diff --git "a/1g1e/1g1e_protein_processed_fix.pdb" "b/1g1e/1g1e_protein_processed_fix.pdb" new file mode 100644--- /dev/null +++ "b/1g1e/1g1e_protein_processed_fix.pdb" @@ -0,0 +1,1440 @@ +REMARK 1 CREATED WITH OPENMM 8.0, 2023-02-20 +ATOM 1 N SER A 1 -3.549 11.131 -15.243 1.00 0.00 N +ATOM 2 CA SER A 1 -2.960 11.030 -16.608 1.00 0.00 C +ATOM 3 C SER A 1 -2.153 12.282 -16.964 1.00 0.00 C +ATOM 4 O SER A 1 -2.514 13.034 -17.873 1.00 0.00 O +ATOM 5 CB SER A 1 -4.095 10.807 -17.617 1.00 0.00 C +ATOM 6 OG SER A 1 -5.071 11.833 -17.531 1.00 0.00 O +ATOM 7 HA SER A 1 -2.345 10.281 -16.635 1.00 0.00 H +ATOM 8 HB2 SER A 1 -3.731 10.779 -18.516 1.00 0.00 H +ATOM 9 HB3 SER A 1 -4.512 9.947 -17.453 1.00 0.00 H +ATOM 10 HG SER A 1 -4.888 12.341 -16.887 1.00 0.00 H +ATOM 11 N LEU A 2 -1.053 12.493 -16.241 1.00 0.00 N +ATOM 12 CA LEU A 2 -0.181 13.644 -16.471 1.00 0.00 C +ATOM 13 C LEU A 2 1.202 13.187 -16.938 1.00 0.00 C +ATOM 14 O LEU A 2 1.422 11.998 -17.176 1.00 0.00 O +ATOM 15 CB LEU A 2 -0.058 14.480 -15.190 1.00 0.00 C +ATOM 16 CG LEU A 2 -1.371 15.069 -14.665 1.00 0.00 C +ATOM 17 CD1 LEU A 2 -1.128 15.861 -13.387 1.00 0.00 C +ATOM 18 CD2 LEU A 2 -2.026 15.948 -15.723 1.00 0.00 C +ATOM 19 H LEU A 2 -0.793 11.975 -15.606 1.00 0.00 H +ATOM 20 HA LEU A 2 -0.574 14.193 -17.167 1.00 0.00 H +ATOM 21 HB2 LEU A 2 0.331 13.926 -14.496 1.00 0.00 H +ATOM 22 HB3 LEU A 2 0.563 15.207 -15.354 1.00 0.00 H +ATOM 23 HG LEU A 2 -1.974 14.337 -14.461 1.00 0.00 H +ATOM 24 HD11 LEU A 2 -1.968 16.227 -13.068 1.00 0.00 H +ATOM 25 HD12 LEU A 2 -0.753 15.276 -12.710 1.00 0.00 H +ATOM 26 HD13 LEU A 2 -0.508 16.585 -13.568 1.00 0.00 H +ATOM 27 HD21 LEU A 2 -2.855 16.312 -15.374 1.00 0.00 H +ATOM 28 HD22 LEU A 2 -1.427 16.675 -15.956 1.00 0.00 H +ATOM 29 HD23 LEU A 2 -2.214 15.418 -16.513 1.00 0.00 H +ATOM 30 N GLN A 3 2.133 14.134 -17.068 1.00 0.00 N +ATOM 31 CA GLN A 3 3.491 13.815 -17.504 1.00 0.00 C +ATOM 32 C GLN A 3 4.283 13.155 -16.376 1.00 0.00 C +ATOM 33 O GLN A 3 4.893 13.837 -15.549 1.00 0.00 O +ATOM 34 CB GLN A 3 4.218 15.074 -17.989 1.00 0.00 C +ATOM 35 CG GLN A 3 3.574 15.723 -19.207 1.00 0.00 C +ATOM 36 CD GLN A 3 4.333 16.938 -19.734 1.00 0.00 C +ATOM 37 OE1 GLN A 3 3.902 17.567 -20.700 1.00 0.00 O +ATOM 38 NE2 GLN A 3 5.467 17.280 -19.118 1.00 0.00 N +ATOM 39 H GLN A 3 1.997 14.968 -16.908 1.00 0.00 H +ATOM 40 HA GLN A 3 3.426 13.191 -18.244 1.00 0.00 H +ATOM 41 HB2 GLN A 3 4.247 15.720 -17.266 1.00 0.00 H +ATOM 42 HB3 GLN A 3 5.136 14.846 -18.202 1.00 0.00 H +ATOM 43 HG2 GLN A 3 3.505 15.064 -19.915 1.00 0.00 H +ATOM 44 HG3 GLN A 3 2.670 15.991 -18.980 1.00 0.00 H +ATOM 45 HE21 GLN A 3 5.745 16.823 -18.445 1.00 0.00 H +ATOM 46 HE22 GLN A 3 5.919 17.957 -19.394 1.00 0.00 H +ATOM 47 N ASN A 4 4.271 11.822 -16.352 1.00 0.00 N +ATOM 48 CA ASN A 4 4.992 11.065 -15.331 1.00 0.00 C +ATOM 49 C ASN A 4 6.462 10.901 -15.716 1.00 0.00 C +ATOM 50 O ASN A 4 6.856 11.208 -16.843 1.00 0.00 O +ATOM 51 CB ASN A 4 4.347 9.689 -15.121 1.00 0.00 C +ATOM 52 CG ASN A 4 2.959 9.777 -14.511 1.00 0.00 C +ATOM 53 OD1 ASN A 4 2.048 10.365 -15.093 1.00 0.00 O +ATOM 54 ND2 ASN A 4 2.788 9.191 -13.331 1.00 0.00 N +ATOM 55 H ASN A 4 3.849 11.336 -16.922 1.00 0.00 H +ATOM 56 HA ASN A 4 4.943 11.562 -14.499 1.00 0.00 H +ATOM 57 HB2 ASN A 4 4.293 9.228 -15.973 1.00 0.00 H +ATOM 58 HB3 ASN A 4 4.916 9.154 -14.545 1.00 0.00 H +ATOM 59 HD21 ASN A 4 2.019 9.214 -12.947 1.00 0.00 H +ATOM 60 HD22 ASN A 4 3.446 8.788 -12.951 1.00 0.00 H +ATOM 61 N ASN A 5 7.268 10.418 -14.773 1.00 0.00 N +ATOM 62 CA ASN A 5 8.695 10.216 -15.014 1.00 0.00 C +ATOM 63 C ASN A 5 9.271 9.171 -14.062 1.00 0.00 C +ATOM 64 O ASN A 5 8.840 9.060 -12.913 1.00 0.00 O +ATOM 65 CB ASN A 5 9.453 11.542 -14.868 1.00 0.00 C +ATOM 66 CG ASN A 5 9.293 12.169 -13.492 1.00 0.00 C +ATOM 67 OD1 ASN A 5 9.752 11.622 -12.490 1.00 0.00 O +ATOM 68 ND2 ASN A 5 8.633 13.322 -13.437 1.00 0.00 N +ATOM 69 H ASN A 5 7.007 10.200 -13.983 1.00 0.00 H +ATOM 70 HA ASN A 5 8.803 9.890 -15.921 1.00 0.00 H +ATOM 71 HB2 ASN A 5 10.395 11.391 -15.042 1.00 0.00 H +ATOM 72 HB3 ASN A 5 9.137 12.165 -15.541 1.00 0.00 H +ATOM 73 HD21 ASN A 5 8.514 13.713 -12.681 1.00 0.00 H +ATOM 74 HD22 ASN A 5 8.326 13.676 -14.158 1.00 0.00 H +ATOM 75 N GLN A 6 10.246 8.405 -14.557 1.00 0.00 N +ATOM 76 CA GLN A 6 10.893 7.360 -13.766 1.00 0.00 C +ATOM 77 C GLN A 6 9.869 6.350 -13.242 1.00 0.00 C +ATOM 78 O GLN A 6 9.382 6.471 -12.115 1.00 0.00 O +ATOM 79 CB GLN A 6 11.681 7.973 -12.602 1.00 0.00 C +ATOM 80 CG GLN A 6 12.817 8.882 -13.046 1.00 0.00 C +ATOM 81 CD GLN A 6 13.850 8.159 -13.893 1.00 0.00 C +ATOM 82 OE1 GLN A 6 14.492 7.214 -13.435 1.00 0.00 O +ATOM 83 NE2 GLN A 6 14.012 8.597 -15.137 1.00 0.00 N +ATOM 84 H GLN A 6 10.549 8.478 -15.359 1.00 0.00 H +ATOM 85 HA GLN A 6 11.512 6.889 -14.346 1.00 0.00 H +ATOM 86 HB2 GLN A 6 11.073 8.479 -12.041 1.00 0.00 H +ATOM 87 HB3 GLN A 6 12.044 7.259 -12.055 1.00 0.00 H +ATOM 88 HG2 GLN A 6 12.453 9.625 -13.552 1.00 0.00 H +ATOM 89 HG3 GLN A 6 13.251 9.257 -12.264 1.00 0.00 H +ATOM 90 HE21 GLN A 6 13.546 9.260 -15.423 1.00 0.00 H +ATOM 91 HE22 GLN A 6 14.583 8.217 -15.656 1.00 0.00 H +ATOM 92 N PRO A 7 9.534 5.330 -14.058 1.00 0.00 N +ATOM 93 CA PRO A 7 8.569 4.290 -13.675 1.00 0.00 C +ATOM 94 C PRO A 7 9.122 3.310 -12.632 1.00 0.00 C +ATOM 95 O PRO A 7 8.444 2.350 -12.263 1.00 0.00 O +ATOM 96 CB PRO A 7 8.293 3.567 -14.994 1.00 0.00 C +ATOM 97 CG PRO A 7 9.532 3.759 -15.798 1.00 0.00 C +ATOM 98 CD PRO A 7 10.073 5.110 -15.415 1.00 0.00 C +ATOM 99 HA PRO A 7 7.781 4.671 -13.257 1.00 0.00 H +ATOM 100 HB2 PRO A 7 8.110 2.626 -14.848 1.00 0.00 H +ATOM 101 HB3 PRO A 7 7.519 3.940 -15.445 1.00 0.00 H +ATOM 102 HG2 PRO A 7 10.179 3.061 -15.611 1.00 0.00 H +ATOM 103 HG3 PRO A 7 9.339 3.719 -16.748 1.00 0.00 H +ATOM 104 HD2 PRO A 7 11.043 5.120 -15.419 1.00 0.00 H +ATOM 105 HD3 PRO A 7 9.780 5.799 -16.031 1.00 0.00 H +ATOM 106 N VAL A 8 10.349 3.555 -12.157 1.00 0.00 N +ATOM 107 CA VAL A 8 10.979 2.694 -11.158 1.00 0.00 C +ATOM 108 C VAL A 8 10.172 2.673 -9.859 1.00 0.00 C +ATOM 109 O VAL A 8 10.029 1.624 -9.236 1.00 0.00 O +ATOM 110 CB VAL A 8 12.425 3.145 -10.850 1.00 0.00 C +ATOM 111 CG1 VAL A 8 13.075 2.218 -9.832 1.00 0.00 C +ATOM 112 CG2 VAL A 8 13.254 3.207 -12.126 1.00 0.00 C +ATOM 113 H VAL A 8 10.833 4.221 -12.405 1.00 0.00 H +ATOM 114 HA VAL A 8 11.003 1.800 -11.534 1.00 0.00 H +ATOM 115 HB VAL A 8 12.388 4.036 -10.468 1.00 0.00 H +ATOM 116 HG11 VAL A 8 13.980 2.518 -9.653 1.00 0.00 H +ATOM 117 HG12 VAL A 8 12.562 2.230 -9.009 1.00 0.00 H +ATOM 118 HG13 VAL A 8 13.098 1.315 -10.185 1.00 0.00 H +ATOM 119 HG21 VAL A 8 14.156 3.491 -11.912 1.00 0.00 H +ATOM 120 HG22 VAL A 8 13.281 2.329 -12.538 1.00 0.00 H +ATOM 121 HG23 VAL A 8 12.853 3.840 -12.742 1.00 0.00 H +ATOM 122 N GLU A 9 9.640 3.833 -9.461 1.00 0.00 N +ATOM 123 CA GLU A 9 8.842 3.936 -8.238 1.00 0.00 C +ATOM 124 C GLU A 9 7.586 3.071 -8.334 1.00 0.00 C +ATOM 125 O GLU A 9 7.309 2.264 -7.444 1.00 0.00 O +ATOM 126 CB GLU A 9 8.452 5.392 -7.973 1.00 0.00 C +ATOM 127 CG GLU A 9 9.643 6.306 -7.738 1.00 0.00 C +ATOM 128 CD GLU A 9 9.236 7.747 -7.491 1.00 0.00 C +ATOM 129 OE1 GLU A 9 8.627 8.357 -8.396 1.00 0.00 O +ATOM 130 OE2 GLU A 9 9.524 8.265 -6.392 1.00 0.00 O +ATOM 131 H GLU A 9 9.731 4.574 -9.888 1.00 0.00 H +ATOM 132 HA GLU A 9 9.383 3.615 -7.500 1.00 0.00 H +ATOM 133 HB2 GLU A 9 7.942 5.725 -8.728 1.00 0.00 H +ATOM 134 HB3 GLU A 9 7.869 5.427 -7.199 1.00 0.00 H +ATOM 135 HG2 GLU A 9 10.149 5.982 -6.977 1.00 0.00 H +ATOM 136 HG3 GLU A 9 10.232 6.268 -8.508 1.00 0.00 H +ATOM 137 N PHE A 10 6.838 3.241 -9.426 1.00 0.00 N +ATOM 138 CA PHE A 10 5.616 2.473 -9.655 1.00 0.00 C +ATOM 139 C PHE A 10 5.939 0.985 -9.795 1.00 0.00 C +ATOM 140 O PHE A 10 5.400 0.155 -9.064 1.00 0.00 O +ATOM 141 CB PHE A 10 4.903 2.984 -10.915 1.00 0.00 C +ATOM 142 CG PHE A 10 3.627 2.255 -11.244 1.00 0.00 C +ATOM 143 CD1 PHE A 10 2.548 2.283 -10.375 1.00 0.00 C +ATOM 144 CD2 PHE A 10 3.508 1.546 -12.429 1.00 0.00 C +ATOM 145 CE1 PHE A 10 1.376 1.618 -10.681 1.00 0.00 C +ATOM 146 CE2 PHE A 10 2.339 0.878 -12.739 1.00 0.00 C +ATOM 147 CZ PHE A 10 1.271 0.914 -11.864 1.00 0.00 C +ATOM 148 H PHE A 10 7.025 3.802 -10.051 1.00 0.00 H +ATOM 149 HA PHE A 10 5.028 2.589 -8.893 1.00 0.00 H +ATOM 150 HB2 PHE A 10 4.704 3.927 -10.802 1.00 0.00 H +ATOM 151 HB3 PHE A 10 5.509 2.910 -11.669 1.00 0.00 H +ATOM 152 HD1 PHE A 10 2.613 2.755 -9.576 1.00 0.00 H +ATOM 153 HD2 PHE A 10 4.224 1.520 -13.022 1.00 0.00 H +ATOM 154 HE1 PHE A 10 0.658 1.645 -10.090 1.00 0.00 H +ATOM 155 HE2 PHE A 10 2.271 0.404 -13.536 1.00 0.00 H +ATOM 156 HZ PHE A 10 0.483 0.465 -12.071 1.00 0.00 H +ATOM 157 N ASN A 11 6.831 0.664 -10.734 1.00 0.00 N +ATOM 158 CA ASN A 11 7.243 -0.719 -10.980 1.00 0.00 C +ATOM 159 C ASN A 11 7.787 -1.381 -9.707 1.00 0.00 C +ATOM 160 O ASN A 11 7.593 -2.579 -9.497 1.00 0.00 O +ATOM 161 CB ASN A 11 8.301 -0.759 -12.089 1.00 0.00 C +ATOM 162 CG ASN A 11 8.676 -2.173 -12.491 1.00 0.00 C +ATOM 163 OD1 ASN A 11 7.832 -2.945 -12.945 1.00 0.00 O +ATOM 164 ND2 ASN A 11 9.948 -2.521 -12.328 1.00 0.00 N +ATOM 165 H ASN A 11 7.213 1.241 -11.245 1.00 0.00 H +ATOM 166 HA ASN A 11 6.461 -1.219 -11.261 1.00 0.00 H +ATOM 167 HB2 ASN A 11 7.968 -0.284 -12.866 1.00 0.00 H +ATOM 168 HB3 ASN A 11 9.096 -0.291 -11.789 1.00 0.00 H +ATOM 169 HD21 ASN A 11 10.208 -3.312 -12.543 1.00 0.00 H +ATOM 170 HD22 ASN A 11 10.511 -1.955 -12.008 1.00 0.00 H +ATOM 171 N HIS A 12 8.463 -0.594 -8.862 1.00 0.00 N +ATOM 172 CA HIS A 12 9.028 -1.104 -7.610 1.00 0.00 C +ATOM 173 C HIS A 12 7.929 -1.679 -6.718 1.00 0.00 C +ATOM 174 O HIS A 12 7.980 -2.850 -6.337 1.00 0.00 O +ATOM 175 CB HIS A 12 9.782 0.011 -6.873 1.00 0.00 C +ATOM 176 CG HIS A 12 10.451 -0.424 -5.604 1.00 0.00 C +ATOM 177 ND1 HIS A 12 11.083 0.458 -4.753 1.00 0.00 N +ATOM 178 CD2 HIS A 12 10.594 -1.650 -5.042 1.00 0.00 C +ATOM 179 CE1 HIS A 12 11.584 -0.203 -3.726 1.00 0.00 C +ATOM 180 NE2 HIS A 12 11.301 -1.483 -3.876 1.00 0.00 N +ATOM 181 H HIS A 12 8.605 0.243 -8.998 1.00 0.00 H +ATOM 182 HA HIS A 12 9.653 -1.815 -7.823 1.00 0.00 H +ATOM 183 HB2 HIS A 12 10.453 0.381 -7.468 1.00 0.00 H +ATOM 184 HB3 HIS A 12 9.159 0.726 -6.668 1.00 0.00 H +ATOM 185 HD1 HIS A 12 11.142 1.308 -4.873 1.00 0.00 H +ATOM 186 HD2 HIS A 12 10.273 -2.454 -5.382 1.00 0.00 H +ATOM 187 HE1 HIS A 12 12.056 0.170 -3.017 1.00 0.00 H +ATOM 188 HE2 HIS A 12 11.523 -2.111 -3.332 1.00 0.00 H +ATOM 189 N ALA A 13 6.927 -0.854 -6.403 1.00 0.00 N +ATOM 190 CA ALA A 13 5.806 -1.291 -5.573 1.00 0.00 C +ATOM 191 C ALA A 13 5.038 -2.408 -6.267 1.00 0.00 C +ATOM 192 O ALA A 13 4.648 -3.389 -5.638 1.00 0.00 O +ATOM 193 CB ALA A 13 4.877 -0.127 -5.268 1.00 0.00 C +ATOM 194 H ALA A 13 6.880 -0.035 -6.662 1.00 0.00 H +ATOM 195 HA ALA A 13 6.161 -1.628 -4.735 1.00 0.00 H +ATOM 196 HB1 ALA A 13 4.141 -0.436 -4.717 1.00 0.00 H +ATOM 197 HB2 ALA A 13 5.367 0.563 -4.794 1.00 0.00 H +ATOM 198 HB3 ALA A 13 4.529 0.236 -6.098 1.00 0.00 H +ATOM 199 N ILE A 14 4.847 -2.249 -7.575 1.00 0.00 N +ATOM 200 CA ILE A 14 4.151 -3.227 -8.397 1.00 0.00 C +ATOM 201 C ILE A 14 4.736 -4.623 -8.216 1.00 0.00 C +ATOM 202 O ILE A 14 4.056 -5.531 -7.736 1.00 0.00 O +ATOM 203 CB ILE A 14 4.230 -2.798 -9.879 1.00 0.00 C +ATOM 204 CG1 ILE A 14 3.038 -1.918 -10.245 1.00 0.00 C +ATOM 205 CG2 ILE A 14 4.312 -3.997 -10.795 1.00 0.00 C +ATOM 206 CD1 ILE A 14 2.679 -0.915 -9.177 1.00 0.00 C +ATOM 207 H ILE A 14 5.122 -1.561 -8.012 1.00 0.00 H +ATOM 208 HA ILE A 14 3.223 -3.262 -8.117 1.00 0.00 H +ATOM 209 HB ILE A 14 5.042 -2.281 -9.997 1.00 0.00 H +ATOM 210 HG12 ILE A 14 3.235 -1.446 -11.069 1.00 0.00 H +ATOM 211 HG13 ILE A 14 2.269 -2.483 -10.419 1.00 0.00 H +ATOM 212 HG21 ILE A 14 4.360 -3.698 -11.716 1.00 0.00 H +ATOM 213 HG22 ILE A 14 5.104 -4.514 -10.581 1.00 0.00 H +ATOM 214 HG23 ILE A 14 3.524 -4.550 -10.676 1.00 0.00 H +ATOM 215 HD11 ILE A 14 1.918 -0.390 -9.469 1.00 0.00 H +ATOM 216 HD12 ILE A 14 2.454 -1.382 -8.357 1.00 0.00 H +ATOM 217 HD13 ILE A 14 3.434 -0.328 -9.017 1.00 0.00 H +ATOM 218 N ASN A 15 6.001 -4.780 -8.591 1.00 0.00 N +ATOM 219 CA ASN A 15 6.682 -6.058 -8.458 1.00 0.00 C +ATOM 220 C ASN A 15 6.720 -6.497 -6.993 1.00 0.00 C +ATOM 221 O ASN A 15 6.692 -7.693 -6.697 1.00 0.00 O +ATOM 222 CB ASN A 15 8.084 -5.961 -9.051 1.00 0.00 C +ATOM 223 CG ASN A 15 8.094 -6.198 -10.549 1.00 0.00 C +ATOM 224 OD1 ASN A 15 7.702 -7.265 -11.023 1.00 0.00 O +ATOM 225 ND2 ASN A 15 8.543 -5.203 -11.305 1.00 0.00 N +ATOM 226 H ASN A 15 6.484 -4.153 -8.927 1.00 0.00 H +ATOM 227 HA ASN A 15 6.191 -6.734 -8.951 1.00 0.00 H +ATOM 228 HB2 ASN A 15 8.453 -5.084 -8.862 1.00 0.00 H +ATOM 229 HB3 ASN A 15 8.661 -6.610 -8.619 1.00 0.00 H +ATOM 230 HD21 ASN A 15 8.568 -5.290 -12.160 1.00 0.00 H +ATOM 231 HD22 ASN A 15 8.809 -4.471 -10.939 1.00 0.00 H +ATOM 232 N TYR A 16 6.739 -5.521 -6.078 1.00 0.00 N +ATOM 233 CA TYR A 16 6.726 -5.813 -4.648 1.00 0.00 C +ATOM 234 C TYR A 16 5.396 -6.465 -4.266 1.00 0.00 C +ATOM 235 O TYR A 16 5.370 -7.438 -3.510 1.00 0.00 O +ATOM 236 CB TYR A 16 6.955 -4.536 -3.828 1.00 0.00 C +ATOM 237 CG TYR A 16 6.620 -4.686 -2.360 1.00 0.00 C +ATOM 238 CD1 TYR A 16 7.213 -5.676 -1.587 1.00 0.00 C +ATOM 239 CD2 TYR A 16 5.700 -3.842 -1.752 1.00 0.00 C +ATOM 240 CE1 TYR A 16 6.898 -5.821 -0.250 1.00 0.00 C +ATOM 241 CE2 TYR A 16 5.383 -3.977 -0.416 1.00 0.00 C +ATOM 242 CZ TYR A 16 5.983 -4.969 0.331 1.00 0.00 C +ATOM 243 OH TYR A 16 5.664 -5.115 1.663 1.00 0.00 O +ATOM 244 H TYR A 16 6.760 -4.683 -6.270 1.00 0.00 H +ATOM 245 HA TYR A 16 7.449 -6.429 -4.449 1.00 0.00 H +ATOM 246 HB2 TYR A 16 7.883 -4.269 -3.914 1.00 0.00 H +ATOM 247 HB3 TYR A 16 6.418 -3.820 -4.202 1.00 0.00 H +ATOM 248 HD1 TYR A 16 7.832 -6.251 -1.976 1.00 0.00 H +ATOM 249 HD2 TYR A 16 5.291 -3.175 -2.254 1.00 0.00 H +ATOM 250 HE1 TYR A 16 7.301 -6.490 0.255 1.00 0.00 H +ATOM 251 HE2 TYR A 16 4.768 -3.402 -0.021 1.00 0.00 H +ATOM 252 HH TYR A 16 5.726 -5.924 1.879 1.00 0.00 H +ATOM 253 N VAL A 17 4.293 -5.940 -4.819 1.00 0.00 N +ATOM 254 CA VAL A 17 2.966 -6.496 -4.557 1.00 0.00 C +ATOM 255 C VAL A 17 2.928 -7.960 -4.993 1.00 0.00 C +ATOM 256 O VAL A 17 2.259 -8.778 -4.368 1.00 0.00 O +ATOM 257 CB VAL A 17 1.841 -5.733 -5.296 1.00 0.00 C +ATOM 258 CG1 VAL A 17 0.472 -6.244 -4.878 1.00 0.00 C +ATOM 259 CG2 VAL A 17 1.920 -4.241 -5.061 1.00 0.00 C +ATOM 260 H VAL A 17 4.297 -5.262 -5.348 1.00 0.00 H +ATOM 261 HA VAL A 17 2.809 -6.410 -3.604 1.00 0.00 H +ATOM 262 HB VAL A 17 1.968 -5.897 -6.244 1.00 0.00 H +ATOM 263 HG11 VAL A 17 -0.216 -5.752 -5.353 1.00 0.00 H +ATOM 264 HG12 VAL A 17 0.400 -7.188 -5.091 1.00 0.00 H +ATOM 265 HG13 VAL A 17 0.357 -6.119 -3.923 1.00 0.00 H +ATOM 266 HG21 VAL A 17 1.201 -3.799 -5.539 1.00 0.00 H +ATOM 267 HG22 VAL A 17 1.837 -4.058 -4.112 1.00 0.00 H +ATOM 268 HG23 VAL A 17 2.773 -3.908 -5.381 1.00 0.00 H +ATOM 269 N ASN A 18 3.668 -8.282 -6.066 1.00 0.00 N +ATOM 270 CA ASN A 18 3.735 -9.652 -6.571 1.00 0.00 C +ATOM 271 C ASN A 18 4.281 -10.579 -5.487 1.00 0.00 C +ATOM 272 O ASN A 18 3.703 -11.630 -5.218 1.00 0.00 O +ATOM 273 CB ASN A 18 4.610 -9.729 -7.827 1.00 0.00 C +ATOM 274 CG ASN A 18 4.645 -11.123 -8.427 1.00 0.00 C +ATOM 275 OD1 ASN A 18 3.616 -11.660 -8.836 1.00 0.00 O +ATOM 276 ND2 ASN A 18 5.831 -11.720 -8.478 1.00 0.00 N +ATOM 277 H ASN A 18 4.137 -7.716 -6.512 1.00 0.00 H +ATOM 278 HA ASN A 18 2.839 -9.936 -6.810 1.00 0.00 H +ATOM 279 HB2 ASN A 18 4.276 -9.104 -8.489 1.00 0.00 H +ATOM 280 HB3 ASN A 18 5.513 -9.453 -7.606 1.00 0.00 H +ATOM 281 HD21 ASN A 18 5.900 -12.512 -8.806 1.00 0.00 H +ATOM 282 HD22 ASN A 18 6.530 -11.314 -8.183 1.00 0.00 H +ATOM 283 N LYS A 19 5.379 -10.160 -4.843 1.00 0.00 N +ATOM 284 CA LYS A 19 5.978 -10.935 -3.753 1.00 0.00 C +ATOM 285 C LYS A 19 4.919 -11.252 -2.713 1.00 0.00 C +ATOM 286 O LYS A 19 4.766 -12.389 -2.275 1.00 0.00 O +ATOM 287 CB LYS A 19 7.097 -10.140 -3.071 1.00 0.00 C +ATOM 288 CG LYS A 19 8.308 -9.891 -3.947 1.00 0.00 C +ATOM 289 CD LYS A 19 9.330 -8.992 -3.265 1.00 0.00 C +ATOM 290 CE LYS A 19 10.174 -9.762 -2.259 1.00 0.00 C +ATOM 291 NZ LYS A 19 11.106 -8.870 -1.514 1.00 0.00 N +ATOM 292 H LYS A 19 5.791 -9.427 -5.025 1.00 0.00 H +ATOM 293 HA LYS A 19 6.344 -11.751 -4.129 1.00 0.00 H +ATOM 294 HB2 LYS A 19 6.741 -9.286 -2.779 1.00 0.00 H +ATOM 295 HB3 LYS A 19 7.379 -10.617 -2.275 1.00 0.00 H +ATOM 296 HG2 LYS A 19 8.723 -10.738 -4.172 1.00 0.00 H +ATOM 297 HG3 LYS A 19 8.025 -9.483 -4.780 1.00 0.00 H +ATOM 298 HD2 LYS A 19 9.908 -8.593 -3.934 1.00 0.00 H +ATOM 299 HD3 LYS A 19 8.872 -8.265 -2.815 1.00 0.00 H +ATOM 300 HE2 LYS A 19 9.592 -10.217 -1.631 1.00 0.00 H +ATOM 301 HE3 LYS A 19 10.683 -10.446 -2.721 1.00 0.00 H +ATOM 302 HZ1 LYS A 19 11.900 -9.265 -1.440 1.00 0.00 H +ATOM 303 HZ2 LYS A 19 11.198 -8.102 -1.954 1.00 0.00 H +ATOM 304 HZ3 LYS A 19 10.778 -8.709 -0.702 1.00 0.00 H +ATOM 305 N ILE A 20 4.197 -10.207 -2.335 1.00 0.00 N +ATOM 306 CA ILE A 20 3.132 -10.284 -1.353 1.00 0.00 C +ATOM 307 C ILE A 20 1.985 -11.165 -1.839 1.00 0.00 C +ATOM 308 O ILE A 20 1.615 -12.133 -1.177 1.00 0.00 O +ATOM 309 CB ILE A 20 2.647 -8.855 -1.048 1.00 0.00 C +ATOM 310 CG1 ILE A 20 3.754 -8.123 -0.297 1.00 0.00 C +ATOM 311 CG2 ILE A 20 1.346 -8.843 -0.264 1.00 0.00 C +ATOM 312 CD1 ILE A 20 3.460 -6.674 -0.034 1.00 0.00 C +ATOM 313 H ILE A 20 4.317 -9.416 -2.651 1.00 0.00 H +ATOM 314 HA ILE A 20 3.470 -10.695 -0.542 1.00 0.00 H +ATOM 315 HB ILE A 20 2.457 -8.401 -1.884 1.00 0.00 H +ATOM 316 HG12 ILE A 20 3.908 -8.571 0.549 1.00 0.00 H +ATOM 317 HG13 ILE A 20 4.576 -8.189 -0.807 1.00 0.00 H +ATOM 318 HG21 ILE A 20 1.078 -7.926 -0.095 1.00 0.00 H +ATOM 319 HG22 ILE A 20 0.655 -9.292 -0.776 1.00 0.00 H +ATOM 320 HG23 ILE A 20 1.472 -9.304 0.580 1.00 0.00 H +ATOM 321 HD11 ILE A 20 4.203 -6.274 0.444 1.00 0.00 H +ATOM 322 HD12 ILE A 20 3.332 -6.211 -0.877 1.00 0.00 H +ATOM 323 HD13 ILE A 20 2.654 -6.599 0.501 1.00 0.00 H +ATOM 324 N LYS A 21 1.444 -10.834 -3.005 1.00 0.00 N +ATOM 325 CA LYS A 21 0.354 -11.599 -3.599 1.00 0.00 C +ATOM 326 C LYS A 21 0.726 -13.082 -3.696 1.00 0.00 C +ATOM 327 O LYS A 21 -0.069 -13.956 -3.346 1.00 0.00 O +ATOM 328 CB LYS A 21 0.027 -11.031 -4.983 1.00 0.00 C +ATOM 329 CG LYS A 21 -1.085 -11.751 -5.706 1.00 0.00 C +ATOM 330 CD LYS A 21 -1.495 -10.976 -6.941 1.00 0.00 C +ATOM 331 CE LYS A 21 -2.612 -11.674 -7.688 1.00 0.00 C +ATOM 332 NZ LYS A 21 -3.871 -11.743 -6.890 1.00 0.00 N +ATOM 333 H LYS A 21 1.698 -10.160 -3.475 1.00 0.00 H +ATOM 334 HA LYS A 21 -0.431 -11.526 -3.034 1.00 0.00 H +ATOM 335 HB2 LYS A 21 -0.216 -10.097 -4.888 1.00 0.00 H +ATOM 336 HB3 LYS A 21 0.827 -11.062 -5.530 1.00 0.00 H +ATOM 337 HG2 LYS A 21 -0.793 -12.641 -5.957 1.00 0.00 H +ATOM 338 HG3 LYS A 21 -1.847 -11.858 -5.116 1.00 0.00 H +ATOM 339 HD2 LYS A 21 -1.782 -10.086 -6.685 1.00 0.00 H +ATOM 340 HD3 LYS A 21 -0.729 -10.870 -7.527 1.00 0.00 H +ATOM 341 HE2 LYS A 21 -2.784 -11.205 -8.520 1.00 0.00 H +ATOM 342 HE3 LYS A 21 -2.330 -12.572 -7.922 1.00 0.00 H +ATOM 343 HZ1 LYS A 21 -4.565 -11.549 -7.413 1.00 0.00 H +ATOM 344 HZ2 LYS A 21 -3.969 -12.564 -6.560 1.00 0.00 H +ATOM 345 HZ3 LYS A 21 -3.831 -11.157 -6.221 1.00 0.00 H +ATOM 346 N ASN A 22 1.948 -13.348 -4.164 1.00 0.00 N +ATOM 347 CA ASN A 22 2.454 -14.714 -4.303 1.00 0.00 C +ATOM 348 C ASN A 22 2.697 -15.359 -2.937 1.00 0.00 C +ATOM 349 O ASN A 22 2.233 -16.471 -2.680 1.00 0.00 O +ATOM 350 CB ASN A 22 3.751 -14.719 -5.124 1.00 0.00 C +ATOM 351 CG ASN A 22 3.559 -14.343 -6.593 1.00 0.00 C +ATOM 352 OD1 ASN A 22 4.532 -14.260 -7.341 1.00 0.00 O +ATOM 353 ND2 ASN A 22 2.316 -14.120 -7.025 1.00 0.00 N +ATOM 354 H ASN A 22 2.506 -12.741 -4.409 1.00 0.00 H +ATOM 355 HA ASN A 22 1.780 -15.235 -4.767 1.00 0.00 H +ATOM 356 HB2 ASN A 22 4.380 -14.100 -4.721 1.00 0.00 H +ATOM 357 HB3 ASN A 22 4.150 -15.602 -5.075 1.00 0.00 H +ATOM 358 HD21 ASN A 22 2.178 -13.911 -7.848 1.00 0.00 H +ATOM 359 HD22 ASN A 22 1.653 -14.185 -6.481 1.00 0.00 H +ATOM 360 N ARG A 23 3.427 -14.655 -2.065 1.00 0.00 N +ATOM 361 CA ARG A 23 3.733 -15.157 -0.723 1.00 0.00 C +ATOM 362 C ARG A 23 2.449 -15.490 0.036 1.00 0.00 C +ATOM 363 O ARG A 23 2.365 -16.519 0.707 1.00 0.00 O +ATOM 364 CB ARG A 23 4.558 -14.130 0.062 1.00 0.00 C +ATOM 365 CG ARG A 23 5.066 -14.641 1.403 1.00 0.00 C +ATOM 366 CD ARG A 23 5.988 -15.841 1.230 1.00 0.00 C +ATOM 367 NE ARG A 23 6.528 -16.313 2.506 1.00 0.00 N +ATOM 368 CZ ARG A 23 7.350 -17.360 2.627 1.00 0.00 C +ATOM 369 NH1 ARG A 23 7.725 -18.053 1.555 1.00 0.00 N +ATOM 370 NH2 ARG A 23 7.798 -17.714 3.826 1.00 0.00 N +ATOM 371 H ARG A 23 3.756 -13.879 -2.235 1.00 0.00 H +ATOM 372 HA ARG A 23 4.255 -15.969 -0.818 1.00 0.00 H +ATOM 373 HB2 ARG A 23 5.316 -13.857 -0.478 1.00 0.00 H +ATOM 374 HB3 ARG A 23 4.016 -13.339 0.211 1.00 0.00 H +ATOM 375 HG2 ARG A 23 5.540 -13.931 1.863 1.00 0.00 H +ATOM 376 HG3 ARG A 23 4.313 -14.888 1.963 1.00 0.00 H +ATOM 377 HD2 ARG A 23 5.501 -16.562 0.801 1.00 0.00 H +ATOM 378 HD3 ARG A 23 6.720 -15.602 0.640 1.00 0.00 H +ATOM 379 HE ARG A 23 6.303 -15.891 3.221 1.00 0.00 H +ATOM 380 HH11 ARG A 23 7.438 -17.829 0.776 1.00 0.00 H +ATOM 381 HH12 ARG A 23 8.254 -18.725 1.641 1.00 0.00 H +ATOM 382 HH21 ARG A 23 7.559 -17.270 4.523 1.00 0.00 H +ATOM 383 HH22 ARG A 23 8.327 -18.387 3.906 1.00 0.00 H +ATOM 384 N PHE A 24 1.445 -14.619 -0.093 1.00 0.00 N +ATOM 385 CA PHE A 24 0.156 -14.827 0.562 1.00 0.00 C +ATOM 386 C PHE A 24 -0.843 -15.417 -0.438 1.00 0.00 C +ATOM 387 O PHE A 24 -2.017 -15.040 -0.457 1.00 0.00 O +ATOM 388 CB PHE A 24 -0.373 -13.505 1.146 1.00 0.00 C +ATOM 389 CG PHE A 24 0.676 -12.702 1.856 1.00 0.00 C +ATOM 390 CD1 PHE A 24 1.382 -13.236 2.918 1.00 0.00 C +ATOM 391 CD2 PHE A 24 0.958 -11.415 1.453 1.00 0.00 C +ATOM 392 CE1 PHE A 24 2.355 -12.493 3.561 1.00 0.00 C +ATOM 393 CE2 PHE A 24 1.925 -10.669 2.091 1.00 0.00 C +ATOM 394 CZ PHE A 24 2.626 -11.205 3.143 1.00 0.00 C +ATOM 395 H PHE A 24 1.493 -13.898 -0.559 1.00 0.00 H +ATOM 396 HA PHE A 24 0.271 -15.452 1.295 1.00 0.00 H +ATOM 397 HB2 PHE A 24 -0.749 -12.971 0.429 1.00 0.00 H +ATOM 398 HB3 PHE A 24 -1.095 -13.699 1.764 1.00 0.00 H +ATOM 399 HD1 PHE A 24 1.201 -14.103 3.202 1.00 0.00 H +ATOM 400 HD2 PHE A 24 0.489 -11.045 0.740 1.00 0.00 H +ATOM 401 HE1 PHE A 24 2.826 -12.860 4.274 1.00 0.00 H +ATOM 402 HE2 PHE A 24 2.103 -9.801 1.809 1.00 0.00 H +ATOM 403 HZ PHE A 24 3.281 -10.703 3.572 1.00 0.00 H +ATOM 404 N GLN A 25 -0.353 -16.344 -1.275 1.00 0.00 N +ATOM 405 CA GLN A 25 -1.172 -17.003 -2.294 1.00 0.00 C +ATOM 406 C GLN A 25 -2.492 -17.494 -1.704 1.00 0.00 C +ATOM 407 O GLN A 25 -3.566 -17.186 -2.222 1.00 0.00 O +ATOM 408 CB GLN A 25 -0.405 -18.179 -2.907 1.00 0.00 C +ATOM 409 CG GLN A 25 -0.521 -18.263 -4.420 1.00 0.00 C +ATOM 410 CD GLN A 25 -1.959 -18.350 -4.899 1.00 0.00 C +ATOM 411 OE1 GLN A 25 -2.683 -19.285 -4.558 1.00 0.00 O +ATOM 412 NE2 GLN A 25 -2.381 -17.371 -5.692 1.00 0.00 N +ATOM 413 H GLN A 25 0.466 -16.606 -1.264 1.00 0.00 H +ATOM 414 HA GLN A 25 -1.371 -16.354 -2.987 1.00 0.00 H +ATOM 415 HB2 GLN A 25 0.532 -18.104 -2.666 1.00 0.00 H +ATOM 416 HB3 GLN A 25 -0.733 -19.006 -2.519 1.00 0.00 H +ATOM 417 HG2 GLN A 25 -0.100 -17.484 -4.816 1.00 0.00 H +ATOM 418 HG3 GLN A 25 -0.033 -19.040 -4.734 1.00 0.00 H +ATOM 419 HE21 GLN A 25 -1.847 -16.733 -5.910 1.00 0.00 H +ATOM 420 HE22 GLN A 25 -3.189 -17.375 -5.988 1.00 0.00 H +ATOM 421 N GLY A 26 -2.399 -18.246 -0.603 1.00 0.00 N +ATOM 422 CA GLY A 26 -3.586 -18.754 0.059 1.00 0.00 C +ATOM 423 C GLY A 26 -3.978 -17.893 1.244 1.00 0.00 C +ATOM 424 O GLY A 26 -4.480 -18.399 2.249 1.00 0.00 O +ATOM 425 H GLY A 26 -1.657 -18.469 -0.230 1.00 0.00 H +ATOM 426 HA2 GLY A 26 -4.320 -18.788 -0.574 1.00 0.00 H +ATOM 427 HA3 GLY A 26 -3.427 -19.663 0.358 1.00 0.00 H +ATOM 428 N GLN A 27 -3.738 -16.586 1.123 1.00 0.00 N +ATOM 429 CA GLN A 27 -4.050 -15.639 2.181 1.00 0.00 C +ATOM 430 C GLN A 27 -4.799 -14.431 1.630 1.00 0.00 C +ATOM 431 O GLN A 27 -4.267 -13.318 1.600 1.00 0.00 O +ATOM 432 CB GLN A 27 -2.766 -15.166 2.860 1.00 0.00 C +ATOM 433 CG GLN A 27 -2.100 -16.197 3.748 1.00 0.00 C +ATOM 434 CD GLN A 27 -2.980 -16.703 4.888 1.00 0.00 C +ATOM 435 OE1 GLN A 27 -2.679 -17.729 5.497 1.00 0.00 O +ATOM 436 NE2 GLN A 27 -4.052 -15.978 5.212 1.00 0.00 N +ATOM 437 H GLN A 27 -3.389 -16.228 0.423 1.00 0.00 H +ATOM 438 HA GLN A 27 -4.615 -16.091 2.827 1.00 0.00 H +ATOM 439 HB2 GLN A 27 -2.136 -14.891 2.176 1.00 0.00 H +ATOM 440 HB3 GLN A 27 -2.967 -14.381 3.392 1.00 0.00 H +ATOM 441 HG2 GLN A 27 -1.829 -16.952 3.203 1.00 0.00 H +ATOM 442 HG3 GLN A 27 -1.292 -15.813 4.123 1.00 0.00 H +ATOM 443 HE21 GLN A 27 -4.239 -15.265 4.769 1.00 0.00 H +ATOM 444 HE22 GLN A 27 -4.556 -16.224 5.864 1.00 0.00 H +ATOM 445 N PRO A 28 -6.058 -14.626 1.204 1.00 0.00 N +ATOM 446 CA PRO A 28 -6.881 -13.534 0.683 1.00 0.00 C +ATOM 447 C PRO A 28 -7.082 -12.441 1.732 1.00 0.00 C +ATOM 448 O PRO A 28 -7.328 -11.284 1.394 1.00 0.00 O +ATOM 449 CB PRO A 28 -8.216 -14.209 0.339 1.00 0.00 C +ATOM 450 CG PRO A 28 -8.220 -15.483 1.114 1.00 0.00 C +ATOM 451 CD PRO A 28 -6.784 -15.907 1.222 1.00 0.00 C +ATOM 452 HA PRO A 28 -6.472 -13.095 -0.079 1.00 0.00 H +ATOM 453 HB2 PRO A 28 -8.967 -13.647 0.585 1.00 0.00 H +ATOM 454 HB3 PRO A 28 -8.288 -14.378 -0.613 1.00 0.00 H +ATOM 455 HG2 PRO A 28 -8.611 -15.354 1.992 1.00 0.00 H +ATOM 456 HG3 PRO A 28 -8.749 -16.161 0.665 1.00 0.00 H +ATOM 457 HD2 PRO A 28 -6.617 -16.403 2.038 1.00 0.00 H +ATOM 458 HD3 PRO A 28 -6.522 -16.479 0.484 1.00 0.00 H +ATOM 459 N ASP A 29 -6.957 -12.821 3.011 1.00 0.00 N +ATOM 460 CA ASP A 29 -7.104 -11.884 4.116 1.00 0.00 C +ATOM 461 C ASP A 29 -5.943 -10.896 4.153 1.00 0.00 C +ATOM 462 O ASP A 29 -6.130 -9.729 4.486 1.00 0.00 O +ATOM 463 CB ASP A 29 -7.195 -12.636 5.448 1.00 0.00 C +ATOM 464 CG ASP A 29 -8.374 -13.591 5.499 1.00 0.00 C +ATOM 465 OD1 ASP A 29 -9.527 -13.119 5.404 1.00 0.00 O +ATOM 466 OD2 ASP A 29 -8.143 -14.811 5.629 1.00 0.00 O +ATOM 467 H ASP A 29 -6.785 -13.628 3.254 1.00 0.00 H +ATOM 468 HA ASP A 29 -7.925 -11.387 3.978 1.00 0.00 H +ATOM 469 HB2 ASP A 29 -6.374 -13.133 5.592 1.00 0.00 H +ATOM 470 HB3 ASP A 29 -7.270 -11.996 6.173 1.00 0.00 H +ATOM 471 N ILE A 30 -4.741 -11.373 3.814 1.00 0.00 N +ATOM 472 CA ILE A 30 -3.551 -10.531 3.817 1.00 0.00 C +ATOM 473 C ILE A 30 -3.562 -9.555 2.658 1.00 0.00 C +ATOM 474 O ILE A 30 -3.368 -8.355 2.841 1.00 0.00 O +ATOM 475 CB ILE A 30 -2.271 -11.359 3.713 1.00 0.00 C +ATOM 476 CG1 ILE A 30 -2.222 -12.381 4.845 1.00 0.00 C +ATOM 477 CG2 ILE A 30 -1.057 -10.430 3.729 1.00 0.00 C +ATOM 478 CD1 ILE A 30 -1.014 -13.266 4.772 1.00 0.00 C +ATOM 479 H ILE A 30 -4.598 -12.188 3.578 1.00 0.00 H +ATOM 480 HA ILE A 30 -3.565 -10.051 4.660 1.00 0.00 H +ATOM 481 HB ILE A 30 -2.259 -11.849 2.876 1.00 0.00 H +ATOM 482 HG12 ILE A 30 -2.227 -11.916 5.696 1.00 0.00 H +ATOM 483 HG13 ILE A 30 -3.022 -12.929 4.816 1.00 0.00 H +ATOM 484 HG21 ILE A 30 -0.245 -10.957 3.663 1.00 0.00 H +ATOM 485 HG22 ILE A 30 -1.107 -9.819 2.978 1.00 0.00 H +ATOM 486 HG23 ILE A 30 -1.047 -9.924 4.557 1.00 0.00 H +ATOM 487 HD11 ILE A 30 -1.029 -13.895 5.510 1.00 0.00 H +ATOM 488 HD12 ILE A 30 -1.019 -13.752 3.933 1.00 0.00 H +ATOM 489 HD13 ILE A 30 -0.212 -12.724 4.826 1.00 0.00 H +ATOM 490 N TYR A 31 -3.770 -10.091 1.464 1.00 0.00 N +ATOM 491 CA TYR A 31 -3.785 -9.277 0.256 1.00 0.00 C +ATOM 492 C TYR A 31 -4.894 -8.229 0.340 1.00 0.00 C +ATOM 493 O TYR A 31 -4.648 -7.043 0.115 1.00 0.00 O +ATOM 494 CB TYR A 31 -3.982 -10.169 -0.971 1.00 0.00 C +ATOM 495 CG TYR A 31 -3.430 -9.580 -2.248 1.00 0.00 C +ATOM 496 CD1 TYR A 31 -2.096 -9.196 -2.339 1.00 0.00 C +ATOM 497 CD2 TYR A 31 -4.238 -9.427 -3.367 1.00 0.00 C +ATOM 498 CE1 TYR A 31 -1.587 -8.674 -3.520 1.00 0.00 C +ATOM 499 CE2 TYR A 31 -3.738 -8.906 -4.541 1.00 0.00 C +ATOM 500 CZ TYR A 31 -2.417 -8.533 -4.613 1.00 0.00 C +ATOM 501 OH TYR A 31 -1.919 -8.027 -5.788 1.00 0.00 O +ATOM 502 H TYR A 31 -3.906 -10.930 1.330 1.00 0.00 H +ATOM 503 HA TYR A 31 -2.935 -8.818 0.173 1.00 0.00 H +ATOM 504 HB2 TYR A 31 -3.556 -11.026 -0.809 1.00 0.00 H +ATOM 505 HB3 TYR A 31 -4.930 -10.340 -1.087 1.00 0.00 H +ATOM 506 HD1 TYR A 31 -1.539 -9.290 -1.600 1.00 0.00 H +ATOM 507 HD2 TYR A 31 -5.132 -9.680 -3.324 1.00 0.00 H +ATOM 508 HE1 TYR A 31 -0.694 -8.421 -3.574 1.00 0.00 H +ATOM 509 HE2 TYR A 31 -4.292 -8.807 -5.281 1.00 0.00 H +ATOM 510 HH TYR A 31 -2.493 -8.112 -6.396 1.00 0.00 H +ATOM 511 N LYS A 32 -6.104 -8.665 0.697 1.00 0.00 N +ATOM 512 CA LYS A 32 -7.234 -7.749 0.848 1.00 0.00 C +ATOM 513 C LYS A 32 -6.957 -6.729 1.951 1.00 0.00 C +ATOM 514 O LYS A 32 -7.104 -5.524 1.742 1.00 0.00 O +ATOM 515 CB LYS A 32 -8.523 -8.517 1.158 1.00 0.00 C +ATOM 516 CG LYS A 32 -9.097 -9.259 -0.039 1.00 0.00 C +ATOM 517 CD LYS A 32 -9.544 -8.291 -1.125 1.00 0.00 C +ATOM 518 CE LYS A 32 -10.122 -9.021 -2.327 1.00 0.00 C +ATOM 519 NZ LYS A 32 -10.578 -8.075 -3.385 1.00 0.00 N +ATOM 520 H LYS A 32 -6.290 -9.489 0.856 1.00 0.00 H +ATOM 521 HA LYS A 32 -7.349 -7.278 0.008 1.00 0.00 H +ATOM 522 HB2 LYS A 32 -8.348 -9.153 1.869 1.00 0.00 H +ATOM 523 HB3 LYS A 32 -9.188 -7.895 1.492 1.00 0.00 H +ATOM 524 HG2 LYS A 32 -8.430 -9.865 -0.397 1.00 0.00 H +ATOM 525 HG3 LYS A 32 -9.850 -9.801 0.244 1.00 0.00 H +ATOM 526 HD2 LYS A 32 -10.209 -7.684 -0.764 1.00 0.00 H +ATOM 527 HD3 LYS A 32 -8.790 -7.750 -1.407 1.00 0.00 H +ATOM 528 HE2 LYS A 32 -9.452 -9.619 -2.695 1.00 0.00 H +ATOM 529 HE3 LYS A 32 -10.868 -9.572 -2.043 1.00 0.00 H +ATOM 530 HZ1 LYS A 32 -11.378 -8.327 -3.684 1.00 0.00 H +ATOM 531 HZ2 LYS A 32 -10.633 -7.254 -3.046 1.00 0.00 H +ATOM 532 HZ3 LYS A 32 -9.996 -8.079 -4.058 1.00 0.00 H +ATOM 533 N ALA A 33 -6.548 -7.225 3.125 1.00 0.00 N +ATOM 534 CA ALA A 33 -6.241 -6.363 4.267 1.00 0.00 C +ATOM 535 C ALA A 33 -5.178 -5.330 3.913 1.00 0.00 C +ATOM 536 O ALA A 33 -5.376 -4.137 4.123 1.00 0.00 O +ATOM 537 CB ALA A 33 -5.781 -7.194 5.458 1.00 0.00 C +ATOM 538 H ALA A 33 -6.442 -8.065 3.278 1.00 0.00 H +ATOM 539 HA ALA A 33 -7.055 -5.892 4.505 1.00 0.00 H +ATOM 540 HB1 ALA A 33 -5.582 -6.607 6.205 1.00 0.00 H +ATOM 541 HB2 ALA A 33 -6.484 -7.813 5.712 1.00 0.00 H +ATOM 542 HB3 ALA A 33 -4.984 -7.692 5.217 1.00 0.00 H +ATOM 543 N PHE A 34 -4.054 -5.802 3.370 1.00 0.00 N +ATOM 544 CA PHE A 34 -2.945 -4.928 2.982 1.00 0.00 C +ATOM 545 C PHE A 34 -3.442 -3.770 2.120 1.00 0.00 C +ATOM 546 O PHE A 34 -3.134 -2.611 2.398 1.00 0.00 O +ATOM 547 CB PHE A 34 -1.885 -5.743 2.230 1.00 0.00 C +ATOM 548 CG PHE A 34 -0.636 -4.979 1.883 1.00 0.00 C +ATOM 549 CD1 PHE A 34 -0.653 -3.982 0.920 1.00 0.00 C +ATOM 550 CD2 PHE A 34 0.559 -5.268 2.519 1.00 0.00 C +ATOM 551 CE1 PHE A 34 0.499 -3.290 0.601 1.00 0.00 C +ATOM 552 CE2 PHE A 34 1.714 -4.578 2.205 1.00 0.00 C +ATOM 553 CZ PHE A 34 1.684 -3.589 1.243 1.00 0.00 C +ATOM 554 H PHE A 34 -3.913 -6.636 3.217 1.00 0.00 H +ATOM 555 HA PHE A 34 -2.547 -4.553 3.783 1.00 0.00 H +ATOM 556 HB2 PHE A 34 -1.641 -6.510 2.771 1.00 0.00 H +ATOM 557 HB3 PHE A 34 -2.278 -6.086 1.412 1.00 0.00 H +ATOM 558 HD1 PHE A 34 -1.449 -3.777 0.484 1.00 0.00 H +ATOM 559 HD2 PHE A 34 0.585 -5.935 3.166 1.00 0.00 H +ATOM 560 HE1 PHE A 34 0.476 -2.623 -0.046 1.00 0.00 H +ATOM 561 HE2 PHE A 34 2.510 -4.780 2.641 1.00 0.00 H +ATOM 562 HZ PHE A 34 2.461 -3.125 1.028 1.00 0.00 H +ATOM 563 N LEU A 35 -4.223 -4.083 1.089 1.00 0.00 N +ATOM 564 CA LEU A 35 -4.770 -3.050 0.213 1.00 0.00 C +ATOM 565 C LEU A 35 -5.651 -2.083 1.006 1.00 0.00 C +ATOM 566 O LEU A 35 -5.504 -0.866 0.890 1.00 0.00 O +ATOM 567 CB LEU A 35 -5.555 -3.673 -0.945 1.00 0.00 C +ATOM 568 CG LEU A 35 -4.719 -4.532 -1.901 1.00 0.00 C +ATOM 569 CD1 LEU A 35 -5.584 -5.065 -3.034 1.00 0.00 C +ATOM 570 CD2 LEU A 35 -3.541 -3.736 -2.452 1.00 0.00 C +ATOM 571 H LEU A 35 -4.448 -4.886 0.880 1.00 0.00 H +ATOM 572 HA LEU A 35 -4.029 -2.550 -0.163 1.00 0.00 H +ATOM 573 HB2 LEU A 35 -6.268 -4.220 -0.579 1.00 0.00 H +ATOM 574 HB3 LEU A 35 -5.976 -2.962 -1.453 1.00 0.00 H +ATOM 575 HG LEU A 35 -4.367 -5.287 -1.404 1.00 0.00 H +ATOM 576 HD11 LEU A 35 -5.041 -5.606 -3.629 1.00 0.00 H +ATOM 577 HD12 LEU A 35 -6.300 -5.608 -2.667 1.00 0.00 H +ATOM 578 HD13 LEU A 35 -5.963 -4.322 -3.529 1.00 0.00 H +ATOM 579 HD21 LEU A 35 -3.025 -4.295 -3.054 1.00 0.00 H +ATOM 580 HD22 LEU A 35 -3.871 -2.962 -2.934 1.00 0.00 H +ATOM 581 HD23 LEU A 35 -2.977 -3.444 -1.719 1.00 0.00 H +ATOM 582 N GLU A 36 -6.548 -2.632 1.832 1.00 0.00 N +ATOM 583 CA GLU A 36 -7.432 -1.811 2.664 1.00 0.00 C +ATOM 584 C GLU A 36 -6.618 -0.931 3.611 1.00 0.00 C +ATOM 585 O GLU A 36 -7.005 0.199 3.901 1.00 0.00 O +ATOM 586 CB GLU A 36 -8.391 -2.692 3.474 1.00 0.00 C +ATOM 587 CG GLU A 36 -9.373 -3.487 2.621 1.00 0.00 C +ATOM 588 CD GLU A 36 -10.376 -2.618 1.871 1.00 0.00 C +ATOM 589 OE1 GLU A 36 -10.365 -1.379 2.054 1.00 0.00 O +ATOM 590 OE2 GLU A 36 -11.180 -3.183 1.102 1.00 0.00 O +ATOM 591 H GLU A 36 -6.660 -3.480 1.924 1.00 0.00 H +ATOM 592 HA GLU A 36 -7.951 -1.243 2.074 1.00 0.00 H +ATOM 593 HB2 GLU A 36 -7.872 -3.309 4.013 1.00 0.00 H +ATOM 594 HB3 GLU A 36 -8.891 -2.131 4.088 1.00 0.00 H +ATOM 595 HG2 GLU A 36 -8.876 -4.019 1.980 1.00 0.00 H +ATOM 596 HG3 GLU A 36 -9.856 -4.106 3.190 1.00 0.00 H +ATOM 597 N ILE A 37 -5.479 -1.454 4.073 1.00 0.00 N +ATOM 598 CA ILE A 37 -4.590 -0.721 4.969 1.00 0.00 C +ATOM 599 C ILE A 37 -4.135 0.578 4.311 1.00 0.00 C +ATOM 600 O ILE A 37 -4.296 1.664 4.872 1.00 0.00 O +ATOM 601 CB ILE A 37 -3.364 -1.578 5.338 1.00 0.00 C +ATOM 602 CG1 ILE A 37 -3.795 -2.749 6.217 1.00 0.00 C +ATOM 603 CG2 ILE A 37 -2.301 -0.750 6.038 1.00 0.00 C +ATOM 604 CD1 ILE A 37 -2.703 -3.763 6.434 1.00 0.00 C +ATOM 605 H ILE A 37 -5.203 -2.244 3.874 1.00 0.00 H +ATOM 606 HA ILE A 37 -5.079 -0.513 5.781 1.00 0.00 H +ATOM 607 HB ILE A 37 -2.975 -1.922 4.518 1.00 0.00 H +ATOM 608 HG12 ILE A 37 -4.088 -2.409 7.077 1.00 0.00 H +ATOM 609 HG13 ILE A 37 -4.559 -3.187 5.810 1.00 0.00 H +ATOM 610 HG21 ILE A 37 -1.543 -1.315 6.258 1.00 0.00 H +ATOM 611 HG22 ILE A 37 -2.011 -0.034 5.452 1.00 0.00 H +ATOM 612 HG23 ILE A 37 -2.669 -0.372 6.852 1.00 0.00 H +ATOM 613 HD11 ILE A 37 -3.034 -4.480 6.997 1.00 0.00 H +ATOM 614 HD12 ILE A 37 -2.424 -4.127 5.579 1.00 0.00 H +ATOM 615 HD13 ILE A 37 -1.946 -3.337 6.866 1.00 0.00 H +ATOM 616 N LEU A 38 -3.593 0.450 3.102 1.00 0.00 N +ATOM 617 CA LEU A 38 -3.136 1.601 2.328 1.00 0.00 C +ATOM 618 C LEU A 38 -4.322 2.503 2.011 1.00 0.00 C +ATOM 619 O LEU A 38 -4.286 3.711 2.246 1.00 0.00 O +ATOM 620 CB LEU A 38 -2.488 1.136 1.023 1.00 0.00 C +ATOM 621 CG LEU A 38 -1.536 -0.053 1.154 1.00 0.00 C +ATOM 622 CD1 LEU A 38 -0.998 -0.453 -0.206 1.00 0.00 C +ATOM 623 CD2 LEU A 38 -0.406 0.275 2.113 1.00 0.00 C +ATOM 624 H LEU A 38 -3.480 -0.306 2.708 1.00 0.00 H +ATOM 625 HA LEU A 38 -2.481 2.091 2.849 1.00 0.00 H +ATOM 626 HB2 LEU A 38 -3.190 0.902 0.396 1.00 0.00 H +ATOM 627 HB3 LEU A 38 -2.001 1.881 0.638 1.00 0.00 H +ATOM 628 HG LEU A 38 -2.028 -0.807 1.516 1.00 0.00 H +ATOM 629 HD11 LEU A 38 -0.396 -1.207 -0.107 1.00 0.00 H +ATOM 630 HD12 LEU A 38 -1.735 -0.702 -0.785 1.00 0.00 H +ATOM 631 HD13 LEU A 38 -0.518 0.294 -0.597 1.00 0.00 H +ATOM 632 HD21 LEU A 38 0.189 -0.488 2.186 1.00 0.00 H +ATOM 633 HD22 LEU A 38 0.089 1.040 1.780 1.00 0.00 H +ATOM 634 HD23 LEU A 38 -0.773 0.483 2.987 1.00 0.00 H +ATOM 635 N HIS A 39 -5.374 1.888 1.471 1.00 0.00 N +ATOM 636 CA HIS A 39 -6.602 2.604 1.109 1.00 0.00 C +ATOM 637 C HIS A 39 -7.190 3.375 2.298 1.00 0.00 C +ATOM 638 O HIS A 39 -7.745 4.456 2.120 1.00 0.00 O +ATOM 639 CB HIS A 39 -7.650 1.639 0.545 1.00 0.00 C +ATOM 640 CG HIS A 39 -7.400 1.234 -0.875 1.00 0.00 C +ATOM 641 ND1 HIS A 39 -7.316 2.138 -1.913 1.00 0.00 N +ATOM 642 CD2 HIS A 39 -7.223 0.013 -1.428 1.00 0.00 C +ATOM 643 CE1 HIS A 39 -7.099 1.489 -3.043 1.00 0.00 C +ATOM 644 NE2 HIS A 39 -7.039 0.198 -2.776 1.00 0.00 N +ATOM 645 H HIS A 39 -5.398 1.045 1.304 1.00 0.00 H +ATOM 646 HA HIS A 39 -6.361 3.248 0.425 1.00 0.00 H +ATOM 647 HB2 HIS A 39 -7.676 0.843 1.099 1.00 0.00 H +ATOM 648 HB3 HIS A 39 -8.525 2.054 0.604 1.00 0.00 H +ATOM 649 HD1 HIS A 39 -7.393 2.991 -1.837 1.00 0.00 H +ATOM 650 HD2 HIS A 39 -7.225 -0.801 -0.979 1.00 0.00 H +ATOM 651 HE1 HIS A 39 -7.005 1.876 -3.883 1.00 0.00 H +ATOM 652 HE2 HIS A 39 -6.906 -0.426 -3.353 1.00 0.00 H +ATOM 653 N THR A 40 -7.054 2.842 3.514 1.00 0.00 N +ATOM 654 CA THR A 40 -7.560 3.545 4.695 1.00 0.00 C +ATOM 655 C THR A 40 -6.840 4.888 4.791 1.00 0.00 C +ATOM 656 O THR A 40 -7.462 5.938 4.958 1.00 0.00 O +ATOM 657 CB THR A 40 -7.338 2.709 5.969 1.00 0.00 C +ATOM 658 OG1 THR A 40 -8.114 1.524 5.931 1.00 0.00 O +ATOM 659 CG2 THR A 40 -7.686 3.435 7.255 1.00 0.00 C +ATOM 660 H THR A 40 -6.678 2.086 3.676 1.00 0.00 H +ATOM 661 HA THR A 40 -8.516 3.688 4.612 1.00 0.00 H +ATOM 662 HB THR A 40 -6.387 2.518 5.976 1.00 0.00 H +ATOM 663 HG1 THR A 40 -7.904 1.073 5.254 1.00 0.00 H +ATOM 664 HG21 THR A 40 -7.522 2.850 8.011 1.00 0.00 H +ATOM 665 HG22 THR A 40 -7.137 4.230 7.337 1.00 0.00 H +ATOM 666 HG23 THR A 40 -8.622 3.689 7.240 1.00 0.00 H +ATOM 667 N TYR A 41 -5.520 4.827 4.634 1.00 0.00 N +ATOM 668 CA TYR A 41 -4.656 6.002 4.646 1.00 0.00 C +ATOM 669 C TYR A 41 -5.067 6.998 3.550 1.00 0.00 C +ATOM 670 O TYR A 41 -5.323 8.169 3.834 1.00 0.00 O +ATOM 671 CB TYR A 41 -3.208 5.533 4.463 1.00 0.00 C +ATOM 672 CG TYR A 41 -2.179 6.631 4.358 1.00 0.00 C +ATOM 673 CD1 TYR A 41 -2.162 7.486 3.272 1.00 0.00 C +ATOM 674 CD2 TYR A 41 -1.206 6.787 5.331 1.00 0.00 C +ATOM 675 CE1 TYR A 41 -1.205 8.468 3.155 1.00 0.00 C +ATOM 676 CE2 TYR A 41 -0.248 7.772 5.226 1.00 0.00 C +ATOM 677 CZ TYR A 41 -0.249 8.610 4.135 1.00 0.00 C +ATOM 678 OH TYR A 41 0.709 9.591 4.022 1.00 0.00 O +ATOM 679 H TYR A 41 -5.095 4.089 4.516 1.00 0.00 H +ATOM 680 HA TYR A 41 -4.741 6.469 5.492 1.00 0.00 H +ATOM 681 HB2 TYR A 41 -2.973 4.961 5.210 1.00 0.00 H +ATOM 682 HB3 TYR A 41 -3.160 4.988 3.662 1.00 0.00 H +ATOM 683 HD1 TYR A 41 -2.808 7.396 2.609 1.00 0.00 H +ATOM 684 HD2 TYR A 41 -1.199 6.218 6.067 1.00 0.00 H +ATOM 685 HE1 TYR A 41 -1.204 9.033 2.417 1.00 0.00 H +ATOM 686 HE2 TYR A 41 0.396 7.870 5.890 1.00 0.00 H +ATOM 687 HH TYR A 41 1.431 9.249 3.762 1.00 0.00 H +ATOM 688 N GLN A 42 -5.120 6.521 2.298 1.00 0.00 N +ATOM 689 CA GLN A 42 -5.489 7.366 1.153 1.00 0.00 C +ATOM 690 C GLN A 42 -6.876 8.000 1.312 1.00 0.00 C +ATOM 691 O GLN A 42 -7.065 9.167 0.965 1.00 0.00 O +ATOM 692 CB GLN A 42 -5.395 6.576 -0.159 1.00 0.00 C +ATOM 693 CG GLN A 42 -6.385 5.453 -0.257 1.00 0.00 C +ATOM 694 CD GLN A 42 -7.753 5.831 -0.829 1.00 0.00 C +ATOM 695 OE1 GLN A 42 -8.643 4.985 -0.900 1.00 0.00 O +ATOM 696 NE2 GLN A 42 -7.938 7.082 -1.253 1.00 0.00 N +ATOM 697 H GLN A 42 -4.944 5.705 2.091 1.00 0.00 H +ATOM 698 HA GLN A 42 -4.850 8.095 1.123 1.00 0.00 H +ATOM 699 HB2 GLN A 42 -5.531 7.183 -0.903 1.00 0.00 H +ATOM 700 HB3 GLN A 42 -4.499 6.216 -0.247 1.00 0.00 H +ATOM 701 HG2 GLN A 42 -6.003 4.753 -0.809 1.00 0.00 H +ATOM 702 HG3 GLN A 42 -6.514 5.078 0.628 1.00 0.00 H +ATOM 703 HE21 GLN A 42 -7.300 7.655 -1.193 1.00 0.00 H +ATOM 704 HE22 GLN A 42 -8.695 7.315 -1.587 1.00 0.00 H +ATOM 705 N LYS A 43 -7.845 7.230 1.822 1.00 0.00 N +ATOM 706 CA LYS A 43 -9.212 7.732 2.003 1.00 0.00 C +ATOM 707 C LYS A 43 -9.264 8.917 2.965 1.00 0.00 C +ATOM 708 O LYS A 43 -9.889 9.927 2.660 1.00 0.00 O +ATOM 709 CB LYS A 43 -10.142 6.629 2.515 1.00 0.00 C +ATOM 710 CG LYS A 43 -10.455 5.548 1.492 1.00 0.00 C +ATOM 711 CD LYS A 43 -11.432 4.523 2.050 1.00 0.00 C +ATOM 712 CE LYS A 43 -10.882 3.839 3.295 1.00 0.00 C +ATOM 713 NZ LYS A 43 -11.868 2.899 3.898 1.00 0.00 N +ATOM 714 H LYS A 43 -7.730 6.414 2.069 1.00 0.00 H +ATOM 715 HA LYS A 43 -9.513 8.029 1.130 1.00 0.00 H +ATOM 716 HB2 LYS A 43 -9.738 6.215 3.293 1.00 0.00 H +ATOM 717 HB3 LYS A 43 -10.974 7.032 2.808 1.00 0.00 H +ATOM 718 HG2 LYS A 43 -10.829 5.954 0.694 1.00 0.00 H +ATOM 719 HG3 LYS A 43 -9.634 5.104 1.226 1.00 0.00 H +ATOM 720 HD2 LYS A 43 -12.271 4.959 2.264 1.00 0.00 H +ATOM 721 HD3 LYS A 43 -11.624 3.856 1.372 1.00 0.00 H +ATOM 722 HE2 LYS A 43 -10.073 3.355 3.066 1.00 0.00 H +ATOM 723 HE3 LYS A 43 -10.635 4.511 3.950 1.00 0.00 H +ATOM 724 HZ1 LYS A 43 -11.738 2.856 4.777 1.00 0.00 H +ATOM 725 HZ2 LYS A 43 -12.693 3.189 3.734 1.00 0.00 H +ATOM 726 HZ3 LYS A 43 -11.762 2.090 3.543 1.00 0.00 H +ATOM 727 N GLU A 44 -8.619 8.788 4.128 1.00 0.00 N +ATOM 728 CA GLU A 44 -8.613 9.865 5.126 1.00 0.00 C +ATOM 729 C GLU A 44 -8.195 11.199 4.505 1.00 0.00 C +ATOM 730 O GLU A 44 -8.734 12.247 4.866 1.00 0.00 O +ATOM 731 CB GLU A 44 -7.712 9.504 6.311 1.00 0.00 C +ATOM 732 CG GLU A 44 -8.432 8.754 7.429 1.00 0.00 C +ATOM 733 CD GLU A 44 -9.032 7.427 6.998 1.00 0.00 C +ATOM 734 OE1 GLU A 44 -9.955 7.428 6.154 1.00 0.00 O +ATOM 735 OE2 GLU A 44 -8.586 6.385 7.516 1.00 0.00 O +ATOM 736 H GLU A 44 -8.179 8.086 4.359 1.00 0.00 H +ATOM 737 HA GLU A 44 -9.519 9.968 5.456 1.00 0.00 H +ATOM 738 HB2 GLU A 44 -6.975 8.961 5.992 1.00 0.00 H +ATOM 739 HB3 GLU A 44 -7.328 10.318 6.674 1.00 0.00 H +ATOM 740 HG2 GLU A 44 -7.807 8.595 8.154 1.00 0.00 H +ATOM 741 HG3 GLU A 44 -9.138 9.318 7.781 1.00 0.00 H +ATOM 742 N GLN A 45 -7.271 11.157 3.538 1.00 0.00 N +ATOM 743 CA GLN A 45 -6.845 12.374 2.842 1.00 0.00 C +ATOM 744 C GLN A 45 -8.047 12.947 2.108 1.00 0.00 C +ATOM 745 O GLN A 45 -8.315 14.149 2.147 1.00 0.00 O +ATOM 746 CB GLN A 45 -5.738 12.075 1.831 1.00 0.00 C +ATOM 747 CG GLN A 45 -4.581 11.290 2.404 1.00 0.00 C +ATOM 748 CD GLN A 45 -3.407 11.205 1.444 1.00 0.00 C +ATOM 749 OE1 GLN A 45 -2.882 12.225 0.999 1.00 0.00 O +ATOM 750 NE2 GLN A 45 -2.983 9.989 1.124 1.00 0.00 N +ATOM 751 H GLN A 45 -6.882 10.438 3.273 1.00 0.00 H +ATOM 752 HA GLN A 45 -6.498 13.005 3.492 1.00 0.00 H +ATOM 753 HB2 GLN A 45 -6.116 11.580 1.087 1.00 0.00 H +ATOM 754 HB3 GLN A 45 -5.404 12.913 1.474 1.00 0.00 H +ATOM 755 HG2 GLN A 45 -4.290 11.705 3.231 1.00 0.00 H +ATOM 756 HG3 GLN A 45 -4.880 10.394 2.626 1.00 0.00 H +ATOM 757 HE21 GLN A 45 -3.373 9.297 1.453 1.00 0.00 H +ATOM 758 HE22 GLN A 45 -2.318 9.893 0.587 1.00 0.00 H +ATOM 759 N ARG A 46 -8.779 12.040 1.463 1.00 0.00 N +ATOM 760 CA ARG A 46 -9.994 12.382 0.723 1.00 0.00 C +ATOM 761 C ARG A 46 -11.047 12.938 1.683 1.00 0.00 C +ATOM 762 O ARG A 46 -11.736 13.910 1.372 1.00 0.00 O +ATOM 763 CB ARG A 46 -10.563 11.136 0.027 1.00 0.00 C +ATOM 764 CG ARG A 46 -9.538 10.325 -0.757 1.00 0.00 C +ATOM 765 CD ARG A 46 -9.236 10.943 -2.111 1.00 0.00 C +ATOM 766 NE ARG A 46 -8.651 12.282 -2.003 1.00 0.00 N +ATOM 767 CZ ARG A 46 -7.406 12.530 -1.584 1.00 0.00 C +ATOM 768 NH1 ARG A 46 -6.581 11.531 -1.283 1.00 0.00 N +ATOM 769 NH2 ARG A 46 -6.982 13.784 -1.481 1.00 0.00 N +ATOM 770 H ARG A 46 -8.583 11.203 1.442 1.00 0.00 H +ATOM 771 HA ARG A 46 -9.770 13.050 0.056 1.00 0.00 H +ATOM 772 HB2 ARG A 46 -10.968 10.563 0.696 1.00 0.00 H +ATOM 773 HB3 ARG A 46 -11.270 11.412 -0.577 1.00 0.00 H +ATOM 774 HG2 ARG A 46 -8.718 10.259 -0.243 1.00 0.00 H +ATOM 775 HG3 ARG A 46 -9.869 9.422 -0.882 1.00 0.00 H +ATOM 776 HD2 ARG A 46 -8.626 10.366 -2.597 1.00 0.00 H +ATOM 777 HD3 ARG A 46 -10.054 10.992 -2.630 1.00 0.00 H +ATOM 778 HE ARG A 46 -9.141 12.953 -2.224 1.00 0.00 H +ATOM 779 HH11 ARG A 46 -6.847 10.717 -1.357 1.00 0.00 H +ATOM 780 HH12 ARG A 46 -5.782 11.700 -1.014 1.00 0.00 H +ATOM 781 HH21 ARG A 46 -7.508 14.434 -1.684 1.00 0.00 H +ATOM 782 HH22 ARG A 46 -6.182 13.947 -1.212 1.00 0.00 H +ATOM 783 N ASN A 47 -11.151 12.305 2.858 1.00 0.00 N +ATOM 784 CA ASN A 47 -12.101 12.710 3.893 1.00 0.00 C +ATOM 785 C ASN A 47 -11.915 14.179 4.271 1.00 0.00 C +ATOM 786 O ASN A 47 -12.879 14.947 4.291 1.00 0.00 O +ATOM 787 CB ASN A 47 -11.937 11.818 5.132 1.00 0.00 C +ATOM 788 CG ASN A 47 -12.536 10.435 4.943 1.00 0.00 C +ATOM 789 OD1 ASN A 47 -12.134 9.686 4.054 1.00 0.00 O +ATOM 790 ND2 ASN A 47 -13.507 10.088 5.781 1.00 0.00 N +ATOM 791 H ASN A 47 -10.669 11.626 3.074 1.00 0.00 H +ATOM 792 HA ASN A 47 -12.998 12.604 3.539 1.00 0.00 H +ATOM 793 HB2 ASN A 47 -10.994 11.732 5.341 1.00 0.00 H +ATOM 794 HB3 ASN A 47 -12.358 12.247 5.893 1.00 0.00 H +ATOM 795 HD21 ASN A 47 -13.878 9.315 5.713 1.00 0.00 H +ATOM 796 HD22 ASN A 47 -13.764 10.636 6.392 1.00 0.00 H +ATOM 797 N ALA A 48 -10.669 14.566 4.558 1.00 0.00 N +ATOM 798 CA ALA A 48 -10.351 15.948 4.923 1.00 0.00 C +ATOM 799 C ALA A 48 -10.836 16.931 3.858 1.00 0.00 C +ATOM 800 O ALA A 48 -11.353 18.002 4.181 1.00 0.00 O +ATOM 801 CB ALA A 48 -8.853 16.104 5.148 1.00 0.00 C +ATOM 802 H ALA A 48 -9.990 14.038 4.547 1.00 0.00 H +ATOM 803 HA ALA A 48 -10.816 16.153 5.749 1.00 0.00 H +ATOM 804 HB1 ALA A 48 -8.656 17.023 5.389 1.00 0.00 H +ATOM 805 HB2 ALA A 48 -8.570 15.514 5.864 1.00 0.00 H +ATOM 806 HB3 ALA A 48 -8.378 15.874 4.334 1.00 0.00 H +ATOM 807 N LYS A 49 -10.669 16.554 2.588 1.00 0.00 N +ATOM 808 CA LYS A 49 -11.089 17.393 1.468 1.00 0.00 C +ATOM 809 C LYS A 49 -12.612 17.536 1.424 1.00 0.00 C +ATOM 810 O LYS A 49 -13.133 18.638 1.244 1.00 0.00 O +ATOM 811 CB LYS A 49 -10.583 16.801 0.147 1.00 0.00 C +ATOM 812 CG LYS A 49 -10.910 17.649 -1.072 1.00 0.00 C +ATOM 813 CD LYS A 49 -10.197 18.992 -1.028 1.00 0.00 C +ATOM 814 CE LYS A 49 -10.582 19.873 -2.208 1.00 0.00 C +ATOM 815 NZ LYS A 49 -10.203 19.263 -3.515 1.00 0.00 N +ATOM 816 H LYS A 49 -10.311 15.808 2.355 1.00 0.00 H +ATOM 817 HA LYS A 49 -10.705 18.275 1.594 1.00 0.00 H +ATOM 818 HB2 LYS A 49 -9.621 16.686 0.202 1.00 0.00 H +ATOM 819 HB3 LYS A 49 -10.968 15.919 0.029 1.00 0.00 H +ATOM 820 HG2 LYS A 49 -10.654 17.172 -1.877 1.00 0.00 H +ATOM 821 HG3 LYS A 49 -11.868 17.792 -1.120 1.00 0.00 H +ATOM 822 HD2 LYS A 49 -10.415 19.447 -0.200 1.00 0.00 H +ATOM 823 HD3 LYS A 49 -9.238 18.849 -1.030 1.00 0.00 H +ATOM 824 HE2 LYS A 49 -11.539 20.031 -2.192 1.00 0.00 H +ATOM 825 HE3 LYS A 49 -10.150 20.737 -2.119 1.00 0.00 H +ATOM 826 HZ1 LYS A 49 -10.309 19.862 -4.164 1.00 0.00 H +ATOM 827 HZ2 LYS A 49 -9.352 19.005 -3.487 1.00 0.00 H +ATOM 828 HZ3 LYS A 49 -10.721 18.558 -3.675 1.00 0.00 H +ATOM 829 N GLU A 50 -13.317 16.413 1.588 1.00 0.00 N +ATOM 830 CA GLU A 50 -14.782 16.403 1.565 1.00 0.00 C +ATOM 831 C GLU A 50 -15.372 17.256 2.691 1.00 0.00 C +ATOM 832 O GLU A 50 -16.412 17.892 2.513 1.00 0.00 O +ATOM 833 CB GLU A 50 -15.305 14.968 1.675 1.00 0.00 C +ATOM 834 CG GLU A 50 -14.892 14.077 0.514 1.00 0.00 C +ATOM 835 CD GLU A 50 -15.358 12.643 0.678 1.00 0.00 C +ATOM 836 OE1 GLU A 50 -16.587 12.417 0.718 1.00 0.00 O +ATOM 837 OE2 GLU A 50 -14.494 11.746 0.770 1.00 0.00 O +ATOM 838 H GLU A 50 -12.961 15.640 1.715 1.00 0.00 H +ATOM 839 HA GLU A 50 -15.062 16.786 0.719 1.00 0.00 H +ATOM 840 HB2 GLU A 50 -14.983 14.577 2.503 1.00 0.00 H +ATOM 841 HB3 GLU A 50 -16.273 14.988 1.728 1.00 0.00 H +ATOM 842 HG2 GLU A 50 -15.254 14.438 -0.310 1.00 0.00 H +ATOM 843 HG3 GLU A 50 -13.926 14.091 0.429 1.00 0.00 H +ATOM 844 N ALA A 51 -14.702 17.268 3.847 1.00 0.00 N +ATOM 845 CA ALA A 51 -15.163 18.046 4.997 1.00 0.00 C +ATOM 846 C ALA A 51 -15.038 19.555 4.758 1.00 0.00 C +ATOM 847 O ALA A 51 -15.644 20.351 5.478 1.00 0.00 O +ATOM 848 CB ALA A 51 -14.393 17.644 6.248 1.00 0.00 C +ATOM 849 H ALA A 51 -13.975 16.830 3.984 1.00 0.00 H +ATOM 850 HA ALA A 51 -16.104 17.849 5.123 1.00 0.00 H +ATOM 851 HB1 ALA A 51 -14.707 18.166 7.003 1.00 0.00 H +ATOM 852 HB2 ALA A 51 -14.534 16.701 6.426 1.00 0.00 H +ATOM 853 HB3 ALA A 51 -13.447 17.809 6.113 1.00 0.00 H +ATOM 854 N GLY A 52 -14.247 19.947 3.752 1.00 0.00 N +ATOM 855 CA GLY A 52 -14.062 21.358 3.451 1.00 0.00 C +ATOM 856 C GLY A 52 -12.741 21.904 3.971 1.00 0.00 C +ATOM 857 O GLY A 52 -12.256 22.925 3.482 1.00 0.00 O +ATOM 858 H GLY A 52 -13.814 19.410 3.239 1.00 0.00 H +ATOM 859 HA2 GLY A 52 -14.105 21.488 2.491 1.00 0.00 H +ATOM 860 HA3 GLY A 52 -14.792 21.865 3.839 1.00 0.00 H +ATOM 861 N GLY A 53 -12.162 21.225 4.965 1.00 0.00 N +ATOM 862 CA GLY A 53 -10.900 21.664 5.538 1.00 0.00 C +ATOM 863 C GLY A 53 -10.837 21.448 7.040 1.00 0.00 C +ATOM 864 O GLY A 53 -9.768 21.173 7.586 1.00 0.00 O +ATOM 865 H GLY A 53 -12.487 20.511 5.317 1.00 0.00 H +ATOM 866 HA2 GLY A 53 -10.171 21.184 5.114 1.00 0.00 H +ATOM 867 HA3 GLY A 53 -10.770 22.605 5.344 1.00 0.00 H +ATOM 868 N ASN A 54 -11.988 21.572 7.709 1.00 0.00 N +ATOM 869 CA ASN A 54 -12.066 21.389 9.158 1.00 0.00 C +ATOM 870 C ASN A 54 -12.190 19.905 9.516 1.00 0.00 C +ATOM 871 O ASN A 54 -13.203 19.469 10.069 1.00 0.00 O +ATOM 872 CB ASN A 54 -13.256 22.174 9.725 1.00 0.00 C +ATOM 873 CG ASN A 54 -13.191 23.653 9.389 1.00 0.00 C +ATOM 874 OD1 ASN A 54 -12.262 24.353 9.791 1.00 0.00 O +ATOM 875 ND2 ASN A 54 -14.180 24.137 8.643 1.00 0.00 N +ATOM 876 H ASN A 54 -12.739 21.763 7.336 1.00 0.00 H +ATOM 877 HA ASN A 54 -11.247 21.728 9.553 1.00 0.00 H +ATOM 878 HB2 ASN A 54 -14.081 21.802 9.375 1.00 0.00 H +ATOM 879 HB3 ASN A 54 -13.282 22.065 10.689 1.00 0.00 H +ATOM 880 HD21 ASN A 54 -14.186 24.969 8.424 1.00 0.00 H +ATOM 881 HD22 ASN A 54 -14.813 23.618 8.380 1.00 0.00 H +ATOM 882 N TYR A 55 -11.151 19.133 9.195 1.00 0.00 N +ATOM 883 CA TYR A 55 -11.136 17.698 9.478 1.00 0.00 C +ATOM 884 C TYR A 55 -9.718 17.136 9.431 1.00 0.00 C +ATOM 885 O TYR A 55 -9.045 17.217 8.401 1.00 0.00 O +ATOM 886 CB TYR A 55 -12.001 16.934 8.466 1.00 0.00 C +ATOM 887 CG TYR A 55 -11.831 15.427 8.546 1.00 0.00 C +ATOM 888 CD1 TYR A 55 -10.798 14.794 7.862 1.00 0.00 C +ATOM 889 CD2 TYR A 55 -12.680 14.645 9.317 1.00 0.00 C +ATOM 890 CE1 TYR A 55 -10.618 13.428 7.938 1.00 0.00 C +ATOM 891 CE2 TYR A 55 -12.507 13.274 9.400 1.00 0.00 C +ATOM 892 CZ TYR A 55 -11.475 12.671 8.708 1.00 0.00 C +ATOM 893 OH TYR A 55 -11.301 11.308 8.788 1.00 0.00 O +ATOM 894 H TYR A 55 -10.440 19.425 8.810 1.00 0.00 H +ATOM 895 HA TYR A 55 -11.495 17.582 10.371 1.00 0.00 H +ATOM 896 HB2 TYR A 55 -12.933 17.156 8.614 1.00 0.00 H +ATOM 897 HB3 TYR A 55 -11.778 17.231 7.570 1.00 0.00 H +ATOM 898 HD1 TYR A 55 -10.217 15.302 7.343 1.00 0.00 H +ATOM 899 HD2 TYR A 55 -13.375 15.048 9.785 1.00 0.00 H +ATOM 900 HE1 TYR A 55 -9.923 13.021 7.473 1.00 0.00 H +ATOM 901 HE2 TYR A 55 -13.083 12.761 9.920 1.00 0.00 H +ATOM 902 HH TYR A 55 -10.650 11.080 8.309 1.00 0.00 H +ATOM 903 N THR A 56 -9.286 16.532 10.535 1.00 0.00 N +ATOM 904 CA THR A 56 -7.967 15.916 10.590 1.00 0.00 C +ATOM 905 C THR A 56 -8.086 14.429 10.239 1.00 0.00 C +ATOM 906 O THR A 56 -9.028 13.759 10.668 1.00 0.00 O +ATOM 907 CB THR A 56 -7.324 16.099 11.960 1.00 0.00 C +ATOM 908 OG1 THR A 56 -5.913 16.010 11.864 1.00 0.00 O +ATOM 909 CG2 THR A 56 -7.766 15.059 12.942 1.00 0.00 C +ATOM 910 H THR A 56 -9.742 16.469 11.261 1.00 0.00 H +ATOM 911 HA THR A 56 -7.392 16.354 9.943 1.00 0.00 H +ATOM 912 HB THR A 56 -7.602 16.975 12.270 1.00 0.00 H +ATOM 913 HG1 THR A 56 -5.581 15.977 12.635 1.00 0.00 H +ATOM 914 HG21 THR A 56 -7.333 15.215 13.796 1.00 0.00 H +ATOM 915 HG22 THR A 56 -8.728 15.108 13.054 1.00 0.00 H +ATOM 916 HG23 THR A 56 -7.524 14.179 12.613 1.00 0.00 H +ATOM 917 N PRO A 57 -7.145 13.897 9.444 1.00 0.00 N +ATOM 918 CA PRO A 57 -7.157 12.487 9.026 1.00 0.00 C +ATOM 919 C PRO A 57 -6.949 11.524 10.194 1.00 0.00 C +ATOM 920 O PRO A 57 -6.233 11.833 11.149 1.00 0.00 O +ATOM 921 CB PRO A 57 -5.993 12.395 8.029 1.00 0.00 C +ATOM 922 CG PRO A 57 -5.708 13.806 7.648 1.00 0.00 C +ATOM 923 CD PRO A 57 -6.003 14.615 8.874 1.00 0.00 C +ATOM 924 HA PRO A 57 -8.013 12.232 8.647 1.00 0.00 H +ATOM 925 HB2 PRO A 57 -5.217 11.975 8.432 1.00 0.00 H +ATOM 926 HB3 PRO A 57 -6.234 11.863 7.255 1.00 0.00 H +ATOM 927 HG2 PRO A 57 -4.785 13.914 7.371 1.00 0.00 H +ATOM 928 HG3 PRO A 57 -6.262 14.086 6.903 1.00 0.00 H +ATOM 929 HD2 PRO A 57 -5.249 14.640 9.483 1.00 0.00 H +ATOM 930 HD3 PRO A 57 -6.223 15.535 8.658 1.00 0.00 H +ATOM 931 N ALA A 58 -7.592 10.360 10.108 1.00 0.00 N +ATOM 932 CA ALA A 58 -7.502 9.340 11.152 1.00 0.00 C +ATOM 933 C ALA A 58 -6.458 8.260 10.833 1.00 0.00 C +ATOM 934 O ALA A 58 -6.535 7.152 11.362 1.00 0.00 O +ATOM 935 CB ALA A 58 -8.869 8.704 11.365 1.00 0.00 C +ATOM 936 H ALA A 58 -8.092 10.140 9.444 1.00 0.00 H +ATOM 937 HA ALA A 58 -7.211 9.781 11.966 1.00 0.00 H +ATOM 938 HB1 ALA A 58 -8.807 8.028 12.058 1.00 0.00 H +ATOM 939 HB2 ALA A 58 -9.505 9.385 11.635 1.00 0.00 H +ATOM 940 HB3 ALA A 58 -9.167 8.293 10.538 1.00 0.00 H +ATOM 941 N LEU A 59 -5.473 8.589 9.990 1.00 0.00 N +ATOM 942 CA LEU A 59 -4.417 7.642 9.630 1.00 0.00 C +ATOM 943 C LEU A 59 -3.156 8.349 9.171 1.00 0.00 C +ATOM 944 O LEU A 59 -3.171 9.514 8.767 1.00 0.00 O +ATOM 945 CB LEU A 59 -4.824 6.713 8.481 1.00 0.00 C +ATOM 946 CG LEU A 59 -5.007 5.241 8.831 1.00 0.00 C +ATOM 947 CD1 LEU A 59 -6.273 5.011 9.640 1.00 0.00 C +ATOM 948 CD2 LEU A 59 -5.000 4.400 7.568 1.00 0.00 C +ATOM 949 H LEU A 59 -5.400 9.360 9.616 1.00 0.00 H +ATOM 950 HA LEU A 59 -4.260 7.132 10.440 1.00 0.00 H +ATOM 951 HB2 LEU A 59 -5.655 7.041 8.105 1.00 0.00 H +ATOM 952 HB3 LEU A 59 -4.152 6.779 7.785 1.00 0.00 H +ATOM 953 HG LEU A 59 -4.262 4.967 9.388 1.00 0.00 H +ATOM 954 HD11 LEU A 59 -6.359 4.067 9.845 1.00 0.00 H +ATOM 955 HD12 LEU A 59 -6.226 5.518 10.466 1.00 0.00 H +ATOM 956 HD13 LEU A 59 -7.043 5.301 9.126 1.00 0.00 H +ATOM 957 HD21 LEU A 59 -5.117 3.466 7.801 1.00 0.00 H +ATOM 958 HD22 LEU A 59 -5.724 4.681 6.988 1.00 0.00 H +ATOM 959 HD23 LEU A 59 -4.154 4.515 7.107 1.00 0.00 H +ATOM 960 N THR A 60 -2.081 7.585 9.197 1.00 0.00 N +ATOM 961 CA THR A 60 -0.771 8.025 8.752 1.00 0.00 C +ATOM 962 C THR A 60 0.009 6.791 8.331 1.00 0.00 C +ATOM 963 O THR A 60 -0.497 5.672 8.459 1.00 0.00 O +ATOM 964 CB THR A 60 -0.025 8.779 9.865 1.00 0.00 C +ATOM 965 OG1 THR A 60 0.070 8.000 11.050 1.00 0.00 O +ATOM 966 CG2 THR A 60 -0.668 10.098 10.236 1.00 0.00 C +ATOM 967 H THR A 60 -2.091 6.773 9.481 1.00 0.00 H +ATOM 968 HA THR A 60 -0.866 8.641 8.009 1.00 0.00 H +ATOM 969 HB THR A 60 0.854 8.953 9.495 1.00 0.00 H +ATOM 970 HG1 THR A 60 0.370 8.475 11.674 1.00 0.00 H +ATOM 971 HG21 THR A 60 -0.153 10.523 10.940 1.00 0.00 H +ATOM 972 HG22 THR A 60 -0.691 10.677 9.458 1.00 0.00 H +ATOM 973 HG23 THR A 60 -1.573 9.941 10.548 1.00 0.00 H +ATOM 974 N GLU A 61 1.236 6.964 7.860 1.00 0.00 N +ATOM 975 CA GLU A 61 2.038 5.809 7.481 1.00 0.00 C +ATOM 976 C GLU A 61 2.126 4.838 8.666 1.00 0.00 C +ATOM 977 O GLU A 61 2.342 3.639 8.487 1.00 0.00 O +ATOM 978 CB GLU A 61 3.429 6.236 7.016 1.00 0.00 C +ATOM 979 CG GLU A 61 3.425 7.165 5.802 1.00 0.00 C +ATOM 980 CD GLU A 61 2.767 6.570 4.560 1.00 0.00 C +ATOM 981 OE1 GLU A 61 2.297 5.412 4.612 1.00 0.00 O +ATOM 982 OE2 GLU A 61 2.725 7.270 3.528 1.00 0.00 O +ATOM 983 H GLU A 61 1.618 7.727 7.753 1.00 0.00 H +ATOM 984 HA GLU A 61 1.611 5.359 6.736 1.00 0.00 H +ATOM 985 HB2 GLU A 61 3.882 6.681 7.749 1.00 0.00 H +ATOM 986 HB3 GLU A 61 3.945 5.443 6.802 1.00 0.00 H +ATOM 987 HG2 GLU A 61 2.965 7.986 6.037 1.00 0.00 H +ATOM 988 HG3 GLU A 61 4.340 7.404 5.588 1.00 0.00 H +ATOM 989 N GLN A 62 1.925 5.380 9.880 1.00 0.00 N +ATOM 990 CA GLN A 62 1.945 4.593 11.109 1.00 0.00 C +ATOM 991 C GLN A 62 0.826 3.549 11.120 1.00 0.00 C +ATOM 992 O GLN A 62 1.062 2.404 11.507 1.00 0.00 O +ATOM 993 CB GLN A 62 1.816 5.504 12.333 1.00 0.00 C +ATOM 994 CG GLN A 62 2.951 6.507 12.471 1.00 0.00 C +ATOM 995 CD GLN A 62 2.812 7.382 13.703 1.00 0.00 C +ATOM 996 OE1 GLN A 62 2.815 6.889 14.831 1.00 0.00 O +ATOM 997 NE2 GLN A 62 2.687 8.688 13.495 1.00 0.00 N +ATOM 998 H GLN A 62 1.774 6.217 10.005 1.00 0.00 H +ATOM 999 HA GLN A 62 2.796 4.129 11.145 1.00 0.00 H +ATOM 1000 HB2 GLN A 62 0.975 5.984 12.281 1.00 0.00 H +ATOM 1001 HB3 GLN A 62 1.781 4.955 13.132 1.00 0.00 H +ATOM 1002 HG2 GLN A 62 3.795 6.031 12.510 1.00 0.00 H +ATOM 1003 HG3 GLN A 62 2.979 7.069 11.681 1.00 0.00 H +ATOM 1004 HE21 GLN A 62 2.689 8.998 12.693 1.00 0.00 H +ATOM 1005 HE22 GLN A 62 2.604 9.224 14.163 1.00 0.00 H +ATOM 1006 N GLU A 63 -0.390 3.925 10.676 1.00 0.00 N +ATOM 1007 CA GLU A 63 -1.497 2.971 10.637 1.00 0.00 C +ATOM 1008 C GLU A 63 -1.255 1.950 9.536 1.00 0.00 C +ATOM 1009 O GLU A 63 -1.561 0.766 9.684 1.00 0.00 O +ATOM 1010 CB GLU A 63 -2.822 3.678 10.351 1.00 0.00 C +ATOM 1011 CG GLU A 63 -3.310 4.633 11.434 1.00 0.00 C +ATOM 1012 CD GLU A 63 -3.467 3.973 12.794 1.00 0.00 C +ATOM 1013 OE1 GLU A 63 -2.444 3.572 13.387 1.00 0.00 O +ATOM 1014 OE2 GLU A 63 -4.618 3.857 13.264 1.00 0.00 O +ATOM 1015 H GLU A 63 -0.584 4.716 10.399 1.00 0.00 H +ATOM 1016 HA GLU A 63 -1.546 2.537 11.503 1.00 0.00 H +ATOM 1017 HB2 GLU A 63 -2.732 4.174 9.522 1.00 0.00 H +ATOM 1018 HB3 GLU A 63 -3.504 3.004 10.206 1.00 0.00 H +ATOM 1019 HG2 GLU A 63 -2.685 5.371 11.510 1.00 0.00 H +ATOM 1020 HG3 GLU A 63 -4.162 5.009 11.164 1.00 0.00 H +ATOM 1021 N VAL A 64 -0.705 2.437 8.429 1.00 0.00 N +ATOM 1022 CA VAL A 64 -0.410 1.607 7.274 1.00 0.00 C +ATOM 1023 C VAL A 64 0.598 0.516 7.630 1.00 0.00 C +ATOM 1024 O VAL A 64 0.292 -0.673 7.538 1.00 0.00 O +ATOM 1025 CB VAL A 64 0.133 2.487 6.130 1.00 0.00 C +ATOM 1026 CG1 VAL A 64 0.404 1.672 4.877 1.00 0.00 C +ATOM 1027 CG2 VAL A 64 -0.842 3.622 5.846 1.00 0.00 C +ATOM 1028 H VAL A 64 -0.492 3.264 8.329 1.00 0.00 H +ATOM 1029 HA VAL A 64 -1.228 1.174 6.984 1.00 0.00 H +ATOM 1030 HB VAL A 64 0.981 2.864 6.411 1.00 0.00 H +ATOM 1031 HG11 VAL A 64 0.743 2.254 4.179 1.00 0.00 H +ATOM 1032 HG12 VAL A 64 1.061 0.986 5.073 1.00 0.00 H +ATOM 1033 HG13 VAL A 64 -0.419 1.255 4.578 1.00 0.00 H +ATOM 1034 HG21 VAL A 64 -0.497 4.173 5.126 1.00 0.00 H +ATOM 1035 HG22 VAL A 64 -1.701 3.254 5.587 1.00 0.00 H +ATOM 1036 HG23 VAL A 64 -0.950 4.163 6.644 1.00 0.00 H +ATOM 1037 N TYR A 65 1.786 0.928 8.070 1.00 0.00 N +ATOM 1038 CA TYR A 65 2.825 -0.015 8.477 1.00 0.00 C +ATOM 1039 C TYR A 65 2.334 -0.908 9.620 1.00 0.00 C +ATOM 1040 O TYR A 65 2.714 -2.074 9.711 1.00 0.00 O +ATOM 1041 CB TYR A 65 4.093 0.740 8.898 1.00 0.00 C +ATOM 1042 CG TYR A 65 5.252 -0.158 9.286 1.00 0.00 C +ATOM 1043 CD1 TYR A 65 5.231 -0.888 10.469 1.00 0.00 C +ATOM 1044 CD2 TYR A 65 6.365 -0.278 8.463 1.00 0.00 C +ATOM 1045 CE1 TYR A 65 6.284 -1.710 10.820 1.00 0.00 C +ATOM 1046 CE2 TYR A 65 7.423 -1.098 8.808 1.00 0.00 C +ATOM 1047 CZ TYR A 65 7.377 -1.812 9.987 1.00 0.00 C +ATOM 1048 OH TYR A 65 8.428 -2.630 10.333 1.00 0.00 O +ATOM 1049 H TYR A 65 2.011 1.755 8.140 1.00 0.00 H +ATOM 1050 HA TYR A 65 3.035 -0.582 7.718 1.00 0.00 H +ATOM 1051 HB2 TYR A 65 4.372 1.314 8.168 1.00 0.00 H +ATOM 1052 HB3 TYR A 65 3.879 1.317 9.648 1.00 0.00 H +ATOM 1053 HD1 TYR A 65 4.495 -0.822 11.034 1.00 0.00 H +ATOM 1054 HD2 TYR A 65 6.399 0.201 7.667 1.00 0.00 H +ATOM 1055 HE1 TYR A 65 6.256 -2.192 11.615 1.00 0.00 H +ATOM 1056 HE2 TYR A 65 8.162 -1.168 8.248 1.00 0.00 H +ATOM 1057 HH TYR A 65 8.265 -2.999 11.070 1.00 0.00 H +ATOM 1058 N ALA A 66 1.495 -0.342 10.495 1.00 0.00 N +ATOM 1059 CA ALA A 66 0.960 -1.074 11.645 1.00 0.00 C +ATOM 1060 C ALA A 66 0.194 -2.328 11.227 1.00 0.00 C +ATOM 1061 O ALA A 66 0.555 -3.438 11.619 1.00 0.00 O +ATOM 1062 CB ALA A 66 0.068 -0.168 12.484 1.00 0.00 C +ATOM 1063 H ALA A 66 1.223 0.472 10.438 1.00 0.00 H +ATOM 1064 HA ALA A 66 1.718 -1.361 12.178 1.00 0.00 H +ATOM 1065 HB1 ALA A 66 -0.279 -0.666 13.241 1.00 0.00 H +ATOM 1066 HB2 ALA A 66 0.584 0.588 12.804 1.00 0.00 H +ATOM 1067 HB3 ALA A 66 -0.670 0.151 11.942 1.00 0.00 H +ATOM 1068 N GLN A 67 -0.868 -2.146 10.441 1.00 0.00 N +ATOM 1069 CA GLN A 67 -1.687 -3.269 9.985 1.00 0.00 C +ATOM 1070 C GLN A 67 -0.899 -4.201 9.059 1.00 0.00 C +ATOM 1071 O GLN A 67 -1.072 -5.420 9.111 1.00 0.00 O +ATOM 1072 CB GLN A 67 -2.954 -2.768 9.281 1.00 0.00 C +ATOM 1073 CG GLN A 67 -4.044 -2.256 10.219 1.00 0.00 C +ATOM 1074 CD GLN A 67 -3.647 -1.009 10.993 1.00 0.00 C +ATOM 1075 OE1 GLN A 67 -2.808 -1.061 11.892 1.00 0.00 O +ATOM 1076 NE2 GLN A 67 -4.250 0.123 10.646 1.00 0.00 N +ATOM 1077 H GLN A 67 -1.131 -1.377 10.160 1.00 0.00 H +ATOM 1078 HA GLN A 67 -1.946 -3.777 10.770 1.00 0.00 H +ATOM 1079 HB2 GLN A 67 -2.710 -2.056 8.670 1.00 0.00 H +ATOM 1080 HB3 GLN A 67 -3.318 -3.490 8.745 1.00 0.00 H +ATOM 1081 HG2 GLN A 67 -4.842 -2.066 9.701 1.00 0.00 H +ATOM 1082 HG3 GLN A 67 -4.275 -2.958 10.848 1.00 0.00 H +ATOM 1083 HE21 GLN A 67 -4.832 0.124 10.013 1.00 0.00 H +ATOM 1084 HE22 GLN A 67 -4.058 0.855 11.055 1.00 0.00 H +ATOM 1085 N VAL A 68 -0.029 -3.628 8.221 1.00 0.00 N +ATOM 1086 CA VAL A 68 0.789 -4.422 7.300 1.00 0.00 C +ATOM 1087 C VAL A 68 1.766 -5.307 8.076 1.00 0.00 C +ATOM 1088 O VAL A 68 1.914 -6.491 7.774 1.00 0.00 O +ATOM 1089 CB VAL A 68 1.573 -3.522 6.314 1.00 0.00 C +ATOM 1090 CG1 VAL A 68 2.536 -4.346 5.470 1.00 0.00 C +ATOM 1091 CG2 VAL A 68 0.617 -2.745 5.419 1.00 0.00 C +ATOM 1092 H VAL A 68 0.102 -2.779 8.171 1.00 0.00 H +ATOM 1093 HA VAL A 68 0.185 -4.982 6.787 1.00 0.00 H +ATOM 1094 HB VAL A 68 2.091 -2.890 6.836 1.00 0.00 H +ATOM 1095 HG11 VAL A 68 3.015 -3.762 4.861 1.00 0.00 H +ATOM 1096 HG12 VAL A 68 3.170 -4.797 6.049 1.00 0.00 H +ATOM 1097 HG13 VAL A 68 2.038 -5.005 4.961 1.00 0.00 H +ATOM 1098 HG21 VAL A 68 1.125 -2.188 4.809 1.00 0.00 H +ATOM 1099 HG22 VAL A 68 0.072 -3.366 4.911 1.00 0.00 H +ATOM 1100 HG23 VAL A 68 0.044 -2.185 5.966 1.00 0.00 H +ATOM 1101 N ALA A 69 2.419 -4.723 9.084 1.00 0.00 N +ATOM 1102 CA ALA A 69 3.371 -5.453 9.922 1.00 0.00 C +ATOM 1103 C ALA A 69 2.740 -6.704 10.541 1.00 0.00 C +ATOM 1104 O ALA A 69 3.428 -7.700 10.775 1.00 0.00 O +ATOM 1105 CB ALA A 69 3.920 -4.544 11.013 1.00 0.00 C +ATOM 1106 H ALA A 69 2.322 -3.896 9.299 1.00 0.00 H +ATOM 1107 HA ALA A 69 4.101 -5.743 9.352 1.00 0.00 H +ATOM 1108 HB1 ALA A 69 4.549 -5.039 11.561 1.00 0.00 H +ATOM 1109 HB2 ALA A 69 4.371 -3.787 10.607 1.00 0.00 H +ATOM 1110 HB3 ALA A 69 3.190 -4.226 11.567 1.00 0.00 H +ATOM 1111 N ARG A 70 1.428 -6.649 10.798 1.00 0.00 N +ATOM 1112 CA ARG A 70 0.704 -7.778 11.383 1.00 0.00 C +ATOM 1113 C ARG A 70 0.562 -8.904 10.365 1.00 0.00 C +ATOM 1114 O ARG A 70 0.673 -10.078 10.703 1.00 0.00 O +ATOM 1115 CB ARG A 70 -0.674 -7.325 11.874 1.00 0.00 C +ATOM 1116 CG ARG A 70 -0.608 -6.193 12.888 1.00 0.00 C +ATOM 1117 CD ARG A 70 -1.994 -5.725 13.299 1.00 0.00 C +ATOM 1118 NE ARG A 70 -1.944 -4.546 14.169 1.00 0.00 N +ATOM 1119 CZ ARG A 70 -1.456 -4.545 15.414 1.00 0.00 C +ATOM 1120 NH1 ARG A 70 -1.022 -5.671 15.975 1.00 0.00 N +ATOM 1121 NH2 ARG A 70 -1.416 -3.412 16.107 1.00 0.00 N +ATOM 1122 H ARG A 70 0.938 -5.960 10.638 1.00 0.00 H +ATOM 1123 HA ARG A 70 1.209 -8.112 12.141 1.00 0.00 H +ATOM 1124 HB2 ARG A 70 -1.204 -7.039 11.113 1.00 0.00 H +ATOM 1125 HB3 ARG A 70 -1.134 -8.081 12.272 1.00 0.00 H +ATOM 1126 HG2 ARG A 70 -0.120 -6.489 13.672 1.00 0.00 H +ATOM 1127 HG3 ARG A 70 -0.114 -5.449 12.511 1.00 0.00 H +ATOM 1128 HD2 ARG A 70 -2.512 -5.518 12.506 1.00 0.00 H +ATOM 1129 HD3 ARG A 70 -2.454 -6.445 13.758 1.00 0.00 H +ATOM 1130 HE ARG A 70 -2.249 -3.805 13.858 1.00 0.00 H +ATOM 1131 HH11 ARG A 70 -1.054 -6.410 15.536 1.00 0.00 H +ATOM 1132 HH12 ARG A 70 -0.710 -5.660 16.776 1.00 0.00 H +ATOM 1133 HH21 ARG A 70 -1.703 -2.682 15.755 1.00 0.00 H +ATOM 1134 HH22 ARG A 70 -1.103 -3.409 16.908 1.00 0.00 H +ATOM 1135 N LEU A 71 0.318 -8.528 9.114 1.00 0.00 N +ATOM 1136 CA LEU A 71 0.170 -9.488 8.025 1.00 0.00 C +ATOM 1137 C LEU A 71 1.481 -10.225 7.729 1.00 0.00 C +ATOM 1138 O LEU A 71 1.481 -11.428 7.465 1.00 0.00 O +ATOM 1139 CB LEU A 71 -0.295 -8.767 6.754 1.00 0.00 C +ATOM 1140 CG LEU A 71 -1.633 -8.041 6.862 1.00 0.00 C +ATOM 1141 CD1 LEU A 71 -1.907 -7.229 5.608 1.00 0.00 C +ATOM 1142 CD2 LEU A 71 -2.758 -9.028 7.128 1.00 0.00 C +ATOM 1143 H LEU A 71 0.233 -7.707 8.872 1.00 0.00 H +ATOM 1144 HA LEU A 71 -0.490 -10.142 8.304 1.00 0.00 H +ATOM 1145 HB2 LEU A 71 0.385 -8.124 6.499 1.00 0.00 H +ATOM 1146 HB3 LEU A 71 -0.354 -9.416 6.036 1.00 0.00 H +ATOM 1147 HG LEU A 71 -1.588 -7.427 7.612 1.00 0.00 H +ATOM 1148 HD11 LEU A 71 -2.760 -6.776 5.696 1.00 0.00 H +ATOM 1149 HD12 LEU A 71 -1.203 -6.572 5.487 1.00 0.00 H +ATOM 1150 HD13 LEU A 71 -1.933 -7.820 4.839 1.00 0.00 H +ATOM 1151 HD21 LEU A 71 -3.599 -8.550 7.194 1.00 0.00 H +ATOM 1152 HD22 LEU A 71 -2.806 -9.668 6.401 1.00 0.00 H +ATOM 1153 HD23 LEU A 71 -2.587 -9.497 7.960 1.00 0.00 H +ATOM 1154 N PHE A 72 2.585 -9.472 7.714 1.00 0.00 N +ATOM 1155 CA PHE A 72 3.900 -10.010 7.382 1.00 0.00 C +ATOM 1156 C PHE A 72 4.681 -10.526 8.598 1.00 0.00 C +ATOM 1157 O PHE A 72 5.882 -10.273 8.719 1.00 0.00 O +ATOM 1158 CB PHE A 72 4.685 -8.922 6.652 1.00 0.00 C +ATOM 1159 CG PHE A 72 4.052 -8.502 5.350 1.00 0.00 C +ATOM 1160 CD1 PHE A 72 2.714 -8.137 5.295 1.00 0.00 C +ATOM 1161 CD2 PHE A 72 4.787 -8.485 4.182 1.00 0.00 C +ATOM 1162 CE1 PHE A 72 2.126 -7.771 4.109 1.00 0.00 C +ATOM 1163 CE2 PHE A 72 4.202 -8.112 2.987 1.00 0.00 C +ATOM 1164 CZ PHE A 72 2.866 -7.757 2.953 1.00 0.00 C +ATOM 1165 H PHE A 72 2.588 -8.632 7.897 1.00 0.00 H +ATOM 1166 HA PHE A 72 3.773 -10.788 6.816 1.00 0.00 H +ATOM 1167 HB2 PHE A 72 4.766 -8.147 7.230 1.00 0.00 H +ATOM 1168 HB3 PHE A 72 5.584 -9.242 6.479 1.00 0.00 H +ATOM 1169 HD1 PHE A 72 2.207 -8.140 6.075 1.00 0.00 H +ATOM 1170 HD2 PHE A 72 5.685 -8.727 4.199 1.00 0.00 H +ATOM 1171 HE1 PHE A 72 1.227 -7.533 4.089 1.00 0.00 H +ATOM 1172 HE2 PHE A 72 4.707 -8.100 2.206 1.00 0.00 H +ATOM 1173 HZ PHE A 72 2.470 -7.509 2.149 1.00 0.00 H +ATOM 1174 N LYS A 73 4.005 -11.260 9.484 1.00 0.00 N +ATOM 1175 CA LYS A 73 4.650 -11.823 10.674 1.00 0.00 C +ATOM 1176 C LYS A 73 5.921 -12.607 10.320 1.00 0.00 C +ATOM 1177 O LYS A 73 7.030 -12.132 10.569 1.00 0.00 O +ATOM 1178 CB LYS A 73 3.669 -12.704 11.454 1.00 0.00 C +ATOM 1179 CG LYS A 73 2.552 -11.907 12.104 1.00 0.00 C +ATOM 1180 CD LYS A 73 1.507 -12.799 12.756 1.00 0.00 C +ATOM 1181 CE LYS A 73 2.095 -13.634 13.885 1.00 0.00 C +ATOM 1182 NZ LYS A 73 2.630 -12.789 14.990 1.00 0.00 N +ATOM 1183 H LYS A 73 3.168 -11.445 9.414 1.00 0.00 H +ATOM 1184 HA LYS A 73 4.917 -11.080 11.238 1.00 0.00 H +ATOM 1185 HB2 LYS A 73 3.284 -13.362 10.854 1.00 0.00 H +ATOM 1186 HB3 LYS A 73 4.153 -13.192 12.138 1.00 0.00 H +ATOM 1187 HG2 LYS A 73 2.928 -11.313 12.772 1.00 0.00 H +ATOM 1188 HG3 LYS A 73 2.125 -11.348 11.436 1.00 0.00 H +ATOM 1189 HD2 LYS A 73 0.785 -12.251 13.102 1.00 0.00 H +ATOM 1190 HD3 LYS A 73 1.121 -13.386 12.087 1.00 0.00 H +ATOM 1191 HE2 LYS A 73 1.413 -14.228 14.235 1.00 0.00 H +ATOM 1192 HE3 LYS A 73 2.806 -14.194 13.535 1.00 0.00 H +ATOM 1193 HZ1 LYS A 73 2.803 -13.300 15.698 1.00 0.00 H +ATOM 1194 HZ2 LYS A 73 3.379 -12.390 14.723 1.00 0.00 H +ATOM 1195 HZ3 LYS A 73 2.028 -12.172 15.210 1.00 0.00 H +ATOM 1196 N ASN A 74 5.760 -13.811 9.751 1.00 0.00 N +ATOM 1197 CA ASN A 74 6.915 -14.644 9.385 1.00 0.00 C +ATOM 1198 C ASN A 74 7.489 -14.312 7.993 1.00 0.00 C +ATOM 1199 O ASN A 74 8.083 -15.174 7.341 1.00 0.00 O +ATOM 1200 CB ASN A 74 6.586 -16.148 9.512 1.00 0.00 C +ATOM 1201 CG ASN A 74 5.456 -16.658 8.614 1.00 0.00 C +ATOM 1202 OD1 ASN A 74 5.058 -17.817 8.725 1.00 0.00 O +ATOM 1203 ND2 ASN A 74 4.938 -15.825 7.719 1.00 0.00 N +ATOM 1204 H ASN A 74 4.995 -14.161 9.570 1.00 0.00 H +ATOM 1205 HA ASN A 74 7.614 -14.430 10.023 1.00 0.00 H +ATOM 1206 HB2 ASN A 74 7.388 -16.656 9.314 1.00 0.00 H +ATOM 1207 HB3 ASN A 74 6.353 -16.335 10.435 1.00 0.00 H +ATOM 1208 HD21 ASN A 74 4.308 -16.091 7.198 1.00 0.00 H +ATOM 1209 HD22 ASN A 74 5.233 -15.019 7.660 1.00 0.00 H +ATOM 1210 N GLN A 75 7.343 -13.054 7.560 1.00 0.00 N +ATOM 1211 CA GLN A 75 7.880 -12.605 6.270 1.00 0.00 C +ATOM 1212 C GLN A 75 8.417 -11.177 6.388 1.00 0.00 C +ATOM 1213 O GLN A 75 8.103 -10.306 5.572 1.00 0.00 O +ATOM 1214 CB GLN A 75 6.841 -12.697 5.137 1.00 0.00 C +ATOM 1215 CG GLN A 75 5.433 -12.262 5.517 1.00 0.00 C +ATOM 1216 CD GLN A 75 4.515 -13.440 5.795 1.00 0.00 C +ATOM 1217 OE1 GLN A 75 4.465 -14.396 5.019 1.00 0.00 O +ATOM 1218 NE2 GLN A 75 3.761 -13.371 6.886 1.00 0.00 N +ATOM 1219 H GLN A 75 6.933 -12.442 8.003 1.00 0.00 H +ATOM 1220 HA GLN A 75 8.607 -13.203 6.038 1.00 0.00 H +ATOM 1221 HB2 GLN A 75 7.144 -12.152 4.394 1.00 0.00 H +ATOM 1222 HB3 GLN A 75 6.807 -13.614 4.821 1.00 0.00 H +ATOM 1223 HG2 GLN A 75 5.474 -11.695 6.303 1.00 0.00 H +ATOM 1224 HG3 GLN A 75 5.059 -11.726 4.800 1.00 0.00 H +ATOM 1225 HE21 GLN A 75 3.820 -12.689 7.407 1.00 0.00 H +ATOM 1226 HE22 GLN A 75 3.214 -14.008 7.071 1.00 0.00 H +ATOM 1227 N GLU A 76 9.238 -10.958 7.420 1.00 0.00 N +ATOM 1228 CA GLU A 76 9.854 -9.654 7.686 1.00 0.00 C +ATOM 1229 C GLU A 76 10.564 -9.077 6.454 1.00 0.00 C +ATOM 1230 O GLU A 76 10.775 -7.865 6.371 1.00 0.00 O +ATOM 1231 CB GLU A 76 10.845 -9.766 8.849 1.00 0.00 C +ATOM 1232 CG GLU A 76 10.201 -10.202 10.161 1.00 0.00 C +ATOM 1233 CD GLU A 76 11.194 -10.342 11.307 1.00 0.00 C +ATOM 1234 OE1 GLU A 76 12.403 -10.100 11.094 1.00 0.00 O +ATOM 1235 OE2 GLU A 76 10.759 -10.697 12.422 1.00 0.00 O +ATOM 1236 H GLU A 76 9.454 -11.566 7.988 1.00 0.00 H +ATOM 1237 HA GLU A 76 9.137 -9.044 7.920 1.00 0.00 H +ATOM 1238 HB2 GLU A 76 11.540 -10.400 8.612 1.00 0.00 H +ATOM 1239 HB3 GLU A 76 11.277 -8.907 8.979 1.00 0.00 H +ATOM 1240 HG2 GLU A 76 9.520 -9.557 10.409 1.00 0.00 H +ATOM 1241 HG3 GLU A 76 9.752 -11.051 10.026 1.00 0.00 H +ATOM 1242 N ASP A 77 10.935 -9.942 5.502 1.00 0.00 N +ATOM 1243 CA ASP A 77 11.622 -9.501 4.288 1.00 0.00 C +ATOM 1244 C ASP A 77 10.712 -8.600 3.460 1.00 0.00 C +ATOM 1245 O ASP A 77 11.077 -7.465 3.149 1.00 0.00 O +ATOM 1246 CB ASP A 77 12.068 -10.708 3.455 1.00 0.00 C +ATOM 1247 CG ASP A 77 13.013 -11.622 4.213 1.00 0.00 C +ATOM 1248 OD1 ASP A 77 14.111 -11.162 4.592 1.00 0.00 O +ATOM 1249 OD2 ASP A 77 12.653 -12.798 4.430 1.00 0.00 O +ATOM 1250 H ASP A 77 10.796 -10.790 5.543 1.00 0.00 H +ATOM 1251 HA ASP A 77 12.408 -8.996 4.548 1.00 0.00 H +ATOM 1252 HB2 ASP A 77 11.287 -11.213 3.179 1.00 0.00 H +ATOM 1253 HB3 ASP A 77 12.504 -10.396 2.647 1.00 0.00 H +ATOM 1254 N LEU A 78 9.518 -9.098 3.127 1.00 0.00 N +ATOM 1255 CA LEU A 78 8.550 -8.312 2.363 1.00 0.00 C +ATOM 1256 C LEU A 78 8.295 -6.965 3.051 1.00 0.00 C +ATOM 1257 O LEU A 78 8.147 -5.941 2.386 1.00 0.00 O +ATOM 1258 CB LEU A 78 7.233 -9.079 2.192 1.00 0.00 C +ATOM 1259 CG LEU A 78 7.293 -10.318 1.293 1.00 0.00 C +ATOM 1260 CD1 LEU A 78 5.934 -11.009 1.251 1.00 0.00 C +ATOM 1261 CD2 LEU A 78 7.748 -9.943 -0.114 1.00 0.00 C +ATOM 1262 H LEU A 78 9.251 -9.889 3.335 1.00 0.00 H +ATOM 1263 HA LEU A 78 8.922 -8.149 1.482 1.00 0.00 H +ATOM 1264 HB2 LEU A 78 6.921 -9.352 3.069 1.00 0.00 H +ATOM 1265 HB3 LEU A 78 6.569 -8.471 1.831 1.00 0.00 H +ATOM 1266 HG LEU A 78 7.942 -10.935 1.666 1.00 0.00 H +ATOM 1267 HD11 LEU A 78 5.986 -11.791 0.679 1.00 0.00 H +ATOM 1268 HD12 LEU A 78 5.681 -11.281 2.147 1.00 0.00 H +ATOM 1269 HD13 LEU A 78 5.270 -10.396 0.900 1.00 0.00 H +ATOM 1270 HD21 LEU A 78 7.780 -10.739 -0.667 1.00 0.00 H +ATOM 1271 HD22 LEU A 78 7.123 -9.308 -0.498 1.00 0.00 H +ATOM 1272 HD23 LEU A 78 8.631 -9.543 -0.073 1.00 0.00 H +ATOM 1273 N LEU A 79 8.270 -6.974 4.391 1.00 0.00 N +ATOM 1274 CA LEU A 79 8.055 -5.751 5.170 1.00 0.00 C +ATOM 1275 C LEU A 79 9.189 -4.753 4.948 1.00 0.00 C +ATOM 1276 O LEU A 79 8.948 -3.551 4.828 1.00 0.00 O +ATOM 1277 CB LEU A 79 7.933 -6.072 6.665 1.00 0.00 C +ATOM 1278 CG LEU A 79 6.532 -6.465 7.138 1.00 0.00 C +ATOM 1279 CD1 LEU A 79 6.559 -6.875 8.603 1.00 0.00 C +ATOM 1280 CD2 LEU A 79 5.559 -5.314 6.921 1.00 0.00 C +ATOM 1281 H LEU A 79 8.376 -7.682 4.867 1.00 0.00 H +ATOM 1282 HA LEU A 79 7.225 -5.352 4.865 1.00 0.00 H +ATOM 1283 HB2 LEU A 79 8.544 -6.795 6.876 1.00 0.00 H +ATOM 1284 HB3 LEU A 79 8.224 -5.298 7.172 1.00 0.00 H +ATOM 1285 HG LEU A 79 6.231 -7.225 6.615 1.00 0.00 H +ATOM 1286 HD11 LEU A 79 5.665 -7.121 8.887 1.00 0.00 H +ATOM 1287 HD12 LEU A 79 7.153 -7.633 8.716 1.00 0.00 H +ATOM 1288 HD13 LEU A 79 6.876 -6.133 9.141 1.00 0.00 H +ATOM 1289 HD21 LEU A 79 4.676 -5.575 7.224 1.00 0.00 H +ATOM 1290 HD22 LEU A 79 5.857 -4.539 7.423 1.00 0.00 H +ATOM 1291 HD23 LEU A 79 5.524 -5.093 5.977 1.00 0.00 H +ATOM 1292 N SER A 80 10.422 -5.259 4.880 1.00 0.00 N +ATOM 1293 CA SER A 80 11.590 -4.410 4.650 1.00 0.00 C +ATOM 1294 C SER A 80 11.416 -3.607 3.360 1.00 0.00 C +ATOM 1295 O SER A 80 11.710 -2.411 3.316 1.00 0.00 O +ATOM 1296 CB SER A 80 12.861 -5.262 4.579 1.00 0.00 C +ATOM 1297 OG SER A 80 13.116 -5.903 5.817 1.00 0.00 O +ATOM 1298 H SER A 80 10.603 -6.096 4.965 1.00 0.00 H +ATOM 1299 HA SER A 80 11.674 -3.791 5.392 1.00 0.00 H +ATOM 1300 HB2 SER A 80 12.769 -5.928 3.880 1.00 0.00 H +ATOM 1301 HB3 SER A 80 13.616 -4.702 4.340 1.00 0.00 H +ATOM 1302 HG SER A 80 12.456 -6.377 6.029 1.00 0.00 H +ATOM 1303 N GLU A 81 10.916 -4.277 2.318 1.00 0.00 N +ATOM 1304 CA GLU A 81 10.672 -3.642 1.023 1.00 0.00 C +ATOM 1305 C GLU A 81 9.592 -2.559 1.148 1.00 0.00 C +ATOM 1306 O GLU A 81 9.693 -1.491 0.541 1.00 0.00 O +ATOM 1307 CB GLU A 81 10.222 -4.698 0.005 1.00 0.00 C +ATOM 1308 CG GLU A 81 10.312 -4.248 -1.443 1.00 0.00 C +ATOM 1309 CD GLU A 81 11.700 -4.430 -2.031 1.00 0.00 C +ATOM 1310 OE1 GLU A 81 12.667 -3.883 -1.463 1.00 0.00 O +ATOM 1311 OE2 GLU A 81 11.818 -5.124 -3.063 1.00 0.00 O +ATOM 1312 H GLU A 81 10.710 -5.111 2.344 1.00 0.00 H +ATOM 1313 HA GLU A 81 11.496 -3.228 0.722 1.00 0.00 H +ATOM 1314 HB2 GLU A 81 10.764 -5.494 0.120 1.00 0.00 H +ATOM 1315 HB3 GLU A 81 9.305 -4.949 0.199 1.00 0.00 H +ATOM 1316 HG2 GLU A 81 9.673 -4.749 -1.973 1.00 0.00 H +ATOM 1317 HG3 GLU A 81 10.060 -3.313 -1.503 1.00 0.00 H +ATOM 1318 N PHE A 82 8.554 -2.863 1.937 1.00 0.00 N +ATOM 1319 CA PHE A 82 7.425 -1.952 2.161 1.00 0.00 C +ATOM 1320 C PHE A 82 7.873 -0.569 2.641 1.00 0.00 C +ATOM 1321 O PHE A 82 7.485 0.449 2.064 1.00 0.00 O +ATOM 1322 CB PHE A 82 6.468 -2.561 3.191 1.00 0.00 C +ATOM 1323 CG PHE A 82 5.177 -1.808 3.343 1.00 0.00 C +ATOM 1324 CD1 PHE A 82 4.350 -1.602 2.251 1.00 0.00 C +ATOM 1325 CD2 PHE A 82 4.789 -1.313 4.577 1.00 0.00 C +ATOM 1326 CE1 PHE A 82 3.161 -0.916 2.386 1.00 0.00 C +ATOM 1327 CE2 PHE A 82 3.599 -0.624 4.718 1.00 0.00 C +ATOM 1328 CZ PHE A 82 2.785 -0.426 3.620 1.00 0.00 C +ATOM 1329 H PHE A 82 8.486 -3.609 2.360 1.00 0.00 H +ATOM 1330 HA PHE A 82 6.978 -1.835 1.308 1.00 0.00 H +ATOM 1331 HB2 PHE A 82 6.270 -3.475 2.935 1.00 0.00 H +ATOM 1332 HB3 PHE A 82 6.914 -2.598 4.052 1.00 0.00 H +ATOM 1333 HD1 PHE A 82 4.599 -1.930 1.417 1.00 0.00 H +ATOM 1334 HD2 PHE A 82 5.335 -1.446 5.318 1.00 0.00 H +ATOM 1335 HE1 PHE A 82 2.613 -0.784 1.646 1.00 0.00 H +ATOM 1336 HE2 PHE A 82 3.347 -0.295 5.550 1.00 0.00 H +ATOM 1337 HZ PHE A 82 1.984 0.037 3.712 1.00 0.00 H +ATOM 1338 N GLY A 83 8.665 -0.543 3.717 1.00 0.00 N +ATOM 1339 CA GLY A 83 9.137 0.714 4.291 1.00 0.00 C +ATOM 1340 C GLY A 83 9.791 1.664 3.291 1.00 0.00 C +ATOM 1341 O GLY A 83 9.820 2.874 3.524 1.00 0.00 O +ATOM 1342 H GLY A 83 8.939 -1.247 4.128 1.00 0.00 H +ATOM 1343 HA2 GLY A 83 8.387 1.167 4.707 1.00 0.00 H +ATOM 1344 HA3 GLY A 83 9.774 0.515 4.995 1.00 0.00 H +ATOM 1345 N GLN A 84 10.321 1.133 2.185 1.00 0.00 N +ATOM 1346 CA GLN A 84 10.974 1.970 1.171 1.00 0.00 C +ATOM 1347 C GLN A 84 9.986 2.924 0.491 1.00 0.00 C +ATOM 1348 O GLN A 84 10.389 3.957 -0.048 1.00 0.00 O +ATOM 1349 CB GLN A 84 11.668 1.105 0.116 1.00 0.00 C +ATOM 1350 CG GLN A 84 12.778 0.231 0.677 1.00 0.00 C +ATOM 1351 CD GLN A 84 13.575 -0.463 -0.410 1.00 0.00 C +ATOM 1352 OE1 GLN A 84 13.024 -1.206 -1.219 1.00 0.00 O +ATOM 1353 NE2 GLN A 84 14.882 -0.222 -0.436 1.00 0.00 N +ATOM 1354 H GLN A 84 10.313 0.293 2.003 1.00 0.00 H +ATOM 1355 HA GLN A 84 11.638 2.505 1.633 1.00 0.00 H +ATOM 1356 HB2 GLN A 84 11.007 0.539 -0.313 1.00 0.00 H +ATOM 1357 HB3 GLN A 84 12.037 1.681 -0.572 1.00 0.00 H +ATOM 1358 HG2 GLN A 84 13.375 0.776 1.214 1.00 0.00 H +ATOM 1359 HG3 GLN A 84 12.394 -0.435 1.268 1.00 0.00 H +ATOM 1360 HE21 GLN A 84 15.234 0.304 0.146 1.00 0.00 H +ATOM 1361 HE22 GLN A 84 15.376 -0.592 -1.035 1.00 0.00 H +ATOM 1362 N PHE A 85 8.696 2.581 0.521 1.00 0.00 N +ATOM 1363 CA PHE A 85 7.660 3.415 -0.090 1.00 0.00 C +ATOM 1364 C PHE A 85 7.118 4.429 0.919 1.00 0.00 C +ATOM 1365 O PHE A 85 6.703 5.527 0.546 1.00 0.00 O +ATOM 1366 CB PHE A 85 6.515 2.540 -0.609 1.00 0.00 C +ATOM 1367 CG PHE A 85 6.971 1.442 -1.527 1.00 0.00 C +ATOM 1368 CD1 PHE A 85 7.528 1.735 -2.760 1.00 0.00 C +ATOM 1369 CD2 PHE A 85 6.850 0.115 -1.148 1.00 0.00 C +ATOM 1370 CE1 PHE A 85 7.955 0.725 -3.599 1.00 0.00 C +ATOM 1371 CE2 PHE A 85 7.274 -0.898 -1.982 1.00 0.00 C +ATOM 1372 CZ PHE A 85 7.828 -0.594 -3.209 1.00 0.00 C +ATOM 1373 H PHE A 85 8.400 1.864 0.893 1.00 0.00 H +ATOM 1374 HA PHE A 85 8.057 3.896 -0.833 1.00 0.00 H +ATOM 1375 HB2 PHE A 85 6.049 2.148 0.146 1.00 0.00 H +ATOM 1376 HB3 PHE A 85 5.876 3.100 -1.078 1.00 0.00 H +ATOM 1377 HD1 PHE A 85 7.616 2.622 -3.026 1.00 0.00 H +ATOM 1378 HD2 PHE A 85 6.479 -0.095 -0.322 1.00 0.00 H +ATOM 1379 HE1 PHE A 85 8.328 0.932 -4.425 1.00 0.00 H +ATOM 1380 HE2 PHE A 85 7.187 -1.785 -1.718 1.00 0.00 H +ATOM 1381 HZ PHE A 85 8.115 -1.276 -3.772 1.00 0.00 H +ATOM 1382 N LEU A 86 7.123 4.044 2.196 1.00 0.00 N +ATOM 1383 CA LEU A 86 6.634 4.893 3.266 1.00 0.00 C +ATOM 1384 C LEU A 86 7.492 4.694 4.527 1.00 0.00 C +ATOM 1385 O LEU A 86 7.566 3.595 5.079 1.00 0.00 O +ATOM 1386 CB LEU A 86 5.162 4.561 3.513 1.00 0.00 C +ATOM 1387 CG LEU A 86 4.872 3.228 4.164 1.00 0.00 C +ATOM 1388 CD1 LEU A 86 5.009 3.331 5.675 1.00 0.00 C +ATOM 1389 CD2 LEU A 86 3.492 2.723 3.762 1.00 0.00 C +ATOM 1390 H LEU A 86 7.413 3.279 2.461 1.00 0.00 H +ATOM 1391 HA LEU A 86 6.702 5.829 3.021 1.00 0.00 H +ATOM 1392 HB2 LEU A 86 4.782 5.259 4.069 1.00 0.00 H +ATOM 1393 HB3 LEU A 86 4.697 4.591 2.662 1.00 0.00 H +ATOM 1394 HG LEU A 86 5.524 2.582 3.851 1.00 0.00 H +ATOM 1395 HD11 LEU A 86 4.820 2.469 6.077 1.00 0.00 H +ATOM 1396 HD12 LEU A 86 5.913 3.601 5.900 1.00 0.00 H +ATOM 1397 HD13 LEU A 86 4.382 3.989 6.013 1.00 0.00 H +ATOM 1398 HD21 LEU A 86 3.323 1.868 4.188 1.00 0.00 H +ATOM 1399 HD22 LEU A 86 2.819 3.362 4.043 1.00 0.00 H +ATOM 1400 HD23 LEU A 86 3.454 2.616 2.799 1.00 0.00 H +ATOM 1401 N PRO A 87 8.211 5.751 4.954 1.00 0.00 N +ATOM 1402 CA PRO A 87 9.120 5.711 6.096 1.00 0.00 C +ATOM 1403 C PRO A 87 8.589 6.343 7.377 1.00 0.00 C +ATOM 1404 O PRO A 87 9.294 6.416 8.386 1.00 0.00 O +ATOM 1405 CB PRO A 87 10.284 6.534 5.569 1.00 0.00 C +ATOM 1406 CG PRO A 87 9.671 7.531 4.619 1.00 0.00 C +ATOM 1407 CD PRO A 87 8.260 7.065 4.319 1.00 0.00 C +ATOM 1408 HA PRO A 87 9.310 4.798 6.363 1.00 0.00 H +ATOM 1409 HB2 PRO A 87 10.752 6.981 6.292 1.00 0.00 H +ATOM 1410 HB3 PRO A 87 10.933 5.973 5.116 1.00 0.00 H +ATOM 1411 HG2 PRO A 87 9.661 8.417 5.014 1.00 0.00 H +ATOM 1412 HG3 PRO A 87 10.192 7.590 3.803 1.00 0.00 H +ATOM 1413 HD2 PRO A 87 7.596 7.668 4.688 1.00 0.00 H +ATOM 1414 HD3 PRO A 87 8.094 7.010 3.365 1.00 0.00 H +ATOM 1415 N ASP A 88 7.367 6.801 7.320 1.00 0.00 N +ATOM 1416 CA ASP A 88 6.723 7.449 8.466 1.00 0.00 C +ATOM 1417 C ASP A 88 6.028 6.429 9.375 1.00 0.00 C +ATOM 1418 O ASP A 88 4.869 6.610 9.758 1.00 0.00 O +ATOM 1419 CB ASP A 88 5.727 8.511 7.984 1.00 0.00 C +ATOM 1420 CG ASP A 88 6.381 9.573 7.120 1.00 0.00 C +ATOM 1421 OD1 ASP A 88 7.277 10.282 7.624 1.00 0.00 O +ATOM 1422 OD2 ASP A 88 5.999 9.692 5.937 1.00 0.00 O +ATOM 1423 H ASP A 88 6.872 6.752 6.619 1.00 0.00 H +ATOM 1424 HA ASP A 88 7.415 7.882 8.991 1.00 0.00 H +ATOM 1425 HB2 ASP A 88 5.018 8.080 7.481 1.00 0.00 H +ATOM 1426 HB3 ASP A 88 5.313 8.934 8.752 1.00 0.00 H +ATOM 1427 N ALA A 89 6.744 5.359 9.724 1.00 0.00 N +ATOM 1428 CA ALA A 89 6.197 4.316 10.589 1.00 0.00 C +ATOM 1429 C ALA A 89 7.306 3.449 11.184 1.00 0.00 C +ATOM 1430 O ALA A 89 8.031 2.792 10.405 1.00 0.00 O +ATOM 1431 CB ALA A 89 5.207 3.458 9.815 1.00 0.00 C +ATOM 1432 OXT ALA A 89 7.442 3.437 12.425 1.00 0.00 O +ATOM 1433 H ALA A 89 7.553 5.219 9.468 1.00 0.00 H +ATOM 1434 HA ALA A 89 5.733 4.747 11.324 1.00 0.00 H +ATOM 1435 HB1 ALA A 89 4.850 2.770 10.398 1.00 0.00 H +ATOM 1436 HB2 ALA A 89 4.481 4.014 9.490 1.00 0.00 H +ATOM 1437 HB3 ALA A 89 5.657 3.043 9.063 1.00 0.00 H +TER 1438 ALA A 89 +END