 126 -10.384 -2.044 -1.372 1.00 8.73 C ATOM 1917 C ALA A 126 -9.688 -0.887 -2.100 1.00 8.25 C ATOM 1918 O ALA A 126 -9.127 -1.106 -3.175 1.00 6.79 O ATOM 1919 CB ALA A 126 -9.374 -2.960 -0.718 1.00 10.02 C ATOM 1920 HA ALA A 126 -11.031 -1.656 -0.585 1.00 0.00 H ATOM 1921 HB1 ALA A 126 -9.895 -3.787 -0.235 1.00 0.00 H ATOM 1922 HB2 ALA A 126 -8.695 -3.350 -1.476 1.00 0.00 H ATOM 1923 HB3 ALA A 126 -8.807 -2.401 0.027 1.00 0.00 H ATOM 1924 H ALA A 126 -10.722 -3.619 -2.799 1.00 0.00 H ATOM 1925 N LEU A 127 -9.740 0.288 -1.483 1.00 8.05 N ATOM 1926 CA LEU A 127 -9.274 1.525 -2.109 1.00 8.04 C ATOM 1927 C LEU A 127 -8.160 2.217 -1.334 1.00 8.28 C ATOM 1928 O LEU A 127 -8.030 2.121 -0.087 1.00 9.78 O ATOM 1929 CB LEU A 127 -10.372 2.566 -2.211 1.00 9.46 C ATOM 1930 CG LEU A 127 -11.595 2.074 -2.981 1.00 10.39 C ATOM 1931 CD1 LEU A 127 -12.699 3.158 -2.972 1.00 12.16 C ATOM 1932 CD2 LEU A 127 -11.254 1.661 -4.437 1.00 13.05 C ATOM 1933 HA LEU A 127 -8.924 1.193 -3.087 1.00 0.00 H ATOM 1934 HB2 LEU A 127 -10.684 2.841 -1.204 1.00 0.00 H ATOM 1935 HB3 LEU A 127 -9.972 3.444 -2.719 1.00 0.00 H ATOM 1936 HG LEU A 127 -11.958 1.180 -2.475 1.00 0.00 H ATOM 1937 HD21 LEU A 127 -10.844 2.519 -4.970 1.00 0.00 H ATOM 1938 HD22 LEU A 127 -10.520 0.856 -4.422 1.00 0.00 H ATOM 1939 HD23 LEU A 127 -12.160 1.319 -4.938 1.00 0.00 H ATOM 1940 HD11 LEU A 127 -12.986 3.374 -1.943 1.00 0.00 H ATOM 1941 HD12 LEU A 127 -12.320 4.065 -3.443 1.00 0.00 H ATOM 1942 HD13 LEU A 127 -13.566 2.796 -3.524 1.00 0.00 H ATOM 1943 H LEU A 127 -10.127 0.330 -0.518 1.00 0.00 H ATOM 1944 N ALA A 128 -7.266 2.905 -2.085 1.00 7.29 N ATOM 1945 CA ALA A 128 -6.183 3.636 -1.479 1.00 6.99 C ATOM 1946 C ALA A 128 -6.694 4.769 -0.590 1.00 8.33 C ATOM 1947 O ALA A 128 -7.683 5.437 -0.954 1.00 8.27 O ATOM 1948 CB ALA A 128 -5.331 4.281 -2.629 1.00 9.80 C ATOM 1949 HA ALA A 128 -5.601 2.946 -0.868 1.00 0.00 H ATOM 1950 HB1 ALA A 128 -4.941 3.495 -3.275 1.00 0.00 H ATOM 1951 HB2 ALA A 128 -5.960 4.953 -3.212 1.00 0.00 H ATOM 1952 HB3 ALA A 128 -4.503 4.841 -2.195 1.00 0.00 H ATOM 1953 H ALA A 128 -7.364 2.905 -3.120 1.00 0.00 H ATOM 1954 N PRO A 129 -5.960 5.133 0.434 1.00 7.33 N ATOM 1955 CA PRO A 129 -6.184 6.415 1.166 1.00 8.48 C ATOM 1956 C PRO A 129 -6.125 7.595 0.230 1.00 7.67 C ATOM 1957 O PRO A 129 -5.332 7.570 -0.738 1.00 9.02 O ATOM 1958 CB PRO A 129 -4.970 6.454 2.100 1.00 10.69 C ATOM 1959 CG PRO A 129 -4.626 5.016 2.368 1.00 11.16 C ATOM 1960 CD PRO A 129 -4.849 4.338 1.017 1.00 10.12 C ATOM 1961 HA PRO A 129 -7.154 6.465 1.662 1.00 0.00 H ATOM 1962 HD3 PRO A 129 -3.955 4.395 0.395 1.00 0.00 H ATOM 1963 HD2 PRO A 129 -5.136 3.294 1.143 1.00 0.00 H ATOM 1964 HG3 PRO A 129 -5.282 4.594 3.129 1.00 0.00 H ATOM 1965 HG2 PRO A 129 -3.589 4.916 2.688 1.00 0.00 H ATOM 1966 HB2 PRO A 129 -4.135 6.963 1.619 1.00 0.00 H ATOM 1967 HB3 PRO A 129 -5.220 6.966 3.029 1.00 0.00 H ATOM 1968 N VAL A 130 -6.940 8.633 0.483 1.00 11.04 N ATOM 1969 CA VAL A 130 -7.021 9.810 -0.384 1.00 10.59 C ATOM 1970 C VAL A 130 -6.257 10.936 0.271 1.00 12.79 C ATOM 1971 O VAL A 130 -6.552 11.240 1.450 1.00 10.48 O ATOM 1972 CB VAL A 130 -8.494 10.231 -0.605 1.00 12.53 C ATOM 1973 CG1 VAL A 130 -8.575 11.535 -1.396 1.00 14.78 C ATOM 1974 CG2 VAL A 130 -9.198 9.162 -1.403 1.00 16.95 C ATOM 1975 HA VAL A 130 -6.591 9.574 -1.357 1.00 0.00 H ATOM 1976 HB VAL A 130 -8.960 10.368 0.371 1.00 0.00 H ATOM 1977 HG11 VAL A 130 -8.063 12.325 -0.846 1.00 0.00 H ATOM 1978 HG12 VAL A 130 -8.099 11.400 -2.367 1.00 0.00 H ATOM 1979 HG13 VAL A 130 -9.621 11.808 -1.537 1.00 0.00 H ATOM 1980 HG21 VAL A 130 -8.701 9.043 -2.366 1.00 0.00 H ATOM 1981 HG22 VAL A 130 -9.163 8.220 -0.856 1.00 0.00 H ATOM 1982 HG23 VAL A 130 -10.236 9.453 -1.562 1.00 0.00 H ATOM 1983 H VAL A 130 -7.540 8.599 1.332 1.00 0.00 H ATOM 1984 N LEU A 131 -5.242 11.495 -0.435 1.00 10.82 N ATOM 1985 CA LEU A 131 -4.431 12.649 0.103 1.00 11.76 C ATOM 1986 C LEU A 131 -5.086 13.962 -0.319 1.00 13.08 C ATOM 1987 O LEU A 131 -6.238 14.029 -0.759 1.00 14.47 O ATOM 1988 CB LEU A 131 -3.002 12.521 -0.347 1.00 11.30 C ATOM 1989 CG LEU A 131 -2.406 11.143 0.009 1.00 10.69 C ATOM 1990 CD1 LEU A 131 -0.949 11.138 -0.379 1.00 11.74 C ATOM 1991 CD2 LEU A 131 -2.515 10.785 1.499 1.00 11.65 C ATOM 1992 HA LEU A 131 -4.412 12.637 1.193 1.00 0.00 H ATOM 1993 HB2 LEU A 131 -2.960 12.655 -1.428 1.00 0.00 H ATOM 1994 HB3 LEU A 131 -2.409 13.297 0.137 1.00 0.00 H ATOM 1995 HG LEU A 131 -2.984 10.398 -0.538 1.00 0.00 H ATOM 1996 HD21 LEU A 131 -1.983 11.530 2.090 1.00 0.00 H ATOM 1997 HD22 LEU A 131 -3.565 10.769 1.792 1.00 0.00 H ATOM 1998 HD23 LEU A 131 -2.074 9.803 1.669 1.00 0.00 H ATOM 1999 HD11 LEU A 131 -0.859 11.318 -1.450 1.00 0.00 H ATOM 2000 HD12 LEU A 131 -0.426 11.923 0.168 1.00 0.00 H ATOM 2001 HD13 LEU A 131 -0.512 10.170 -0.134 1.00 0.00 H ATOM 2002 H LEU A 131 -5.016 11.116 -1.377 1.00 0.00 H ATOM 2003 N ASP A 132 -4.330 15.051 -0.211 1.00 10.80 N ATOM 2004 CA ASP A 132 -4.826 16.380 -0.581 1.00 9.72 C ATOM 2005 C ASP A 132 -3.586 17.243 -0.869 1.00 10.41 C ATOM 2006 O ASP A 132 -2.390 16.797 -0.837 1.00 9.93 O ATOM 2007 CB ASP A 132 -5.812 16.987 0.471 1.00 10.38 C ATOM 2008 CG ASP A 132 -5.130 17.397 1.772 1.00 11.33 C ATOM 2009 OD1 ASP A 132 -3.872 17.520 1.890 1.00 12.83 O ATOM 2010 OD2 ASP A 132 -5.906 17.568 2.734 1.00 13.29 O ATOM 2011 HA ASP A 132 -5.449 16.328 -1.474 1.00 0.00 H ATOM 2012 HB2 ASP A 132 -6.284 17.868 0.035 1.00 0.00 H ATOM 2013 HB3 ASP A 132 -6.575 16.243 0.700 1.00 0.00 H ATOM 2014 H ASP A 132 -3.358 14.957 0.147 1.00 0.00 H ATOM 2015 N GLU A 133 -3.851 18.541 -1.102 1.00 9.60 N ATOM 2016 CA GLU A 133 -2.765 19.467 -1.584 1.00 10.17 C ATOM 2017 C GLU A 133 -1.823 19.898 -0.479 1.00 9.30 C ATOM 2018 O GLU A 133 -0.871 20.589 -0.786 1.00 11.51 O ATOM 2019 CB GLU A 133 -3.347 20.704 -2.259 1.00 9.27 C ATOM 2020 CG GLU A 133 -4.091 21.734 -1.294 1.00 10.14 C ATOM 2021 CD GLU A 133 -5.411 21.298 -0.658 1.00 11.96 C ATOM 2022 OE1 GLU A 133 -5.964 20.253 -1.095 1.00 12.52 O ATOM 2023 OE2 GLU A 133 -5.918 22.003 0.272 1.00 11.79 O ATOM 2024 HA GLU A 133 -2.190 18.892 -2.310 1.00 0.00 H ATOM 2025 HB2 GLU A 133 -2.530 21.234 -2.749 1.00 0.00 H ATOM 2026 HB3 GLU A 133 -4.064 20.370 -3.009 1.00 0.00 H ATOM 2027 HG2 GLU A 133 -3.403 21.973 -0.483 1.00 0.00 H ATOM 2028 HG3 GLU A 133 -4.293 22.634 -1.874 1.00 0.00 H ATOM 2029 H GLU A 133 -4.812 18.908 -0.948 1.00 0.00 H ATOM 2030 N THR A 134 -2.056 19.489 0.752 1.00 10.06 N ATOM 2031 CA THR A 134 -1.097 19.749 1.883 1.00 9.62 C ATOM 2032 C THR A 134 -0.009 18.654 1.924 1.00 9.70 C ATOM 2033 O THR A 134 0.968 18.888 2.622 1.00 11.19 O ATOM 2034 CB THR A 134 -1.810 19.855 3.247 1.00 10.45 C ATOM 2035 OG1 THR A 134 -2.186 18.546 3.688 1.00 12.15 O ATOM 2036 CG2 THR A 134 -2.987 20.864 3.251 1.00 13.11 C ATOM 2037 HA THR A 134 -0.628 20.715 1.694 1.00 0.00 H ATOM 2038 HB THR A 134 -1.107 20.272 3.968 1.00 0.00 H ATOM 2039 HG1 THR A 134 -2.798 18.139 3.025 1.00 0.00 H ATOM 2040 HG23 THR A 134 -2.632 21.835 2.906 1.00 0.00 H ATOM 2041 HG21 THR A 134 -3.773 20.506 2.586 1.00 0.00 H ATOM 2042 HG22 THR A 134 -3.380 20.958 4.263 1.00 0.00 H ATOM 2043 H THR A 134 -2.934 18.968 0.949 1.00 0.00 H ATOM 2044 N TRP A 135 -0.212 17.491 1.254 1.00 9.00 N ATOM 2045 CA TRP A 135 0.880 16.513 1.059 1.00 8.13 C ATOM 2046 C TRP A 135 1.756 16.966 -0.110 1.00 7.16 C ATOM 2047 O TRP A 135 1.212 17.525 -1.064 1.00 8.28 O ATOM 2048 CB TRP A 135 0.305 15.150 0.732 1.00 7.95 C ATOM 2049 CG TRP A 135 -0.338 14.514 1.951 1.00 8.71 C ATOM 2050 CD1 TRP A 135 -1.615 14.805 2.499 1.00 9.27 C ATOM 2051 CD2 TRP A 135 0.343 13.589 2.866 1.00 8.04 C ATOM 2052 NE1 TRP A 135 -1.797 13.994 3.605 1.00 10.39 N ATOM 2053 CE2 TRP A 135 -0.616 13.305 3.920 1.00 8.98 C ATOM 2054 CE3 TRP A 135 1.619 13.038 2.921 1.00 7.51 C ATOM 2055 CZ2 TRP A 135 -0.315 12.346 4.915 1.00 10.60 C ATOM 2056 CZ3 TRP A 135 1.912 12.191 3.961 1.00 7.87 C ATOM 2057 CH2 TRP A 135 0.965 11.819 4.920 1.00 8.32 C ATOM 2058 HA TRP A 135 1.468 16.451 1.974 1.00 0.00 H ATOM 2059 HB2 TRP A 135 -0.447 15.260 -0.049 1.00 0.00 H ATOM 2060 HB3 TRP A 135 1.106 14.503 0.375 1.00 0.00 H ATOM 2061 HE1 TRP A 135 -2.689 13.907 4.132 1.00 0.00 H ATOM 2062 HD1 TRP A 135 -2.326 15.537 2.116 1.00 0.00 H ATOM 2063 HZ2 TRP A 135 -1.060 12.035 5.647 1.00 0.00 H ATOM 2064 HH2 TRP A 135 1.241 11.098 5.689 1.00 0.00 H ATOM 2065 HZ3 TRP A 135 2.923 11.793 4.042 1.00 0.00 H ATOM 2066 HE3 TRP A 135 2.364 13.272 2.161 1.00 0.00 H ATOM 2067 H TRP A 135 -1.156 17.283 0.870 1.00 0.00 H ATOM 2068 N ARG A 136 3.080 16.752 -0.021 1.00 6.71 N ATOM 2069 CA ARG A 136 3.991 17.145 -1.110 1.00 7.48 C ATOM 2070 C ARG A 136 5.053 16.111 -1.255 1.00 8.01 C ATOM 2071 O ARG A 136 5.343 15.323 -0.365 1.00 9.21 O ATOM 2072 CB ARG A 136 4.729 18.459 -0.699 1.00 7.10 C ATOM 2073 CG ARG A 136 3.781 19.648 -0.465 1.00 11.31 C ATOM 2074 CD ARG A 136 3.132 20.148 -1.788 1.00 10.97 C ATOM 2075 NE ARG A 136 1.919 21.007 -1.454 1.00 11.44 N ATOM 2076 CZ ARG A 136 1.927 22.284 -1.081 1.00 12.50 C ATOM 2077 NH1 ARG A 136 3.073 23.006 -1.156 1.00 15.84 N ATOM 2078 NH2 ARG A 136 0.790 22.875 -0.693 1.00 12.22 N ATOM 2079 HA ARG A 136 3.416 17.267 -2.028 1.00 0.00 H ATOM 2080 HB2 ARG A 136 5.281 18.271 0.222 1.00 0.00 H ATOM 2081 HB3 ARG A 136 5.428 18.725 -1.492 1.00 0.00 H ATOM 2082 HG2 ARG A 136 2.991 19.339 0.219 1.00 0.00 H ATOM 2083 HG3 ARG A 136 4.346 20.466 -0.019 1.00 0.00 H ATOM 2084 HD2 ARG A 136 2.820 19.293 -2.388 1.00 0.00 H ATOM 2085 HD3 ARG A 136 3.855 20.740 -2.349 1.00 0.00 H ATOM 2086 HE ARG A 136 0.989 20.548 -1.525 1.00 0.00 H ATOM 2087 HH12 ARG A 136 3.079 24.004 -0.864 1.00 0.00 H ATOM 2088 HH11 ARG A 136 3.946 22.561 -1.505 1.00 0.00 H ATOM 2089 HH22 ARG A 136 0.796 23.873 -0.401 1.00 0.00 H ATOM 2090 HH21 ARG A 136 -0.099 22.336 -0.683 1.00 0.00 H ATOM 2091 H ARG A 136 3.468 16.301 0.832 1.00 0.00 H ATOM 2092 N GLY A 137 5.638 16.033 -2.475 1.00 8.18 N ATOM 2093 CA GLY A 137 6.840 15.169 -2.601 1.00 7.24 C ATOM 2094 C GLY A 137 7.005 14.752 -4.033 1.00 10.11 C ATOM 2095 O GLY A 137 6.649 15.522 -4.957 1.00 13.70 O ATOM 2096 HA3 GLY A 137 6.720 14.284 -1.976 1.00 0.00 H ATOM 2097 HA2 GLY A 137 7.722 15.723 -2.279 1.00 0.00 H ATOM 2098 H GLY A 137 5.261 16.557 -3.290 1.00 0.00 H ATOM 2099 N GLU A 138 7.619 13.596 -4.258 1.00 7.73 N ATOM 2100 CA GLU A 138 8.142 13.166 -5.555 1.00 9.71 C ATOM 2101 C GLU A 138 7.301 12.028 -6.136 1.00 8.69 C ATOM 2102 O GLU A 138 6.990 11.042 -5.443 1.00 9.32 O ATOM 2103 CB GLU A 138 9.578 12.669 -5.351 1.00 13.17 C ATOM 2104 CG GLU A 138 10.554 13.811 -4.972 1.00 19.81 C ATOM 2105 CD GLU A 138 10.587 13.973 -3.469 1.00 22.09 C ATOM 2106 OE1 GLU A 138 10.404 12.945 -2.714 1.00 40.54 O ATOM 2107 OE2 GLU A 138 10.765 15.145 -3.050 1.00 48.75 O ATOM 2108 HA GLU A 138 8.110 14.006 -6.249 1.00 0.00 H ATOM 2109 HB2 GLU A 138 9.581 11.927 -4.553 1.00 0.00 H ATOM 2110 HB3 GLU A 138 9.923 12.207 -6.276 1.00 0.00 H ATOM 2111 HG2 GLU A 138 11.554 13.569 -5.333 1.00 0.00 H ATOM 2112 HG3 GLU A 138 10.219 14.742 -5.430 1.00 0.00 H ATOM 2113 H GLU A 138 7.737 12.949 -3.453 1.00 0.00 H ATOM 2114 N THR A 139 6.884 12.201 -7.385 1.00 7.92 N ATOM 2115 CA THR A 139 6.283 11.148 -8.178 1.00 7.69 C ATOM 2116 C THR A 139 7.346 10.689 -9.158 1.00 8.22 C ATOM 2117 O THR A 139 7.778 11.434 -10.014 1.00 10.63 O ATOM 2118 CB THR A 139 5.098 11.681 -8.922 1.00 8.76 C ATOM 2119 OG1 THR A 139 4.104 12.130 -7.962 1.00 9.38 O ATOM 2120 CG2 THR A 139 4.399 10.589 -9.795 1.00 10.10 C ATOM 2121 HA THR A 139 5.941 10.325 -7.550 1.00 0.00 H ATOM 2122 HB THR A 139 5.463 12.482 -9.565 1.00 0.00 H ATOM 2123 HG1 THR A 139 3.828 11.368 -7.393 1.00 0.00 H ATOM 2124 HG23 THR A 139 5.103 10.214 -10.538 1.00 0.00 H ATOM 2125 HG21 THR A 139 4.072 9.769 -9.156 1.00 0.00 H ATOM 2126 HG22 THR A 139 3.536 11.025 -10.298 1.00 0.00 H ATOM 2127 H THR A 139 6.995 13.141 -7.816 1.00 0.00 H ATOM 2128 N GLY A 140 7.802 9.441 -9.008 1.00 9.28 N ATOM 2129 CA GLY A 140 9.008 8.971 -9.742 1.00 9.19 C ATOM 2130 C GLY A 140 8.618 8.538 -11.186 1.00 8.18 C ATOM 2131 O GLY A 140 7.425 8.585 -11.620 1.00 10.38 O ATOM 2132 HA3 GLY A 140 9.443 8.122 -9.215 1.00 0.00 H ATOM 2133 HA2 GLY A 140 9.738 9.779 -9.792 1.00 0.00 H ATOM 2134 H GLY A 140 7.306 8.788 -8.368 1.00 0.00 H ATOM 2135 N GLU A 141 9.651 8.249 -11.943 1.00 9.69 N ATOM 2136 CA GLU A 141 9.451 7.855 -13.319 1.00 9.43 C ATOM 2137 C GLU A 141 8.922 6.426 -13.456 1.00 9.61 C ATOM 2138 O GLU A 141 9.210 5.555 -12.586 1.00 8.85 O ATOM 2139 CB GLU A 141 10.825 7.910 -14.038 1.00 12.72 C ATOM 2140 CG GLU A 141 11.390 9.317 -14.296 1.00 18.34 C ATOM 2141 CD GLU A 141 10.404 10.263 -15.034 1.00 26.50 C ATOM 2142 OE1 GLU A 141 9.964 9.975 -16.171 1.00 32.05 O ATOM 2143 OE2 GLU A 141 10.054 11.298 -14.460 1.00 41.07 O ATOM 2144 HA GLU A 141 8.716 8.534 -13.752 1.00 0.00 H ATOM 2145 HB2 GLU A 141 11.545 7.367 -13.426 1.00 0.00 H ATOM 2146 HB3 GLU A 141 10.719 7.410 -15.001 1.00 0.00 H ATOM 2147 HG2 GLU A 141 11.645 9.767 -13.336 1.00 0.00 H ATOM 2148 HG3 GLU A 141 12.291 9.220 -14.901 1.00 0.00 H ATOM 2149 H GLU A 141 10.613 8.304 -11.552 1.00 0.00 H ATOM 2150 N TRP A 142 8.153 6.155 -14.513 1.00 8.48 N ATOM 2151 CA TRP A 142 7.697 4.787 -14.863 1.00 9.22 C ATOM 2152 C TRP A 142 8.840 3.872 -15.155 1.00 8.97 C ATOM 2153 O TRP A 142 9.790 4.334 -15.802 1.00 10.79 O ATOM 2154 CB TRP A 142 6.718 4.793 -16.040 1.00 11.06 C ATOM 2155 CG TRP A 142 5.429 5.428 -15.844 1.00 12.36 C ATOM 2156 CD1 TRP A 142 4.981 6.602 -16.455 1.00 16.48 C ATOM 2157 CD2 TRP A 142 4.326 4.958 -15.017 1.00 10.58 C ATOM 2158 NE1 TRP A 142 3.711 6.908 -16.002 1.00 22.22 N ATOM 2159 CE2 TRP A 142 3.214 5.905 -15.220 1.00 12.21 C ATOM 2160 CE3 TRP A 142 4.118 3.873 -14.180 1.00 7.94 C ATOM 2161 CZ2 TRP A 142 2.064 5.805 -14.521 1.00 12.33 C ATOM 2162 CZ3 TRP A 142 2.878 3.783 -13.560 1.00 10.16 C ATOM 2163 CH2 TRP A 142 1.851 4.706 -13.784 1.00 10.50 C ATOM 2164 HA TRP A 142 7.174 4.409 -13.984 1.00 0.00 H ATOM 2165 HB2 TRP A 142 7.209 5.303 -16.869 1.00 0.00 H ATOM 2166 HB3 TRP A 142 6.531 3.754 -16.313 1.00 0.00 H ATOM 2167 HE1 TRP A 142 3.201 7.786 -16.227 1.00 0.00 H ATOM 2168 HD1 TRP A 142 5.547 7.188 -17.179 1.00 0.00 H ATOM 2169 HZ2 TRP A 142 1.322 6.603 -14.555 1.00 0.00 H ATOM 2170 HH2 TRP A 142 0.865 4.529 -13.354 1.00 0.00 H ATOM 2171 HZ3 TRP A 142 2.698 2.959 -12.870 1.00 0.00 H ATOM 2172 HE3 TRP A 142 4.893 3.124 -14.016 1.00 0.00 H ATOM 2173 H TRP A 142 7.858 6.944 -15.123 1.00 0.00 H ATOM 2174 N ARG A 143 8.780 2.617 -14.700 1.00 8.89 N ATOM 2175 CA ARG A 143 9.741 1.656 -15.137 1.00 10.78 C ATOM 2176 C ARG A 143 9.051 0.310 -15.390 1.00 8.12 C ATOM 2177 O ARG A 143 7.994 0.072 -14.820 1.00 6.60 O ATOM 2178 CB ARG A 143 10.776 1.532 -14.115 1.00 13.02 C ATOM 2179 CG ARG A 143 10.301 1.064 -12.755 1.00 12.52 C ATOM 2180 CD ARG A 143 11.450 1.072 -11.714 1.00 14.82 C ATOM 2181 NE ARG A 143 12.653 0.390 -12.224 1.00 14.60 N ATOM 2182 CZ ARG A 143 13.813 0.406 -11.597 1.00 14.17 C ATOM 2183 NH1 ARG A 143 13.901 1.028 -10.470 1.00 12.22 N ATOM 2184 NH2 ARG A 143 14.885 -0.146 -12.087 1.00 15.65 N ATOM 2185 HA ARG A 143 10.201 1.978 -16.071 1.00 0.00 H ATOM 2186 HB2 ARG A 143 11.519 0.820 -14.474 1.00 0.00 H ATOM 2187 HB3 ARG A 143 11.242 2.509 -13.990 1.00 0.00 H ATOM 2188 HG2 ARG A 143 9.507 1.726 -12.410 1.00 0.00 H ATOM 2189 HG3 ARG A 143 9.913 0.050 -12.846 1.00 0.00 H ATOM 2190 HD2 ARG A 143 11.112 0.564 -10.811 1.00 0.00 H ATOM 2191 HD3 ARG A 143 11.704 2.105 -11.475 1.00 0.00 H ATOM 2192 HE ARG A 143 12.584 -0.129 -13.122 1.00 0.00 H ATOM 2193 HH12 ARG A 143 14.807 1.053 -9.959 1.00 0.00 H ATOM 2194 HH11 ARG A 143 13.066 1.505 -10.072 1.00 0.00 H ATOM 2195 HH22 ARG A 143 15.778 -0.108 -11.556 1.00 0.00 H ATOM 2196 HH21 ARG A 143 14.848 -0.625 -13.009 1.00 0.00 H ATOM 2197 H ARG A 143 8.035 2.341 -14.029 1.00 0.00 H ATOM 2198 N PHE A 144 9.666 -0.530 -16.174 1.00 8.58 N ATOM 2199 CA PHE A 144 9.146 -1.863 -16.404 1.00 7.98 C ATOM 2200 C PHE A 144 9.643 -2.825 -15.378 1.00 9.86 C ATOM 2201 O PHE A 144 10.859 -2.848 -15.120 1.00 11.91 O ATOM 2202 CB PHE A 144 9.562 -2.383 -17.828 1.00 10.66 C ATOM 2203 CG PHE A 144 8.861 -1.644 -18.988 1.00 9.52 C ATOM 2204 CD1 PHE A 144 7.471 -1.602 -18.987 1.00 10.05 C ATOM 2205 CD2 PHE A 144 9.550 -1.149 -20.086 1.00 14.42 C ATOM 2206 CE1 PHE A 144 6.785 -0.950 -19.988 1.00 16.22 C ATOM 2207 CE2 PHE A 144 8.804 -0.579 -21.137 1.00 13.89 C ATOM 2208 CZ PHE A 144 7.473 -0.426 -21.045 1.00 15.21 C ATOM 2209 HA PHE A 144 8.060 -1.800 -16.337 1.00 0.00 H ATOM 2210 HB2 PHE A 144 10.639 -2.256 -17.940 1.00 0.00 H ATOM 2211 HB3 PHE A 144 9.313 -3.442 -17.894 1.00 0.00 H ATOM 2212 HD2 PHE A 144 10.638 -1.200 -20.134 1.00 0.00 H ATOM 2213 HE2 PHE A 144 9.318 -0.256 -22.043 1.00 0.00 H ATOM 2214 HZ PHE A 144 6.937 0.121 -21.821 1.00 0.00 H ATOM 2215 HE1 PHE A 144 5.701 -0.853 -19.937 1.00 0.00 H ATOM 2216 HD1 PHE A 144 6.918 -2.091 -18.185 1.00 0.00 H ATOM 2217 H PHE A 144 10.547 -0.238 -16.644 1.00 0.00 H ATOM 2218 N SER A 145 8.756 -3.632 -14.835 1.00 7.78 N ATOM 2219 CA SER A 145 9.128 -4.784 -14.072 1.00 8.25 C ATOM 2220 C SER A 145 9.684 -5.843 -15.000 1.00 8.13 C ATOM 2221 O SER A 145 9.543 -5.687 -16.206 1.00 8.83 O ATOM 2222 CB SER A 145 7.973 -5.296 -13.254 1.00 8.16 C ATOM 2223 OG SER A 145 7.037 -5.812 -14.117 1.00 11.05 O ATOM 2224 HA SER A 145 9.907 -4.507 -13.361 1.00 0.00 H ATOM 2225 HB2 SER A 145 7.536 -4.480 -12.679 1.00 0.00 H ATOM 2226 HB3 SER A 145 8.318 -6.074 -12.573 1.00 0.00 H ATOM 2227 HG SER A 145 6.731 -5.101 -14.734 1.00 0.00 H ATOM 2228 H SER A 145 7.745 -3.424 -14.966 1.00 0.00 H ATOM 2229 N ARG A 146 10.219 -6.930 -14.445 1.00 8.11 N ATOM 2230 CA ARG A 146 10.722 -7.967 -15.313 1.00 10.45 C ATOM 2231 C ARG A 146 9.611 -8.528 -16.165 1.00 9.45 C ATOM 2232 O ARG A 146 9.910 -9.015 -17.226 1.00 11.79 O ATOM 2233 CB ARG A 146 11.288 -9.050 -14.390 1.00 11.71 C ATOM 2234 CG ARG A 146 11.973 -10.185 -15.118 1.00 18.95 C ATOM 2235 CD ARG A 146 12.799 -10.960 -14.057 1.00 29.31 C ATOM 2236 NE ARG A 146 11.910 -11.561 -13.058 1.00 45.24 N ATOM 2237 CZ ARG A 146 11.562 -11.040 -11.873 1.00 40.60 C ATOM 2238 NH1 ARG A 146 12.056 -9.864 -11.421 1.00 41.05 N ATOM 2239 NH2 ARG A 146 10.707 -11.728 -11.133 1.00 25.68 N ATOM 2240 HA ARG A 146 11.483 -7.584 -15.993 1.00 0.00 H ATOM 2241 HB2 ARG A 146 12.012 -8.586 -13.721 1.00 0.00 H ATOM 2242 HB3 ARG A 146 10.467 -9.464 -13.804 1.00 0.00 H ATOM 2243 HG2 ARG A 146 11.232 -10.843 -15.571 1.00 0.00 H ATOM 2244 HG3 ARG A 146 12.631 -9.792 -15.893 1.00 0.00 H ATOM 2245 HD2 ARG A 146 13.484 -10.272 -13.561 1.00 0.00 H ATOM 2246 HD3 ARG A 146 13.370 -11.747 -14.550 1.00 0.00 H ATOM 2247 HE ARG A 146 11.507 -12.490 -13.294 1.00 0.00 H ATOM 2248 HH12 ARG A 146 11.758 -9.497 -10.495 1.00 0.00 H ATOM 2249 HH11 ARG A 146 12.733 -9.328 -12.000 1.00 0.00 H ATOM 2250 HH22 ARG A 146 10.409 -11.362 -10.206 1.00 0.00 H ATOM 2251 HH21 ARG A 146 10.333 -12.635 -11.478 1.00 0.00 H ATOM 2252 H ARG A 146 10.273 -7.028 -13.411 1.00 0.00 H ATOM 2253 N SER A 147 8.371 -8.584 -15.692 1.00 8.68 N ATOM 2254 CA SER A 147 7.276 -9.146 -16.494 1.00 9.33 C ATOM 2255 C SER A 147 6.785 -8.186 -17.579 1.00 9.63 C ATOM 2256 O SER A 147 5.988 -8.621 -18.413 1.00 11.11 O ATOM 2257 CB SER A 147 6.082 -9.466 -15.600 1.00 10.67 C ATOM 2258 OG SER A 147 5.467 -8.212 -15.200 1.00 12.89 O ATOM 2259 HA SER A 147 7.677 -10.042 -16.967 1.00 0.00 H ATOM 2260 HB2 SER A 147 6.417 -10.011 -14.718 1.00 0.00 H ATOM 2261 HB3 SER A 147 5.361 -10.072 -16.149 1.00 0.00 H ATOM 2262 HG SER A 147 6.127 -7.665 -14.705 1.00 0.00 H ATOM 2263 H SER A 147 8.172 -8.224 -14.737 1.00 0.00 H ATOM 2264 N GLY A 148 7.178 -6.885 -17.572 1.00 7.76 N ATOM 2265 CA GLY A 148 6.652 -5.914 -18.461 1.00 7.80 C ATOM 2266 C GLY A 148 5.535 -5.016 -17.853 1.00 6.58 C ATOM 2267 O GLY A 148 5.121 -4.088 -18.498 1.00 7.03 O ATOM 2268 HA3 GLY A 148 6.238 -6.433 -19.326 1.00 0.00 H ATOM 2269 HA2 GLY A 148 7.470 -5.269 -18.783 1.00 0.00 H ATOM 2270 H GLY A 148 7.898 -6.588 -16.883 1.00 0.00 H ATOM 2271 N LEU A 149 5.015 -5.369 -16.686 1.00 6.97 N ATOM 2272 CA LEU A 149 4.064 -4.514 -15.970 1.00 6.65 C ATOM 2273 C LEU A 149 4.787 -3.222 -15.548 1.00 5.50 C ATOM 2274 O LEU A 149 5.905 -3.286 -14.941 1.00 7.07 O ATOM 2275 CB LEU A 149 3.604 -5.323 -14.736 1.00 7.02 C ATOM 2276 CG LEU A 149 2.595 -4.593 -13.874 1.00 6.14 C ATOM 2277 CD1 LEU A 149 1.313 -4.263 -14.679 1.00 7.01 C ATOM 2278 CD2 LEU A 149 2.191 -5.494 -12.742 1.00 7.33 C ATOM 2279 HA LEU A 149 3.206 -4.234 -16.581 1.00 0.00 H ATOM 2280 HB2 LEU A 149 3.153 -6.253 -15.082 1.00 0.00 H ATOM 2281 HB3 LEU A 149 4.479 -5.549 -14.126 1.00 0.00 H ATOM 2282 HG LEU A 149 3.052 -3.670 -13.518 1.00 0.00 H ATOM 2283 HD21 LEU A 149 1.747 -6.404 -13.145 1.00 0.00 H ATOM 2284 HD22 LEU A 149 3.070 -5.749 -12.150 1.00 0.00 H ATOM 2285 HD23 LEU A 149 1.464 -4.981 -12.113 1.00 0.00 H ATOM 2286 HD11 LEU A 149 1.571 -3.630 -15.528 1.00 0.00 H ATOM 2287 HD12 LEU A 149 0.863 -5.188 -15.038 1.00 0.00 H ATOM 2288 HD13 LEU A 149 0.606 -3.739 -14.035 1.00 0.00 H ATOM 2289 H LEU A 149 5.290 -6.280 -16.266 1.00 0.00 H ATOM 2290 N ARG A 150 4.206 -2.066 -15.803 1.00 6.40 N ATOM 2291 CA ARG A 150 4.935 -0.834 -15.464 1.00 6.85 C ATOM 2292 C ARG A 150 4.488 -0.322 -14.122 1.00 5.52 C ATOM 2293 O ARG A 150 3.316 -0.496 -13.722 1.00 6.97 O ATOM 2294 CB ARG A 150 4.589 0.174 -16.547 1.00 8.78 C ATOM 2295 CG ARG A 150 5.597 1.241 -16.790 1.00 11.10 C ATOM 2296 CD ARG A 150 5.346 1.926 -18.151 1.00 8.07 C ATOM 2297 NE ARG A 150 4.142 2.781 -18.108 1.00 8.70 N ATOM 2298 CZ ARG A 150 4.011 3.927 -18.760 1.00 7.95 C ATOM 2299 NH1 ARG A 150 2.805 4.475 -18.827 1.00 9.98 N ATOM 2300 NH2 ARG A 150 5.048 4.408 -19.452 1.00 10.66 N ATOM 2301 HA ARG A 150 6.009 -1.009 -15.410 1.00 0.00 H ATOM 2302 HB2 ARG A 150 4.450 -0.373 -17.480 1.00 0.00 H ATOM 2303 HB3 ARG A 150 3.653 0.657 -16.267 1.00 0.00 H ATOM 2304 HG2 ARG A 150 5.530 1.985 -15.996 1.00 0.00 H ATOM 2305 HG3 ARG A 150 6.594 0.800 -16.789 1.00 0.00 H ATOM 2306 HD2 ARG A 150 5.211 1.160 -18.915 1.00 0.00 H ATOM 2307 HD3 ARG A 150 6.210 2.541 -18.404 1.00 0.00 H ATOM 2308 HE ARG A 150 3.342 2.461 -17.526 1.00 0.00 H ATOM 2309 HH12 ARG A 150 2.670 5.374 -19.332 1.00 0.00 H ATOM 2310 HH11 ARG A 150 1.995 4.005 -18.375 1.00 0.00 H ATOM 2311 HH22 ARG A 150 4.957 5.307 -19.968 1.00 0.00 H ATOM 2312 HH21 ARG A 150 5.946 3.884 -19.475 1.00 0.00 H ATOM 2313 H ARG A 150 3.259 -2.026 -16.232 1.00 0.00 H ATOM 2314 N TYR A 151 5.382 0.319 -13.366 1.00 5.69 N ATOM 2315 CA TYR A 151 5.033 0.850 -12.062 1.00 6.10 C ATOM 2316 C TYR A 151 5.883 2.095 -11.796 1.00 5.91 C ATOM 2317 O TYR A 151 6.955 2.298 -12.458 1.00 6.57 O ATOM 2318 CB TYR A 151 5.257 -0.227 -10.986 1.00 6.86 C ATOM 2319 CG TYR A 151 6.711 -0.597 -10.770 1.00 7.32 C ATOM 2320 CD1 TYR A 151 7.435 -0.055 -9.727 1.00 9.00 C ATOM 2321 CD2 TYR A 151 7.378 -1.483 -11.658 1.00 8.04 C ATOM 2322 CE1 TYR A 151 8.786 -0.470 -9.575 1.00 11.69 C ATOM 2323 CE2 TYR A 151 8.714 -1.799 -11.558 1.00 12.63 C ATOM 2324 CZ TYR A 151 9.379 -1.325 -10.480 1.00 11.36 C ATOM 2325 OH TYR A 151 10.702 -1.580 -10.378 1.00 14.54 O ATOM 2326 HA TYR A 151 3.981 1.132 -12.033 1.00 0.00 H ATOM 2327 HB3 TYR A 151 4.716 -1.125 -11.283 1.00 0.00 H ATOM 2328 HB2 TYR A 151 4.854 0.143 -10.043 1.00 0.00 H ATOM 2329 HD2 TYR A 151 6.800 -1.937 -12.463 1.00 0.00 H ATOM 2330 HE2 TYR A 151 9.214 -2.404 -12.314 1.00 0.00 H ATOM 2331 HE1 TYR A 151 9.365 -0.105 -8.726 1.00 0.00 H ATOM 2332 HD1 TYR A 151 6.986 0.666 -9.044 1.00 0.00 H ATOM 2333 HH TYR A 151 11.173 -1.192 -11.158 1.00 0.00 H ATOM 2334 H TYR A 151 6.352 0.441 -13.720 1.00 0.00 H ATOM 2335 N ARG A 152 5.469 2.951 -10.843 1.00 5.64 N ATOM 2336 CA ARG A 152 6.276 4.090 -10.428 1.00 5.53 C ATOM 2337 C ARG A 152 6.017 4.276 -8.965 1.00 6.46 C ATOM 2338 O ARG A 152 5.026 3.775 -8.375 1.00 6.30 O ATOM 2339 CB ARG A 152 5.902 5.364 -11.245 1.00 5.42 C ATOM 2340 CG ARG A 152 4.495 5.900 -11.051 1.00 5.71 C ATOM 2341 CD ARG A 152 4.268 7.134 -11.952 1.00 6.55 C ATOM 2342 NE ARG A 152 2.905 7.643 -11.812 1.00 7.15 N ATOM 2343 CZ ARG A 152 2.478 8.825 -12.272 1.00 7.55 C ATOM 2344 NH1 ARG A 152 3.301 9.608 -12.947 1.00 10.41 N ATOM 2345 NH2 ARG A 152 1.189 9.143 -12.150 1.00 10.85 N ATOM 2346 HA ARG A 152 7.336 3.915 -10.612 1.00 0.00 H ATOM 2347 HB2 ARG A 152 6.600 6.154 -10.966 1.00 0.00 H ATOM 2348 HB3 ARG A 152 6.025 5.129 -12.302 1.00 0.00 H ATOM 2349 HG2 ARG A 152 3.774 5.125 -11.312 1.00 0.00 H ATOM 2350 HG3 ARG A 152 4.358 6.185 -10.008 1.00 0.00 H ATOM 2351 HD2 ARG A 152 4.439 6.853 -12.991 1.00 0.00 H ATOM 2352 HD3 ARG A 152 4.972 7.917 -11.669 1.00 0.00 H ATOM 2353 HE ARG A 152 2.215 7.042 -11.318 1.00 0.00 H ATOM 2354 HH12 ARG A 152 2.969 10.526 -13.304 1.00 0.00 H ATOM 2355 HH11 ARG A 152 4.281 9.306 -13.121 1.00 0.00 H ATOM 2356 HH22 ARG A 152 0.844 10.058 -12.503 1.00 0.00 H ATOM 2357 HH21 ARG A 152 0.529 8.476 -11.702 1.00 0.00 H ATOM 2358 H ARG A 152 4.546 2.794 -10.390 1.00 0.00 H ATOM 2359 N LEU A 153 6.878 5.025 -8.316 1.00 6.42 N ATOM 2360 CA LEU A 153 6.850 5.200 -6.889 1.00 6.44 C ATOM 2361 C LEU A 153 6.512 6.631 -6.450 1.00 6.63 C ATOM 2362 O LEU A 153 7.033 7.566 -7.058 1.00 9.90 O ATOM 2363 CB LEU A 153 8.219 4.828 -6.270 1.00 7.42 C ATOM 2364 CG LEU A 153 8.690 3.432 -6.599 1.00 8.46 C ATOM 2365 CD1 LEU A 153 10.052 3.237 -5.878 1.00 14.83 C ATOM 2366 CD2 LEU A 153 7.707 2.450 -6.202 1.00 8.84 C ATOM 2367 HA LEU A 153 6.059 4.540 -6.534 1.00 0.00 H ATOM 2368 HB2 LEU A 153 8.963 5.535 -6.636 1.00 0.00 H ATOM 2369 HB3 LEU A 153 8.139 4.915 -5.186 1.00 0.00 H ATOM 2370 HG LEU A 153 8.820 3.298 -7.673 1.00 0.00 H ATOM 2371 HD21 LEU A 153 7.539 2.520 -5.127 1.00 0.00 H ATOM 2372 HD22 LEU A 153 6.772 2.639 -6.730 1.00 0.00 H ATOM 2373 HD23 LEU A 153 8.071 1.453 -6.450 1.00 0.00 H ATOM 2374 HD11 LEU A 153 10.762 3.981 -6.239 1.00 0.00 H ATOM 2375 HD12 LEU A 153 9.913 3.356 -4.803 1.00 0.00 H ATOM 2376 HD13 LEU A 153 10.433 2.237 -6.088 1.00 0.00 H ATOM 2377 H LEU A 153 7.616 5.516 -8.860 1.00 0.00 H ATOM 2378 N TYR A 154 5.612 6.825 -5.465 1.00 6.31 N ATOM 2379 CA TYR A 154 5.411 8.131 -4.876 1.00 5.87 C ATOM 2380 C TYR A 154 6.084 8.150 -3.517 1.00 5.36 C ATOM 2381 O TYR A 154 5.960 7.196 -2.738 1.00 6.72 O ATOM 2382 CB TYR A 154 3.950 8.395 -4.600 1.00 7.51 C ATOM 2383 CG TYR A 154 2.907 8.183 -5.655 1.00 8.89 C ATOM 2384 CD1 TYR A 154 3.215 8.119 -7.021 1.00 8.14 C ATOM 2385 CD2 TYR A 154 1.591 8.115 -5.300 1.00 7.72 C ATOM 2386 CE1 TYR A 154 2.168 7.927 -7.979 1.00 7.74 C ATOM 2387 CE2 TYR A 154 0.575 7.941 -6.218 1.00 8.85 C ATOM 2388 CZ TYR A 154 0.850 7.904 -7.530 1.00 10.23 C ATOM 2389 OH TYR A 154 -0.129 7.706 -8.480 1.00 10.25 O ATOM 2390 HA TYR A 154 5.809 8.871 -5.571 1.00 0.00 H ATOM 2391 HB3 TYR A 154 3.877 9.440 -4.299 1.00 0.00 H ATOM 2392 HB2 TYR A 154 3.674 7.757 -3.761 1.00 0.00 H ATOM 2393 HD2 TYR A 154 1.331 8.202 -4.245 1.00 0.00 H ATOM 2394 HE2 TYR A 154 -0.454 7.833 -5.875 1.00 0.00 H ATOM 2395 HE1 TYR A 154 2.398 7.802 -9.037 1.00 0.00 H ATOM 2396 HD1 TYR A 154 4.249 8.215 -7.353 1.00 0.00 H ATOM 2397 HH TYR A 154 0.281 7.713 -9.381 1.00 0.00 H ATOM 2398 H TYR A 154 5.051 6.019 -5.122 1.00 0.00 H ATOM 2399 N SER A 155 6.706 9.275 -3.157 1.00 7.53 N ATOM 2400 CA SER A 155 7.240 9.480 -1.787 1.00 6.69 C ATOM 2401 C SER A 155 6.758 10.850 -1.371 1.00 6.28 C ATOM 2402 O SER A 155 7.289 11.859 -1.833 1.00 7.15 O ATOM 2403 CB SER A 155 8.762 9.438 -1.774 1.00 6.97 C ATOM 2404 OG SER A 155 9.225 8.194 -2.249 1.00 7.90 O ATOM 2405 HA SER A 155 6.900 8.695 -1.111 1.00 0.00 H ATOM 2406 HB2 SER A 155 9.117 9.588 -0.754 1.00 0.00 H ATOM 2407 HB3 SER A 155 9.149 10.233 -2.412 1.00 0.00 H ATOM 2408 HG SER A 155 10.215 8.184 -2.234 1.00 0.00 H ATOM 2409 H SER A 155 6.820 10.033 -3.860 1.00 0.00 H ATOM 2410 N TYR A 156 5.708 10.866 -0.559 1.00 5.92 N ATOM 2411 CA TYR A 156 5.094 12.086 -0.125 1.00 7.05 C ATOM 2412 C TYR A 156 5.205 12.284 1.343 1.00 6.88 C ATOM 2413 O TYR A 156 5.413 11.331 2.124 1.00 6.71 O ATOM 2414 CB TYR A 156 3.617 12.143 -0.484 1.00 7.50 C ATOM 2415 CG TYR A 156 3.328 11.971 -1.972 1.00 8.04 C ATOM 2416 CD1 TYR A 156 4.150 12.465 -2.969 1.00 9.37 C ATOM 2417 CD2 TYR A 156 2.142 11.340 -2.337 1.00 6.75 C ATOM 2418 CE1 TYR A 156 3.843 12.288 -4.328 1.00 8.72 C ATOM 2419 CE2 TYR A 156 1.802 11.149 -3.741 1.00 8.05 C ATOM 2420 CZ TYR A 156 2.638 11.659 -4.680 1.00 6.66 C ATOM 2421 OH TYR A 156 2.354 11.401 -6.010 1.00 8.27 O ATOM 2422 HA TYR A 156 5.636 12.875 -0.646 1.00 0.00 H ATOM 2423 HB3 TYR A 156 3.225 13.110 -0.169 1.00 0.00 H ATOM 2424 HB2 TYR A 156 3.102 11.350 0.058 1.00 0.00 H ATOM 2425 HD2 TYR A 156 1.460 10.985 -1.564 1.00 0.00 H ATOM 2426 HE2 TYR A 156 0.899 10.610 -4.029 1.00 0.00 H ATOM 2427 HE1 TYR A 156 4.531 12.634 -5.099 1.00 0.00 H ATOM 2428 HD1 TYR A 156 5.057 13.004 -2.694 1.00 0.00 H ATOM 2429 HH TYR A 156 3.039 11.829 -6.582 1.00 0.00 H ATOM 2430 H TYR A 156 5.317 9.962 -0.226 1.00 0.00 H ATOM 2431 N HIS A 157 5.049 13.508 1.807 1.00 7.00 N ATOM 2432 CA HIS A 157 5.288 13.918 3.200 1.00 6.71 C ATOM 2433 C HIS A 157 4.481 15.141 3.514 1.00 6.05 C ATOM 2434 O HIS A 157 4.041 15.892 2.666 1.00 7.66 O ATOM 2435 CB HIS A 157 6.793 14.188 3.488 1.00 9.34 C ATOM 2436 CG HIS A 157 7.467 15.095 2.456 1.00 8.98 C ATOM 2437 ND1 HIS A 157 7.199 16.433 2.323 1.00 10.78 N ATOM 2438 CD2 HIS A 157 8.349 14.771 1.434 1.00 9.67 C ATOM 2439 CE1 HIS A 157 7.952 16.942 1.311 1.00 13.28 C ATOM 2440 NE2 HIS A 157 8.635 15.932 0.755 1.00 11.96 N ATOM 2441 HA HIS A 157 4.979 13.092 3.841 1.00 0.00 H ATOM 2442 HB2 HIS A 157 6.876 14.660 4.467 1.00 0.00 H ATOM 2443 HB3 HIS A 157 7.317 13.233 3.501 1.00 0.00 H ATOM 2444 HD2 HIS A 157 8.742 13.779 1.211 1.00 0.00 H ATOM 2445 HE1 HIS A 157 7.993 17.988 1.006 1.00 0.00 H ATOM 2446 H HIS A 157 4.733 14.239 1.138 1.00 0.00 H ATOM 2447 N ARG A 158 4.309 15.392 4.809 1.00 7.71 N ATOM 2448 CA ARG A 158 3.729 16.631 5.310 1.00 8.57 C ATOM 2449 C ARG A 158 4.302 16.782 6.700 1.00 8.51 C ATOM 2450 O ARG A 158 4.885 15.869 7.319 1.00 10.24 O ATOM 2451 CB ARG A 158 2.196 16.603 5.274 1.00 8.78 C ATOM 2452 CG ARG A 158 1.658 15.535 6.245 1.00 10.84 C ATOM 2453 CD ARG A 158 0.142 15.726 6.381 1.00 13.74 C ATOM 2454 NE ARG A 158 -0.441 14.651 7.172 1.00 10.33 N ATOM 2455 CZ ARG A 158 -1.695 14.585 7.548 1.00 12.11 C ATOM 2456 NH1 ARG A 158 -2.493 15.636 7.317 1.00 16.85 N ATOM 2457 NH2 ARG A 158 -2.167 13.484 8.185 1.00 15.18 N ATOM 2458 HA ARG A 158 3.978 17.493 4.691 1.00 0.00 H ATOM 2459 HB2 ARG A 158 1.811 17.580 5.565 1.00 0.00 H ATOM 2460 HB3 ARG A 158 1.864 16.370 4.262 1.00 0.00 H ATOM 2461 HG2 ARG A 158 1.871 14.540 5.854 1.00 0.00 H ATOM 2462 HG3 ARG A 158 2.133 15.650 7.219 1.00 0.00 H ATOM 2463 HD2 ARG A 158 -0.310 15.727 5.389 1.00 0.00 H ATOM 2464 HD3 ARG A 158 -0.057 16.680 6.870 1.00 0.00 H ATOM 2465 HE ARG A 158 0.187 13.874 7.461 1.00 0.00 H ATOM 2466 HH12 ARG A 158 -3.491 15.605 7.607 1.00 0.00 H ATOM 2467 HH11 ARG A 158 -2.114 16.483 6.848 1.00 0.00 H ATOM 2468 HH22 ARG A 158 -3.163 13.441 8.480 1.00 0.00 H ATOM 2469 HH21 ARG A 158 -1.532 12.683 8.379 1.00 0.00 H ATOM 2470 H ARG A 158 4.603 14.669 5.497 1.00 0.00 H ATOM 2471 N SER A 159 4.163 17.960 7.271 1.00 12.01 N ATOM 2472 CA SER A 159 4.617 18.229 8.611 1.00 15.55 C ATOM 2473 C SER A 159 3.643 17.522 9.592 1.00 15.82 C ATOM 2474 O SER A 159 4.033 17.326 10.774 1.00 24.50 O ATOM 2475 CB SER A 159 4.651 19.773 8.853 1.00 16.64 C ATOM 2476 OG SER A 159 3.307 20.157 8.840 1.00 19.57 O ATOM 2477 HA SER A 159 5.627 17.850 8.769 1.00 0.00 H ATOM 2478 OXT SER A 159 2.404 17.333 9.359 1.00 21.83 O ATOM 2479 HB2 SER A 159 5.204 20.276 8.060 1.00 0.00 H ATOM 2480 HB3 SER A 159 5.109 20.003 9.815 1.00 0.00 H ATOM 2481 HG SER A 159 2.822 19.680 9.559 1.00 0.00 H ATOM 2482 H SER A 159 3.708 18.726 6.734 1.00 0.00 H TER 2483 SER A 159 HETATM 2484 O HOH 1 14.865 2.455 6.546 1.00 23.85 O HETATM 2485 O HOH 2 -6.675 1.787 -12.801 1.00 7.20 O HETATM 2486 O HOH 3 7.858 -8.406 3.428 1.00 12.85 O HETATM 2487 O HOH 4 -14.224 -8.860 -11.659 1.00 38.38 O HETATM 2488 O HOH 5 12.934 2.106 13.404 1.00 24.19 O HETATM 2489 O HOH 6 -10.451 -3.297 -16.038 1.00 9.76 O HETATM 2490 O HOH 7 4.906 1.334 -1.846 1.00 6.84 O HETATM 2491 O HOH 8 5.692 -7.178 17.881 1.00 13.01 O HETATM 2492 O HOH 9 7.259 4.477 -2.633 1.00 10.04 O HETATM 2493 O HOH 10 0.074 -11.083 -6.574 1.00 20.56 O HETATM 2494 O HOH 11 7.011 -9.334 15.136 1.00 13.00 O HETATM 2495 O HOH 12 -14.907 -5.650 -6.085 1.00 11.43 O HETATM 2496 O HOH 13 10.587 -1.063 15.543 1.00 19.36 O HETATM 2497 O HOH 14 -12.212 -2.034 -17.725 1.00 14.45 O HETATM 2498 O HOH 15 11.928 -2.826 -12.444 1.00 18.08 O HETATM 2499 O HOH 16 -4.414 14.174 4.850 1.00 14.12 O HETATM 2500 O HOH 17 2.718 20.063 5.829 1.00 12.67 O HETATM 2501 O HOH 18 -14.082 -7.409 -4.126 1.00 20.28 O HETATM 2502 O HOH 19 7.418 14.774 -8.713 1.00 10.84 O HETATM 2503 O HOH 20 16.130 -5.004 0.498 1.00 38.92 O HETATM 2504 O HOH 21 11.498 6.617 -8.557 1.00 21.80 O HETATM 2505 O HOH 22 -4.461 -17.117 6.944 1.00 11.67 O HETATM 2506 O HOH 23 -4.956 13.476 7.590 1.00 21.85 O HETATM 2507 O HOH 24 -5.040 8.443 -3.247 1.00 15.07 O HETATM 2508 O HOH 25 -9.564 2.859 -14.646 1.00 22.67 O HETATM 2509 O HOH 26 3.501 -14.717 20.136 1.00 28.73 O HETATM 2510 O HOH 27 -3.038 3.065 -15.951 1.00 18.86 O HETATM 2511 O HOH 28 5.826 -13.190 -9.112 1.00 24.81 O HETATM 2512 O HOH 29 -7.392 3.622 23.978 1.00 55.36 O HETATM 2513 O HOH 30 -7.265 4.051 -14.323 1.00 16.42 O HETATM 2514 O HOH 31 15.635 -6.205 10.525 1.00 23.48 O HETATM 2515 O HOH 32 -14.314 -6.616 -13.597 1.00 34.07 O HETATM 2516 O HOH 33 14.079 -5.534 -0.590 1.00 18.96 O HETATM 2517 O HOH 34 5.645 12.530 13.553 1.00 33.31 O HETATM 2518 O HOH 35 11.682 10.896 -3.463 1.00 36.48 O HETATM 2519 O HOH 36 13.012 -5.162 -12.524 1.00 19.23 O HETATM 2520 O HOH 37 14.407 -0.203 5.867 1.00 21.03 O HETATM 2521 O HOH 38 -5.195 16.793 5.215 1.00 15.13 O HETATM 2522 O HOH 39 10.184 11.970 8.554 1.00 27.45 O HETATM 2523 O HOH 40 -8.619 -14.479 6.107 1.00 27.26 O HETATM 2524 O HOH 41 -14.143 1.455 -0.097 1.00 32.72 O HETATM 2525 O HOH 42 12.282 5.468 6.516 1.00 18.76 O HETATM 2526 O HOH 43 -2.112 18.258 6.261 1.00 20.38 O HETATM 2527 O HOH 44 12.274 8.181 -10.689 1.00 22.84 O HETATM 2528 O HOH 45 8.075 22.196 7.714 1.00 30.12 O HETATM 2529 O HOH 46 10.822 4.955 -1.813 1.00 25.28 O HETATM 2530 O HOH 47 9.594 12.012 -11.863 1.00 30.78 O HETATM 2531 O HOH 48 10.587 -13.013 -8.882 1.00 37.47 O HETATM 2532 O HOH 49 -11.303 7.151 -3.210 1.00 30.19 O HETATM 2533 O HOH 50 -7.437 -11.190 1.656 1.00 20.51 O HETATM 2534 O HOH 51 10.986 -3.243 14.312 1.00 28.70 O HETATM 2535 O HOH 52 16.223 -0.575 12.432 1.00 32.39 O HETATM 2536 O HOH 53 4.221 -12.004 -13.715 1.00 26.54 O HETATM 2537 O HOH 54 11.884 11.133 -10.040 1.00 50.95 O HETATM 2538 O HOH 55 -14.612 -4.901 11.422 1.00 28.52 O HETATM 2539 O HOH 56 -13.858 -7.382 18.211 1.00 17.46 O HETATM 2540 O HOH 57 10.085 15.196 -8.936 1.00 27.75 O HETATM 2541 O HOH 58 -7.568 16.093 6.067 1.00 34.83 O HETATM 2542 O HOH 59 -12.277 6.446 -0.936 1.00 35.36 O HETATM 2543 O HOH 60 14.721 -6.297 -9.655 1.00 22.78 O HETATM 2544 O HOH 61 10.212 14.703 -12.244 1.00 45.00 O HETATM 2545 O HOH 62 -14.396 4.779 -0.174 1.00 59.64 O HETATM 2546 O HOH 63 12.392 -9.960 -18.290 1.00 34.64 O HETATM 2547 O HOH 64 13.823 0.718 17.718 1.00 41.04 O HETATM 2548 O HOH 65 -0.248 11.382 -13.208 1.00 27.31 O HETATM 2549 O HOH 66 6.150 -9.343 19.863 1.00 25.44 O HETATM 2550 O HOH 67 -9.301 1.922 -17.078 1.00 20.08 O HETATM 2551 O HOH 68 -14.471 -1.530 -16.103 1.00 24.05 O HETATM 2552 O HOH 69 14.189 7.343 6.378 1.00 42.46 O HETATM 2553 O HOH 70 -7.058 7.618 -4.804 1.00 23.78 O HETATM 2554 O HOH 71 13.352 -5.707 -7.348 1.00 18.47 O HETATM 2555 O HOH 72 -7.807 11.787 7.764 1.00 24.83 O HETATM 2556 O HOH 73 9.660 17.097 -13.579 1.00 24.13 O HETATM 2557 O HOH 74 5.930 14.361 -11.014 1.00 17.21 O HETATM 2558 O HOH 75 -10.869 9.358 -4.527 1.00 30.21 O HETATM 2559 O HOH 76 8.045 19.263 7.728 1.00 33.02 O HETATM 2560 O HOH 77 -8.904 13.307 9.764 1.00 34.73 O HETATM 2561 O HOH 78 -15.835 6.455 1.813 1.00 59.90 O HETATM 2562 O HOH 79 9.264 5.450 -9.853 1.00 9.69 O HETATM 2563 O HOH 80 0.133 -4.441 23.459 1.00 7.89 O HETATM 2564 O HOH 81 1.757 -5.409 -4.970 1.00 9.23 O HETATM 2565 O HOH 82 8.703 -10.471 12.989 1.00 16.64 O HETATM 2566 O HOH 83 2.672 -16.719 13.405 1.00 14.17 O HETATM 2567 O HOH 84 12.410 3.163 5.133 1.00 18.54 O HETATM 2568 O HOH 85 -0.016 -8.892 -13.166 1.00 15.86 O HETATM 2569 O HOH 86 -3.024 -8.265 -13.466 1.00 20.42 O HETATM 2570 O HOH 87 -0.115 -4.980 -2.828 1.00 11.36 O HETATM 2571 O HOH 88 -12.209 -1.550 4.927 1.00 18.17 O HETATM 2572 O HOH 89 2.519 12.352 -13.404 1.00 22.50 O HETATM 2573 O HOH 90 -19.342 -2.524 -9.110 1.00 16.10 O HETATM 2574 O HOH 91 7.622 -15.569 10.145 1.00 25.07 O HETATM 2575 O HOH 92 1.718 -11.388 21.355 1.00 17.36 O HETATM 2576 O HOH 93 8.531 -12.481 -5.156 1.00 27.83 O HETATM 2577 O HOH 94 5.533 22.828 -2.933 1.00 20.02 O HETATM 2578 O HOH 95 7.922 -14.980 6.384 1.00 21.78 O HETATM 2579 O HOH 96 -1.183 7.262 -14.218 1.00 14.47 O HETATM 2580 O HOH 97 10.616 -0.708 18.374 1.00 25.02 O HETATM 2581 O HOH 98 6.207 12.239 -12.903 1.00 31.73 O HETATM 2582 O HOH 99 -6.357 -7.870 -12.505 1.00 28.69 O HETATM 2583 O HOH 100 12.135 1.063 19.774 1.00 27.71 O HETATM 2584 O HOH 101 -13.702 0.904 19.243 1.00 34.40 O HETATM 2585 O HOH 102 11.737 -8.223 -7.787 1.00 39.36 O HETATM 2586 O HOH 103 4.199 -18.607 14.377 1.00 32.05 O HETATM 2587 O HOH 104 0.873 -20.202 16.138 1.00 26.84 O HETATM 2588 O HOH 105 -12.644 1.105 5.670 1.00 33.18 O HETATM 2589 O HOH 106 4.234 0.945 17.605 1.00 30.41 O HETATM 2590 O HOH 107 -13.522 -3.165 1.099 1.00 36.83 O HETATM 2591 O HOH 108 7.878 -17.041 2.624 1.00 40.36 O HETATM 2592 O HOH 109 -12.662 2.996 15.098 1.00 56.63 O HETATM 2593 O HOH 110 4.817 -16.080 -9.138 1.00 46.92 O HETATM 2594 O HOH 111 -8.812 11.197 3.079 1.00 31.57 O HETATM 2595 O HOH 112 -8.956 17.532 -1.692 1.00 29.98 O HETATM 2596 O HOH 113 -8.028 15.650 2.706 1.00 23.21 O HETATM 2597 O HOH 114 9.853 -7.659 -20.156 1.00 37.79 O HETATM 2598 O HOH 115 -8.437 12.794 5.442 1.00 31.43 O HETATM 2599 O HOH 116 -0.943 -2.420 -0.785 1.00 11.59 O HETATM 2600 O HOH 117 -2.251 -3.464 -3.147 1.00 9.44 O HETATM 2601 O HOH 118 -2.567 -2.433 1.498 1.00 17.52 O HETATM 2602 O HOH 119 -8.873 -3.210 2.815 1.00 24.76 O HETATM 2603 O HOH 120 -8.885 9.268 8.213 1.00 25.42 O HETATM 2604 O HOH 121 -6.062 6.997 -7.215 1.00 21.62 O HETATM 2605 O HOH 122 -10.067 8.210 6.083 1.00 57.55 O HETATM 2606 O HOH 123 12.868 -4.593 -16.040 1.00 32.55 O HETATM 2607 O HOH 124 11.774 8.735 -2.174 1.00 28.95 O HETATM 2608 O HOH 125 7.484 15.501 7.031 1.00 33.99 O HETATM 2609 O HOH 126 -10.790 -7.982 -11.975 1.00 29.32 O HETATM 2610 O HOH 127 0.887 13.681 12.440 1.00 35.46 O HETATM 2611 O HOH 128 12.385 4.355 -16.372 1.00 24.47 O HETATM 2612 O HOH 129 -9.977 -9.903 5.022 1.00 32.63 O HETATM 2613 O HOH 130 -16.151 -5.997 17.127 1.00 27.58 O HETATM 2614 O HOH 131 13.751 4.744 -14.208 1.00 28.53 O HETATM 2615 O HOH 132 2.742 -9.691 -6.480 1.00 19.77 O HETATM 2616 O HOH 133 7.741 9.727 2.133 1.00 9.68 O HETATM 2617 O HOH 134 14.220 5.775 8.612 1.00 38.86 O HETATM 2618 O HOH 135 4.183 14.871 14.406 1.00 34.86 O HETATM 2619 O HOH 136 9.566 11.812 1.770 1.00 22.14 O HETATM 2620 O HOH 137 -1.004 -6.310 -0.567 1.00 15.50 O HETATM 2621 O HOH 138 -4.736 11.208 -3.194 1.00 14.66 O HETATM 2622 O HOH 139 6.901 -19.478 4.728 1.00 16.71 O HETATM 2623 O HOH 140 1.803 -20.664 5.044 1.00 25.13 O HETATM 2624 O HOH 141 7.893 1.036 21.482 1.00 45.18 O HETATM 2625 O HOH 142 3.433 -7.414 -5.098 1.00 18.52 O HETATM 2626 O HOH 143 14.541 -8.430 -3.929 1.00 34.25 O HETATM 2627 O HOH 144 -13.182 -14.844 21.619 1.00 40.34 O HETATM 2628 O HOH 145 -7.253 7.541 -9.222 1.00 27.56 O HETATM 2629 O HOH 146 -14.742 -6.974 14.169 1.00 38.70 O HETATM 2630 O HOH 147 -15.237 -7.112 5.717 1.00 57.20 O HETATM 2631 O HOH 148 -17.742 -3.354 -14.831 1.00 40.42 O HETATM 2632 O HOH 149 4.778 -11.052 -6.813 1.00 25.98 O HETATM 2633 O HOH 150 5.723 -11.582 -18.761 1.00 36.16 O HETATM 2634 O HOH 151 16.338 -0.633 8.624 1.00 34.03 O HETATM 2635 O HOH 152 -14.877 5.648 -4.234 1.00 45.66 O HETATM 2636 O HOH 153 -0.473 -13.291 -8.324 1.00 31.37 O HETATM 2637 O HOH 154 -9.851 8.444 11.343 1.00 47.79 O HETATM 2638 O HOH 155 12.058 17.250 -4.027 1.00 49.07 O HETATM 2639 O HOH 156 2.956 8.060 -18.812 1.00 28.83 O HETATM 2640 O HOH 157 -12.187 5.702 10.925 1.00 31.22 O HETATM 2641 O HOH 158 6.031 -12.275 -11.517 1.00 23.57 O HETATM 2642 O HOH 159 5.830 -13.045 -15.832 1.00 28.37 O HETATM 2643 O HOH 160 -8.903 8.816 19.910 1.00 49.82 O HETATM 2644 O HOH 161 -17.032 1.461 -7.386 1.00 25.86 O HETATM 2645 O HOH 162 -14.140 -2.106 -13.416 1.00 13.77 O HETATM 2646 O HOH 163 -11.165 0.397 1.036 1.00 20.69 O HETATM 2647 O HOH 164 -8.672 5.720 -3.560 1.00 14.90 O HETATM 2648 O HOH 165 -10.069 -7.225 -1.755 1.00 18.86 O HETATM 2649 O HOH 166 -12.457 4.224 -11.145 1.00 16.81 O HETATM 2650 O HOH 167 4.047 10.956 11.759 1.00 18.16 O HETATM 2651 O HOH 168 -14.995 1.005 -5.263 1.00 19.47 O HETATM 2652 O HOH 169 -11.687 -3.505 -13.514 1.00 14.50 O HETATM 2653 O HOH 170 -8.501 19.699 -0.019 1.00 16.05 O HETATM 2654 O HOH 171 7.889 -8.130 0.638 1.00 13.20 O HETATM 2655 O HOH 172 -9.103 -11.852 6.955 1.00 17.39 O HETATM 2656 O HOH 173 11.356 9.557 7.903 1.00 22.43 O HETATM 2657 O HOH 174 -3.481 -11.926 -3.278 1.00 11.87 O HETATM 2658 O HOH 175 -1.338 -16.285 14.860 1.00 22.73 O HETATM 2659 O HOH 176 7.995 -8.642 -12.599 1.00 15.91 O HETATM 2660 O HOH 177 -9.155 7.943 2.246 1.00 21.69 O HETATM 2661 O HOH 178 -11.361 2.954 10.445 1.00 17.32 O HETATM 2662 O HOH 179 -10.089 5.678 0.462 1.00 21.59 O HETATM 2663 O HOH 180 8.368 -11.216 -12.623 1.00 17.97 O HETATM 2664 O HOH 181 6.128 9.613 -13.694 1.00 20.01 O HETATM 2665 O HOH 182 12.452 5.425 3.611 1.00 20.89 O HETATM 2666 O HOH 183 -6.339 13.560 3.037 1.00 18.56 O HETATM 2667 O HOH 184 -8.979 3.829 4.286 1.00 19.42 O HETATM 2668 O HOH 185 5.933 5.599 15.124 1.00 20.86 O HETATM 2669 O HOH 186 8.500 -12.635 16.258 1.00 21.56 O HETATM 2670 O HOH 187 0.360 -17.770 12.458 1.00 23.90 O HETATM 2671 O HOH 188 7.685 12.884 9.323 1.00 22.54 O HETATM 2672 O HOH 189 5.520 -17.848 10.427 1.00 26.85 O HETATM 2673 O HOH 190 -7.301 -15.632 18.198 1.00 27.58 O HETATM 2674 O HOH 191 -12.274 1.206 12.431 1.00 28.67 O HETATM 2675 O HOH 192 -15.024 0.252 -2.561 1.00 17.17 O HETATM 2676 O HOH 193 -7.849 8.312 13.892 1.00 33.31 O HETATM 2677 O HOH 194 8.519 -12.194 -15.244 1.00 24.65 O HETATM 2678 O HOH 195 10.681 -9.648 -4.576 1.00 22.23 O HETATM 2679 O HOH 196 2.188 20.530 11.212 1.00 27.34 O HETATM 2680 O HOH 197 9.530 8.477 -5.259 1.00 23.82 O HETATM 2681 O HOH 198 -15.485 3.068 -11.346 1.00 27.17 O HETATM 2682 O HOH 199 -9.702 3.190 1.740 1.00 24.54 O HETATM 2683 O HOH 200 -7.632 -6.813 -0.452 1.00 36.80 O HETATM 2684 O HOH 201 12.224 4.966 -12.214 1.00 34.52 O HETATM 2685 O HOH 202 3.191 25.964 -0.635 1.00 30.98 O HETATM 2686 O HOH 203 -11.438 -2.355 2.228 1.00 31.91 O HETATM 2687 O HOH 204 12.598 8.407 9.712 1.00 45.63 O HETATM 2688 O HOH 205 9.335 13.816 6.149 1.00 35.20 O HETATM 2689 O HOH 206 -2.011 6.209 -16.533 1.00 24.19 O HETATM 2690 O HOH 207 -5.574 6.924 -16.566 1.00 31.76 O HETATM 2691 O HOH 208 -7.988 6.460 -12.785 1.00 24.76 O HETATM 2692 O HOH 209 -8.317 7.156 -17.118 1.00 37.05 O HETATM 2693 O HOH 210 -7.182 10.458 -19.046 1.00 43.20 O HETATM 2694 O HOH 211 -8.453 10.131 -5.204 1.00 26.78 O HETATM 2695 O HOH 212 -2.366 8.127 -4.316 1.00 18.54 O HETATM 2696 O HOH 213 -15.193 -6.855 -8.585 1.00 19.78 O HETATM 2697 O HOH 214 -14.410 -6.207 -16.775 1.00 37.86 O HETATM 2698 O HOH 215 -11.035 0.200 -18.480 1.00 15.10 O HETATM 2699 O HOH 216 -12.473 -10.333 0.533 1.00 43.15 O HETATM 2700 O HOH 217 13.255 1.190 -5.479 1.00 25.92 O HETATM 2701 O HOH 218 9.930 -9.975 0.978 1.00 28.73 O HETATM 2702 O HOH 219 6.980 -11.184 3.692 1.00 19.65 O HETATM 2703 O HOH 220 9.842 -10.555 4.034 1.00 31.64 O HETATM 2704 O HOH 221 16.106 -1.921 3.934 1.00 28.96 O HETATM 2705 O HOH 222 -10.893 -12.636 9.106 1.00 30.00 O HETATM 2706 O HOH 223 -5.252 -6.157 3.710 1.00 28.83 O HETATM 2707 O HOH 224 -3.473 -15.617 14.457 1.00 18.34 O HETATM 2708 O HOH 225 -11.107 -13.192 15.340 1.00 30.57 O HETATM 2709 O HOH 226 -9.834 -13.794 19.639 1.00 37.68 O HETATM 2710 O HOH 227 -7.835 -12.663 27.056 1.00 17.65 O HETATM 2711 O HOH 228 -11.063 -10.862 27.211 1.00 25.47 O HETATM 2712 O HOH 229 3.323 -23.032 4.200 1.00 59.54 O HETATM 2713 O HOH 230 -11.264 -7.389 24.450 1.00 15.48 O HETATM 2714 O HOH 231 3.070 -0.982 19.428 1.00 23.94 O HETATM 2715 O HOH 232 -19.091 3.945 -4.873 1.00 86.08 O HETATM 2716 O HOH 233 8.281 8.254 -16.461 1.00 24.92 O HETATM 2717 O HOH 234 12.340 0.222 -17.157 1.00 17.88 O HETATM 2718 O HOH 235 10.412 15.583 -1.185 1.00 30.70 O HETATM 2719 N1 CP A 6 2.424 -1.797 0.335 1.00 -0.25 N HETATM 2720 C2 CP A 6 3.038 -2.215 -0.802 1.00 0.16 C HETATM 2721 N6 CP A 6 2.979 -3.527 -1.207 1.00 -0.27 N HETATM 2722 C5 CP A 6 2.479 -4.496 -0.390 1.00 0.03 C HETATM 2723 C4 CP A 6 1.867 -4.160 0.788 1.00 0.04 C HETATM 2724 C3 CP A 6 1.843 -2.772 1.095 1.00 0.11 C HETATM 2725 N13 CP A 6 1.221 -2.337 2.235 1.00 -0.32 N HETATM 2726 H5 CP A 6 0.760 -3.013 2.860 1.00 0.18 H HETATM 2727 H6 CP A 6 1.214 -1.334 2.467 1.00 0.18 H HETATM 2728 C7 CP A 6 1.309 -5.138 1.720 1.00 -0.02 C HETATM 2729 C8 CP A 6 -0.050 -5.138 2.105 1.00 -0.06 C HETATM 2730 C9 CP A 6 -0.534 -6.067 3.067 1.00 -0.05 C HETATM 2731 C10 CP A 6 0.426 -6.964 3.634 1.00 0.04 C HETATM 2732 C11 CP A 6 1.811 -6.968 3.334 1.00 -0.05 C HETATM 2733 C12 CP A 6 2.188 -6.062 2.330 1.00 -0.06 C HETATM 2734 H4 CP A 6 3.221 -6.072 2.001 1.00 0.06 H HETATM 2735 H3 CP A 6 2.519 -7.616 3.837 1.00 0.06 H HETATM 2736 CL1 CP A 6 -0.181 -8.116 4.794 1.00 -0.07 CL HETATM 2737 H2 CP A 6 -1.578 -6.094 3.356 1.00 0.06 H HETATM 2738 H1 CP A 6 -0.732 -4.421 1.662 1.00 0.06 H HETATM 2739 C15 CP A 6 2.571 -5.908 -0.978 1.00 -0.01 C HETATM 2740 C16 CP A 6 4.050 -6.366 -1.000 1.00 -0.05 C HETATM 2741 H11 CP A 6 4.114 -7.380 -1.422 1.00 0.03 H HETATM 2742 H12 CP A 6 4.448 -6.370 0.025 1.00 0.03 H HETATM 2743 H13 CP A 6 4.639 -5.673 -1.619 1.00 0.03 H HETATM 2744 H9 CP A 6 2.174 -5.904 -2.004 1.00 0.05 H HETATM 2745 H10 CP A 6 1.982 -6.601 -0.359 1.00 0.05 H HETATM 2746 N14 CP A 6 3.638 -1.380 -1.572 1.00 -0.31 N HETATM 2747 H7 CP A 6 3.704 -0.388 -1.304 1.00 0.18 H HETATM 2748 H8 CP A 6 4.053 -1.703 -2.458 1.00 0.18 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 2719 2720 2724 CONECT 2720 2719 2721 2746 CONECT 2721 2720 2722 CONECT 2722 2721 2723 2739 CONECT 2723 2722 2724 2728 CONECT 2724 2719 2723 2725 CONECT 2725 2724 2726 2727 CONECT 2726 2725 CONECT 2727 2725 CONECT 2728 2723 2729 2733 CONECT 2729 2728 2730 2738 CONECT 2730 2729 2731 2737 CONECT 2731 2730 2732 2736 CONECT 2732 2731 2733 2735 CONECT 2733 2728 2732 2734 CONECT 2734 2733 CONECT 2735 2732 CONECT 2736 2731 CONECT 2737 2730 CONECT 2738 2729 CONECT 2739 2722 2740 2744 2745 CONECT 2740 2739 2741 2742 2743 CONECT 2741 2740 CONECT 2742 2740 CONECT 2743 2740 CONECT 2744 2739 CONECT 2745 2739 CONECT 2746 2720 2747 2748 CONECT 2747 2746 CONECT 2748 2746 MASTER 0 0 0 0 0 0 0 0 2747 1 34 13 END
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Structure:
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Related entries of code: 4km0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4km2
RCSB PDB
PDBbind
179aa, >4KM2_1|Chains... at 100%
4kne
RCSB PDB
PDBbind
179aa, >4KNE_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4km0
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Dihydrofolate reductase
Ligand Name
CP6
EC.Number
E.C.1.5.1.3
Resolution
1.3(Å)
Affinity (Kd/Ki/IC50)
Kd=0.91uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Structure Vol. 22: pp. 94-103
Ligand Properties
Formula
C
1
2
H
1
3
ClN
4
Molecular Weight
248.711
Exact Mass
248.083
No. of atoms
30
No. of bonds
31
Polar Surface Area
77.82
LOGP Value
2.59 (
Computed with XLOGP3
)
3.69 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
CCc1nc(N)nc(c1c1ccc(cc1)Cl)N
InChI String
InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P9WNX1
Entrez Gene ID
NCBI Entrez Gene ID:
887777
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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