Browse entries in the PDBbind-CN Database
HEADER 6AJR_COMPLEX COMPND 6AJR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 164 ALA GLY ALA GLN ASP PHE VAL PRO HIS THR ALA ASP LEU SEQRES 2 A 164 ALA GLU LEU ALA ALA ALA ALA GLY GLU CYS ARG GLY CYS SEQRES 3 A 164 GLY LEU TYR ARG ASP ALA THR GLN ALA VAL PHE GLY ALA SEQRES 4 A 164 GLY GLY ARG SER ALA ARG ILE MET MET ILE GLY GLU GLN SEQRES 5 A 164 PRO GLY ASP LYS GLU ASP LEU ALA GLY LEU PRO PHE VAL SEQRES 6 A 164 GLY PRO ALA GLY ARG LEU LEU ASP ARG ALA LEU GLU ALA SEQRES 7 A 164 ALA ASP ILE ASP ARG ASP ALA LEU TYR VAL THR ASN ALA SEQRES 8 A 164 VAL LYS HIS PHE LYS PHE THR ARG ALA ALA GLY GLY LYS SEQRES 9 A 164 ARG ARG ILE HIS LYS THR PRO SER ARG THR GLU VAL VAL SEQRES 10 A 164 ALA CYS ARG PRO TRP LEU ILE ALA GLU MET THR SER VAL SEQRES 11 A 164 GLU PRO ASP VAL VAL VAL LEU LEU GLY ALA THR ALA ALA SEQRES 12 A 164 LYS ALA LEU LEU GLY ASN ASP PHE ARG VAL THR GLN HIS SEQRES 13 A 164 ARG GLY GLU VAL LEU HIS VAL ASP SEQRES 1 A 2 VAL PRO SEQRES 1 A 38 PRO ALA LEU VAL ALA THR VAL HIS PRO SER SER LEU LEU SEQRES 2 A 38 ARG GLY PRO LYS GLU GLU ARG GLU SER ALA PHE ALA GLY SEQRES 3 A 38 LEU VAL ASP ASP LEU ARG VAL ALA ALA ASP VAL ARG HET URA A 504 12 ATOM 1 N ALA A 2 -17.155 7.076 -25.585 1.00 34.63 N ATOM 2 CA ALA A 2 -16.902 5.747 -26.131 1.00 32.67 C ATOM 3 C ALA A 2 -15.927 4.947 -25.265 1.00 28.46 C ATOM 4 O ALA A 2 -15.929 3.718 -25.312 1.00 27.57 O ATOM 5 CB ALA A 2 -16.396 5.838 -27.571 1.00 32.86 C ATOM 6 HN3 ALA A 2 -16.260 7.603 -25.531 1.00 0.00 H ATOM 7 HN2 ALA A 2 -17.564 6.986 -24.633 1.00 0.00 H ATOM 8 HN1 ALA A 2 -17.820 7.583 -26.203 1.00 0.00 H ATOM 9 N GLY A 3 -15.089 5.646 -24.495 1.00 24.81 N ATOM 10 CA GLY A 3 -14.211 4.971 -23.546 1.00 21.01 C ATOM 11 C GLY A 3 -13.261 3.989 -24.211 1.00 16.87 C ATOM 12 O GLY A 3 -12.540 4.319 -25.158 1.00 16.14 O ATOM 13 H GLY A 3 -15.062 6.683 -24.573 1.00 0.00 H ATOM 14 N ALA A 4 -13.257 2.752 -23.716 1.00 14.10 N ATOM 15 CA ALA A 4 -12.352 1.733 -24.233 1.00 14.37 C ATOM 16 C ALA A 4 -12.773 1.150 -25.576 1.00 13.45 C ATOM 17 O ALA A 4 -12.006 0.362 -26.136 1.00 14.30 O ATOM 18 CB ALA A 4 -12.220 0.573 -23.239 1.00 15.00 C ATOM 19 H ALA A 4 -13.912 2.509 -22.946 1.00 0.00 H ATOM 20 N GLN A 5 -13.960 1.487 -26.099 1.00 13.95 N ATOM 21 CA GLN A 5 -14.518 0.710 -27.208 1.00 14.91 C ATOM 22 C GLN A 5 -13.580 0.637 -28.414 1.00 15.98 C ATOM 23 O GLN A 5 -13.396 -0.443 -28.994 1.00 17.33 O ATOM 24 CB GLN A 5 -15.902 1.223 -27.603 1.00 17.94 C ATOM 25 CG GLN A 5 -16.663 0.248 -28.485 1.00 21.09 C ATOM 26 CD GLN A 5 -17.007 -1.046 -27.760 1.00 23.02 C ATOM 27 OE1 GLN A 5 -16.459 -2.115 -28.055 1.00 26.46 O ATOM 28 NE2 GLN A 5 -17.912 -0.953 -26.799 1.00 22.03 N ATOM 29 HE22 GLN A 5 -18.349 -0.034 -26.583 1.00 0.00 H ATOM 30 HE21 GLN A 5 -18.187 -1.799 -26.260 1.00 0.00 H ATOM 31 H GLN A 5 -14.485 2.300 -25.718 1.00 0.00 H ATOM 32 N ASP A 6 -12.956 1.759 -28.794 1.00 17.14 N ATOM 33 CA ASP A 6 -12.067 1.757 -29.956 1.00 19.60 C ATOM 34 C ASP A 6 -10.860 0.838 -29.753 1.00 18.91 C ATOM 35 O ASP A 6 -10.213 0.450 -30.732 1.00 20.69 O ATOM 36 CB ASP A 6 -11.530 3.171 -30.295 1.00 23.49 C ATOM 37 CG ASP A 6 -12.630 4.236 -30.550 1.00 24.68 C ATOM 38 OD1 ASP A 6 -13.772 3.868 -30.895 1.00 27.10 O ATOM 39 OD2 ASP A 6 -12.321 5.469 -30.434 1.00 23.31 O ATOM 40 H ASP A 6 -13.104 2.639 -28.259 1.00 0.00 H ATOM 41 N PHE A 7 -10.533 0.490 -28.507 1.00 15.67 N ATOM 42 CA PHE A 7 -9.358 -0.319 -28.218 1.00 14.66 C ATOM 43 C PHE A 7 -9.644 -1.818 -28.165 1.00 15.69 C ATOM 44 O PHE A 7 -8.696 -2.609 -28.095 1.00 16.52 O ATOM 45 CB PHE A 7 -8.716 0.153 -26.904 1.00 15.12 C ATOM 46 CG PHE A 7 -8.244 1.580 -26.949 1.00 15.74 C ATOM 47 CD1 PHE A 7 -7.029 1.890 -27.516 1.00 16.55 C ATOM 48 CD2 PHE A 7 -9.006 2.605 -26.415 1.00 17.12 C ATOM 49 CE1 PHE A 7 -6.582 3.207 -27.580 1.00 17.34 C ATOM 50 CE2 PHE A 7 -8.570 3.924 -26.469 1.00 16.66 C ATOM 51 CZ PHE A 7 -7.356 4.226 -27.056 1.00 17.33 C ATOM 52 H PHE A 7 -11.135 0.806 -27.720 1.00 0.00 H ATOM 53 N VAL A 8 -10.908 -2.224 -28.216 1.00 15.28 N ATOM 54 CA VAL A 8 -11.292 -3.626 -28.077 1.00 15.16 C ATOM 55 C VAL A 8 -11.293 -4.260 -29.466 1.00 16.82 C ATOM 56 O VAL A 8 -12.101 -3.851 -30.318 1.00 18.57 O ATOM 57 CB VAL A 8 -12.675 -3.752 -27.430 1.00 15.17 C ATOM 58 CG1 VAL A 8 -13.065 -5.218 -27.321 1.00 17.32 C ATOM 59 CG2 VAL A 8 -12.688 -3.074 -26.058 1.00 15.77 C ATOM 60 H VAL A 8 -11.654 -1.514 -28.361 1.00 0.00 H ATOM 61 N PRO A 9 -10.448 -5.253 -29.729 1.00 18.25 N ATOM 62 CA PRO A 9 -10.469 -5.914 -31.038 1.00 19.63 C ATOM 63 C PRO A 9 -11.700 -6.792 -31.193 1.00 21.08 C ATOM 64 O PRO A 9 -12.335 -7.210 -30.220 1.00 20.31 O ATOM 65 CB PRO A 9 -9.194 -6.763 -31.025 1.00 21.14 C ATOM 66 CG PRO A 9 -8.982 -7.080 -29.580 1.00 20.34 C ATOM 67 CD PRO A 9 -9.474 -5.869 -28.811 1.00 19.47 C ATOM 68 N HIS A 10 -12.038 -7.063 -32.456 1.00 24.87 N ATOM 69 CA HIS A 10 -13.182 -7.906 -32.802 1.00 27.81 C ATOM 70 C HIS A 10 -12.730 -9.363 -32.742 1.00 26.93 C ATOM 71 O HIS A 10 -12.426 -10.003 -33.751 1.00 27.33 O ATOM 72 CB HIS A 10 -13.717 -7.540 -34.183 1.00 33.40 C ATOM 73 CG HIS A 10 -14.531 -6.282 -34.204 1.00 38.90 C ATOM 74 ND1 HIS A 10 -14.387 -5.285 -33.263 1.00 41.79 N ATOM 75 CD2 HIS A 10 -15.489 -5.855 -35.059 1.00 41.03 C ATOM 76 CE1 HIS A 10 -15.225 -4.299 -33.535 1.00 42.45 C ATOM 77 NE2 HIS A 10 -15.906 -4.621 -34.620 1.00 42.39 N ATOM 78 H HIS A 10 -11.465 -6.659 -33.224 1.00 0.00 H ATOM 79 N THR A 11 -12.684 -9.893 -31.522 1.00 26.17 N ATOM 80 CA THR A 11 -12.227 -11.257 -31.298 1.00 24.25 C ATOM 81 C THR A 11 -12.743 -11.742 -29.954 1.00 22.10 C ATOM 82 O THR A 11 -13.021 -10.946 -29.051 1.00 22.90 O ATOM 83 CB THR A 11 -10.696 -11.366 -31.317 1.00 25.50 C ATOM 84 OG1 THR A 11 -10.315 -12.743 -31.171 1.00 26.00 O ATOM 85 CG2 THR A 11 -10.086 -10.552 -30.180 1.00 26.81 C ATOM 86 HG1 THR A 11 -9.328 -12.814 -31.183 1.00 0.00 H ATOM 87 H THR A 11 -12.982 -9.318 -30.708 1.00 0.00 H ATOM 88 N ALA A 12 -12.865 -13.059 -29.834 1.00 21.32 N ATOM 89 CA ALA A 12 -13.207 -13.681 -28.566 1.00 20.82 C ATOM 90 C ALA A 12 -12.022 -14.379 -27.922 1.00 21.51 C ATOM 91 O ALA A 12 -12.164 -14.941 -26.835 1.00 22.78 O ATOM 92 CB ALA A 12 -14.382 -14.650 -28.735 1.00 23.30 C ATOM 93 H ALA A 12 -12.712 -13.660 -30.669 1.00 0.00 H ATOM 94 N ASP A 13 -10.858 -14.348 -28.553 1.00 21.73 N ATOM 95 CA ASP A 13 -9.674 -14.979 -27.991 1.00 24.40 C ATOM 96 C ASP A 13 -9.220 -14.174 -26.778 1.00 22.42 C ATOM 97 O ASP A 13 -8.911 -12.984 -26.897 1.00 20.88 O ATOM 98 CB ASP A 13 -8.580 -15.028 -29.056 1.00 28.38 C ATOM 99 CG ASP A 13 -7.394 -15.865 -28.640 1.00 32.05 C ATOM 100 OD1 ASP A 13 -6.638 -15.420 -27.754 1.00 33.86 O ATOM 101 OD2 ASP A 13 -7.205 -16.960 -29.215 1.00 34.70 O ATOM 102 H ASP A 13 -10.789 -13.862 -29.470 1.00 0.00 H ATOM 103 N LEU A 14 -9.199 -14.816 -25.608 1.00 21.59 N ATOM 104 CA LEU A 14 -8.868 -14.096 -24.383 1.00 20.83 C ATOM 105 C LEU A 14 -7.430 -13.599 -24.395 1.00 21.79 C ATOM 106 O LEU A 14 -7.142 -12.522 -23.861 1.00 21.79 O ATOM 107 CB LEU A 14 -9.122 -14.977 -23.164 1.00 19.59 C ATOM 108 CG LEU A 14 -10.584 -15.247 -22.816 1.00 18.37 C ATOM 109 CD1 LEU A 14 -10.656 -16.317 -21.738 1.00 20.29 C ATOM 110 CD2 LEU A 14 -11.324 -13.974 -22.387 1.00 18.06 C ATOM 111 H LEU A 14 -9.419 -15.832 -25.569 1.00 0.00 H ATOM 112 N ALA A 15 -6.511 -14.373 -24.974 1.00 23.36 N ATOM 113 CA ALA A 15 -5.131 -13.912 -25.048 1.00 24.84 C ATOM 114 C ALA A 15 -5.026 -12.669 -25.919 1.00 25.15 C ATOM 115 O ALA A 15 -4.321 -11.715 -25.572 1.00 24.86 O ATOM 116 CB ALA A 15 -4.216 -15.026 -25.561 1.00 26.16 C ATOM 117 H ALA A 15 -6.777 -15.297 -25.369 1.00 0.00 H ATOM 118 N GLU A 16 -5.752 -12.648 -27.039 1.00 25.72 N ATOM 119 CA GLU A 16 -5.754 -11.468 -27.896 1.00 26.83 C ATOM 120 C GLU A 16 -6.418 -10.279 -27.207 1.00 23.77 C ATOM 121 O GLU A 16 -5.938 -9.144 -27.311 1.00 22.53 O ATOM 122 CB GLU A 16 -6.433 -11.791 -29.228 1.00 31.58 C ATOM 123 CG GLU A 16 -5.721 -12.871 -30.037 1.00 36.09 C ATOM 124 CD GLU A 16 -6.468 -13.243 -31.309 1.00 39.55 C ATOM 125 OE1 GLU A 16 -6.025 -14.183 -32.006 1.00 41.54 O ATOM 126 OE2 GLU A 16 -7.499 -12.599 -31.605 1.00 40.57 O ATOM 127 H GLU A 16 -6.320 -13.479 -27.302 1.00 0.00 H ATOM 128 N LEU A 17 -7.516 -10.514 -26.489 1.00 20.58 N ATOM 129 CA LEU A 17 -8.152 -9.420 -25.759 1.00 17.26 C ATOM 130 C LEU A 17 -7.225 -8.864 -24.680 1.00 17.83 C ATOM 131 O LEU A 17 -7.086 -7.644 -24.526 1.00 16.34 O ATOM 132 CB LEU A 17 -9.475 -9.899 -25.155 1.00 16.30 C ATOM 133 CG LEU A 17 -10.613 -10.160 -26.149 1.00 16.20 C ATOM 134 CD1 LEU A 17 -11.738 -10.937 -25.476 1.00 16.54 C ATOM 135 CD2 LEU A 17 -11.127 -8.853 -26.740 1.00 16.70 C ATOM 136 H LEU A 17 -7.918 -11.472 -26.449 1.00 0.00 H ATOM 137 N ALA A 18 -6.578 -9.747 -23.922 1.00 18.20 N ATOM 138 CA ALA A 18 -5.711 -9.286 -22.842 1.00 18.40 C ATOM 139 C ALA A 18 -4.553 -8.453 -23.374 1.00 20.83 C ATOM 140 O ALA A 18 -4.186 -7.432 -22.778 1.00 20.52 O ATOM 141 CB ALA A 18 -5.184 -10.480 -22.047 1.00 18.77 C ATOM 142 H ALA A 18 -6.690 -10.766 -24.100 1.00 0.00 H ATOM 143 N ALA A 19 -3.959 -8.877 -24.490 1.00 21.42 N ATOM 144 CA ALA A 19 -2.869 -8.105 -25.074 1.00 22.54 C ATOM 145 C ALA A 19 -3.353 -6.732 -25.519 1.00 22.82 C ATOM 146 O ALA A 19 -2.663 -5.724 -25.327 1.00 23.66 O ATOM 147 CB ALA A 19 -2.250 -8.867 -26.251 1.00 24.22 C ATOM 148 H ALA A 19 -4.273 -9.758 -24.944 1.00 0.00 H ATOM 149 N ALA A 20 -4.543 -6.673 -26.111 1.00 21.30 N ATOM 150 CA ALA A 20 -5.084 -5.388 -26.532 1.00 20.51 C ATOM 151 C ALA A 20 -5.380 -4.478 -25.345 1.00 18.71 C ATOM 152 O ALA A 20 -5.199 -3.261 -25.448 1.00 19.76 O ATOM 153 CB ALA A 20 -6.320 -5.595 -27.399 1.00 20.34 C ATOM 154 H ALA A 20 -5.087 -7.544 -26.273 1.00 0.00 H ATOM 155 N ALA A 21 -5.816 -5.038 -24.211 1.00 17.71 N ATOM 156 CA ALA A 21 -6.073 -4.203 -23.043 1.00 16.38 C ATOM 157 C ALA A 21 -4.805 -3.521 -22.547 1.00 15.85 C ATOM 158 O ALA A 21 -4.870 -2.422 -21.988 1.00 16.56 O ATOM 159 CB ALA A 21 -6.723 -5.027 -21.928 1.00 16.55 C ATOM 160 H ALA A 21 -5.971 -6.065 -24.162 1.00 0.00 H ATOM 161 N GLY A 22 -3.641 -4.140 -22.761 1.00 16.30 N ATOM 162 CA GLY A 22 -2.394 -3.498 -22.385 1.00 17.15 C ATOM 163 C GLY A 22 -2.157 -2.193 -23.109 1.00 19.64 C ATOM 164 O GLY A 22 -1.453 -1.320 -22.586 1.00 21.67 O ATOM 165 H GLY A 22 -3.628 -5.084 -23.198 1.00 0.00 H ATOM 166 N GLU A 23 -2.747 -2.032 -24.292 1.00 17.83 N ATOM 167 CA GLU A 23 -2.618 -0.825 -25.096 1.00 18.05 C ATOM 168 C GLU A 23 -3.796 0.121 -24.931 1.00 16.26 C ATOM 169 O GLU A 23 -3.847 1.150 -25.603 1.00 16.13 O ATOM 170 CB GLU A 23 -2.477 -1.213 -26.568 1.00 21.51 C ATOM 171 CG GLU A 23 -1.259 -2.065 -26.836 1.00 28.00 C ATOM 172 CD GLU A 23 -0.003 -1.449 -26.262 1.00 33.25 C ATOM 173 OE1 GLU A 23 0.659 -2.106 -25.433 1.00 36.74 O ATOM 174 OE2 GLU A 23 0.315 -0.304 -26.636 1.00 35.18 O ATOM 175 H GLU A 23 -3.331 -2.810 -24.661 1.00 0.00 H ATOM 176 N CYS A 24 -4.745 -0.199 -24.063 1.00 14.54 N ATOM 177 CA CYS A 24 -5.925 0.638 -23.921 1.00 13.78 C ATOM 178 C CYS A 24 -5.562 1.994 -23.322 1.00 14.06 C ATOM 179 O CYS A 24 -4.759 2.090 -22.388 1.00 15.57 O ATOM 180 CB CYS A 24 -6.938 -0.061 -23.016 1.00 13.38 C ATOM 181 SG CYS A 24 -8.519 0.805 -22.936 1.00 12.54 S ATOM 182 H CYS A 24 -4.645 -1.054 -23.480 1.00 0.00 H ATOM 183 N ARG A 25 -6.171 3.053 -23.865 1.00 13.81 N ATOM 184 CA ARG A 25 -6.111 4.391 -23.282 1.00 13.77 C ATOM 185 C ARG A 25 -7.515 4.943 -23.043 1.00 14.43 C ATOM 186 O ARG A 25 -7.725 6.161 -23.080 1.00 15.89 O ATOM 187 CB ARG A 25 -5.301 5.335 -24.172 1.00 15.93 C ATOM 188 CG ARG A 25 -3.864 4.855 -24.433 1.00 15.71 C ATOM 189 CD ARG A 25 -2.998 5.904 -25.162 1.00 16.49 C ATOM 190 NE ARG A 25 -3.680 6.485 -26.324 1.00 17.28 N ATOM 191 CZ ARG A 25 -3.764 5.904 -27.519 1.00 17.05 C ATOM 192 NH1 ARG A 25 -3.211 4.714 -27.734 1.00 18.70 N ATOM 193 NH2 ARG A 25 -4.417 6.505 -28.498 1.00 17.53 N ATOM 194 HE ARG A 25 -4.129 7.416 -26.206 1.00 0.00 H ATOM 195 HH12 ARG A 25 -3.283 4.269 -28.671 1.00 0.00 H ATOM 196 HH11 ARG A 25 -2.707 4.228 -26.965 1.00 0.00 H ATOM 197 HH22 ARG A 25 -4.484 6.053 -29.432 1.00 0.00 H ATOM 198 HH21 ARG A 25 -4.864 7.430 -28.334 1.00 0.00 H ATOM 199 H ARG A 25 -6.712 2.918 -24.743 1.00 0.00 H ATOM 200 N GLY A 26 -8.485 4.054 -22.802 1.00 13.20 N ATOM 201 CA GLY A 26 -9.884 4.445 -22.717 1.00 14.07 C ATOM 202 C GLY A 26 -10.220 5.389 -21.579 1.00 14.43 C ATOM 203 O GLY A 26 -11.266 6.047 -21.624 1.00 16.66 O ATOM 204 H GLY A 26 -8.232 3.054 -22.672 1.00 0.00 H ATOM 205 N CYS A 27 -9.405 5.415 -20.529 1.00 13.53 N ATOM 206 CA CYS A 27 -9.516 6.407 -19.464 1.00 14.78 C ATOM 207 C CYS A 27 -8.096 6.786 -19.045 1.00 14.83 C ATOM 208 O CYS A 27 -7.119 6.442 -19.717 1.00 16.45 O ATOM 209 CB CYS A 27 -10.432 5.931 -18.325 1.00 14.02 C ATOM 210 SG CYS A 27 -9.715 4.700 -17.205 1.00 12.47 S ATOM 211 H CYS A 27 -8.655 4.697 -20.464 1.00 0.00 H ATOM 212 N GLY A 28 -7.953 7.512 -17.943 1.00 14.84 N ATOM 213 CA GLY A 28 -6.602 7.906 -17.570 1.00 14.57 C ATOM 214 C GLY A 28 -5.827 6.879 -16.774 1.00 13.55 C ATOM 215 O GLY A 28 -4.639 7.090 -16.513 1.00 14.48 O ATOM 216 H GLY A 28 -8.774 7.789 -17.368 1.00 0.00 H ATOM 217 N LEU A 29 -6.464 5.774 -16.378 1.00 12.75 N ATOM 218 CA LEU A 29 -5.851 4.885 -15.395 1.00 11.97 C ATOM 219 C LEU A 29 -4.641 4.128 -15.931 1.00 11.48 C ATOM 220 O LEU A 29 -3.799 3.697 -15.135 1.00 11.63 O ATOM 221 CB LEU A 29 -6.897 3.931 -14.815 1.00 12.23 C ATOM 222 CG LEU A 29 -7.992 4.648 -14.021 1.00 12.39 C ATOM 223 CD1 LEU A 29 -9.001 3.630 -13.516 1.00 13.19 C ATOM 224 CD2 LEU A 29 -7.406 5.473 -12.875 1.00 13.62 C ATOM 225 H LEU A 29 -7.400 5.546 -16.771 1.00 0.00 H ATOM 226 N TYR A 30 -4.514 3.970 -17.252 1.00 11.79 N ATOM 227 CA TYR A 30 -3.346 3.281 -17.790 1.00 12.41 C ATOM 228 C TYR A 30 -2.038 4.000 -17.462 1.00 13.25 C ATOM 229 O TYR A 30 -0.980 3.362 -17.461 1.00 14.37 O ATOM 230 CB TYR A 30 -3.474 3.118 -19.311 1.00 12.53 C ATOM 231 CG TYR A 30 -3.219 4.403 -20.071 1.00 13.83 C ATOM 232 CD1 TYR A 30 -4.233 5.344 -20.250 1.00 14.72 C ATOM 233 CD2 TYR A 30 -1.955 4.688 -20.591 1.00 15.12 C ATOM 234 CE1 TYR A 30 -4.009 6.521 -20.935 1.00 14.54 C ATOM 235 CE2 TYR A 30 -1.715 5.869 -21.269 1.00 15.70 C ATOM 236 CZ TYR A 30 -2.746 6.781 -21.437 1.00 15.59 C ATOM 237 OH TYR A 30 -2.520 7.951 -22.117 1.00 19.38 O ATOM 238 HH TYR A 30 -3.355 8.482 -22.144 1.00 0.00 H ATOM 239 H TYR A 30 -5.245 4.337 -17.894 1.00 0.00 H ATOM 240 N ARG A 31 -2.076 5.308 -17.192 1.00 13.96 N ATOM 241 CA ARG A 31 -0.840 6.082 -17.111 1.00 15.89 C ATOM 242 C ARG A 31 0.030 5.650 -15.939 1.00 14.72 C ATOM 243 O ARG A 31 1.230 5.407 -16.105 1.00 16.84 O ATOM 244 CB ARG A 31 -1.153 7.575 -17.043 1.00 17.72 C ATOM 245 CG ARG A 31 -1.807 8.110 -18.301 1.00 22.17 C ATOM 246 CD ARG A 31 -1.862 9.636 -18.330 1.00 27.95 C ATOM 247 NE ARG A 31 -2.973 10.105 -19.157 1.00 32.40 N ATOM 248 CZ ARG A 31 -3.993 10.824 -18.697 1.00 34.81 C ATOM 249 NH1 ARG A 31 -4.971 11.198 -19.513 1.00 36.20 N ATOM 250 NH2 ARG A 31 -4.031 11.180 -17.421 1.00 35.58 N ATOM 251 HE ARG A 31 -2.965 9.861 -20.168 1.00 0.00 H ATOM 252 HH12 ARG A 31 -5.766 11.760 -19.148 1.00 0.00 H ATOM 253 HH11 ARG A 31 -4.942 10.929 -20.517 1.00 0.00 H ATOM 254 HH22 ARG A 31 -4.829 11.742 -17.062 1.00 0.00 H ATOM 255 HH21 ARG A 31 -3.263 10.897 -16.779 1.00 0.00 H ATOM 256 H ARG A 31 -2.991 5.778 -17.039 1.00 0.00 H ATOM 257 N ASP A 32 -0.551 5.552 -14.741 1.00 14.60 N ATOM 258 CA ASP A 32 0.252 5.293 -13.552 1.00 15.04 C ATOM 259 C ASP A 32 0.337 3.820 -13.190 1.00 14.46 C ATOM 260 O ASP A 32 1.242 3.433 -12.439 1.00 15.09 O ATOM 261 CB ASP A 32 -0.303 6.059 -12.348 1.00 16.79 C ATOM 262 CG ASP A 32 -0.102 7.557 -12.463 1.00 21.60 C ATOM 263 OD1 ASP A 32 0.571 8.005 -13.419 1.00 23.64 O ATOM 264 OD2 ASP A 32 -0.615 8.279 -11.586 1.00 24.26 O ATOM 265 H ASP A 32 -1.582 5.661 -14.655 1.00 0.00 H ATOM 266 N ALA A 33 -0.576 2.997 -13.689 1.00 13.93 N ATOM 267 CA ALA A 33 -0.561 1.568 -13.408 1.00 12.74 C ATOM 268 C ALA A 33 0.611 0.898 -14.124 1.00 13.02 C ATOM 269 O ALA A 33 1.140 1.402 -15.117 1.00 15.66 O ATOM 270 CB ALA A 33 -1.888 0.945 -13.847 1.00 12.07 C ATOM 271 H ALA A 33 -1.325 3.384 -14.299 1.00 0.00 H ATOM 272 N THR A 34 1.028 -0.254 -13.598 1.00 12.29 N ATOM 273 CA THR A 34 2.137 -0.978 -14.213 1.00 12.97 C ATOM 274 C THR A 34 1.710 -1.622 -15.521 1.00 13.95 C ATOM 275 O THR A 34 2.459 -1.611 -16.507 1.00 16.08 O ATOM 276 CB THR A 34 2.652 -2.042 -13.248 1.00 13.73 C ATOM 277 OG1 THR A 34 3.032 -1.406 -12.025 1.00 14.63 O ATOM 278 CG2 THR A 34 3.847 -2.782 -13.831 1.00 15.43 C ATOM 279 HG1 THR A 34 2.246 -0.949 -11.634 1.00 0.00 H ATOM 280 H THR A 34 0.564 -0.637 -12.750 1.00 0.00 H ATOM 281 N GLN A 35 0.517 -2.199 -15.544 1.00 12.30 N ATOM 282 CA GLN A 35 0.035 -2.953 -16.687 1.00 11.74 C ATOM 283 C GLN A 35 -1.455 -3.151 -16.487 1.00 11.24 C ATOM 284 O GLN A 35 -1.972 -2.985 -15.380 1.00 11.55 O ATOM 285 CB GLN A 35 0.724 -4.318 -16.774 1.00 11.82 C ATOM 286 CG GLN A 35 0.416 -5.207 -15.576 1.00 12.77 C ATOM 287 CD GLN A 35 1.320 -6.413 -15.503 1.00 13.71 C ATOM 288 OE1 GLN A 35 1.578 -7.074 -16.509 1.00 17.62 O ATOM 289 NE2 GLN A 35 1.834 -6.692 -14.310 1.00 12.92 N ATOM 290 HE22 GLN A 35 1.587 -6.105 -13.487 1.00 0.00 H ATOM 291 HE21 GLN A 35 2.483 -7.497 -14.199 1.00 0.00 H ATOM 292 H GLN A 35 -0.098 -2.108 -14.710 1.00 0.00 H ATOM 293 N ALA A 36 -2.142 -3.501 -17.566 1.00 11.87 N ATOM 294 CA ALA A 36 -3.521 -3.943 -17.440 1.00 11.64 C ATOM 295 C ALA A 36 -3.546 -5.328 -16.808 1.00 12.02 C ATOM 296 O ALA A 36 -2.654 -6.157 -17.031 1.00 14.84 O ATOM 297 CB ALA A 36 -4.197 -3.975 -18.815 1.00 13.70 C ATOM 298 H ALA A 36 -1.694 -3.459 -18.503 1.00 0.00 H ATOM 299 N VAL A 37 -4.570 -5.579 -16.003 1.00 10.84 N ATOM 300 CA VAL A 37 -4.783 -6.896 -15.417 1.00 10.70 C ATOM 301 C VAL A 37 -6.082 -7.421 -15.996 1.00 10.08 C ATOM 302 O VAL A 37 -7.170 -6.978 -15.617 1.00 11.73 O ATOM 303 CB VAL A 37 -4.809 -6.860 -13.886 1.00 11.61 C ATOM 304 CG1 VAL A 37 -5.059 -8.264 -13.324 1.00 12.86 C ATOM 305 CG2 VAL A 37 -3.504 -6.286 -13.341 1.00 12.70 C ATOM 306 H VAL A 37 -5.240 -4.814 -15.784 1.00 0.00 H ATOM 307 N PHE A 38 -5.967 -8.324 -16.958 1.00 12.01 N ATOM 308 CA PHE A 38 -7.136 -8.902 -17.584 1.00 11.92 C ATOM 309 C PHE A 38 -7.649 -10.062 -16.735 1.00 12.65 C ATOM 310 O PHE A 38 -7.041 -10.458 -15.738 1.00 15.02 O ATOM 311 CB PHE A 38 -6.810 -9.360 -19.008 1.00 12.97 C ATOM 312 CG PHE A 38 -7.957 -9.194 -19.963 1.00 11.92 C ATOM 313 CD1 PHE A 38 -8.383 -7.923 -20.336 1.00 13.34 C ATOM 314 CD2 PHE A 38 -8.617 -10.302 -20.478 1.00 12.80 C ATOM 315 CE1 PHE A 38 -9.458 -7.765 -21.196 1.00 13.90 C ATOM 316 CE2 PHE A 38 -9.682 -10.145 -21.348 1.00 14.43 C ATOM 317 CZ PHE A 38 -10.100 -8.872 -21.703 1.00 14.49 C ATOM 318 H PHE A 38 -5.020 -8.623 -17.269 1.00 0.00 H ATOM 319 N GLY A 39 -8.783 -10.608 -17.135 1.00 13.78 N ATOM 320 CA GLY A 39 -9.318 -11.750 -16.435 1.00 14.51 C ATOM 321 C GLY A 39 -8.450 -12.987 -16.575 1.00 14.20 C ATOM 322 O GLY A 39 -7.589 -13.097 -17.456 1.00 16.74 O ATOM 323 H GLY A 39 -9.290 -10.215 -17.954 1.00 0.00 H ATOM 324 N ALA A 40 -8.680 -13.936 -15.665 1.00 13.21 N ATOM 325 CA ALA A 40 -7.950 -15.196 -15.619 1.00 14.06 C ATOM 326 C ALA A 40 -8.935 -16.361 -15.613 1.00 12.63 C ATOM 327 O ALA A 40 -9.942 -16.338 -14.902 1.00 12.98 O ATOM 328 CB ALA A 40 -7.067 -15.280 -14.379 1.00 15.72 C ATOM 329 H ALA A 40 -9.418 -13.767 -14.952 1.00 0.00 H ATOM 330 N GLY A 41 -8.639 -17.380 -16.397 1.00 13.77 N ATOM 331 CA GLY A 41 -9.519 -18.512 -16.583 1.00 14.12 C ATOM 332 C GLY A 41 -9.788 -18.730 -18.052 1.00 14.54 C ATOM 333 O GLY A 41 -9.244 -18.047 -18.915 1.00 17.18 O ATOM 334 H GLY A 41 -7.731 -17.368 -16.904 1.00 0.00 H ATOM 335 N GLY A 42 -10.656 -19.707 -18.326 1.00 15.20 N ATOM 336 CA GLY A 42 -10.905 -20.153 -19.675 1.00 15.45 C ATOM 337 C GLY A 42 -12.334 -19.898 -20.138 1.00 14.43 C ATOM 338 O GLY A 42 -13.256 -19.685 -19.341 1.00 14.07 O ATOM 339 H GLY A 42 -11.168 -20.160 -17.543 1.00 0.00 H ATOM 340 N ARG A 43 -12.514 -19.995 -21.457 1.00 14.62 N ATOM 341 CA ARG A 43 -13.805 -19.727 -22.068 1.00 15.89 C ATOM 342 C ARG A 43 -14.832 -20.820 -21.814 1.00 16.66 C ATOM 343 O ARG A 43 -16.004 -20.626 -22.154 1.00 18.48 O ATOM 344 CB ARG A 43 -13.643 -19.473 -23.568 1.00 17.09 C ATOM 345 CG ARG A 43 -12.808 -18.250 -23.865 1.00 18.44 C ATOM 346 CD ARG A 43 -12.550 -18.120 -25.344 1.00 20.02 C ATOM 347 NE ARG A 43 -13.796 -17.888 -26.067 1.00 19.17 N ATOM 348 CZ ARG A 43 -13.940 -18.020 -27.382 1.00 19.88 C ATOM 349 NH1 ARG A 43 -12.907 -18.400 -28.130 1.00 19.28 N ATOM 350 NH2 ARG A 43 -15.115 -17.774 -27.949 1.00 19.94 N ATOM 351 HE ARG A 43 -14.629 -17.599 -25.515 1.00 0.00 H ATOM 352 HH12 ARG A 43 -13.020 -18.503 -29.159 1.00 0.00 H ATOM 353 HH11 ARG A 43 -11.987 -18.594 -27.686 1.00 0.00 H ATOM 354 HH22 ARG A 43 -15.228 -17.877 -28.978 1.00 0.00 H ATOM 355 HH21 ARG A 43 -15.923 -17.478 -27.364 1.00 0.00 H ATOM 356 H ARG A 43 -11.713 -20.268 -22.061 1.00 0.00 H ATOM 357 N SER A 44 -14.440 -21.952 -21.238 1.00 15.77 N ATOM 358 CA SER A 44 -15.419 -22.958 -20.846 1.00 17.89 C ATOM 359 C SER A 44 -16.092 -22.650 -19.515 1.00 16.12 C ATOM 360 O SER A 44 -17.011 -23.375 -19.122 1.00 17.53 O ATOM 361 CB SER A 44 -14.770 -24.346 -20.794 1.00 21.76 C ATOM 362 OG SER A 44 -14.697 -24.917 -22.091 1.00 27.86 O ATOM 363 HG SER A 44 -14.275 -25.811 -22.034 1.00 0.00 H ATOM 364 H SER A 44 -13.428 -22.121 -21.066 1.00 0.00 H ATOM 365 N ALA A 45 -15.664 -21.601 -18.816 1.00 13.52 N ATOM 366 CA ALA A 45 -16.173 -21.331 -17.479 1.00 13.22 C ATOM 367 C ALA A 45 -17.675 -21.084 -17.508 1.00 13.81 C ATOM 368 O ALA A 45 -18.184 -20.325 -18.340 1.00 14.93 O ATOM 369 CB ALA A 45 -15.462 -20.108 -16.896 1.00 13.14 C ATOM 370 H ALA A 45 -14.955 -20.964 -19.232 1.00 0.00 H ATOM 371 N ARG A 46 -18.386 -21.712 -16.574 1.00 13.67 N ATOM 372 CA ARG A 46 -19.804 -21.423 -16.412 1.00 13.95 C ATOM 373 C ARG A 46 -20.056 -20.260 -15.462 1.00 12.47 C ATOM 374 O ARG A 46 -21.079 -19.576 -15.590 1.00 12.98 O ATOM 375 CB ARG A 46 -20.556 -22.669 -15.934 1.00 20.15 C ATOM 376 CG ARG A 46 -20.310 -23.049 -14.501 1.00 28.74 C ATOM 377 CD ARG A 46 -21.063 -24.310 -14.138 1.00 33.81 C ATOM 378 NE ARG A 46 -21.062 -24.549 -12.699 1.00 36.86 N ATOM 379 CZ ARG A 46 -22.138 -24.436 -11.931 1.00 40.06 C ATOM 380 NH1 ARG A 46 -23.297 -24.091 -12.473 1.00 41.23 N ATOM 381 NH2 ARG A 46 -22.058 -24.678 -10.628 1.00 40.83 N ATOM 382 HE ARG A 46 -20.166 -24.824 -12.249 1.00 0.00 H ATOM 383 HH12 ARG A 46 -24.144 -24.001 -11.876 1.00 0.00 H ATOM 384 HH11 ARG A 46 -23.360 -23.910 -13.495 1.00 0.00 H ATOM 385 HH22 ARG A 46 -22.904 -24.588 -10.030 1.00 0.00 H ATOM 386 HH21 ARG A 46 -21.150 -24.957 -10.206 1.00 0.00 H ATOM 387 H ARG A 46 -17.927 -22.412 -15.957 1.00 0.00 H ATOM 388 N ILE A 47 -19.136 -20.008 -14.537 1.00 11.31 N ATOM 389 CA ILE A 47 -19.261 -18.944 -13.553 1.00 11.10 C ATOM 390 C ILE A 47 -18.168 -17.919 -13.822 1.00 10.13 C ATOM 391 O ILE A 47 -16.979 -18.265 -13.862 1.00 11.23 O ATOM 392 CB ILE A 47 -19.136 -19.496 -12.121 1.00 13.01 C ATOM 393 CG1 ILE A 47 -20.143 -20.623 -11.866 1.00 15.84 C ATOM 394 CG2 ILE A 47 -19.291 -18.363 -11.107 1.00 14.92 C ATOM 395 CD1 ILE A 47 -19.862 -21.377 -10.582 1.00 18.88 C ATOM 396 H ILE A 47 -18.283 -20.602 -14.515 1.00 0.00 H ATOM 397 N MET A 48 -18.572 -16.661 -13.996 1.00 10.27 N ATOM 398 CA MET A 48 -17.661 -15.532 -14.048 1.00 10.90 C ATOM 399 C MET A 48 -17.788 -14.736 -12.757 1.00 10.35 C ATOM 400 O MET A 48 -18.887 -14.576 -12.228 1.00 12.59 O ATOM 401 CB MET A 48 -18.030 -14.641 -15.228 1.00 12.62 C ATOM 402 CG MET A 48 -17.188 -13.406 -15.357 1.00 14.62 C ATOM 403 SD MET A 48 -17.550 -12.505 -16.868 1.00 19.38 S ATOM 404 CE MET A 48 -17.125 -13.691 -18.113 1.00 21.75 C ATOM 405 H MET A 48 -19.591 -16.479 -14.100 1.00 0.00 H ATOM 406 N MET A 49 -16.667 -14.242 -12.243 1.00 9.74 N ATOM 407 CA MET A 49 -16.683 -13.416 -11.050 1.00 10.21 C ATOM 408 C MET A 49 -15.967 -12.117 -11.362 1.00 9.47 C ATOM 409 O MET A 49 -14.943 -12.124 -12.046 1.00 11.81 O ATOM 410 CB MET A 49 -16.016 -14.120 -9.882 1.00 13.23 C ATOM 411 CG MET A 49 -16.651 -15.479 -9.577 1.00 17.29 C ATOM 412 SD MET A 49 -16.482 -15.961 -7.867 1.00 21.90 S ATOM 413 CE MET A 49 -14.813 -15.414 -7.605 1.00 24.15 C ATOM 414 H MET A 49 -15.759 -14.452 -12.705 1.00 0.00 H ATOM 415 N ILE A 50 -16.524 -11.008 -10.880 1.00 9.09 N ATOM 416 CA ILE A 50 -16.036 -9.678 -11.229 1.00 8.59 C ATOM 417 C ILE A 50 -15.837 -8.877 -9.955 1.00 8.43 C ATOM 418 O ILE A 50 -16.796 -8.658 -9.206 1.00 9.81 O ATOM 419 CB ILE A 50 -17.021 -8.939 -12.154 1.00 10.11 C ATOM 420 CG1 ILE A 50 -17.399 -9.788 -13.376 1.00 11.49 C ATOM 421 CG2 ILE A 50 -16.432 -7.599 -12.578 1.00 10.54 C ATOM 422 CD1 ILE A 50 -18.426 -9.146 -14.292 1.00 13.37 C ATOM 423 H ILE A 50 -17.334 -11.093 -10.233 1.00 0.00 H ATOM 424 N GLY A 51 -14.608 -8.428 -9.716 1.00 8.56 N ATOM 425 CA GLY A 51 -14.314 -7.500 -8.649 1.00 8.53 C ATOM 426 C GLY A 51 -14.248 -6.065 -9.135 1.00 8.00 C ATOM 427 O GLY A 51 -14.752 -5.715 -10.208 1.00 8.81 O ATOM 428 H GLY A 51 -13.829 -8.758 -10.321 1.00 0.00 H ATOM 429 N GLU A 52 -13.632 -5.211 -8.315 1.00 8.33 N ATOM 430 CA GLU A 52 -13.582 -3.791 -8.625 1.00 7.86 C ATOM 431 C GLU A 52 -12.437 -3.463 -9.584 1.00 8.68 C ATOM 432 O GLU A 52 -12.655 -2.883 -10.655 1.00 9.39 O ATOM 433 CB GLU A 52 -13.439 -2.974 -7.340 1.00 9.06 C ATOM 434 CG GLU A 52 -13.316 -1.484 -7.618 1.00 10.93 C ATOM 435 CD GLU A 52 -13.315 -0.663 -6.361 1.00 11.81 C ATOM 436 OE1 GLU A 52 -14.391 -0.230 -5.919 1.00 13.81 O ATOM 437 OE2 GLU A 52 -12.229 -0.445 -5.802 1.00 13.42 O ATOM 438 H GLU A 52 -13.183 -5.564 -7.446 1.00 0.00 H ATOM 439 N GLN A 53 -11.206 -3.772 -9.185 1.00 8.50 N ATOM 440 CA GLN A 53 -10.013 -3.382 -9.918 1.00 8.96 C ATOM 441 C GLN A 53 -8.858 -4.205 -9.373 1.00 9.67 C ATOM 442 O GLN A 53 -8.939 -4.707 -8.247 1.00 10.23 O ATOM 443 CB GLN A 53 -9.702 -1.894 -9.700 1.00 9.80 C ATOM 444 CG GLN A 53 -9.331 -1.578 -8.263 1.00 10.79 C ATOM 445 CD GLN A 53 -8.987 -0.143 -8.079 1.00 11.24 C ATOM 446 OE1 GLN A 53 -8.067 0.353 -8.713 1.00 13.32 O ATOM 447 NE2 GLN A 53 -9.725 0.547 -7.216 1.00 12.53 N ATOM 448 HE22 GLN A 53 -10.497 0.078 -6.701 1.00 0.00 H ATOM 449 HE21 GLN A 53 -9.530 1.556 -7.056 1.00 0.00 H ATOM 450 H GLN A 53 -11.092 -4.318 -8.307 1.00 0.00 H ATOM 451 N PRO A 54 -7.778 -4.360 -10.138 1.00 11.23 N ATOM 452 CA PRO A 54 -6.579 -4.966 -9.557 1.00 12.29 C ATOM 453 C PRO A 54 -6.072 -4.054 -8.455 1.00 12.23 C ATOM 454 O PRO A 54 -6.139 -2.831 -8.580 1.00 14.58 O ATOM 455 CB PRO A 54 -5.607 -5.020 -10.740 1.00 13.79 C ATOM 456 CG PRO A 54 -6.056 -3.951 -11.671 1.00 12.10 C ATOM 457 CD PRO A 54 -7.550 -3.881 -11.516 1.00 12.85 C ATOM 458 N GLY A 55 -5.604 -4.652 -7.355 1.00 12.72 N ATOM 459 CA GLY A 55 -4.910 -3.921 -6.312 1.00 12.94 C ATOM 460 C GLY A 55 -3.402 -3.920 -6.494 1.00 11.63 C ATOM 461 O GLY A 55 -2.874 -4.254 -7.558 1.00 12.39 O ATOM 462 H GLY A 55 -5.742 -5.677 -7.243 1.00 0.00 H ATOM 463 N ASP A 56 -2.700 -3.553 -5.415 1.00 12.91 N ATOM 464 CA ASP A 56 -1.242 -3.430 -5.442 1.00 13.20 C ATOM 465 C ASP A 56 -0.579 -4.726 -5.913 1.00 13.26 C ATOM 466 O ASP A 56 0.248 -4.718 -6.837 1.00 14.07 O ATOM 467 CB ASP A 56 -0.765 -3.027 -4.039 1.00 14.53 C ATOM 468 CG ASP A 56 0.726 -2.642 -3.973 1.00 15.44 C ATOM 469 OD1 ASP A 56 1.465 -2.718 -4.973 1.00 17.68 O ATOM 470 OD2 ASP A 56 1.159 -2.236 -2.880 1.00 17.87 O ATOM 471 H ASP A 56 -3.207 -3.349 -4.530 1.00 0.00 H ATOM 472 N LYS A 57 -0.934 -5.857 -5.295 1.00 13.40 N ATOM 473 CA LYS A 57 -0.319 -7.124 -5.679 1.00 13.64 C ATOM 474 C LYS A 57 -0.676 -7.505 -7.112 1.00 12.30 C ATOM 475 O LYS A 57 0.176 -7.998 -7.859 1.00 13.38 O ATOM 476 CB LYS A 57 -0.758 -8.240 -4.730 1.00 17.04 C ATOM 477 CG LYS A 57 -0.717 -7.908 -3.260 1.00 22.22 C ATOM 478 CD LYS A 57 0.680 -7.632 -2.827 1.00 23.01 C ATOM 479 CE LYS A 57 0.828 -7.697 -1.310 1.00 23.71 C ATOM 480 NZ LYS A 57 2.223 -7.324 -0.952 1.00 22.44 N ATOM 481 HZ1 LYS A 57 2.885 -7.989 -1.401 1.00 0.00 H ATOM 482 HZ2 LYS A 57 2.419 -6.359 -1.286 1.00 0.00 H ATOM 483 HZ3 LYS A 57 2.337 -7.364 0.081 1.00 0.00 H ATOM 484 H LYS A 57 -1.649 -5.834 -4.540 1.00 0.00 H ATOM 485 N GLU A 58 -1.941 -7.329 -7.494 1.00 10.84 N ATOM 486 CA GLU A 58 -2.398 -7.726 -8.824 1.00 10.29 C ATOM 487 C GLU A 58 -1.719 -6.910 -9.915 1.00 9.27 C ATOM 488 O GLU A 58 -1.383 -7.440 -10.981 1.00 9.89 O ATOM 489 CB GLU A 58 -3.906 -7.514 -8.918 1.00 10.11 C ATOM 490 CG GLU A 58 -4.746 -8.486 -8.092 1.00 11.45 C ATOM 491 CD GLU A 58 -4.750 -8.232 -6.593 1.00 12.26 C ATOM 492 OE1 GLU A 58 -4.431 -7.103 -6.145 1.00 12.28 O ATOM 493 OE2 GLU A 58 -5.092 -9.184 -5.855 1.00 13.53 O ATOM 494 H GLU A 58 -2.617 -6.900 -6.831 1.00 0.00 H ATOM 495 N ASP A 59 -1.544 -5.611 -9.671 1.00 9.93 N ATOM 496 CA ASP A 59 -0.925 -4.723 -10.644 1.00 10.57 C ATOM 497 C ASP A 59 0.471 -5.195 -11.031 1.00 11.15 C ATOM 498 O ASP A 59 0.897 -4.997 -12.176 1.00 11.37 O ATOM 499 CB ASP A 59 -0.882 -3.317 -10.040 1.00 11.26 C ATOM 500 CG ASP A 59 -0.047 -2.348 -10.841 1.00 10.36 C ATOM 501 OD1 ASP A 59 -0.524 -1.830 -11.870 1.00 11.19 O ATOM 502 OD2 ASP A 59 1.095 -2.083 -10.419 1.00 12.11 O ATOM 503 H ASP A 59 -1.859 -5.221 -8.760 1.00 0.00 H ATOM 504 N LEU A 60 1.194 -5.817 -10.099 1.00 10.78 N ATOM 505 CA LEU A 60 2.532 -6.314 -10.385 1.00 11.28 C ATOM 506 C LEU A 60 2.561 -7.792 -10.766 1.00 11.59 C ATOM 507 O LEU A 60 3.483 -8.214 -11.466 1.00 12.79 O ATOM 508 CB LEU A 60 3.437 -6.041 -9.180 1.00 12.69 C ATOM 509 CG LEU A 60 3.776 -4.553 -9.025 1.00 13.50 C ATOM 510 CD1 LEU A 60 4.046 -4.169 -7.578 1.00 14.89 C ATOM 511 CD2 LEU A 60 4.958 -4.191 -9.911 1.00 16.67 C ATOM 512 H LEU A 60 0.794 -5.950 -9.148 1.00 0.00 H ATOM 513 N ALA A 61 1.570 -8.585 -10.340 1.00 11.34 N ATOM 514 CA ALA A 61 1.514 -9.988 -10.731 1.00 11.52 C ATOM 515 C ALA A 61 0.929 -10.167 -12.119 1.00 12.03 C ATOM 516 O ALA A 61 1.205 -11.178 -12.777 1.00 13.39 O ATOM 517 CB ALA A 61 0.667 -10.783 -9.736 1.00 12.39 C ATOM 518 H ALA A 61 0.830 -8.195 -9.722 1.00 0.00 H ATOM 519 N GLY A 62 0.096 -9.226 -12.560 1.00 12.16 N ATOM 520 CA GLY A 62 -0.600 -9.379 -13.818 1.00 12.74 C ATOM 521 C GLY A 62 -1.789 -10.313 -13.763 1.00 12.68 C ATOM 522 O GLY A 62 -2.270 -10.736 -14.816 1.00 15.30 O ATOM 523 H GLY A 62 -0.056 -8.369 -11.991 1.00 0.00 H ATOM 524 N LEU A 63 -2.283 -10.648 -12.568 1.00 11.49 N ATOM 525 CA LEU A 63 -3.350 -11.616 -12.343 1.00 12.15 C ATOM 526 C LEU A 63 -4.298 -11.062 -11.297 1.00 11.19 C ATOM 527 O LEU A 63 -3.866 -10.364 -10.375 1.00 11.20 O ATOM 528 CB LEU A 63 -2.771 -12.932 -11.801 1.00 14.48 C ATOM 529 CG LEU A 63 -1.816 -13.649 -12.746 1.00 17.71 C ATOM 530 CD1 LEU A 63 -1.058 -14.742 -12.000 1.00 18.92 C ATOM 531 CD2 LEU A 63 -2.607 -14.207 -13.908 1.00 19.29 C ATOM 532 H LEU A 63 -1.875 -10.182 -11.733 1.00 0.00 H ATOM 533 N PRO A 64 -5.587 -11.378 -11.399 1.00 11.13 N ATOM 534 CA PRO A 64 -6.555 -10.877 -10.418 1.00 10.76 C ATOM 535 C PRO A 64 -6.557 -11.697 -9.132 1.00 10.89 C ATOM 536 O PRO A 64 -6.203 -12.881 -9.109 1.00 12.06 O ATOM 537 CB PRO A 64 -7.892 -11.029 -11.153 1.00 12.61 C ATOM 538 CG PRO A 64 -7.682 -12.225 -12.058 1.00 13.31 C ATOM 539 CD PRO A 64 -6.236 -12.128 -12.494 1.00 12.45 C ATOM 540 N PHE A 65 -6.968 -11.037 -8.048 1.00 11.49 N ATOM 541 CA PHE A 65 -7.246 -11.679 -6.759 1.00 11.37 C ATOM 542 C PHE A 65 -6.098 -12.579 -6.298 1.00 11.07 C ATOM 543 O PHE A 65 -6.275 -13.768 -6.035 1.00 11.81 O ATOM 544 CB PHE A 65 -8.596 -12.408 -6.760 1.00 12.41 C ATOM 545 CG PHE A 65 -9.768 -11.478 -6.610 1.00 12.29 C ATOM 546 CD1 PHE A 65 -10.006 -10.836 -5.402 1.00 13.51 C ATOM 547 CD2 PHE A 65 -10.636 -11.249 -7.661 1.00 13.70 C ATOM 548 CE1 PHE A 65 -11.077 -9.974 -5.246 1.00 13.10 C ATOM 549 CE2 PHE A 65 -11.715 -10.381 -7.511 1.00 12.98 C ATOM 550 CZ PHE A 65 -11.933 -9.750 -6.299 1.00 13.57 C ATOM 551 H PHE A 65 -7.099 -10.008 -8.121 1.00 0.00 H ATOM 552 N VAL A 66 -4.914 -11.975 -6.152 1.00 12.08 N ATOM 553 CA VAL A 66 -3.723 -12.682 -5.680 1.00 14.05 C ATOM 554 C VAL A 66 -3.239 -12.202 -4.329 1.00 14.10 C ATOM 555 O VAL A 66 -2.288 -12.779 -3.790 1.00 17.74 O ATOM 556 CB VAL A 66 -2.578 -12.673 -6.710 1.00 16.00 C ATOM 557 CG1 VAL A 66 -2.981 -13.461 -7.950 1.00 19.21 C ATOM 558 CG2 VAL A 66 -2.173 -11.244 -7.059 1.00 17.65 C ATOM 559 H VAL A 66 -4.837 -10.964 -6.383 1.00 0.00 H ATOM 560 N GLY A 67 -3.860 -11.180 -3.758 1.00 13.46 N ATOM 561 CA GLY A 67 -3.472 -10.656 -2.470 1.00 14.61 C ATOM 562 C GLY A 67 -4.356 -11.181 -1.356 1.00 14.91 C ATOM 563 O GLY A 67 -5.016 -12.214 -1.493 1.00 14.25 O ATOM 564 H GLY A 67 -4.658 -10.738 -4.257 1.00 0.00 H ATOM 565 N PRO A 68 -4.379 -10.478 -0.222 1.00 15.60 N ATOM 566 CA PRO A 68 -5.166 -10.971 0.920 1.00 16.07 C ATOM 567 C PRO A 68 -6.646 -11.162 0.610 1.00 14.35 C ATOM 568 O PRO A 68 -7.247 -12.140 1.071 1.00 15.16 O ATOM 569 CB PRO A 68 -4.934 -9.895 1.990 1.00 17.54 C ATOM 570 CG PRO A 68 -3.629 -9.311 1.642 1.00 19.33 C ATOM 571 CD PRO A 68 -3.558 -9.312 0.141 1.00 16.73 C ATOM 572 N ALA A 69 -7.263 -10.252 -0.150 1.00 13.37 N ATOM 573 CA ALA A 69 -8.660 -10.447 -0.522 1.00 12.91 C ATOM 574 C ALA A 69 -8.826 -11.714 -1.349 1.00 12.09 C ATOM 575 O ALA A 69 -9.803 -12.449 -1.185 1.00 12.65 O ATOM 576 CB ALA A 69 -9.168 -9.224 -1.286 1.00 14.49 C ATOM 577 H ALA A 69 -6.749 -9.408 -0.475 1.00 0.00 H ATOM 578 N GLY A 70 -7.874 -11.990 -2.241 1.00 12.21 N ATOM 579 CA GLY A 70 -7.937 -13.213 -3.023 1.00 11.90 C ATOM 580 C GLY A 70 -7.794 -14.465 -2.179 1.00 12.18 C ATOM 581 O GLY A 70 -8.431 -15.484 -2.452 1.00 13.45 O ATOM 582 H GLY A 70 -7.084 -11.328 -2.377 1.00 0.00 H ATOM 583 N ARG A 71 -6.949 -14.414 -1.147 1.00 13.27 N ATOM 584 CA ARG A 71 -6.817 -15.577 -0.274 1.00 14.10 C ATOM 585 C ARG A 71 -8.090 -15.826 0.527 1.00 12.35 C ATOM 586 O ARG A 71 -8.479 -16.983 0.735 1.00 13.61 O ATOM 587 CB ARG A 71 -5.597 -15.420 0.626 1.00 16.57 C ATOM 588 CG ARG A 71 -4.313 -15.407 -0.180 1.00 20.26 C ATOM 589 CD ARG A 71 -3.089 -15.657 0.678 1.00 24.29 C ATOM 590 NE ARG A 71 -2.841 -14.553 1.595 1.00 26.67 N ATOM 591 CZ ARG A 71 -2.221 -13.422 1.266 1.00 28.59 C ATOM 592 NH1 ARG A 71 -1.783 -13.232 0.030 1.00 28.34 N ATOM 593 NH2 ARG A 71 -2.040 -12.482 2.179 1.00 30.02 N ATOM 594 HE ARG A 71 -3.172 -14.656 2.576 1.00 0.00 H ATOM 595 HH12 ARG A 71 -1.299 -12.346 -0.220 1.00 0.00 H ATOM 596 HH11 ARG A 71 -1.923 -13.969 -0.690 1.00 0.00 H ATOM 597 HH22 ARG A 71 -1.556 -11.597 1.925 1.00 0.00 H ATOM 598 HH21 ARG A 71 -2.382 -12.628 3.150 1.00 0.00 H ATOM 599 H ARG A 71 -6.391 -13.555 -0.967 1.00 0.00 H ATOM 600 N LEU A 72 -8.763 -14.761 0.976 1.00 12.36 N ATOM 601 CA LEU A 72 -10.044 -14.954 1.642 1.00 12.11 C ATOM 602 C LEU A 72 -11.079 -15.499 0.667 1.00 10.55 C ATOM 603 O LEU A 72 -11.850 -16.413 1.005 1.00 11.29 O ATOM 604 CB LEU A 72 -10.526 -13.645 2.279 1.00 13.56 C ATOM 605 CG LEU A 72 -11.814 -13.777 3.112 1.00 13.67 C ATOM 606 CD1 LEU A 72 -11.772 -12.858 4.326 1.00 15.24 C ATOM 607 CD2 LEU A 72 -13.079 -13.505 2.283 1.00 13.16 C ATOM 608 H LEU A 72 -8.375 -13.804 0.851 1.00 0.00 H ATOM 609 N LEU A 73 -11.108 -14.950 -0.552 1.00 11.24 N ATOM 610 CA LEU A 73 -12.013 -15.464 -1.571 1.00 11.30 C ATOM 611 C LEU A 73 -11.759 -16.946 -1.825 1.00 10.96 C ATOM 612 O LEU A 73 -12.709 -17.725 -1.954 1.00 11.49 O ATOM 613 CB LEU A 73 -11.858 -14.657 -2.857 1.00 12.40 C ATOM 614 CG LEU A 73 -12.764 -15.049 -4.024 1.00 13.74 C ATOM 615 CD1 LEU A 73 -14.245 -14.946 -3.658 1.00 15.75 C ATOM 616 CD2 LEU A 73 -12.439 -14.166 -5.234 1.00 16.66 C ATOM 617 H LEU A 73 -10.480 -14.151 -0.774 1.00 0.00 H ATOM 618 N ASP A 74 -10.482 -17.362 -1.892 1.00 11.46 N ATOM 619 CA ASP A 74 -10.164 -18.778 -2.070 1.00 11.69 C ATOM 620 C ASP A 74 -10.751 -19.627 -0.950 1.00 11.17 C ATOM 621 O ASP A 74 -11.277 -20.717 -1.201 1.00 12.20 O ATOM 622 CB ASP A 74 -8.647 -18.982 -2.092 1.00 13.45 C ATOM 623 CG ASP A 74 -7.990 -18.511 -3.373 1.00 19.34 C ATOM 624 OD1 ASP A 74 -8.682 -18.332 -4.390 1.00 20.63 O ATOM 625 OD2 ASP A 74 -6.754 -18.329 -3.353 1.00 22.62 O ATOM 626 H ASP A 74 -9.711 -16.668 -1.816 1.00 0.00 H ATOM 627 N ARG A 75 -10.653 -19.155 0.298 1.00 10.15 N ATOM 628 CA ARG A 75 -11.220 -19.905 1.413 1.00 11.35 C ATOM 629 C ARG A 75 -12.735 -20.038 1.269 1.00 9.68 C ATOM 630 O ARG A 75 -13.310 -21.096 1.561 1.00 11.45 O ATOM 631 CB ARG A 75 -10.847 -19.216 2.729 1.00 11.76 C ATOM 632 CG ARG A 75 -11.257 -20.011 3.975 1.00 12.40 C ATOM 633 CD ARG A 75 -10.611 -19.517 5.269 1.00 13.08 C ATOM 634 NE ARG A 75 -10.760 -18.079 5.497 1.00 14.94 N ATOM 635 CZ ARG A 75 -11.745 -17.516 6.193 1.00 14.90 C ATOM 636 NH1 ARG A 75 -12.722 -18.251 6.722 1.00 15.09 N ATOM 637 NH2 ARG A 75 -11.760 -16.200 6.344 1.00 17.02 N ATOM 638 HE ARG A 75 -10.042 -17.450 5.084 1.00 0.00 H ATOM 639 HH12 ARG A 75 -13.483 -17.793 7.263 1.00 0.00 H ATOM 640 HH11 ARG A 75 -12.724 -19.283 6.594 1.00 0.00 H ATOM 641 HH22 ARG A 75 -12.524 -15.747 6.885 1.00 0.00 H ATOM 642 HH21 ARG A 75 -11.008 -15.619 5.921 1.00 0.00 H ATOM 643 H ARG A 75 -10.171 -18.250 0.474 1.00 0.00 H ATOM 644 N ALA A 76 -13.396 -18.980 0.803 1.00 10.28 N ATOM 645 CA ALA A 76 -14.839 -19.023 0.593 1.00 10.27 C ATOM 646 C ALA A 76 -15.206 -19.940 -0.567 1.00 10.65 C ATOM 647 O ALA A 76 -16.170 -20.709 -0.469 1.00 11.48 O ATOM 648 CB ALA A 76 -15.360 -17.608 0.350 1.00 10.62 C ATOM 649 H ALA A 76 -12.874 -18.107 0.585 1.00 0.00 H ATOM 650 N LEU A 77 -14.450 -19.888 -1.671 1.00 10.58 N ATOM 651 CA LEU A 77 -14.723 -20.783 -2.792 1.00 11.51 C ATOM 652 C LEU A 77 -14.574 -22.235 -2.374 1.00 11.33 C ATOM 653 O LEU A 77 -15.404 -23.086 -2.730 1.00 12.44 O ATOM 654 CB LEU A 77 -13.772 -20.478 -3.950 1.00 11.83 C ATOM 655 CG LEU A 77 -13.992 -19.149 -4.686 1.00 12.88 C ATOM 656 CD1 LEU A 77 -12.822 -18.850 -5.623 1.00 13.22 C ATOM 657 CD2 LEU A 77 -15.301 -19.178 -5.453 1.00 14.36 C ATOM 658 H LEU A 77 -13.666 -19.208 -1.730 1.00 0.00 H ATOM 659 N GLU A 78 -13.523 -22.541 -1.611 1.00 10.93 N ATOM 660 CA GLU A 78 -13.323 -23.916 -1.175 1.00 12.26 C ATOM 661 C GLU A 78 -14.466 -24.363 -0.271 1.00 12.83 C ATOM 662 O GLU A 78 -14.970 -25.481 -0.408 1.00 13.58 O ATOM 663 CB GLU A 78 -11.962 -24.058 -0.486 1.00 14.11 C ATOM 664 CG GLU A 78 -11.449 -25.488 -0.419 1.00 15.68 C ATOM 665 CD GLU A 78 -11.978 -26.255 0.780 1.00 16.07 C ATOM 666 OE1 GLU A 78 -12.413 -25.625 1.762 1.00 15.78 O ATOM 667 OE2 GLU A 78 -11.954 -27.500 0.746 1.00 18.76 O ATOM 668 H GLU A 78 -12.849 -21.801 -1.329 1.00 0.00 H ATOM 669 N ALA A 79 -14.914 -23.488 0.638 1.00 12.66 N ATOM 670 CA ALA A 79 -16.039 -23.841 1.501 1.00 13.63 C ATOM 671 C ALA A 79 -17.323 -24.030 0.702 1.00 15.09 C ATOM 672 O ALA A 79 -18.194 -24.817 1.098 1.00 17.82 O ATOM 673 CB ALA A 79 -16.227 -22.780 2.581 1.00 13.51 C ATOM 674 H ALA A 79 -14.461 -22.556 0.730 1.00 0.00 H ATOM 675 N ALA A 80 -17.448 -23.334 -0.424 1.00 13.51 N ATOM 676 CA ALA A 80 -18.593 -23.449 -1.315 1.00 14.47 C ATOM 677 C ALA A 80 -18.445 -24.585 -2.319 1.00 16.89 C ATOM 678 O ALA A 80 -19.315 -24.735 -3.182 1.00 19.24 O ATOM 679 CB ALA A 80 -18.818 -22.123 -2.057 1.00 14.68 C ATOM 680 H ALA A 80 -16.688 -22.673 -0.682 1.00 0.00 H ATOM 681 N ASP A 81 -17.364 -25.370 -2.237 1.00 16.94 N ATOM 682 CA ASP A 81 -17.083 -26.462 -3.176 1.00 19.92 C ATOM 683 C ASP A 81 -17.019 -25.980 -4.625 1.00 19.18 C ATOM 684 O ASP A 81 -17.523 -26.636 -5.541 1.00 21.58 O ATOM 685 CB ASP A 81 -18.030 -27.656 -3.009 1.00 24.99 C ATOM 686 CG ASP A 81 -17.488 -28.921 -3.660 1.00 29.71 C ATOM 687 OD1 ASP A 81 -16.286 -29.228 -3.495 1.00 31.68 O ATOM 688 OD2 ASP A 81 -18.268 -29.612 -4.343 1.00 32.06 O ATOM 689 H ASP A 81 -16.687 -25.197 -1.467 1.00 0.00 H ATOM 690 N ILE A 82 -16.374 -24.836 -4.834 1.00 16.68 N ATOM 691 CA ILE A 82 -16.149 -24.282 -6.163 1.00 15.92 C ATOM 692 C ILE A 82 -14.650 -24.272 -6.431 1.00 15.73 C ATOM 693 O ILE A 82 -13.868 -23.775 -5.613 1.00 17.17 O ATOM 694 CB ILE A 82 -16.738 -22.865 -6.273 1.00 15.02 C ATOM 695 CG1 ILE A 82 -18.244 -22.888 -5.996 1.00 16.28 C ATOM 696 CG2 ILE A 82 -16.421 -22.251 -7.636 1.00 16.74 C ATOM 697 CD1 ILE A 82 -18.824 -21.511 -5.841 1.00 17.88 C ATOM 698 H ILE A 82 -16.013 -24.312 -4.011 1.00 0.00 H ATOM 699 N ASP A 83 -14.255 -24.809 -7.578 1.00 17.15 N ATOM 700 CA ASP A 83 -12.858 -24.851 -7.992 1.00 18.18 C ATOM 701 C ASP A 83 -12.520 -23.549 -8.707 1.00 16.53 C ATOM 702 O ASP A 83 -13.082 -23.254 -9.768 1.00 16.96 O ATOM 703 CB ASP A 83 -12.662 -26.044 -8.928 1.00 21.77 C ATOM 704 CG ASP A 83 -11.215 -26.232 -9.378 1.00 26.39 C ATOM 705 OD1 ASP A 83 -10.339 -25.416 -9.028 1.00 26.80 O ATOM 706 OD2 ASP A 83 -10.956 -27.223 -10.092 1.00 30.04 O ATOM 707 H ASP A 83 -14.973 -25.218 -8.209 1.00 0.00 H ATOM 708 N ARG A 84 -11.611 -22.765 -8.120 1.00 15.72 N ATOM 709 CA ARG A 84 -11.242 -21.491 -8.730 1.00 15.81 C ATOM 710 C ARG A 84 -10.734 -21.665 -10.157 1.00 17.08 C ATOM 711 O ARG A 84 -10.947 -20.785 -11.002 1.00 16.49 O ATOM 712 CB ARG A 84 -10.202 -20.770 -7.877 1.00 16.71 C ATOM 713 CG ARG A 84 -9.840 -19.416 -8.428 1.00 18.05 C ATOM 714 CD ARG A 84 -8.886 -18.677 -7.515 1.00 20.05 C ATOM 715 NE ARG A 84 -8.376 -17.492 -8.187 1.00 20.58 N ATOM 716 CZ ARG A 84 -7.864 -16.430 -7.574 1.00 20.60 C ATOM 717 NH1 ARG A 84 -7.789 -16.381 -6.252 1.00 19.92 N ATOM 718 NH2 ARG A 84 -7.428 -15.415 -8.295 1.00 21.51 N ATOM 719 HE ARG A 84 -8.415 -17.475 -9.226 1.00 0.00 H ATOM 720 HH12 ARG A 84 -7.386 -15.544 -5.785 1.00 0.00 H ATOM 721 HH11 ARG A 84 -8.133 -17.180 -5.682 1.00 0.00 H ATOM 722 HH22 ARG A 84 -7.025 -14.579 -7.826 1.00 0.00 H ATOM 723 HH21 ARG A 84 -7.487 -15.451 -9.333 1.00 0.00 H ATOM 724 H ARG A 84 -11.166 -23.062 -7.228 1.00 0.00 H ATOM 725 N ASP A 85 -10.079 -22.793 -10.451 1.00 18.14 N ATOM 726 CA ASP A 85 -9.540 -23.024 -11.786 1.00 20.77 C ATOM 727 C ASP A 85 -10.631 -23.160 -12.832 1.00 19.75 C ATOM 728 O ASP A 85 -10.344 -23.010 -14.024 1.00 21.42 O ATOM 729 CB ASP A 85 -8.664 -24.279 -11.820 1.00 24.75 C ATOM 730 CG ASP A 85 -7.399 -24.145 -10.987 1.00 29.61 C ATOM 731 OD1 ASP A 85 -6.858 -25.186 -10.561 1.00 31.87 O ATOM 732 OD2 ASP A 85 -6.944 -23.007 -10.758 1.00 31.96 O ATOM 733 H ASP A 85 -9.952 -23.517 -9.716 1.00 0.00 H ATOM 734 N ALA A 86 -11.868 -23.425 -12.419 1.00 16.82 N ATOM 735 CA ALA A 86 -12.991 -23.546 -13.340 1.00 17.20 C ATOM 736 C ALA A 86 -13.713 -22.228 -13.593 1.00 15.83 C ATOM 737 O ALA A 86 -14.633 -22.199 -14.414 1.00 18.29 O ATOM 738 CB ALA A 86 -13.985 -24.597 -12.837 1.00 19.71 C ATOM 739 H ALA A 86 -12.040 -23.550 -11.401 1.00 0.00 H ATOM 740 N LEU A 87 -13.331 -21.151 -12.911 1.00 13.71 N ATOM 741 CA LEU A 87 -13.992 -19.856 -13.009 1.00 12.62 C ATOM 742 C LEU A 87 -13.278 -18.977 -14.024 1.00 10.91 C ATOM 743 O LEU A 87 -12.109 -19.191 -14.348 1.00 12.93 O ATOM 744 CB LEU A 87 -13.907 -19.138 -11.663 1.00 13.31 C ATOM 745 CG LEU A 87 -14.475 -19.866 -10.452 1.00 14.08 C ATOM 746 CD1 LEU A 87 -14.286 -19.003 -9.224 1.00 16.35 C ATOM 747 CD2 LEU A 87 -15.944 -20.220 -10.658 1.00 16.51 C ATOM 748 H LEU A 87 -12.515 -21.238 -12.272 1.00 0.00 H ATOM 749 N TYR A 88 -13.975 -17.943 -14.486 1.00 10.57 N ATOM 750 CA TYR A 88 -13.328 -16.811 -15.141 1.00 9.28 C ATOM 751 C TYR A 88 -13.430 -15.626 -14.192 1.00 9.26 C ATOM 752 O TYR A 88 -14.535 -15.210 -13.837 1.00 10.88 O ATOM 753 CB TYR A 88 -13.963 -16.475 -16.493 1.00 10.16 C ATOM 754 CG TYR A 88 -13.184 -15.398 -17.204 1.00 10.44 C ATOM 755 CD1 TYR A 88 -12.029 -15.708 -17.921 1.00 11.56 C ATOM 756 CD2 TYR A 88 -13.566 -14.067 -17.122 1.00 11.75 C ATOM 757 CE1 TYR A 88 -11.298 -14.726 -18.548 1.00 12.30 C ATOM 758 CE2 TYR A 88 -12.840 -13.079 -17.760 1.00 11.88 C ATOM 759 CZ TYR A 88 -11.708 -13.415 -18.457 1.00 11.84 C ATOM 760 OH TYR A 88 -10.970 -12.450 -19.080 1.00 12.91 O ATOM 761 HH TYR A 88 -10.650 -11.796 -18.409 1.00 0.00 H ATOM 762 H TYR A 88 -15.009 -17.941 -14.378 1.00 0.00 H ATOM 763 N VAL A 89 -12.283 -15.116 -13.747 1.00 9.33 N ATOM 764 CA VAL A 89 -12.214 -14.105 -12.698 1.00 9.47 C ATOM 765 C VAL A 89 -11.640 -12.824 -13.290 1.00 9.30 C ATOM 766 O VAL A 89 -10.555 -12.843 -13.881 1.00 10.36 O ATOM 767 CB VAL A 89 -11.339 -14.598 -11.531 1.00 11.57 C ATOM 768 CG1 VAL A 89 -11.210 -13.513 -10.469 1.00 13.73 C ATOM 769 CG2 VAL A 89 -11.917 -15.891 -10.952 1.00 14.52 C ATOM 770 H VAL A 89 -11.394 -15.455 -14.168 1.00 0.00 H ATOM 771 N THR A 90 -12.347 -11.709 -13.111 1.00 9.24 N ATOM 772 CA THR A 90 -11.896 -10.444 -13.687 1.00 9.01 C ATOM 773 C THR A 90 -12.332 -9.299 -12.779 1.00 8.01 C ATOM 774 O THR A 90 -12.765 -9.516 -11.642 1.00 9.38 O ATOM 775 CB THR A 90 -12.352 -10.336 -15.150 1.00 10.86 C ATOM 776 OG1 THR A 90 -11.687 -9.241 -15.779 1.00 11.07 O ATOM 777 CG2 THR A 90 -13.870 -10.190 -15.263 1.00 12.30 C ATOM 778 HG1 THR A 90 -11.983 -9.174 -16.721 1.00 0.00 H ATOM 779 H THR A 90 -13.227 -11.739 -12.557 1.00 0.00 H ATOM 780 N ASN A 91 -12.224 -8.074 -13.293 1.00 9.05 N ATOM 781 CA ASN A 91 -12.553 -6.865 -12.550 1.00 9.07 C ATOM 782 C ASN A 91 -13.246 -5.869 -13.464 1.00 8.72 C ATOM 783 O ASN A 91 -13.036 -5.856 -14.684 1.00 10.14 O ATOM 784 CB ASN A 91 -11.299 -6.205 -11.978 1.00 9.88 C ATOM 785 CG ASN A 91 -10.696 -6.997 -10.851 1.00 10.48 C ATOM 786 OD1 ASN A 91 -11.295 -7.134 -9.789 1.00 10.66 O ATOM 787 ND2 ASN A 91 -9.515 -7.553 -11.085 1.00 12.23 N ATOM 788 HD22 ASN A 91 -9.045 -7.409 -12.001 1.00 0.00 H ATOM 789 HD21 ASN A 91 -9.059 -8.133 -10.352 1.00 0.00 H ATOM 790 H ASN A 91 -11.888 -7.977 -14.273 1.00 0.00 H ATOM 791 N ALA A 92 -14.031 -4.978 -12.845 1.00 8.00 N ATOM 792 CA ALA A 92 -14.763 -3.977 -13.613 1.00 9.43 C ATOM 793 C ALA A 92 -13.833 -2.995 -14.308 1.00 8.65 C ATOM 794 O ALA A 92 -14.140 -2.538 -15.411 1.00 9.69 O ATOM 795 CB ALA A 92 -15.725 -3.235 -12.695 1.00 10.40 C ATOM 796 H ALA A 92 -14.119 -5.000 -11.809 1.00 0.00 H ATOM 797 N VAL A 93 -12.707 -2.669 -13.690 1.00 9.37 N ATOM 798 CA VAL A 93 -11.708 -1.773 -14.255 1.00 11.14 C ATOM 799 C VAL A 93 -10.388 -2.532 -14.292 1.00 10.61 C ATOM 800 O VAL A 93 -10.111 -3.331 -13.393 1.00 12.53 O ATOM 801 CB VAL A 93 -11.652 -0.509 -13.374 1.00 16.45 C ATOM 802 CG1 VAL A 93 -10.430 0.309 -13.606 1.00 20.01 C ATOM 803 CG2 VAL A 93 -12.898 0.323 -13.641 1.00 15.90 C ATOM 804 H VAL A 93 -12.527 -3.075 -12.750 1.00 0.00 H ATOM 805 N LYS A 94 -9.594 -2.321 -15.351 1.00 9.58 N ATOM 806 CA LYS A 94 -8.443 -3.181 -15.630 1.00 10.35 C ATOM 807 C LYS A 94 -7.106 -2.570 -15.231 1.00 9.20 C ATOM 808 O LYS A 94 -6.092 -3.270 -15.274 1.00 10.65 O ATOM 809 CB LYS A 94 -8.385 -3.576 -17.121 1.00 12.88 C ATOM 810 CG LYS A 94 -9.631 -4.265 -17.693 1.00 20.83 C ATOM 811 CD LYS A 94 -10.034 -5.494 -16.922 1.00 20.46 C ATOM 812 CE LYS A 94 -10.883 -6.472 -17.778 1.00 14.46 C ATOM 813 NZ LYS A 94 -12.303 -6.416 -17.349 1.00 11.37 N ATOM 814 HZ1 LYS A 94 -12.372 -6.687 -16.347 1.00 0.00 H ATOM 815 HZ2 LYS A 94 -12.664 -5.448 -17.473 1.00 0.00 H ATOM 816 HZ3 LYS A 94 -12.865 -7.073 -17.927 1.00 0.00 H ATOM 817 H LYS A 94 -9.801 -1.527 -15.990 1.00 0.00 H ATOM 818 N HIS A 95 -7.069 -1.305 -14.852 1.00 8.63 N ATOM 819 CA HIS A 95 -5.846 -0.681 -14.378 1.00 9.91 C ATOM 820 C HIS A 95 -6.042 -0.195 -12.943 1.00 9.29 C ATOM 821 O HIS A 95 -7.065 0.397 -12.615 1.00 12.39 O ATOM 822 CB HIS A 95 -5.444 0.503 -15.263 1.00 10.39 C ATOM 823 CG HIS A 95 -4.791 0.104 -16.554 1.00 10.00 C ATOM 824 ND1 HIS A 95 -5.435 0.176 -17.772 1.00 11.16 N ATOM 825 CD2 HIS A 95 -3.543 -0.350 -16.820 1.00 11.06 C ATOM 826 CE1 HIS A 95 -4.612 -0.215 -18.731 1.00 12.30 C ATOM 827 NE2 HIS A 95 -3.458 -0.540 -18.178 1.00 11.61 N ATOM 828 H HIS A 95 -7.941 -0.740 -14.894 1.00 0.00 H ATOM 829 N PHE A 96 -5.054 -0.463 -12.099 1.00 8.84 N ATOM 830 CA PHE A 96 -5.051 -0.088 -10.689 1.00 9.92 C ATOM 831 C PHE A 96 -5.031 1.428 -10.544 1.00 9.87 C ATOM 832 O PHE A 96 -4.161 2.102 -11.106 1.00 12.08 O ATOM 833 CB PHE A 96 -3.762 -0.677 -10.121 1.00 10.78 C ATOM 834 CG PHE A 96 -3.506 -0.448 -8.648 1.00 9.88 C ATOM 835 CD1 PHE A 96 -4.511 -0.445 -7.694 1.00 10.60 C ATOM 836 CD2 PHE A 96 -2.188 -0.334 -8.219 1.00 10.38 C ATOM 837 CE1 PHE A 96 -4.188 -0.303 -6.327 1.00 11.63 C ATOM 838 CE2 PHE A 96 -1.866 -0.184 -6.902 1.00 12.26 C ATOM 839 CZ PHE A 96 -2.864 -0.170 -5.945 1.00 12.34 C ATOM 840 H PHE A 96 -4.227 -0.974 -12.467 1.00 0.00 H ATOM 841 N LYS A 97 -5.971 1.949 -9.760 1.00 9.71 N ATOM 842 CA LYS A 97 -6.098 3.362 -9.422 1.00 9.58 C ATOM 843 C LYS A 97 -5.643 3.498 -7.975 1.00 10.01 C ATOM 844 O LYS A 97 -6.202 2.850 -7.090 1.00 10.93 O ATOM 845 CB LYS A 97 -7.559 3.792 -9.570 1.00 10.86 C ATOM 846 CG LYS A 97 -7.806 5.263 -9.265 1.00 11.18 C ATOM 847 CD LYS A 97 -9.285 5.588 -9.457 1.00 11.54 C ATOM 848 CE LYS A 97 -9.584 7.065 -9.280 1.00 13.16 C ATOM 849 NZ LYS A 97 -10.982 7.367 -9.626 1.00 13.56 N ATOM 850 HZ1 LYS A 97 -11.156 7.108 -10.618 1.00 0.00 H ATOM 851 HZ2 LYS A 97 -11.616 6.822 -9.008 1.00 0.00 H ATOM 852 HZ3 LYS A 97 -11.158 8.384 -9.496 1.00 0.00 H ATOM 853 H LYS A 97 -6.672 1.296 -9.355 1.00 0.00 H ATOM 854 N PHE A 98 -4.636 4.335 -7.721 1.00 11.96 N ATOM 855 CA PHE A 98 -3.980 4.235 -6.426 1.00 12.80 C ATOM 856 C PHE A 98 -3.320 5.537 -6.003 1.00 14.02 C ATOM 857 O PHE A 98 -3.112 6.462 -6.792 1.00 15.36 O ATOM 858 CB PHE A 98 -2.921 3.127 -6.417 1.00 13.60 C ATOM 859 CG PHE A 98 -1.726 3.424 -7.279 1.00 14.24 C ATOM 860 CD1 PHE A 98 -1.746 3.140 -8.643 1.00 15.02 C ATOM 861 CD2 PHE A 98 -0.578 3.975 -6.728 1.00 14.70 C ATOM 862 CE1 PHE A 98 -0.647 3.416 -9.446 1.00 16.09 C ATOM 863 CE2 PHE A 98 0.533 4.240 -7.527 1.00 16.45 C ATOM 864 CZ PHE A 98 0.494 3.959 -8.884 1.00 17.32 C ATOM 865 H PHE A 98 -4.330 5.036 -8.425 1.00 0.00 H ATOM 866 N THR A 99 -2.915 5.547 -4.737 1.00 15.62 N ATOM 867 CA THR A 99 -1.996 6.535 -4.209 1.00 16.80 C ATOM 868 C THR A 99 -1.111 5.850 -3.177 1.00 18.10 C ATOM 869 O THR A 99 -1.249 4.652 -2.904 1.00 18.52 O ATOM 870 CB THR A 99 -2.756 7.721 -3.622 1.00 20.23 C ATOM 871 OG1 THR A 99 -1.836 8.784 -3.358 1.00 25.26 O ATOM 872 CG2 THR A 99 -3.415 7.310 -2.332 1.00 20.31 C ATOM 873 HG1 THR A 99 -2.326 9.556 -2.977 1.00 0.00 H ATOM 874 H THR A 99 -3.274 4.811 -4.096 1.00 0.00 H ATOM 875 N ARG A 100 -0.172 6.608 -2.623 1.00 18.85 N ATOM 876 CA ARG A 100 0.644 6.160 -1.508 1.00 19.67 C ATOM 877 C ARG A 100 0.498 7.151 -0.368 1.00 22.03 C ATOM 878 O ARG A 100 0.390 8.358 -0.598 1.00 22.92 O ATOM 879 CB ARG A 100 2.124 6.114 -1.888 1.00 20.58 C ATOM 880 CG ARG A 100 2.520 4.892 -2.667 1.00 19.50 C ATOM 881 CD ARG A 100 4.041 4.768 -2.728 1.00 17.59 C ATOM 882 NE ARG A 100 4.473 3.812 -3.732 1.00 17.72 N ATOM 883 CZ ARG A 100 4.651 2.520 -3.494 1.00 16.48 C ATOM 884 NH1 ARG A 100 4.404 2.022 -2.281 1.00 17.49 N ATOM 885 NH2 ARG A 100 5.045 1.722 -4.476 1.00 17.32 N ATOM 886 HE ARG A 100 4.653 4.162 -4.695 1.00 0.00 H ATOM 887 HH12 ARG A 100 4.544 1.008 -2.097 1.00 0.00 H ATOM 888 HH11 ARG A 100 4.071 2.648 -1.520 1.00 0.00 H ATOM 889 HH22 ARG A 100 5.187 0.707 -4.297 1.00 0.00 H ATOM 890 HH21 ARG A 100 5.213 2.110 -5.426 1.00 0.00 H ATOM 891 H ARG A 100 -0.014 7.563 -3.004 1.00 0.00 H ATOM 892 N ALA A 101 0.497 6.640 0.860 1.00 24.81 N ATOM 893 CA ALA A 101 0.548 7.481 2.046 1.00 27.00 C ATOM 894 C ALA A 101 1.951 7.434 2.632 1.00 27.50 C ATOM 895 O ALA A 101 2.677 6.451 2.470 1.00 27.31 O ATOM 896 CB ALA A 101 -0.452 7.003 3.098 1.00 27.60 C ATOM 897 H ALA A 101 0.459 5.607 0.976 1.00 0.00 H ATOM 898 N ALA A 102 2.336 8.514 3.305 1.00 29.05 N ATOM 899 CA ALA A 102 3.643 8.552 3.943 1.00 30.79 C ATOM 900 C ALA A 102 3.739 7.464 5.003 1.00 32.62 C ATOM 901 O ALA A 102 2.798 7.232 5.768 1.00 33.99 O ATOM 902 CB ALA A 102 3.866 9.916 4.583 1.00 31.16 C ATOM 903 H ALA A 102 1.701 9.334 3.376 1.00 0.00 H ATOM 904 N GLY A 103 4.885 6.783 5.035 1.00 32.47 N ATOM 905 CA GLY A 103 5.094 5.693 5.964 1.00 33.51 C ATOM 906 C GLY A 103 4.247 4.469 5.711 1.00 35.50 C ATOM 907 O GLY A 103 4.268 3.541 6.527 1.00 37.62 O ATOM 908 H GLY A 103 5.647 7.041 4.376 1.00 0.00 H ATOM 909 N GLY A 104 3.513 4.430 4.594 1.00 34.00 N ATOM 910 CA GLY A 104 2.596 3.339 4.338 1.00 33.64 C ATOM 911 C GLY A 104 3.288 2.056 3.921 1.00 32.73 C ATOM 912 O GLY A 104 4.453 2.029 3.528 1.00 32.71 O ATOM 913 H GLY A 104 3.602 5.197 3.897 1.00 0.00 H ATOM 914 N LYS A 105 2.528 0.967 3.994 1.00 32.66 N ATOM 915 CA LYS A 105 3.030 -0.375 3.739 1.00 33.08 C ATOM 916 C LYS A 105 2.672 -0.885 2.351 1.00 28.70 C ATOM 917 O LYS A 105 3.099 -1.983 1.978 1.00 26.88 O ATOM 918 CB LYS A 105 2.471 -1.335 4.797 1.00 37.33 C ATOM 919 CG LYS A 105 3.438 -2.397 5.285 1.00 40.76 C ATOM 920 CD LYS A 105 2.844 -3.168 6.463 1.00 42.93 C ATOM 921 CE LYS A 105 1.456 -3.717 6.139 1.00 44.86 C ATOM 922 NZ LYS A 105 1.458 -4.608 4.942 1.00 45.96 N ATOM 923 HZ1 LYS A 105 1.793 -4.074 4.115 1.00 0.00 H ATOM 924 HZ2 LYS A 105 2.090 -5.416 5.114 1.00 0.00 H ATOM 925 HZ3 LYS A 105 0.493 -4.953 4.766 1.00 0.00 H ATOM 926 H LYS A 105 1.525 1.080 4.246 1.00 0.00 H ATOM 927 N ARG A 106 1.912 -0.114 1.579 1.00 24.89 N ATOM 928 CA ARG A 106 1.366 -0.584 0.316 1.00 23.61 C ATOM 929 C ARG A 106 0.903 0.620 -0.491 1.00 20.21 C ATOM 930 O ARG A 106 0.747 1.721 0.039 1.00 21.78 O ATOM 931 CB ARG A 106 0.177 -1.517 0.564 1.00 28.62 C ATOM 932 CG ARG A 106 -1.076 -0.773 1.037 1.00 33.17 C ATOM 933 CD ARG A 106 -2.307 -1.672 1.080 1.00 37.94 C ATOM 934 NE ARG A 106 -2.349 -2.599 -0.046 1.00 41.71 N ATOM 935 CZ ARG A 106 -2.012 -3.880 0.045 1.00 44.24 C ATOM 936 NH1 ARG A 106 -1.610 -4.384 1.200 1.00 45.15 N ATOM 937 NH2 ARG A 106 -2.061 -4.658 -1.021 1.00 44.89 N ATOM 938 HE ARG A 106 -2.660 -2.237 -0.970 1.00 0.00 H ATOM 939 HH12 ARG A 106 -1.347 -5.388 1.266 1.00 0.00 H ATOM 940 HH11 ARG A 106 -1.557 -3.776 2.042 1.00 0.00 H ATOM 941 HH22 ARG A 106 -1.796 -5.661 -0.945 1.00 0.00 H ATOM 942 HH21 ARG A 106 -2.364 -4.268 -1.936 1.00 0.00 H ATOM 943 H ARG A 106 1.701 0.856 1.888 1.00 0.00 H ATOM 944 N ARG A 107 0.687 0.403 -1.783 1.00 16.29 N ATOM 945 CA ARG A 107 -0.107 1.343 -2.563 1.00 15.05 C ATOM 946 C ARG A 107 -1.571 1.106 -2.245 1.00 15.47 C ATOM 947 O ARG A 107 -2.019 -0.039 -2.205 1.00 17.51 O ATOM 948 CB ARG A 107 0.162 1.139 -4.047 1.00 14.09 C ATOM 949 CG ARG A 107 1.585 1.508 -4.419 1.00 13.89 C ATOM 950 CD ARG A 107 1.879 1.274 -5.889 1.00 14.50 C ATOM 951 NE ARG A 107 1.794 -0.141 -6.221 1.00 13.97 N ATOM 952 CZ ARG A 107 1.675 -0.604 -7.457 1.00 13.71 C ATOM 953 NH1 ARG A 107 1.690 0.242 -8.481 1.00 14.37 N ATOM 954 NH2 ARG A 107 1.550 -1.907 -7.665 1.00 13.54 N ATOM 955 HE ARG A 107 1.829 -0.829 -5.442 1.00 0.00 H ATOM 956 HH12 ARG A 107 1.597 -0.116 -9.453 1.00 0.00 H ATOM 957 HH11 ARG A 107 1.795 1.263 -8.311 1.00 0.00 H ATOM 958 HH22 ARG A 107 1.456 -2.272 -8.634 1.00 0.00 H ATOM 959 HH21 ARG A 107 1.545 -2.564 -6.859 1.00 0.00 H ATOM 960 H ARG A 107 1.086 -0.442 -2.240 1.00 0.00 H ATOM 961 N ILE A 108 -2.316 2.176 -2.001 1.00 15.82 N ATOM 962 CA ILE A 108 -3.705 2.049 -1.562 1.00 17.49 C ATOM 963 C ILE A 108 -4.666 2.320 -2.713 1.00 14.00 C ATOM 964 O ILE A 108 -4.550 3.327 -3.425 1.00 14.71 O ATOM 965 CB ILE A 108 -3.996 2.920 -0.328 1.00 23.70 C ATOM 966 CG1 ILE A 108 -5.433 2.714 0.156 1.00 27.95 C ATOM 967 CG2 ILE A 108 -3.718 4.351 -0.626 1.00 26.71 C ATOM 968 CD1 ILE A 108 -5.554 2.588 1.668 1.00 30.22 C ATOM 969 H ILE A 108 -1.904 3.123 -2.124 1.00 0.00 H ATOM 970 N HIS A 109 -5.608 1.410 -2.908 1.00 13.52 N ATOM 971 CA HIS A 109 -6.525 1.572 -4.020 1.00 13.31 C ATOM 972 C HIS A 109 -7.485 2.730 -3.776 1.00 12.93 C ATOM 973 O HIS A 109 -7.847 3.044 -2.640 1.00 13.95 O ATOM 974 CB HIS A 109 -7.277 0.265 -4.310 1.00 17.15 C ATOM 975 CG HIS A 109 -8.033 -0.285 -3.134 1.00 23.31 C ATOM 976 ND1 HIS A 109 -9.314 0.113 -2.828 1.00 25.18 N ATOM 977 CD2 HIS A 109 -7.702 -1.224 -2.216 1.00 25.28 C ATOM 978 CE1 HIS A 109 -9.735 -0.540 -1.758 1.00 27.13 C ATOM 979 NE2 HIS A 109 -8.774 -1.360 -1.368 1.00 28.27 N ATOM 980 H HIS A 109 -5.689 0.591 -2.273 1.00 0.00 H ATOM 981 N LYS A 110 -7.860 3.392 -4.862 1.00 11.89 N ATOM 982 CA LYS A 110 -8.856 4.450 -4.837 1.00 12.17 C ATOM 983 C LYS A 110 -10.029 4.055 -5.718 1.00 11.22 C ATOM 984 O LYS A 110 -9.867 3.362 -6.725 1.00 12.16 O ATOM 985 CB LYS A 110 -8.246 5.758 -5.334 1.00 15.01 C ATOM 986 CG LYS A 110 -7.185 6.317 -4.392 1.00 18.39 C ATOM 987 CD LYS A 110 -7.785 6.551 -3.004 1.00 25.06 C ATOM 988 CE LYS A 110 -6.742 6.901 -1.971 1.00 28.67 C ATOM 989 NZ LYS A 110 -7.304 7.043 -0.584 1.00 31.20 N ATOM 990 HZ1 LYS A 110 -8.019 7.798 -0.577 1.00 0.00 H ATOM 991 HZ2 LYS A 110 -7.743 6.145 -0.296 1.00 0.00 H ATOM 992 HZ3 LYS A 110 -6.537 7.283 0.076 1.00 0.00 H ATOM 993 H LYS A 110 -7.422 3.143 -5.772 1.00 0.00 H ATOM 994 N THR A 111 -11.208 4.506 -5.334 1.00 10.96 N ATOM 995 CA THR A 111 -12.421 4.013 -5.967 1.00 11.81 C ATOM 996 C THR A 111 -12.527 4.545 -7.392 1.00 11.09 C ATOM 997 O THR A 111 -12.413 5.758 -7.606 1.00 12.20 O ATOM 998 CB THR A 111 -13.627 4.491 -5.162 1.00 13.85 C ATOM 999 OG1 THR A 111 -13.524 3.992 -3.824 1.00 17.03 O ATOM 1000 CG2 THR A 111 -14.933 4.008 -5.799 1.00 15.35 C ATOM 1001 HG1 THR A 111 -13.506 3.002 -3.843 1.00 0.00 H ATOM 1002 H THR A 111 -11.270 5.216 -4.577 1.00 0.00 H ATOM 1003 N PRO A 112 -12.744 3.685 -8.386 1.00 11.21 N ATOM 1004 CA PRO A 112 -12.996 4.187 -9.742 1.00 12.18 C ATOM 1005 C PRO A 112 -14.240 5.062 -9.777 1.00 11.19 C ATOM 1006 O PRO A 112 -15.251 4.769 -9.127 1.00 12.50 O ATOM 1007 CB PRO A 112 -13.207 2.908 -10.565 1.00 12.72 C ATOM 1008 CG PRO A 112 -12.536 1.799 -9.766 1.00 13.92 C ATOM 1009 CD PRO A 112 -12.746 2.210 -8.318 1.00 12.59 C ATOM 1010 N SER A 113 -14.174 6.137 -10.555 1.00 11.40 N ATOM 1011 CA SER A 113 -15.384 6.906 -10.784 1.00 11.46 C ATOM 1012 C SER A 113 -16.339 6.108 -11.670 1.00 11.56 C ATOM 1013 O SER A 113 -15.941 5.207 -12.414 1.00 11.78 O ATOM 1014 CB SER A 113 -15.048 8.231 -11.469 1.00 12.95 C ATOM 1015 OG SER A 113 -14.571 7.991 -12.773 1.00 14.41 O ATOM 1016 HG SER A 113 -14.356 8.854 -13.209 1.00 0.00 H ATOM 1017 H SER A 113 -13.274 6.422 -10.991 1.00 0.00 H ATOM 1018 N ARG A 114 -17.626 6.451 -11.589 1.00 11.76 N ATOM 1019 CA ARG A 114 -18.582 5.853 -12.518 1.00 12.74 C ATOM 1020 C ARG A 114 -18.140 6.060 -13.967 1.00 11.98 C ATOM 1021 O ARG A 114 -18.329 5.174 -14.810 1.00 13.01 O ATOM 1022 CB ARG A 114 -19.993 6.399 -12.251 1.00 12.65 C ATOM 1023 CG ARG A 114 -21.063 5.886 -13.202 1.00 13.35 C ATOM 1024 CD ARG A 114 -21.289 4.383 -13.062 1.00 13.03 C ATOM 1025 NE ARG A 114 -22.414 3.973 -13.897 1.00 14.20 N ATOM 1026 CZ ARG A 114 -22.950 2.760 -13.909 1.00 14.27 C ATOM 1027 NH1 ARG A 114 -22.450 1.807 -13.135 1.00 15.59 N ATOM 1028 NH2 ARG A 114 -23.986 2.505 -14.700 1.00 15.65 N ATOM 1029 HE ARG A 114 -22.827 4.687 -14.531 1.00 0.00 H ATOM 1030 HH12 ARG A 114 -22.870 0.856 -13.144 1.00 0.00 H ATOM 1031 HH11 ARG A 114 -21.638 2.011 -12.519 1.00 0.00 H ATOM 1032 HH22 ARG A 114 -24.409 1.555 -14.712 1.00 0.00 H ATOM 1033 HH21 ARG A 114 -24.374 3.255 -15.307 1.00 0.00 H ATOM 1034 H ARG A 114 -17.945 7.135 -10.874 1.00 0.00 H ATOM 1035 N THR A 115 -17.495 7.196 -14.257 1.00 12.83 N ATOM 1036 CA THR A 115 -16.996 7.470 -15.603 1.00 13.65 C ATOM 1037 C THR A 115 -15.954 6.439 -16.024 1.00 12.37 C ATOM 1038 O THR A 115 -15.970 5.954 -17.164 1.00 13.47 O ATOM 1039 CB THR A 115 -16.369 8.860 -15.635 1.00 17.17 C ATOM 1040 OG1 THR A 115 -17.198 9.775 -14.910 1.00 21.85 O ATOM 1041 CG2 THR A 115 -16.199 9.336 -17.074 1.00 19.97 C ATOM 1042 HG1 THR A 115 -16.790 10.677 -14.932 1.00 0.00 H ATOM 1043 H THR A 115 -17.345 7.901 -13.507 1.00 0.00 H ATOM 1044 N GLU A 116 -15.025 6.104 -15.117 1.00 12.10 N ATOM 1045 CA GLU A 116 -14.008 5.096 -15.414 1.00 11.79 C ATOM 1046 C GLU A 116 -14.623 3.711 -15.583 1.00 10.62 C ATOM 1047 O GLU A 116 -14.221 2.954 -16.474 1.00 11.18 O ATOM 1048 CB GLU A 116 -12.934 5.107 -14.323 1.00 11.60 C ATOM 1049 CG GLU A 116 -12.018 6.324 -14.442 1.00 12.55 C ATOM 1050 CD GLU A 116 -11.329 6.719 -13.145 1.00 12.15 C ATOM 1051 OE1 GLU A 116 -11.742 6.298 -12.040 1.00 13.19 O ATOM 1052 OE2 GLU A 116 -10.358 7.480 -13.247 1.00 14.74 O ATOM 1053 H GLU A 116 -15.028 6.569 -14.187 1.00 0.00 H ATOM 1054 N VAL A 117 -15.618 3.375 -14.756 1.00 10.82 N ATOM 1055 CA VAL A 117 -16.284 2.082 -14.882 1.00 11.12 C ATOM 1056 C VAL A 117 -16.948 1.962 -16.246 1.00 11.31 C ATOM 1057 O VAL A 117 -16.808 0.949 -16.946 1.00 11.36 O ATOM 1058 CB VAL A 117 -17.296 1.892 -13.739 1.00 11.21 C ATOM 1059 CG1 VAL A 117 -18.105 0.610 -13.940 1.00 12.73 C ATOM 1060 CG2 VAL A 117 -16.582 1.886 -12.407 1.00 12.20 C ATOM 1061 H VAL A 117 -15.920 4.041 -14.016 1.00 0.00 H ATOM 1062 N VAL A 118 -17.687 3.000 -16.647 1.00 11.02 N ATOM 1063 CA VAL A 118 -18.366 2.962 -17.934 1.00 12.39 C ATOM 1064 C VAL A 118 -17.352 2.934 -19.069 1.00 11.59 C ATOM 1065 O VAL A 118 -17.540 2.225 -20.070 1.00 13.36 O ATOM 1066 CB VAL A 118 -19.353 4.138 -18.041 1.00 14.69 C ATOM 1067 CG1 VAL A 118 -19.875 4.305 -19.476 1.00 16.80 C ATOM 1068 CG2 VAL A 118 -20.513 3.951 -17.047 1.00 16.00 C ATOM 1069 H VAL A 118 -17.778 3.838 -16.038 1.00 0.00 H ATOM 1070 N ALA A 119 -16.239 3.668 -18.913 1.00 11.75 N ATOM 1071 CA ALA A 119 -15.188 3.668 -19.929 1.00 11.98 C ATOM 1072 C ALA A 119 -14.607 2.271 -20.137 1.00 11.45 C ATOM 1073 O ALA A 119 -14.316 1.873 -21.273 1.00 11.78 O ATOM 1074 CB ALA A 119 -14.074 4.648 -19.549 1.00 12.66 C ATOM 1075 H ALA A 119 -16.123 4.246 -18.056 1.00 0.00 H ATOM 1076 N CYS A 120 -14.433 1.507 -19.052 1.00 10.29 N ATOM 1077 CA CYS A 120 -13.760 0.212 -19.133 1.00 10.80 C ATOM 1078 C CYS A 120 -14.728 -0.926 -19.428 1.00 11.36 C ATOM 1079 O CYS A 120 -14.304 -2.016 -19.833 1.00 11.14 O ATOM 1080 CB CYS A 120 -13.028 -0.078 -17.821 1.00 11.35 C ATOM 1081 SG CYS A 120 -11.657 -1.266 -17.988 1.00 10.58 S ATOM 1082 H CYS A 120 -14.784 1.842 -18.132 1.00 0.00 H ATOM 1083 N ARG A 121 -16.011 -0.695 -19.256 1.00 11.49 N ATOM 1084 CA ARG A 121 -17.011 -1.738 -19.429 1.00 12.81 C ATOM 1085 C ARG A 121 -16.967 -2.474 -20.770 1.00 12.63 C ATOM 1086 O ARG A 121 -17.318 -3.657 -20.806 1.00 13.02 O ATOM 1087 CB ARG A 121 -18.406 -1.173 -19.158 1.00 13.55 C ATOM 1088 CG ARG A 121 -19.482 -2.235 -18.971 1.00 14.45 C ATOM 1089 CD ARG A 121 -20.725 -1.667 -18.347 1.00 17.62 C ATOM 1090 NE ARG A 121 -21.227 -0.561 -19.140 1.00 18.42 N ATOM 1091 CZ ARG A 121 -22.168 0.278 -18.715 1.00 20.55 C ATOM 1092 NH1 ARG A 121 -22.694 0.125 -17.510 1.00 22.86 N ATOM 1093 NH2 ARG A 121 -22.577 1.276 -19.483 1.00 22.46 N ATOM 1094 HE ARG A 121 -20.831 -0.416 -20.091 1.00 0.00 H ATOM 1095 HH12 ARG A 121 -23.430 0.780 -17.177 1.00 0.00 H ATOM 1096 HH11 ARG A 121 -22.372 -0.650 -16.897 1.00 0.00 H ATOM 1097 HH22 ARG A 121 -23.313 1.927 -19.142 1.00 0.00 H ATOM 1098 HH21 ARG A 121 -22.162 1.409 -20.427 1.00 0.00 H ATOM 1099 H ARG A 121 -16.320 0.261 -18.988 1.00 0.00 H ATOM 1100 N PRO A 122 -16.569 -1.847 -21.884 1.00 11.94 N ATOM 1101 CA PRO A 122 -16.432 -2.636 -23.124 1.00 12.69 C ATOM 1102 C PRO A 122 -15.522 -3.850 -22.994 1.00 11.71 C ATOM 1103 O PRO A 122 -15.749 -4.849 -23.684 1.00 12.91 O ATOM 1104 CB PRO A 122 -15.924 -1.611 -24.143 1.00 13.91 C ATOM 1105 CG PRO A 122 -16.517 -0.318 -23.655 1.00 14.53 C ATOM 1106 CD PRO A 122 -16.430 -0.399 -22.150 1.00 14.26 C ATOM 1107 N TRP A 123 -14.517 -3.816 -22.115 1.00 11.54 N ATOM 1108 CA TRP A 123 -13.713 -5.016 -21.891 1.00 10.93 C ATOM 1109 C TRP A 123 -14.530 -6.101 -21.210 1.00 11.29 C ATOM 1110 O TRP A 123 -14.438 -7.279 -21.587 1.00 11.85 O ATOM 1111 CB TRP A 123 -12.459 -4.701 -21.068 1.00 11.01 C ATOM 1112 CG TRP A 123 -11.484 -3.850 -21.793 1.00 10.68 C ATOM 1113 CD1 TRP A 123 -11.124 -2.559 -21.486 1.00 12.23 C ATOM 1114 CD2 TRP A 123 -10.732 -4.206 -22.965 1.00 10.71 C ATOM 1115 NE1 TRP A 123 -10.199 -2.098 -22.396 1.00 12.20 N ATOM 1116 CE2 TRP A 123 -9.948 -3.084 -23.317 1.00 12.05 C ATOM 1117 CE3 TRP A 123 -10.645 -5.365 -23.751 1.00 12.79 C ATOM 1118 CZ2 TRP A 123 -9.092 -3.091 -24.421 1.00 13.20 C ATOM 1119 CZ3 TRP A 123 -9.797 -5.366 -24.842 1.00 14.30 C ATOM 1120 CH2 TRP A 123 -9.037 -4.236 -25.171 1.00 14.21 C ATOM 1121 HE1 TRP A 123 -9.761 -1.155 -22.387 1.00 0.00 H ATOM 1122 H TRP A 123 -14.308 -2.941 -21.593 1.00 0.00 H ATOM 1123 N LEU A 124 -15.327 -5.723 -20.201 1.00 11.69 N ATOM 1124 CA LEU A 124 -16.209 -6.689 -19.546 1.00 12.72 C ATOM 1125 C LEU A 124 -17.182 -7.296 -20.542 1.00 11.81 C ATOM 1126 O LEU A 124 -17.449 -8.503 -20.509 1.00 12.66 O ATOM 1127 CB LEU A 124 -17.018 -5.999 -18.453 1.00 16.06 C ATOM 1128 CG LEU A 124 -16.528 -5.863 -17.022 1.00 18.88 C ATOM 1129 CD1 LEU A 124 -17.694 -5.440 -16.155 1.00 17.56 C ATOM 1130 CD2 LEU A 124 -15.914 -7.161 -16.518 1.00 18.17 C ATOM 1131 H LEU A 124 -15.318 -4.734 -19.881 1.00 0.00 H ATOM 1132 N ILE A 125 -17.756 -6.465 -21.411 1.00 12.02 N ATOM 1133 CA ILE A 125 -18.667 -6.975 -22.429 1.00 11.96 C ATOM 1134 C ILE A 125 -17.949 -7.966 -23.340 1.00 11.64 C ATOM 1135 O ILE A 125 -18.486 -9.038 -23.659 1.00 12.29 O ATOM 1136 CB ILE A 125 -19.313 -5.814 -23.208 1.00 13.49 C ATOM 1137 CG1 ILE A 125 -20.155 -4.942 -22.270 1.00 16.02 C ATOM 1138 CG2 ILE A 125 -20.181 -6.345 -24.342 1.00 15.77 C ATOM 1139 CD1 ILE A 125 -21.276 -5.674 -21.574 1.00 19.60 C ATOM 1140 H ILE A 125 -17.553 -5.446 -21.363 1.00 0.00 H ATOM 1141 N ALA A 126 -16.709 -7.647 -23.739 1.00 11.75 N ATOM 1142 CA ALA A 126 -15.942 -8.565 -24.582 1.00 12.33 C ATOM 1143 C ALA A 126 -15.644 -9.873 -23.852 1.00 12.29 C ATOM 1144 O ALA A 126 -15.704 -10.954 -24.451 1.00 12.75 O ATOM 1145 CB ALA A 126 -14.642 -7.911 -25.045 1.00 12.95 C ATOM 1146 H ALA A 126 -16.290 -6.741 -23.447 1.00 0.00 H ATOM 1147 N GLU A 127 -15.327 -9.794 -22.554 1.00 11.30 N ATOM 1148 CA GLU A 127 -15.092 -10.999 -21.759 1.00 11.00 C ATOM 1149 C GLU A 127 -16.352 -11.844 -21.648 1.00 11.41 C ATOM 1150 O GLU A 127 -16.305 -13.075 -21.769 1.00 12.40 O ATOM 1151 CB GLU A 127 -14.605 -10.607 -20.363 1.00 11.56 C ATOM 1152 CG GLU A 127 -13.172 -10.121 -20.346 1.00 11.71 C ATOM 1153 CD GLU A 127 -12.766 -9.511 -19.026 1.00 11.52 C ATOM 1154 OE1 GLU A 127 -13.409 -8.528 -18.609 1.00 12.91 O ATOM 1155 OE2 GLU A 127 -11.793 -10.012 -18.413 1.00 12.22 O ATOM 1156 H GLU A 127 -15.246 -8.860 -22.103 1.00 0.00 H ATOM 1157 N MET A 128 -17.494 -11.207 -21.407 1.00 11.48 N ATOM 1158 CA MET A 128 -18.726 -11.971 -21.283 1.00 12.55 C ATOM 1159 C MET A 128 -19.130 -12.572 -22.626 1.00 12.70 C ATOM 1160 O MET A 128 -19.669 -13.686 -22.675 1.00 14.02 O ATOM 1161 CB MET A 128 -19.808 -11.066 -20.703 1.00 14.09 C ATOM 1162 CG MET A 128 -19.517 -10.597 -19.263 1.00 16.11 C ATOM 1163 SD MET A 128 -20.974 -9.883 -18.496 1.00 20.82 S ATOM 1164 CE MET A 128 -22.106 -11.077 -19.205 1.00 25.32 C ATOM 1165 H MET A 128 -17.506 -10.172 -21.308 1.00 0.00 H ATOM 1166 N THR A 129 -18.865 -11.856 -23.728 1.00 13.18 N ATOM 1167 CA THR A 129 -19.125 -12.402 -25.060 1.00 15.25 C ATOM 1168 C THR A 129 -18.235 -13.603 -25.333 1.00 14.12 C ATOM 1169 O THR A 129 -18.667 -14.586 -25.949 1.00 15.45 O ATOM 1170 CB THR A 129 -18.895 -11.305 -26.106 1.00 16.60 C ATOM 1171 OG1 THR A 129 -19.862 -10.266 -25.908 1.00 18.82 O ATOM 1172 CG2 THR A 129 -18.995 -11.860 -27.541 1.00 17.86 C ATOM 1173 HG1 THR A 129 -19.758 -9.889 -24.998 1.00 0.00 H ATOM 1174 H THR A 129 -18.469 -10.899 -23.635 1.00 0.00 H ATOM 1175 N SER A 130 -16.996 -13.552 -24.845 1.00 13.40 N ATOM 1176 CA SER A 130 -16.033 -14.617 -25.086 1.00 14.25 C ATOM 1177 C SER A 130 -16.347 -15.852 -24.251 1.00 13.86 C ATOM 1178 O SER A 130 -16.240 -16.985 -24.738 1.00 14.77 O ATOM 1179 CB SER A 130 -14.640 -14.097 -24.742 1.00 15.24 C ATOM 1180 OG SER A 130 -13.686 -15.141 -24.765 1.00 15.91 O ATOM 1181 HG SER A 130 -13.660 -15.543 -25.669 1.00 0.00 H ATOM 1182 H SER A 130 -16.709 -12.729 -24.277 1.00 0.00 H ATOM 1183 N VAL A 131 -16.723 -15.647 -22.992 1.00 12.49 N ATOM 1184 CA VAL A 131 -16.900 -16.749 -22.053 1.00 12.46 C ATOM 1185 C VAL A 131 -18.324 -17.308 -22.065 1.00 12.77 C ATOM 1186 O VAL A 131 -18.517 -18.507 -21.825 1.00 14.04 O ATOM 1187 CB VAL A 131 -16.483 -16.271 -20.648 1.00 12.79 C ATOM 1188 CG1 VAL A 131 -16.795 -17.328 -19.576 1.00 13.17 C ATOM 1189 CG2 VAL A 131 -14.994 -15.907 -20.642 1.00 14.69 C ATOM 1190 H VAL A 131 -16.896 -14.674 -22.668 1.00 0.00 H ATOM 1191 N GLU A 132 -19.322 -16.474 -22.351 1.00 12.94 N ATOM 1192 CA GLU A 132 -20.729 -16.860 -22.282 1.00 13.47 C ATOM 1193 C GLU A 132 -21.080 -17.520 -20.946 1.00 13.29 C ATOM 1194 O GLU A 132 -21.587 -18.647 -20.917 1.00 14.72 O ATOM 1195 CB GLU A 132 -21.121 -17.758 -23.449 1.00 15.34 C ATOM 1196 CG GLU A 132 -20.925 -17.114 -24.812 1.00 17.23 C ATOM 1197 CD GLU A 132 -21.507 -17.935 -25.947 1.00 19.08 C ATOM 1198 OE1 GLU A 132 -21.883 -19.106 -25.725 1.00 21.58 O ATOM 1199 OE2 GLU A 132 -21.581 -17.399 -27.070 1.00 20.26 O ATOM 1200 H GLU A 132 -19.089 -15.502 -22.637 1.00 0.00 H ATOM 1201 N PRO A 133 -20.847 -16.839 -19.828 1.00 12.97 N ATOM 1202 CA PRO A 133 -21.118 -17.462 -18.525 1.00 12.35 C ATOM 1203 C PRO A 133 -22.606 -17.691 -18.301 1.00 12.24 C ATOM 1204 O PRO A 133 -23.461 -16.971 -18.828 1.00 13.90 O ATOM 1205 CB PRO A 133 -20.573 -16.431 -17.528 1.00 13.52 C ATOM 1206 CG PRO A 133 -20.748 -15.116 -18.239 1.00 13.30 C ATOM 1207 CD PRO A 133 -20.455 -15.423 -19.694 1.00 13.23 C ATOM 1208 N ASP A 134 -22.913 -18.730 -17.511 1.00 11.93 N ATOM 1209 CA ASP A 134 -24.287 -18.940 -17.068 1.00 12.94 C ATOM 1210 C ASP A 134 -24.647 -18.043 -15.896 1.00 11.87 C ATOM 1211 O ASP A 134 -25.825 -17.712 -15.709 1.00 12.70 O ATOM 1212 CB ASP A 134 -24.495 -20.397 -16.652 1.00 16.32 C ATOM 1213 CG ASP A 134 -24.363 -21.370 -17.810 1.00 22.21 C ATOM 1214 OD1 ASP A 134 -24.644 -20.980 -18.962 1.00 23.58 O ATOM 1215 OD2 ASP A 134 -24.002 -22.539 -17.556 1.00 27.29 O ATOM 1216 H ASP A 134 -22.167 -19.390 -17.212 1.00 0.00 H ATOM 1217 N VAL A 135 -23.660 -17.664 -15.094 1.00 10.83 N ATOM 1218 CA VAL A 135 -23.889 -16.822 -13.925 1.00 11.06 C ATOM 1219 C VAL A 135 -22.689 -15.908 -13.759 1.00 9.87 C ATOM 1220 O VAL A 135 -21.549 -16.293 -14.048 1.00 10.50 O ATOM 1221 CB VAL A 135 -24.160 -17.661 -12.656 1.00 13.69 C ATOM 1222 CG1 VAL A 135 -22.986 -18.529 -12.324 1.00 16.61 C ATOM 1223 CG2 VAL A 135 -24.536 -16.774 -11.462 1.00 14.04 C ATOM 1224 H VAL A 135 -22.691 -17.978 -15.306 1.00 0.00 H ATOM 1225 N VAL A 136 -22.957 -14.683 -13.321 1.00 10.02 N ATOM 1226 CA VAL A 136 -21.925 -13.706 -13.008 1.00 11.00 C ATOM 1227 C VAL A 136 -22.066 -13.336 -11.542 1.00 10.19 C ATOM 1228 O VAL A 136 -23.140 -12.893 -11.111 1.00 11.71 O ATOM 1229 CB VAL A 136 -22.018 -12.457 -13.903 1.00 11.48 C ATOM 1230 CG1 VAL A 136 -20.940 -11.453 -13.519 1.00 13.08 C ATOM 1231 CG2 VAL A 136 -21.918 -12.817 -15.386 1.00 13.29 C ATOM 1232 H VAL A 136 -23.952 -14.409 -13.196 1.00 0.00 H ATOM 1233 N VAL A 137 -20.990 -13.528 -10.781 1.00 9.96 N ATOM 1234 CA VAL A 137 -20.927 -13.092 -9.392 1.00 9.01 C ATOM 1235 C VAL A 137 -20.265 -11.724 -9.364 1.00 8.60 C ATOM 1236 O VAL A 137 -19.132 -11.559 -9.829 1.00 10.21 O ATOM 1237 CB VAL A 137 -20.152 -14.095 -8.528 1.00 10.19 C ATOM 1238 CG1 VAL A 137 -20.028 -13.575 -7.096 1.00 12.17 C ATOM 1239 CG2 VAL A 137 -20.822 -15.467 -8.570 1.00 11.24 C ATOM 1240 H VAL A 137 -20.164 -14.007 -11.193 1.00 0.00 H ATOM 1241 N LEU A 138 -20.979 -10.741 -8.827 1.00 8.78 N ATOM 1242 CA LEU A 138 -20.508 -9.362 -8.762 1.00 8.72 C ATOM 1243 C LEU A 138 -20.019 -9.115 -7.339 1.00 8.22 C ATOM 1244 O LEU A 138 -20.816 -9.090 -6.396 1.00 9.72 O ATOM 1245 CB LEU A 138 -21.645 -8.420 -9.158 1.00 9.96 C ATOM 1246 CG LEU A 138 -22.193 -8.701 -10.562 1.00 11.56 C ATOM 1247 CD1 LEU A 138 -23.572 -8.075 -10.763 1.00 12.58 C ATOM 1248 CD2 LEU A 138 -21.215 -8.239 -11.639 1.00 12.39 C ATOM 1249 H LEU A 138 -21.916 -10.965 -8.435 1.00 0.00 H ATOM 1250 N LEU A 139 -18.708 -8.969 -7.181 1.00 8.67 N ATOM 1251 CA LEU A 139 -18.084 -8.851 -5.866 1.00 9.52 C ATOM 1252 C LEU A 139 -17.930 -7.372 -5.522 1.00 9.21 C ATOM 1253 O LEU A 139 -17.011 -6.707 -6.002 1.00 10.72 O ATOM 1254 CB LEU A 139 -16.721 -9.537 -5.873 1.00 9.89 C ATOM 1255 CG LEU A 139 -16.703 -11.044 -6.165 1.00 10.77 C ATOM 1256 CD1 LEU A 139 -15.283 -11.488 -6.502 1.00 13.35 C ATOM 1257 CD2 LEU A 139 -17.284 -11.851 -5.004 1.00 13.05 C ATOM 1258 H LEU A 139 -18.103 -8.938 -8.026 1.00 0.00 H ATOM 1259 N GLY A 140 -18.847 -6.841 -4.719 1.00 10.08 N ATOM 1260 CA GLY A 140 -18.738 -5.480 -4.231 1.00 10.18 C ATOM 1261 C GLY A 140 -19.530 -4.469 -5.054 1.00 9.30 C ATOM 1262 O GLY A 140 -20.046 -4.750 -6.137 1.00 9.88 O ATOM 1263 H GLY A 140 -19.664 -7.417 -4.433 1.00 0.00 H ATOM 1264 N ALA A 141 -19.578 -3.246 -4.512 1.00 9.95 N ATOM 1265 CA ALA A 141 -20.436 -2.193 -5.049 1.00 9.96 C ATOM 1266 C ALA A 141 -20.074 -1.816 -6.486 1.00 9.38 C ATOM 1267 O ALA A 141 -20.957 -1.703 -7.340 1.00 10.58 O ATOM 1268 CB ALA A 141 -20.359 -0.973 -4.138 1.00 11.18 C ATOM 1269 H ALA A 141 -18.986 -3.039 -3.683 1.00 0.00 H ATOM 1270 N THR A 142 -18.788 -1.577 -6.773 1.00 9.16 N ATOM 1271 CA THR A 142 -18.426 -1.089 -8.107 1.00 9.40 C ATOM 1272 C THR A 142 -18.824 -2.084 -9.189 1.00 9.12 C ATOM 1273 O THR A 142 -19.444 -1.710 -10.197 1.00 9.58 O ATOM 1274 CB THR A 142 -16.926 -0.805 -8.179 1.00 9.99 C ATOM 1275 OG1 THR A 142 -16.629 0.285 -7.300 1.00 11.34 O ATOM 1276 CG2 THR A 142 -16.511 -0.425 -9.592 1.00 11.91 C ATOM 1277 HG1 THR A 142 -17.139 1.085 -7.584 1.00 0.00 H ATOM 1278 H THR A 142 -18.052 -1.736 -6.055 1.00 0.00 H ATOM 1279 N ALA A 143 -18.466 -3.360 -8.993 1.00 9.11 N ATOM 1280 CA ALA A 143 -18.789 -4.393 -9.972 1.00 9.32 C ATOM 1281 C ALA A 143 -20.294 -4.562 -10.115 1.00 8.69 C ATOM 1282 O ALA A 143 -20.813 -4.696 -11.235 1.00 10.24 O ATOM 1283 CB ALA A 143 -18.145 -5.715 -9.551 1.00 10.04 C ATOM 1284 H ALA A 143 -17.949 -3.619 -8.128 1.00 0.00 H ATOM 1285 N ALA A 144 -21.013 -4.599 -8.989 1.00 9.03 N ATOM 1286 CA ALA A 144 -22.459 -4.761 -9.064 1.00 9.13 C ATOM 1287 C ALA A 144 -23.089 -3.607 -9.825 1.00 9.23 C ATOM 1288 O ALA A 144 -23.952 -3.816 -10.690 1.00 10.38 O ATOM 1289 CB ALA A 144 -23.038 -4.907 -7.659 1.00 11.21 C ATOM 1290 H ALA A 144 -20.543 -4.513 -8.065 1.00 0.00 H ATOM 1291 N LYS A 145 -22.667 -2.378 -9.518 1.00 9.34 N ATOM 1292 CA LYS A 145 -23.231 -1.214 -10.191 1.00 10.02 C ATOM 1293 C LYS A 145 -22.888 -1.211 -11.673 1.00 10.28 C ATOM 1294 O LYS A 145 -23.665 -0.697 -12.486 1.00 10.95 O ATOM 1295 CB LYS A 145 -22.735 0.069 -9.524 1.00 10.58 C ATOM 1296 CG LYS A 145 -23.252 0.290 -8.096 1.00 10.40 C ATOM 1297 CD LYS A 145 -22.461 1.416 -7.416 1.00 11.61 C ATOM 1298 CE LYS A 145 -22.815 1.544 -5.946 1.00 12.22 C ATOM 1299 NZ LYS A 145 -24.185 2.092 -5.762 1.00 12.38 N ATOM 1300 HZ1 LYS A 145 -24.242 3.034 -6.198 1.00 0.00 H ATOM 1301 HZ2 LYS A 145 -24.874 1.458 -6.213 1.00 0.00 H ATOM 1302 HZ3 LYS A 145 -24.394 2.166 -4.746 1.00 0.00 H ATOM 1303 H LYS A 145 -21.931 -2.250 -8.794 1.00 0.00 H ATOM 1304 N ALA A 146 -21.730 -1.773 -12.044 1.00 10.16 N ATOM 1305 CA ALA A 146 -21.341 -1.809 -13.451 1.00 10.87 C ATOM 1306 C ALA A 146 -22.418 -2.461 -14.311 1.00 11.48 C ATOM 1307 O ALA A 146 -22.685 -2.010 -15.432 1.00 12.82 O ATOM 1308 CB ALA A 146 -19.992 -2.515 -13.632 1.00 11.12 C ATOM 1309 H ALA A 146 -21.103 -2.187 -11.325 1.00 0.00 H ATOM 1310 N LEU A 147 -23.048 -3.524 -13.811 1.00 10.72 N ATOM 1311 CA LEU A 147 -24.080 -4.214 -14.575 1.00 12.12 C ATOM 1312 C LEU A 147 -25.500 -3.861 -14.152 1.00 11.60 C ATOM 1313 O LEU A 147 -26.413 -3.985 -14.968 1.00 13.69 O ATOM 1314 CB LEU A 147 -23.889 -5.732 -14.491 1.00 14.64 C ATOM 1315 CG LEU A 147 -22.586 -6.277 -15.098 1.00 18.17 C ATOM 1316 CD1 LEU A 147 -22.669 -7.786 -15.285 1.00 20.23 C ATOM 1317 CD2 LEU A 147 -22.240 -5.594 -16.430 1.00 20.20 C ATOM 1318 H LEU A 147 -22.799 -3.866 -12.861 1.00 0.00 H ATOM 1319 N LEU A 148 -25.718 -3.431 -12.905 1.00 11.45 N ATOM 1320 CA LEU A 148 -27.061 -3.270 -12.359 1.00 11.58 C ATOM 1321 C LEU A 148 -27.486 -1.814 -12.200 1.00 13.53 C ATOM 1322 O LEU A 148 -28.639 -1.557 -11.821 1.00 15.92 O ATOM 1323 CB LEU A 148 -27.178 -4.017 -11.025 1.00 11.69 C ATOM 1324 CG LEU A 148 -27.041 -5.534 -11.143 1.00 14.04 C ATOM 1325 CD1 LEU A 148 -26.713 -6.159 -9.797 1.00 14.50 C ATOM 1326 CD2 LEU A 148 -28.291 -6.170 -11.746 1.00 18.03 C ATOM 1327 H LEU A 148 -24.901 -3.203 -12.303 1.00 0.00 H ATOM 1328 N GLY A 149 -26.606 -0.866 -12.480 1.00 11.13 N ATOM 1329 CA GLY A 149 -26.919 0.549 -12.409 1.00 12.51 C ATOM 1330 C GLY A 149 -26.222 1.221 -11.236 1.00 11.41 C ATOM 1331 O GLY A 149 -25.970 0.607 -10.195 1.00 11.53 O ATOM 1332 H GLY A 149 -25.646 -1.148 -12.764 1.00 0.00 H ATOM 1333 N ASN A 150 -25.923 2.516 -11.401 1.00 11.79 N ATOM 1334 CA ASN A 150 -25.154 3.247 -10.398 1.00 12.56 C ATOM 1335 C ASN A 150 -25.888 3.403 -9.072 1.00 12.71 C ATOM 1336 O ASN A 150 -25.241 3.657 -8.053 1.00 13.20 O ATOM 1337 CB ASN A 150 -24.746 4.610 -10.956 1.00 15.21 C ATOM 1338 CG ASN A 150 -23.568 5.224 -10.228 1.00 18.08 C ATOM 1339 OD1 ASN A 150 -22.671 4.516 -9.759 1.00 17.90 O ATOM 1340 ND2 ASN A 150 -23.560 6.542 -10.138 1.00 19.09 N ATOM 1341 HD22 ASN A 150 -24.338 7.096 -10.549 1.00 0.00 H ATOM 1342 HD21 ASN A 150 -22.775 7.026 -9.656 1.00 0.00 H ATOM 1343 H ASN A 150 -26.244 3.009 -12.258 1.00 0.00 H ATOM 1344 N ASP A 151 -27.209 3.239 -9.051 1.00 12.59 N ATOM 1345 CA ASP A 151 -27.966 3.340 -7.810 1.00 12.16 C ATOM 1346 C ASP A 151 -28.047 2.022 -7.053 1.00 11.63 C ATOM 1347 O ASP A 151 -28.555 1.998 -5.929 1.00 13.41 O ATOM 1348 CB ASP A 151 -29.387 3.862 -8.080 1.00 13.63 C ATOM 1349 CG ASP A 151 -30.081 4.340 -6.820 1.00 16.16 C ATOM 1350 OD1 ASP A 151 -29.458 5.105 -6.050 1.00 17.30 O ATOM 1351 OD2 ASP A 151 -31.250 3.959 -6.606 1.00 18.33 O ATOM 1352 H ASP A 151 -27.711 3.035 -9.939 1.00 0.00 H ATOM 1353 N PHE A 152 -27.581 0.927 -7.645 1.00 10.95 N ATOM 1354 CA PHE A 152 -27.781 -0.387 -7.047 1.00 10.23 C ATOM 1355 C PHE A 152 -27.070 -0.505 -5.702 1.00 10.16 C ATOM 1356 O PHE A 152 -25.910 -0.111 -5.556 1.00 10.85 O ATOM 1357 CB PHE A 152 -27.265 -1.468 -7.993 1.00 10.92 C ATOM 1358 CG PHE A 152 -27.367 -2.850 -7.419 1.00 10.53 C ATOM 1359 CD1 PHE A 152 -28.587 -3.513 -7.383 1.00 10.50 C ATOM 1360 CD2 PHE A 152 -26.255 -3.475 -6.870 1.00 11.02 C ATOM 1361 CE1 PHE A 152 -28.684 -4.776 -6.853 1.00 10.91 C ATOM 1362 CE2 PHE A 152 -26.348 -4.742 -6.322 1.00 10.99 C ATOM 1363 CZ PHE A 152 -27.571 -5.392 -6.318 1.00 11.00 C ATOM 1364 H PHE A 152 -27.068 1.009 -8.546 1.00 0.00 H ATOM 1365 N ARG A 153 -27.758 -1.097 -4.721 1.00 9.87 N ATOM 1366 CA ARG A 153 -27.197 -1.321 -3.384 1.00 10.41 C ATOM 1367 C ARG A 153 -27.013 -2.819 -3.127 1.00 10.05 C ATOM 1368 O ARG A 153 -27.993 -3.534 -2.869 1.00 10.27 O ATOM 1369 CB ARG A 153 -28.102 -0.711 -2.312 1.00 12.17 C ATOM 1370 CG ARG A 153 -28.608 0.692 -2.628 1.00 12.64 C ATOM 1371 CD ARG A 153 -27.470 1.716 -2.771 1.00 13.82 C ATOM 1372 NE ARG A 153 -28.015 2.938 -3.362 1.00 15.17 N ATOM 1373 CZ ARG A 153 -28.451 3.979 -2.659 1.00 15.34 C ATOM 1374 NH1 ARG A 153 -28.401 3.957 -1.334 1.00 15.92 N ATOM 1375 NH2 ARG A 153 -28.956 5.037 -3.285 1.00 16.44 N ATOM 1376 HE ARG A 153 -28.065 2.996 -4.399 1.00 0.00 H ATOM 1377 HH12 ARG A 153 -28.743 4.773 -0.787 1.00 0.00 H ATOM 1378 HH11 ARG A 153 -28.020 3.124 -0.842 1.00 0.00 H ATOM 1379 HH22 ARG A 153 -29.297 5.852 -2.736 1.00 0.00 H ATOM 1380 HH21 ARG A 153 -29.010 5.050 -4.324 1.00 0.00 H ATOM 1381 H ARG A 153 -28.730 -1.412 -4.913 1.00 0.00 H ATOM 1382 N VAL A 154 -25.756 -3.288 -3.179 1.00 10.68 N ATOM 1383 CA VAL A 154 -25.447 -4.685 -2.857 1.00 11.60 C ATOM 1384 C VAL A 154 -26.060 -5.088 -1.526 1.00 11.96 C ATOM 1385 O VAL A 154 -26.586 -6.197 -1.373 1.00 12.41 O ATOM 1386 CB VAL A 154 -23.922 -4.896 -2.819 1.00 13.79 C ATOM 1387 CG1 VAL A 154 -23.588 -6.276 -2.243 1.00 15.63 C ATOM 1388 CG2 VAL A 154 -23.312 -4.742 -4.173 1.00 16.31 C ATOM 1389 H VAL A 154 -24.985 -2.647 -3.454 1.00 0.00 H ATOM 1390 N THR A 155 -25.989 -4.196 -0.536 1.00 11.93 N ATOM 1391 CA THR A 155 -26.447 -4.536 0.804 1.00 12.99 C ATOM 1392 C THR A 155 -27.931 -4.868 0.850 1.00 13.05 C ATOM 1393 O THR A 155 -28.375 -5.509 1.806 1.00 17.26 O ATOM 1394 CB THR A 155 -26.167 -3.372 1.744 1.00 16.20 C ATOM 1395 OG1 THR A 155 -26.802 -2.198 1.240 1.00 20.52 O ATOM 1396 CG2 THR A 155 -24.679 -3.127 1.857 1.00 17.55 C ATOM 1397 HG1 THR A 155 -26.622 -1.439 1.850 1.00 0.00 H ATOM 1398 H THR A 155 -25.603 -3.249 -0.723 1.00 0.00 H ATOM 1399 N GLN A 156 -28.707 -4.443 -0.146 1.00 12.05 N ATOM 1400 CA GLN A 156 -30.155 -4.613 -0.138 1.00 12.76 C ATOM 1401 C GLN A 156 -30.623 -5.800 -0.970 1.00 14.17 C ATOM 1402 O GLN A 156 -31.831 -6.052 -1.035 1.00 15.86 O ATOM 1403 CB GLN A 156 -30.856 -3.310 -0.568 1.00 13.86 C ATOM 1404 CG GLN A 156 -30.496 -2.142 0.353 1.00 15.32 C ATOM 1405 CD GLN A 156 -31.105 -0.803 -0.035 1.00 17.85 C ATOM 1406 OE1 GLN A 156 -31.673 -0.634 -1.113 1.00 16.94 O ATOM 1407 NE2 GLN A 156 -30.982 0.161 0.861 1.00 19.84 N ATOM 1408 HE22 GLN A 156 -30.494 -0.024 1.761 1.00 0.00 H ATOM 1409 HE21 GLN A 156 -31.373 1.105 0.666 1.00 0.00 H ATOM 1410 H GLN A 156 -28.263 -3.972 -0.960 1.00 0.00 H ATOM 1411 N HIS A 157 -29.706 -6.554 -1.590 1.00 13.57 N ATOM 1412 CA HIS A 157 -30.145 -7.630 -2.475 1.00 13.72 C ATOM 1413 C HIS A 157 -29.377 -8.928 -2.268 1.00 17.21 C ATOM 1414 O HIS A 157 -29.245 -9.730 -3.202 1.00 19.21 O ATOM 1415 CB HIS A 157 -30.172 -7.160 -3.923 1.00 13.96 C ATOM 1416 CG HIS A 157 -31.191 -6.097 -4.133 1.00 13.27 C ATOM 1417 ND1 HIS A 157 -32.527 -6.392 -4.283 1.00 14.44 N ATOM 1418 CD2 HIS A 157 -31.101 -4.747 -4.088 1.00 13.90 C ATOM 1419 CE1 HIS A 157 -33.212 -5.267 -4.386 1.00 14.14 C ATOM 1420 NE2 HIS A 157 -32.373 -4.253 -4.252 1.00 14.78 N ATOM 1421 H HIS A 157 -28.692 -6.375 -1.443 1.00 0.00 H ATOM 1422 N ARG A 158 -28.908 -9.162 -1.042 1.00 18.77 N ATOM 1423 CA ARG A 158 -28.097 -10.332 -0.736 1.00 19.33 C ATOM 1424 C ARG A 158 -28.902 -11.617 -0.880 1.00 19.09 C ATOM 1425 O ARG A 158 -30.049 -11.714 -0.415 1.00 20.87 O ATOM 1426 CB ARG A 158 -27.542 -10.216 0.680 1.00 18.42 C ATOM 1427 CG ARG A 158 -26.625 -9.000 0.874 1.00 18.29 C ATOM 1428 CD ARG A 158 -25.354 -9.086 0.031 1.00 19.28 C ATOM 1429 NE ARG A 158 -24.631 -10.321 0.320 1.00 20.44 N ATOM 1430 CZ ARG A 158 -23.832 -10.501 1.368 1.00 22.72 C ATOM 1431 NH1 ARG A 158 -23.632 -9.524 2.242 1.00 23.94 N ATOM 1432 NH2 ARG A 158 -23.238 -11.669 1.547 1.00 24.33 N ATOM 1433 HE ARG A 158 -24.749 -11.116 -0.340 1.00 0.00 H ATOM 1434 HH12 ARG A 158 -23.005 -9.676 3.058 1.00 0.00 H ATOM 1435 HH11 ARG A 158 -24.102 -8.605 2.112 1.00 0.00 H ATOM 1436 HH22 ARG A 158 -22.612 -11.814 2.365 1.00 0.00 H ATOM 1437 HH21 ARG A 158 -23.396 -12.442 0.870 1.00 0.00 H ATOM 1438 H ARG A 158 -29.128 -8.488 -0.281 1.00 0.00 H ATOM 1439 N GLY A 159 -28.306 -12.596 -1.542 1.00 20.33 N ATOM 1440 CA GLY A 159 -28.933 -13.885 -1.739 1.00 19.94 C ATOM 1441 C GLY A 159 -29.830 -13.981 -2.950 1.00 20.62 C ATOM 1442 O GLY A 159 -30.370 -15.064 -3.209 1.00 22.89 O ATOM 1443 H GLY A 159 -27.356 -12.433 -1.933 1.00 0.00 H ATOM 1444 N GLU A 160 -29.981 -12.901 -3.717 1.00 18.34 N ATOM 1445 CA GLU A 160 -30.957 -12.836 -4.793 1.00 15.82 C ATOM 1446 C GLU A 160 -30.343 -13.117 -6.161 1.00 14.61 C ATOM 1447 O GLU A 160 -29.278 -12.598 -6.509 1.00 16.02 O ATOM 1448 CB GLU A 160 -31.646 -11.472 -4.804 1.00 16.02 C ATOM 1449 CG GLU A 160 -32.376 -11.186 -3.522 1.00 17.88 C ATOM 1450 CD GLU A 160 -32.835 -9.748 -3.405 1.00 18.02 C ATOM 1451 OE1 GLU A 160 -33.004 -9.065 -4.441 1.00 17.04 O ATOM 1452 OE2 GLU A 160 -33.035 -9.306 -2.263 1.00 19.04 O ATOM 1453 H GLU A 160 -29.377 -12.073 -3.539 1.00 0.00 H ATOM 1454 N VAL A 161 -31.046 -13.915 -6.952 1.00 13.36 N ATOM 1455 CA VAL A 161 -30.690 -14.130 -8.349 1.00 12.37 C ATOM 1456 C VAL A 161 -31.342 -13.033 -9.171 1.00 11.46 C ATOM 1457 O VAL A 161 -32.573 -12.940 -9.244 1.00 12.85 O ATOM 1458 CB VAL A 161 -31.119 -15.522 -8.830 1.00 13.87 C ATOM 1459 CG1 VAL A 161 -30.817 -15.694 -10.301 1.00 16.62 C ATOM 1460 CG2 VAL A 161 -30.403 -16.581 -8.011 1.00 15.99 C ATOM 1461 H VAL A 161 -31.878 -14.403 -6.564 1.00 0.00 H ATOM 1462 N LEU A 162 -30.514 -12.210 -9.796 1.00 11.49 N ATOM 1463 CA LEU A 162 -30.971 -11.055 -10.542 1.00 11.71 C ATOM 1464 C LEU A 162 -30.748 -11.300 -12.027 1.00 12.66 C ATOM 1465 O LEU A 162 -29.982 -12.175 -12.431 1.00 12.75 O ATOM 1466 CB LEU A 162 -30.262 -9.782 -10.059 1.00 13.08 C ATOM 1467 CG LEU A 162 -30.334 -9.563 -8.544 1.00 13.23 C ATOM 1468 CD1 LEU A 162 -29.575 -8.292 -8.139 1.00 14.92 C ATOM 1469 CD2 LEU A 162 -31.786 -9.517 -8.039 1.00 13.57 C ATOM 1470 H LEU A 162 -29.493 -12.401 -9.749 1.00 0.00 H ATOM 1471 N HIS A 163 -31.469 -10.545 -12.850 1.00 14.82 N ATOM 1472 CA HIS A 163 -31.372 -10.679 -14.298 1.00 15.66 C ATOM 1473 C HIS A 163 -31.695 -9.323 -14.897 1.00 16.49 C ATOM 1474 O HIS A 163 -32.694 -8.710 -14.514 1.00 17.02 O ATOM 1475 CB HIS A 163 -32.409 -11.680 -14.829 1.00 16.78 C ATOM 1476 CG HIS A 163 -31.907 -13.086 -14.977 1.00 18.31 C ATOM 1477 ND1 HIS A 163 -32.207 -14.079 -14.069 1.00 18.70 N ATOM 1478 CD2 HIS A 163 -31.177 -13.679 -15.953 1.00 17.45 C ATOM 1479 CE1 HIS A 163 -31.660 -15.215 -14.462 1.00 19.08 C ATOM 1480 NE2 HIS A 163 -31.029 -15.000 -15.602 1.00 18.59 N ATOM 1481 H HIS A 163 -32.120 -9.840 -12.450 1.00 0.00 H ATOM 1482 N VAL A 164 -30.860 -8.857 -15.828 1.00 16.44 N ATOM 1483 CA VAL A 164 -31.202 -7.728 -16.686 1.00 21.10 C ATOM 1484 C VAL A 164 -30.904 -8.129 -18.127 1.00 25.75 C ATOM 1485 O VAL A 164 -30.129 -9.052 -18.389 1.00 26.99 O ATOM 1486 CB VAL A 164 -30.466 -6.427 -16.296 1.00 22.41 C ATOM 1487 CG1 VAL A 164 -30.786 -6.045 -14.861 1.00 22.66 C ATOM 1488 CG2 VAL A 164 -28.988 -6.576 -16.463 1.00 22.07 C ATOM 1489 H VAL A 164 -29.934 -9.315 -15.946 1.00 0.00 H ATOM 1490 N ASP A 165 -31.536 -7.429 -19.066 1.00 32.87 N ATOM 1491 CA ASP A 165 -31.340 -7.730 -20.486 1.00 37.23 C ATOM 1492 C ASP A 165 -29.921 -7.407 -20.941 1.00 38.32 C ATOM 1493 O ASP A 165 -29.457 -7.934 -21.953 1.00 39.97 O ATOM 1494 CB ASP A 165 -32.341 -6.974 -21.364 1.00 40.61 C ATOM 1495 CG ASP A 165 -33.774 -7.386 -21.109 1.00 44.07 C ATOM 1496 OD1 ASP A 165 -34.384 -6.858 -20.159 1.00 44.79 O ATOM 1497 OD2 ASP A 165 -34.291 -8.244 -21.855 1.00 46.28 O ATOM 1498 H ASP A 165 -32.177 -6.659 -18.788 1.00 0.00 H TER 1499 ASP A 165 ATOM 1500 N VAL A 167 -26.340 -7.042 -20.783 1.00 61.27 N ATOM 1501 CA VAL A 167 -25.624 -8.266 -20.421 1.00 47.92 C ATOM 1502 C VAL A 167 -25.778 -9.301 -21.519 1.00 33.03 C ATOM 1503 O VAL A 167 -26.906 -9.722 -21.808 1.00 41.74 O ATOM 1504 CB VAL A 167 -26.083 -8.787 -19.047 1.00 24.03 C ATOM 1505 CG1 VAL A 167 -25.086 -9.760 -18.489 1.00 30.37 C ATOM 1506 CG2 VAL A 167 -26.275 -7.614 -18.113 1.00 43.13 C ATOM 1507 HN3 VAL A 167 -27.349 -7.257 -20.912 1.00 0.00 H ATOM 1508 HN2 VAL A 167 -25.949 -6.663 -21.669 1.00 0.00 H ATOM 1509 HN1 VAL A 167 -26.228 -6.339 -20.024 1.00 0.00 H ATOM 1510 N PRO A 168 -24.652 -9.668 -22.175 1.00 48.57 N ATOM 1511 CA PRO A 168 -24.649 -10.617 -23.294 1.00 48.18 C ATOM 1512 C PRO A 168 -25.341 -11.940 -23.006 1.00 58.34 C ATOM 1513 O PRO A 168 -25.781 -12.168 -21.886 1.00 53.07 O ATOM 1514 CB PRO A 168 -23.157 -10.861 -23.535 1.00 43.93 C ATOM 1515 CG PRO A 168 -22.520 -9.591 -23.174 1.00 29.46 C ATOM 1516 CD PRO A 168 -23.318 -9.059 -21.996 1.00 26.48 C TER 1517 PRO A 168 ATOM 1518 N PRO A 171 -26.891 -14.093 -18.583 1.00 18.17 N ATOM 1519 CA PRO A 171 -26.591 -14.851 -17.370 1.00 15.47 C ATOM 1520 C PRO A 171 -27.426 -14.399 -16.181 1.00 13.10 C ATOM 1521 O PRO A 171 -27.915 -13.270 -16.140 1.00 14.86 O ATOM 1522 CB PRO A 171 -25.131 -14.489 -17.093 1.00 15.57 C ATOM 1523 CG PRO A 171 -24.993 -13.114 -17.643 1.00 15.52 C ATOM 1524 CD PRO A 171 -25.835 -13.117 -18.891 1.00 18.54 C ATOM 1525 HN2 PRO A 171 -27.790 -13.587 -18.451 1.00 0.00 H ATOM 1526 HN1 PRO A 171 -26.981 -14.755 -19.380 1.00 0.00 H ATOM 1527 N ALA A 172 -27.585 -15.291 -15.215 1.00 12.64 N ATOM 1528 CA ALA A 172 -28.019 -14.877 -13.893 1.00 12.62 C ATOM 1529 C ALA A 172 -26.924 -14.022 -13.258 1.00 10.76 C ATOM 1530 O ALA A 172 -25.734 -14.193 -13.539 1.00 12.96 O ATOM 1531 CB ALA A 172 -28.260 -16.115 -13.034 1.00 14.72 C ATOM 1532 H ALA A 172 -27.397 -16.296 -15.405 1.00 0.00 H ATOM 1533 N LEU A 173 -27.327 -13.095 -12.394 1.00 10.58 N ATOM 1534 CA LEU A 173 -26.398 -12.213 -11.702 1.00 11.22 C ATOM 1535 C LEU A 173 -26.595 -12.367 -10.203 1.00 10.81 C ATOM 1536 O LEU A 173 -27.725 -12.358 -9.716 1.00 12.73 O ATOM 1537 CB LEU A 173 -26.621 -10.753 -12.105 1.00 12.06 C ATOM 1538 CG LEU A 173 -26.700 -10.456 -13.602 1.00 13.60 C ATOM 1539 CD1 LEU A 173 -27.093 -8.994 -13.808 1.00 16.25 C ATOM 1540 CD2 LEU A 173 -25.390 -10.753 -14.281 1.00 15.66 C ATOM 1541 H LEU A 173 -28.345 -12.996 -12.205 1.00 0.00 H ATOM 1542 N VAL A 174 -25.502 -12.494 -9.466 1.00 10.38 N ATOM 1543 CA VAL A 174 -25.556 -12.575 -8.014 1.00 10.33 C ATOM 1544 C VAL A 174 -24.581 -11.546 -7.471 1.00 9.47 C ATOM 1545 O VAL A 174 -23.379 -11.626 -7.743 1.00 10.64 O ATOM 1546 CB VAL A 174 -25.224 -13.989 -7.506 1.00 12.16 C ATOM 1547 CG1 VAL A 174 -25.234 -14.036 -5.989 1.00 14.59 C ATOM 1548 CG2 VAL A 174 -26.207 -14.997 -8.090 1.00 13.58 C ATOM 1549 H VAL A 174 -24.577 -12.537 -9.939 1.00 0.00 H ATOM 1550 N ALA A 175 -25.092 -10.563 -6.741 1.00 9.67 N ATOM 1551 CA ALA A 175 -24.264 -9.498 -6.199 1.00 10.50 C ATOM 1552 C ALA A 175 -23.972 -9.782 -4.737 1.00 11.23 C ATOM 1553 O ALA A 175 -24.884 -10.095 -3.970 1.00 15.01 O ATOM 1554 CB ALA A 175 -24.945 -8.143 -6.357 1.00 12.89 C ATOM 1555 H ALA A 175 -26.114 -10.554 -6.551 1.00 0.00 H ATOM 1556 N THR A 176 -22.705 -9.693 -4.351 1.00 10.19 N ATOM 1557 CA THR A 176 -22.330 -10.065 -2.999 1.00 10.82 C ATOM 1558 C THR A 176 -21.286 -9.101 -2.464 1.00 10.32 C ATOM 1559 O THR A 176 -20.839 -8.177 -3.155 1.00 10.35 O ATOM 1560 CB THR A 176 -21.873 -11.527 -2.923 1.00 14.41 C ATOM 1561 OG1 THR A 176 -21.765 -11.950 -1.552 1.00 15.46 O ATOM 1562 CG2 THR A 176 -20.541 -11.703 -3.591 1.00 15.46 C ATOM 1563 HG1 THR A 176 -22.647 -11.865 -1.111 1.00 0.00 H ATOM 1564 H THR A 176 -21.981 -9.357 -5.017 1.00 0.00 H ATOM 1565 N VAL A 177 -20.930 -9.319 -1.198 1.00 12.66 N ATOM 1566 CA VAL A 177 -19.904 -8.521 -0.548 1.00 14.21 C ATOM 1567 C VAL A 177 -18.558 -8.735 -1.237 1.00 13.03 C ATOM 1568 O VAL A 177 -18.257 -9.818 -1.753 1.00 15.58 O ATOM 1569 CB VAL A 177 -19.838 -8.929 0.934 1.00 17.32 C ATOM 1570 CG1 VAL A 177 -19.415 -10.412 1.090 1.00 19.80 C ATOM 1571 CG2 VAL A 177 -18.943 -7.992 1.725 1.00 20.22 C ATOM 1572 H VAL A 177 -21.398 -10.078 -0.663 1.00 0.00 H ATOM 1573 N HIS A 178 -17.752 -7.689 -1.269 1.00 12.55 N ATOM 1574 CA HIS A 178 -16.393 -7.842 -1.764 1.00 11.93 C ATOM 1575 C HIS A 178 -15.529 -8.513 -0.692 1.00 11.78 C ATOM 1576 O HIS A 178 -15.625 -8.156 0.491 1.00 12.20 O ATOM 1577 CB HIS A 178 -15.810 -6.478 -2.091 1.00 12.07 C ATOM 1578 CG HIS A 178 -14.535 -6.547 -2.866 1.00 12.70 C ATOM 1579 ND1 HIS A 178 -13.337 -6.918 -2.298 1.00 13.36 N ATOM 1580 CD2 HIS A 178 -14.275 -6.312 -4.174 1.00 15.23 C ATOM 1581 CE1 HIS A 178 -12.389 -6.884 -3.219 1.00 13.96 C ATOM 1582 NE2 HIS A 178 -12.935 -6.528 -4.367 1.00 15.03 N ATOM 1583 H HIS A 178 -18.088 -6.761 -0.942 1.00 0.00 H ATOM 1584 N PRO A 179 -14.671 -9.473 -1.067 1.00 11.67 N ATOM 1585 CA PRO A 179 -13.855 -10.145 -0.043 1.00 12.04 C ATOM 1586 C PRO A 179 -12.992 -9.207 0.778 1.00 11.79 C ATOM 1587 O PRO A 179 -12.710 -9.520 1.939 1.00 12.78 O ATOM 1588 CB PRO A 179 -13.010 -11.150 -0.841 1.00 13.98 C ATOM 1589 CG PRO A 179 -13.081 -10.688 -2.251 1.00 16.29 C ATOM 1590 CD PRO A 179 -14.458 -10.068 -2.396 1.00 13.59 C ATOM 1591 N SER A 180 -12.547 -8.079 0.215 1.00 12.65 N ATOM 1592 CA SER A 180 -11.728 -7.155 0.995 1.00 14.25 C ATOM 1593 C SER A 180 -12.489 -6.620 2.205 1.00 14.30 C ATOM 1594 O SER A 180 -11.885 -6.345 3.247 1.00 16.06 O ATOM 1595 CB SER A 180 -11.202 -6.023 0.110 1.00 18.67 C ATOM 1596 OG SER A 180 -12.255 -5.252 -0.430 1.00 25.79 O ATOM 1597 HG SER A 180 -12.839 -5.832 -0.979 1.00 0.00 H ATOM 1598 H SER A 180 -12.783 -7.860 -0.774 1.00 0.00 H ATOM 1599 N SER A 181 -13.816 -6.502 2.100 1.00 13.95 N ATOM 1600 CA SER A 181 -14.625 -6.028 3.216 1.00 15.00 C ATOM 1601 C SER A 181 -14.627 -7.002 4.384 1.00 15.08 C ATOM 1602 O SER A 181 -14.954 -6.604 5.507 1.00 19.35 O ATOM 1603 CB SER A 181 -16.066 -5.817 2.756 1.00 16.50 C ATOM 1604 OG SER A 181 -16.122 -4.921 1.660 1.00 19.19 O ATOM 1605 HG SER A 181 -17.064 -4.801 1.381 1.00 0.00 H ATOM 1606 H SER A 181 -14.281 -6.753 1.204 1.00 0.00 H ATOM 1607 N LEU A 182 -14.294 -8.264 4.147 1.00 14.31 N ATOM 1608 CA LEU A 182 -14.311 -9.285 5.183 1.00 15.46 C ATOM 1609 C LEU A 182 -12.979 -9.418 5.903 1.00 16.43 C ATOM 1610 O LEU A 182 -12.868 -10.247 6.813 1.00 17.21 O ATOM 1611 CB LEU A 182 -14.690 -10.640 4.576 1.00 15.96 C ATOM 1612 CG LEU A 182 -15.895 -10.716 3.625 1.00 21.44 C ATOM 1613 CD1 LEU A 182 -16.385 -12.151 3.451 1.00 19.75 C ATOM 1614 CD2 LEU A 182 -17.021 -9.796 4.029 1.00 22.89 C ATOM 1615 H LEU A 182 -14.010 -8.534 3.184 1.00 0.00 H ATOM 1616 N LEU A 183 -11.968 -8.637 5.516 1.00 15.59 N ATOM 1617 CA LEU A 183 -10.643 -8.793 6.107 1.00 17.84 C ATOM 1618 C LEU A 183 -10.533 -8.137 7.474 1.00 22.04 C ATOM 1619 O LEU A 183 -9.733 -8.589 8.305 1.00 23.65 O ATOM 1620 CB LEU A 183 -9.582 -8.211 5.180 1.00 18.12 C ATOM 1621 CG LEU A 183 -9.356 -8.967 3.876 1.00 18.18 C ATOM 1622 CD1 LEU A 183 -8.536 -8.108 2.940 1.00 18.82 C ATOM 1623 CD2 LEU A 183 -8.674 -10.305 4.133 1.00 19.83 C ATOM 1624 H LEU A 183 -12.126 -7.912 4.788 1.00 0.00 H ATOM 1625 N ARG A 184 -11.323 -7.093 7.719 1.00 24.55 N ATOM 1626 CA ARG A 184 -11.207 -6.233 8.887 1.00 30.11 C ATOM 1627 C ARG A 184 -12.531 -6.189 9.638 1.00 30.63 C ATOM 1628 O ARG A 184 -13.606 -6.385 9.064 1.00 32.16 O ATOM 1629 CB ARG A 184 -10.841 -4.795 8.473 1.00 34.77 C ATOM 1630 CG ARG A 184 -12.005 -3.997 7.847 1.00 38.98 C ATOM 1631 CD ARG A 184 -12.745 -3.139 8.887 1.00 41.33 C ATOM 1632 NE ARG A 184 -14.058 -2.693 8.427 1.00 43.19 N ATOM 1633 CZ ARG A 184 -14.257 -1.578 7.737 1.00 45.01 C ATOM 1634 NH1 ARG A 184 -15.478 -1.229 7.350 1.00 46.09 N ATOM 1635 NH2 ARG A 184 -13.225 -0.803 7.446 1.00 45.79 N ATOM 1636 HE ARG A 184 -14.884 -3.283 8.654 1.00 0.00 H ATOM 1637 HH12 ARG A 184 -15.621 -0.352 6.809 1.00 0.00 H ATOM 1638 HH11 ARG A 184 -16.291 -1.832 7.587 1.00 0.00 H ATOM 1639 HH22 ARG A 184 -13.369 0.074 6.905 1.00 0.00 H ATOM 1640 HH21 ARG A 184 -12.270 -1.070 7.758 1.00 0.00 H ATOM 1641 H ARG A 184 -12.072 -6.878 7.030 1.00 0.00 H ATOM 1642 N GLY A 185 -12.446 -5.880 10.927 1.00 30.27 N ATOM 1643 CA GLY A 185 -13.629 -5.671 11.727 1.00 29.83 C ATOM 1644 C GLY A 185 -13.736 -6.664 12.863 1.00 28.23 C ATOM 1645 O GLY A 185 -12.923 -7.586 12.987 1.00 27.31 O ATOM 1646 H GLY A 185 -11.509 -5.787 11.368 1.00 0.00 H ATOM 1647 N PRO A 186 -14.739 -6.486 13.724 1.00 28.31 N ATOM 1648 CA PRO A 186 -14.937 -7.435 14.827 1.00 27.70 C ATOM 1649 C PRO A 186 -15.138 -8.850 14.309 1.00 26.36 C ATOM 1650 O PRO A 186 -15.782 -9.080 13.280 1.00 25.52 O ATOM 1651 CB PRO A 186 -16.189 -6.910 15.544 1.00 28.85 C ATOM 1652 CG PRO A 186 -16.777 -5.868 14.658 1.00 29.97 C ATOM 1653 CD PRO A 186 -15.690 -5.363 13.765 1.00 29.15 C ATOM 1654 N LYS A 187 -14.571 -9.808 15.038 1.00 26.75 N ATOM 1655 CA LYS A 187 -14.496 -11.167 14.519 1.00 27.39 C ATOM 1656 C LYS A 187 -15.876 -11.767 14.245 1.00 25.46 C ATOM 1657 O LYS A 187 -16.076 -12.406 13.205 1.00 23.57 O ATOM 1658 CB LYS A 187 -13.603 -12.036 15.410 1.00 30.09 C ATOM 1659 CG LYS A 187 -13.776 -13.525 15.235 1.00 32.56 C ATOM 1660 CD LYS A 187 -14.876 -14.049 16.148 1.00 35.81 C ATOM 1661 CE LYS A 187 -14.750 -15.524 16.369 1.00 37.57 C ATOM 1662 NZ LYS A 187 -13.427 -15.935 16.864 1.00 38.51 N ATOM 1663 HZ1 LYS A 187 -12.699 -15.661 16.173 1.00 0.00 H ATOM 1664 HZ2 LYS A 187 -13.238 -15.467 17.773 1.00 0.00 H ATOM 1665 HZ3 LYS A 187 -13.412 -16.967 16.994 1.00 0.00 H ATOM 1666 H LYS A 187 -14.182 -9.587 15.977 1.00 0.00 H ATOM 1667 N GLU A 188 -16.845 -11.568 15.146 1.00 26.67 N ATOM 1668 CA GLU A 188 -18.156 -12.184 14.933 1.00 28.30 C ATOM 1669 C GLU A 188 -18.807 -11.648 13.668 1.00 26.16 C ATOM 1670 O GLU A 188 -19.472 -12.386 12.930 1.00 24.58 O ATOM 1671 CB GLU A 188 -19.071 -11.949 16.135 1.00 32.04 C ATOM 1672 CG GLU A 188 -20.224 -12.929 16.204 1.00 36.42 C ATOM 1673 CD GLU A 188 -21.340 -12.497 17.137 1.00 39.69 C ATOM 1674 OE1 GLU A 188 -21.110 -11.610 17.988 1.00 41.11 O ATOM 1675 OE2 GLU A 188 -22.454 -13.052 17.020 1.00 41.18 O ATOM 1676 H GLU A 188 -16.669 -10.983 15.988 1.00 0.00 H ATOM 1677 N GLU A 189 -18.610 -10.359 13.400 1.00 25.38 N ATOM 1678 CA GLU A 189 -19.158 -9.745 12.199 1.00 24.97 C ATOM 1679 C GLU A 189 -18.457 -10.267 10.952 1.00 21.30 C ATOM 1680 O GLU A 189 -19.109 -10.530 9.936 1.00 20.62 O ATOM 1681 CB GLU A 189 -18.994 -8.235 12.323 1.00 29.00 C ATOM 1682 CG GLU A 189 -19.879 -7.375 11.511 1.00 34.96 C ATOM 1683 CD GLU A 189 -19.216 -6.934 10.239 1.00 38.74 C ATOM 1684 OE1 GLU A 189 -18.349 -7.685 9.723 1.00 40.89 O ATOM 1685 OE2 GLU A 189 -19.431 -5.787 9.788 1.00 41.46 O ATOM 1686 H GLU A 189 -18.054 -9.780 14.061 1.00 0.00 H ATOM 1687 N ARG A 190 -17.129 -10.420 11.007 1.00 19.55 N ATOM 1688 CA ARG A 190 -16.401 -11.019 9.889 1.00 18.52 C ATOM 1689 C ARG A 190 -16.869 -12.444 9.630 1.00 16.92 C ATOM 1690 O ARG A 190 -16.983 -12.869 8.475 1.00 17.06 O ATOM 1691 CB ARG A 190 -14.898 -11.014 10.167 1.00 19.54 C ATOM 1692 CG ARG A 190 -14.266 -9.644 10.075 1.00 20.89 C ATOM 1693 CD ARG A 190 -12.755 -9.714 10.157 1.00 23.39 C ATOM 1694 NE ARG A 190 -12.305 -9.991 11.515 1.00 25.98 N ATOM 1695 CZ ARG A 190 -11.757 -11.137 11.903 1.00 28.60 C ATOM 1696 NH1 ARG A 190 -11.589 -12.128 11.035 1.00 29.20 N ATOM 1697 NH2 ARG A 190 -11.379 -11.291 13.162 1.00 30.37 N ATOM 1698 HE ARG A 190 -12.421 -9.242 12.227 1.00 0.00 H ATOM 1699 HH12 ARG A 190 -11.159 -13.023 11.344 1.00 0.00 H ATOM 1700 HH11 ARG A 190 -11.887 -12.009 10.046 1.00 0.00 H ATOM 1701 HH22 ARG A 190 -10.949 -12.187 13.470 1.00 0.00 H ATOM 1702 HH21 ARG A 190 -11.511 -10.516 13.843 1.00 0.00 H ATOM 1703 H ARG A 190 -16.609 -10.110 11.853 1.00 0.00 H ATOM 1704 N GLU A 191 -17.139 -13.204 10.692 1.00 15.62 N ATOM 1705 CA GLU A 191 -17.525 -14.599 10.507 1.00 15.43 C ATOM 1706 C GLU A 191 -18.929 -14.719 9.945 1.00 13.71 C ATOM 1707 O GLU A 191 -19.190 -15.575 9.094 1.00 13.39 O ATOM 1708 CB GLU A 191 -17.386 -15.352 11.820 1.00 18.78 C ATOM 1709 CG GLU A 191 -15.932 -15.507 12.170 1.00 21.16 C ATOM 1710 CD GLU A 191 -15.691 -16.210 13.478 1.00 26.15 C ATOM 1711 OE1 GLU A 191 -16.640 -16.369 14.270 1.00 29.80 O ATOM 1712 OE2 GLU A 191 -14.530 -16.600 13.716 1.00 28.05 O ATOM 1713 H GLU A 191 -17.075 -12.803 11.650 1.00 0.00 H ATOM 1714 N SER A 192 -19.844 -13.870 10.403 1.00 15.19 N ATOM 1715 CA SER A 192 -21.171 -13.862 9.811 1.00 17.04 C ATOM 1716 C SER A 192 -21.100 -13.437 8.352 1.00 15.95 C ATOM 1717 O SER A 192 -21.759 -14.032 7.493 1.00 16.12 O ATOM 1718 CB SER A 192 -22.101 -12.945 10.601 1.00 20.84 C ATOM 1719 OG SER A 192 -23.389 -12.958 10.012 1.00 26.39 O ATOM 1720 HG SER A 192 -23.991 -12.363 10.525 1.00 0.00 H ATOM 1721 H SER A 192 -19.612 -13.217 11.179 1.00 0.00 H ATOM 1722 N ALA A 193 -20.275 -12.429 8.045 1.00 15.61 N ATOM 1723 CA ALA A 193 -20.154 -11.977 6.664 1.00 15.41 C ATOM 1724 C ALA A 193 -19.544 -13.057 5.780 1.00 13.59 C ATOM 1725 O ALA A 193 -19.958 -13.228 4.629 1.00 13.68 O ATOM 1726 CB ALA A 193 -19.343 -10.682 6.599 1.00 16.48 C ATOM 1727 H ALA A 193 -19.719 -11.967 8.793 1.00 0.00 H ATOM 1728 N PHE A 194 -18.561 -13.799 6.301 1.00 12.16 N ATOM 1729 CA PHE A 194 -17.957 -14.871 5.517 1.00 11.79 C ATOM 1730 C PHE A 194 -18.987 -15.946 5.174 1.00 10.64 C ATOM 1731 O PHE A 194 -19.044 -16.421 4.031 1.00 11.14 O ATOM 1732 CB PHE A 194 -16.764 -15.467 6.266 1.00 11.90 C ATOM 1733 CG PHE A 194 -16.053 -16.539 5.497 1.00 11.54 C ATOM 1734 CD1 PHE A 194 -15.023 -16.221 4.634 1.00 12.21 C ATOM 1735 CD2 PHE A 194 -16.419 -17.867 5.630 1.00 11.88 C ATOM 1736 CE1 PHE A 194 -14.370 -17.203 3.908 1.00 13.45 C ATOM 1737 CE2 PHE A 194 -15.784 -18.852 4.906 1.00 11.66 C ATOM 1738 CZ PHE A 194 -14.746 -18.524 4.050 1.00 13.39 C ATOM 1739 H PHE A 194 -18.226 -13.611 7.268 1.00 0.00 H ATOM 1740 N ALA A 195 -19.822 -16.324 6.148 1.00 11.50 N ATOM 1741 CA ALA A 195 -20.873 -17.304 5.896 1.00 12.15 C ATOM 1742 C ALA A 195 -21.826 -16.826 4.807 1.00 11.82 C ATOM 1743 O ALA A 195 -22.273 -17.620 3.970 1.00 12.24 O ATOM 1744 CB ALA A 195 -21.623 -17.596 7.194 1.00 13.24 C ATOM 1745 H ALA A 195 -19.721 -15.914 7.098 1.00 0.00 H ATOM 1746 N GLY A 196 -22.155 -15.530 4.808 1.00 13.27 N ATOM 1747 CA GLY A 196 -23.026 -14.990 3.774 1.00 13.55 C ATOM 1748 C GLY A 196 -22.387 -15.003 2.394 1.00 12.23 C ATOM 1749 O GLY A 196 -23.069 -15.211 1.387 1.00 14.11 O ATOM 1750 H GLY A 196 -21.786 -14.904 5.552 1.00 0.00 H ATOM 1751 N LEU A 197 -21.074 -14.768 2.323 1.00 12.32 N ATOM 1752 CA LEU A 197 -20.377 -14.886 1.045 1.00 12.00 C ATOM 1753 C LEU A 197 -20.441 -16.318 0.525 1.00 11.61 C ATOM 1754 O LEU A 197 -20.734 -16.550 -0.654 1.00 12.76 O ATOM 1755 CB LEU A 197 -18.925 -14.420 1.177 1.00 12.43 C ATOM 1756 CG LEU A 197 -18.034 -14.628 -0.048 1.00 12.64 C ATOM 1757 CD1 LEU A 197 -18.590 -13.897 -1.270 1.00 13.46 C ATOM 1758 CD2 LEU A 197 -16.606 -14.178 0.263 1.00 13.12 C ATOM 1759 H LEU A 197 -20.547 -14.501 3.179 1.00 0.00 H ATOM 1760 N VAL A 198 -20.182 -17.299 1.399 1.00 11.44 N ATOM 1761 CA VAL A 198 -20.298 -18.699 0.997 1.00 11.49 C ATOM 1762 C VAL A 198 -21.705 -18.989 0.484 1.00 11.65 C ATOM 1763 O VAL A 198 -21.876 -19.662 -0.542 1.00 13.23 O ATOM 1764 CB VAL A 198 -19.892 -19.639 2.151 1.00 10.89 C ATOM 1765 CG1 VAL A 198 -20.161 -21.088 1.775 1.00 12.48 C ATOM 1766 CG2 VAL A 198 -18.420 -19.467 2.483 1.00 12.44 C ATOM 1767 H VAL A 198 -19.896 -17.063 2.371 1.00 0.00 H ATOM 1768 N ASP A 199 -22.733 -18.490 1.187 1.00 12.99 N ATOM 1769 CA ASP A 199 -24.110 -18.706 0.751 1.00 14.13 C ATOM 1770 C ASP A 199 -24.336 -18.155 -0.647 1.00 13.22 C ATOM 1771 O ASP A 199 -24.989 -18.795 -1.482 1.00 13.98 O ATOM 1772 CB ASP A 199 -25.084 -18.000 1.696 1.00 16.53 C ATOM 1773 CG ASP A 199 -25.235 -18.688 3.015 1.00 19.03 C ATOM 1774 OD1 ASP A 199 -24.921 -19.889 3.107 1.00 20.38 O ATOM 1775 OD2 ASP A 199 -25.711 -18.016 3.954 1.00 22.07 O ATOM 1776 H ASP A 199 -22.547 -17.943 2.052 1.00 0.00 H ATOM 1777 N ASP A 200 -23.853 -16.935 -0.897 1.00 12.39 N ATOM 1778 CA ASP A 200 -24.072 -16.314 -2.196 1.00 13.53 C ATOM 1779 C ASP A 200 -23.327 -17.056 -3.303 1.00 11.97 C ATOM 1780 O ASP A 200 -23.851 -17.206 -4.416 1.00 12.49 O ATOM 1781 CB ASP A 200 -23.696 -14.830 -2.154 1.00 14.43 C ATOM 1782 CG ASP A 200 -24.573 -14.019 -1.196 1.00 16.18 C ATOM 1783 OD1 ASP A 200 -25.666 -14.480 -0.791 1.00 17.19 O ATOM 1784 OD2 ASP A 200 -24.176 -12.887 -0.859 1.00 17.77 O ATOM 1785 H ASP A 200 -23.319 -16.428 -0.163 1.00 0.00 H ATOM 1786 N LEU A 201 -22.105 -17.530 -3.020 1.00 11.93 N ATOM 1787 CA LEU A 201 -21.380 -18.337 -3.999 1.00 12.71 C ATOM 1788 C LEU A 201 -22.133 -19.627 -4.296 1.00 13.13 C ATOM 1789 O LEU A 201 -22.179 -20.084 -5.444 1.00 13.45 O ATOM 1790 CB LEU A 201 -19.963 -18.635 -3.493 1.00 12.49 C ATOM 1791 CG LEU A 201 -19.073 -17.399 -3.339 1.00 12.15 C ATOM 1792 CD1 LEU A 201 -17.780 -17.754 -2.617 1.00 14.02 C ATOM 1793 CD2 LEU A 201 -18.775 -16.778 -4.704 1.00 14.54 C ATOM 1794 H LEU A 201 -21.671 -17.322 -2.098 1.00 0.00 H ATOM 1795 N ARG A 202 -22.761 -20.210 -3.273 1.00 13.30 N ATOM 1796 CA ARG A 202 -23.542 -21.424 -3.483 1.00 14.52 C ATOM 1797 C ARG A 202 -24.790 -21.144 -4.316 1.00 15.24 C ATOM 1798 O ARG A 202 -25.159 -21.958 -5.170 1.00 16.99 O ATOM 1799 CB ARG A 202 -23.911 -22.054 -2.138 1.00 16.43 C ATOM 1800 CG ARG A 202 -22.754 -22.762 -1.428 1.00 19.93 C ATOM 1801 CD ARG A 202 -22.073 -23.754 -2.356 1.00 27.52 C ATOM 1802 NE ARG A 202 -23.060 -24.455 -3.171 1.00 32.23 N ATOM 1803 CZ ARG A 202 -22.780 -25.197 -4.235 1.00 33.89 C ATOM 1804 NH1 ARG A 202 -21.530 -25.367 -4.644 1.00 32.13 N ATOM 1805 NH2 ARG A 202 -23.776 -25.769 -4.892 1.00 36.02 N ATOM 1806 HE ARG A 202 -24.059 -24.366 -2.897 1.00 0.00 H ATOM 1807 HH12 ARG A 202 -21.332 -25.952 -5.480 1.00 0.00 H ATOM 1808 HH11 ARG A 202 -20.748 -24.915 -4.128 1.00 0.00 H ATOM 1809 HH22 ARG A 202 -23.579 -26.355 -5.729 1.00 0.00 H ATOM 1810 HH21 ARG A 202 -24.756 -25.633 -4.572 1.00 0.00 H ATOM 1811 H ARG A 202 -22.693 -19.797 -2.321 1.00 0.00 H ATOM 1812 N VAL A 203 -25.441 -19.992 -4.098 1.00 15.39 N ATOM 1813 CA VAL A 203 -26.559 -19.587 -4.953 1.00 14.96 C ATOM 1814 C VAL A 203 -26.113 -19.542 -6.409 1.00 15.07 C ATOM 1815 O VAL A 203 -26.776 -20.084 -7.301 1.00 16.29 O ATOM 1816 CB VAL A 203 -27.133 -18.231 -4.494 1.00 15.80 C ATOM 1817 CG1 VAL A 203 -28.064 -17.645 -5.551 1.00 17.31 C ATOM 1818 CG2 VAL A 203 -27.858 -18.363 -3.159 1.00 18.15 C ATOM 1819 H VAL A 203 -25.148 -19.378 -3.311 1.00 0.00 H ATOM 1820 N ALA A 204 -24.967 -18.907 -6.665 1.00 14.23 N ATOM 1821 CA ALA A 204 -24.454 -18.804 -8.026 1.00 14.45 C ATOM 1822 C ALA A 204 -24.156 -20.178 -8.607 1.00 15.54 C ATOM 1823 O ALA A 204 -24.518 -20.468 -9.752 1.00 16.18 O ATOM 1824 CB ALA A 204 -23.197 -17.936 -8.039 1.00 14.41 C ATOM 1825 H ALA A 204 -24.432 -18.479 -5.882 1.00 0.00 H ATOM 1826 N ALA A 205 -23.514 -21.048 -7.822 1.00 16.20 N ATOM 1827 CA ALA A 205 -23.146 -22.365 -8.325 1.00 18.87 C ATOM 1828 C ALA A 205 -24.362 -23.240 -8.591 1.00 21.80 C ATOM 1829 O ALA A 205 -24.277 -24.179 -9.392 1.00 24.11 O ATOM 1830 CB ALA A 205 -22.199 -23.054 -7.344 1.00 19.32 C ATOM 1831 H ALA A 205 -23.275 -20.783 -6.845 1.00 0.00 H ATOM 1832 N ASP A 206 -25.492 -22.944 -7.958 1.00 21.42 N ATOM 1833 CA ASP A 206 -26.709 -23.728 -8.124 1.00 24.82 C ATOM 1834 C ASP A 206 -27.565 -23.262 -9.295 1.00 25.85 C ATOM 1835 O ASP A 206 -28.586 -23.898 -9.585 1.00 26.28 O ATOM 1836 CB ASP A 206 -27.525 -23.709 -6.826 1.00 28.78 C ATOM 1837 CG ASP A 206 -26.958 -24.645 -5.764 1.00 34.66 C ATOM 1838 OD1 ASP A 206 -26.287 -25.634 -6.132 1.00 36.19 O ATOM 1839 OD2 ASP A 206 -27.186 -24.390 -4.560 1.00 36.91 O ATOM 1840 H ASP A 206 -25.509 -22.122 -7.321 1.00 0.00 H ATOM 1841 N VAL A 207 -27.180 -22.178 -9.972 1.00 26.97 N ATOM 1842 CA VAL A 207 -27.937 -21.696 -11.122 1.00 29.29 C ATOM 1843 C VAL A 207 -27.869 -22.725 -12.239 1.00 34.18 C ATOM 1844 O VAL A 207 -26.780 -23.134 -12.665 1.00 33.26 O ATOM 1845 CB VAL A 207 -27.402 -20.332 -11.584 1.00 27.16 C ATOM 1846 CG1 VAL A 207 -27.858 -20.032 -13.014 1.00 28.52 C ATOM 1847 CG2 VAL A 207 -27.852 -19.234 -10.633 1.00 26.63 C ATOM 1848 H VAL A 207 -26.324 -21.667 -9.674 1.00 0.00 H ATOM 1849 N ARG A 208 -29.039 -23.142 -12.718 1.00 38.35 N ATOM 1850 CA ARG A 208 -29.182 -24.139 -13.783 1.00 43.44 C ATOM 1851 C ARG A 208 -28.423 -25.436 -13.519 1.00 44.66 C ATOM 1852 O ARG A 208 -28.802 -26.222 -12.647 1.00 45.89 O ATOM 1853 CB ARG A 208 -28.807 -23.546 -15.143 1.00 45.40 C ATOM 1854 CG ARG A 208 -29.844 -22.574 -15.670 1.00 47.62 C ATOM 1855 CD ARG A 208 -29.412 -21.962 -16.986 1.00 50.36 C ATOM 1856 NE ARG A 208 -30.449 -21.096 -17.538 1.00 52.69 N ATOM 1857 CZ ARG A 208 -30.313 -20.387 -18.653 1.00 54.26 C ATOM 1858 NH1 ARG A 208 -29.179 -20.442 -19.338 1.00 54.97 N ATOM 1859 NH2 ARG A 208 -31.309 -19.623 -19.083 1.00 54.48 N ATOM 1860 HE ARG A 208 -31.352 -21.030 -17.026 1.00 0.00 H ATOM 1861 HH12 ARG A 208 -29.071 -19.887 -20.211 1.00 0.00 H ATOM 1862 HH11 ARG A 208 -28.397 -21.040 -19.002 1.00 0.00 H ATOM 1863 HH22 ARG A 208 -31.200 -19.069 -19.956 1.00 0.00 H ATOM 1864 HH21 ARG A 208 -32.199 -19.578 -18.547 1.00 0.00 H ATOM 1865 H ARG A 208 -29.905 -22.735 -12.311 1.00 0.00 H TER 1866 ARG A 208 HETATM 1867 O HOH 1 -2.500 -5.418 -2.680 1.00 31.43 O HETATM 1868 O HOH 2 -24.199 -22.342 -12.053 1.00 45.47 O HETATM 1869 O HOH 3 -33.376 -5.963 -18.649 1.00 29.21 O HETATM 1870 O HOH 4 -5.063 10.672 -15.725 1.00 44.32 O HETATM 1871 O HOH 5 -20.166 -28.849 -4.823 1.00 39.81 O HETATM 1872 O HOH 6 -26.323 -7.197 -22.919 1.00 39.11 O HETATM 1873 O HOH 7 6.400 2.772 4.069 1.00 54.46 O HETATM 1874 O HOH 8 -21.063 5.168 -8.423 1.00 31.62 O HETATM 1875 O HOH 9 -27.778 -12.993 -21.391 1.00 33.03 O HETATM 1876 O HOH 10 -15.777 -30.161 -1.485 1.00 39.74 O HETATM 1877 O HOH 11 -26.563 -14.302 -21.779 1.00 32.71 O HETATM 1878 O HOH 12 -3.835 -14.680 3.644 1.00 49.28 O HETATM 1879 O HOH 13 -15.041 2.120 -31.631 1.00 45.33 O HETATM 1880 O HOH 14 -36.506 -8.608 -22.433 1.00 53.40 O HETATM 1881 O HOH 15 -31.252 -22.630 -11.868 1.00 47.86 O HETATM 1882 O HOH 16 -27.959 -0.351 2.354 1.00 26.04 O HETATM 1883 O HOH 17 -21.845 -11.555 3.576 1.00 25.32 O HETATM 1884 O HOH 18 -25.131 -17.860 6.358 1.00 20.26 O HETATM 1885 O HOH 19 -14.455 -27.384 -22.305 1.00 54.67 O HETATM 1886 O HOH 20 -32.186 -10.306 -0.146 1.00 38.41 O HETATM 1887 O HOH 21 -34.093 -10.071 -20.170 1.00 48.40 O HETATM 1888 O HOH 22 2.980 6.780 -17.274 1.00 56.49 O HETATM 1889 O HOH 23 -18.650 -25.225 -19.617 1.00 35.82 O HETATM 1890 O HOH 24 2.946 7.812 -14.247 1.00 42.70 O HETATM 1891 O HOH 25 -11.043 1.433 -4.114 1.00 23.42 O HETATM 1892 O HOH 26 -27.232 -6.556 3.834 1.00 31.34 O HETATM 1893 O HOH 27 -16.190 -26.536 -23.391 1.00 45.70 O HETATM 1894 O HOH 28 -26.417 -12.159 -3.213 1.00 23.32 O HETATM 1895 O HOH 29 -25.243 -11.344 10.745 1.00 49.36 O HETATM 1896 O HOH 30 -11.373 -23.312 -5.237 1.00 32.07 O HETATM 1897 O HOH 31 -5.986 -12.368 -19.336 1.00 44.95 O HETATM 1898 O HOH 32 1.049 3.913 1.358 1.00 31.52 O HETATM 1899 O HOH 33 -30.138 -16.891 -17.121 1.00 39.79 O HETATM 1900 O HOH 34 -19.176 -2.911 -25.650 1.00 26.27 O HETATM 1901 O HOH 35 -27.482 -18.520 -19.801 1.00 38.52 O HETATM 1902 O HOH 36 -22.109 -2.349 -20.825 1.00 51.42 O HETATM 1903 O HOH 37 -19.869 1.353 -20.885 1.00 37.70 O HETATM 1904 O HOH 38 -11.991 -12.406 8.007 1.00 25.99 O HETATM 1905 O HOH 39 -17.201 -22.121 -13.902 1.00 20.34 O HETATM 1906 O HOH 40 -16.875 2.749 -8.702 1.00 30.74 O HETATM 1907 O HOH 41 -20.973 -14.852 -27.323 1.00 23.79 O HETATM 1908 O HOH 42 -32.704 -1.544 -3.372 1.00 18.07 O HETATM 1909 O HOH 43 -19.501 1.092 -26.236 1.00 31.29 O HETATM 1910 O HOH 44 -34.971 -4.277 -20.365 1.00 53.17 O HETATM 1911 O HOH 45 -23.705 -15.556 -21.065 1.00 34.85 O HETATM 1912 O HOH 46 -23.691 -11.061 8.166 1.00 44.08 O HETATM 1913 O HOH 47 -28.783 7.221 -7.530 1.00 39.13 O HETATM 1914 O HOH 48 3.531 4.699 -11.896 1.00 43.65 O HETATM 1915 O HOH 49 -18.258 -21.929 -22.780 1.00 27.22 O HETATM 1916 O HOH 50 -7.813 -18.856 -21.030 1.00 35.50 O HETATM 1917 O HOH 51 -2.261 -12.117 -23.904 1.00 36.55 O HETATM 1918 O HOH 52 -3.709 -7.358 -20.136 1.00 32.93 O HETATM 1919 O HOH 53 -1.344 -14.715 -2.167 1.00 33.06 O HETATM 1920 O HOH 54 -27.754 -10.490 -5.832 1.00 16.29 O HETATM 1921 O HOH 55 -0.495 -10.899 -0.341 1.00 43.74 O HETATM 1922 O HOH 56 -12.290 -23.257 3.051 1.00 13.19 O HETATM 1923 O HOH 57 1.522 -9.739 -16.934 1.00 21.86 O HETATM 1924 O HOH 58 -9.957 -4.580 3.925 1.00 51.26 O HETATM 1925 O HOH 59 -6.411 -9.655 -3.542 1.00 15.39 O HETATM 1926 O HOH 60 -26.973 -15.651 3.598 1.00 30.68 O HETATM 1927 O HOH 61 -2.127 1.494 -22.185 1.00 22.18 O HETATM 1928 O HOH 62 -11.987 9.865 -9.923 1.00 25.53 O HETATM 1929 O HOH 63 -30.961 -0.745 -10.686 1.00 20.58 O HETATM 1930 O HOH 64 -3.401 4.404 -12.316 1.00 15.30 O HETATM 1931 O HOH 65 -9.059 -8.139 -14.050 1.00 20.12 O HETATM 1932 O HOH 66 -19.238 -24.637 3.599 1.00 20.09 O HETATM 1933 O HOH 67 -1.718 2.668 -26.358 1.00 21.84 O HETATM 1934 O HOH 68 -22.067 -18.035 -29.672 1.00 25.69 O HETATM 1935 O HOH 69 -13.205 10.090 -13.845 1.00 28.65 O HETATM 1936 O HOH 70 -24.326 -19.119 -20.928 1.00 28.78 O HETATM 1937 O HOH 71 -14.649 -12.800 7.064 1.00 26.44 O HETATM 1938 O HOH 72 -28.991 -10.761 -20.386 1.00 26.30 O HETATM 1939 O HOH 73 -28.014 -18.936 -16.790 1.00 24.47 O HETATM 1940 O HOH 74 -29.407 -20.824 -7.290 1.00 27.56 O HETATM 1941 O HOH 75 -6.802 -19.132 0.952 1.00 17.70 O HETATM 1942 O HOH 76 -17.888 -17.973 9.286 1.00 13.11 O HETATM 1943 O HOH 77 -8.237 8.895 -12.246 1.00 33.96 O HETATM 1944 O HOH 78 -5.247 -19.079 -1.189 1.00 25.36 O HETATM 1945 O HOH 79 -16.085 -26.063 -9.191 1.00 35.49 O HETATM 1946 O HOH 80 -15.349 11.372 -13.657 1.00 35.98 O HETATM 1947 O HOH 81 -9.541 8.438 -15.693 1.00 22.88 O HETATM 1948 O HOH 82 -6.049 -1.905 -27.687 1.00 21.46 O HETATM 1949 O HOH 83 -19.496 -20.851 -20.754 1.00 21.85 O HETATM 1950 O HOH 84 2.651 1.404 -11.212 1.00 24.66 O HETATM 1951 O HOH 85 0.305 10.707 -13.928 1.00 55.57 O HETATM 1952 O HOH 86 -28.517 -10.624 -16.666 1.00 20.93 O HETATM 1953 O HOH 87 -28.841 3.347 -11.284 1.00 25.28 O HETATM 1954 O HOH 88 -0.625 -7.552 -18.296 1.00 35.47 O HETATM 1955 O HOH 89 -17.456 3.150 -22.680 1.00 29.48 O HETATM 1956 O HOH 90 -14.954 -3.045 -30.187 1.00 31.59 O HETATM 1957 O HOH 91 -3.127 6.843 -14.201 1.00 15.80 O HETATM 1958 O HOH 92 -10.191 -18.765 -27.682 1.00 20.81 O HETATM 1959 O HOH 93 -16.671 -4.089 -6.871 1.00 9.86 O HETATM 1960 O HOH 94 -4.137 -8.159 -29.186 1.00 35.54 O HETATM 1961 O HOH 95 -22.082 -21.150 -23.849 1.00 31.30 O HETATM 1962 O HOH 96 -4.160 -3.112 -3.085 1.00 30.78 O HETATM 1963 O HOH 97 -1.262 -10.323 -17.380 1.00 35.85 O HETATM 1964 O HOH 98 -11.509 -21.328 -16.032 1.00 18.74 O HETATM 1965 O HOH 99 -26.010 -13.737 1.873 1.00 27.43 O HETATM 1966 O HOH 100 -3.061 -2.451 -12.867 1.00 10.27 O HETATM 1967 O HOH 101 -18.360 -5.106 0.000 1.00 18.79 O HETATM 1968 O HOH 102 -17.040 -4.745 -26.159 1.00 19.75 O HETATM 1969 O HOH 103 2.615 -4.502 0.871 1.00 34.29 O HETATM 1970 O HOH 104 -24.934 -0.083 -15.161 1.00 17.30 O HETATM 1971 O HOH 105 -34.452 -12.898 -7.174 1.00 28.29 O HETATM 1972 O HOH 106 -17.675 -16.769 -27.440 1.00 17.84 O HETATM 1973 O HOH 107 -34.775 -10.099 -6.343 1.00 18.34 O HETATM 1974 O HOH 108 -4.049 -6.992 -3.375 1.00 27.15 O HETATM 1975 O HOH 109 -4.684 9.470 -23.034 1.00 20.68 O HETATM 1976 O HOH 110 -13.503 4.338 -27.787 1.00 24.97 O HETATM 1977 O HOH 111 1.738 -4.451 -1.268 1.00 28.59 O HETATM 1978 O HOH 112 -14.453 1.335 -3.597 1.00 19.66 O HETATM 1979 O HOH 113 -5.579 -15.091 -10.713 1.00 31.13 O HETATM 1980 O HOH 114 -7.694 10.556 -19.372 1.00 53.39 O HETATM 1981 O HOH 115 -13.658 -3.999 -17.766 1.00 12.30 O HETATM 1982 O HOH 116 -17.342 7.019 -19.363 1.00 21.97 O HETATM 1983 O HOH 117 -3.681 -9.926 -17.206 1.00 28.99 O HETATM 1984 O HOH 118 -27.002 -7.916 -3.548 1.00 17.11 O HETATM 1985 O HOH 119 -33.739 -13.303 -11.768 1.00 17.84 O HETATM 1986 O HOH 120 -26.002 -4.137 -17.742 1.00 29.95 O HETATM 1987 O HOH 121 -0.292 0.643 -17.616 1.00 21.39 O HETATM 1988 O HOH 122 -4.728 -12.054 -15.720 1.00 22.45 O HETATM 1989 O HOH 123 4.363 0.426 -16.926 1.00 33.25 O HETATM 1990 O HOH 124 -22.207 -9.384 -27.209 1.00 50.96 O HETATM 1991 O HOH 125 -32.643 2.277 -8.395 1.00 19.05 O HETATM 1992 O HOH 126 -21.533 -9.213 9.329 1.00 32.62 O HETATM 1993 O HOH 127 -1.186 -1.139 -19.750 1.00 17.93 O HETATM 1994 O HOH 128 -17.365 6.014 -7.721 1.00 15.68 O HETATM 1995 O HOH 129 -12.682 -27.235 4.076 1.00 13.02 O HETATM 1996 O HOH 130 -30.105 -13.417 -20.597 1.00 25.52 O HETATM 1997 O HOH 131 -27.568 -16.317 0.242 1.00 27.66 O HETATM 1998 O HOH 132 4.386 -4.299 3.003 1.00 56.89 O HETATM 1999 O HOH 133 -0.032 -4.831 -24.731 1.00 35.08 O HETATM 2000 O HOH 134 -13.479 -9.035 17.546 1.00 44.02 O HETATM 2001 O HOH 135 -6.456 -20.704 -9.163 1.00 61.46 O HETATM 2002 O HOH 136 -11.844 8.377 -23.151 1.00 32.00 O HETATM 2003 O HOH 137 -16.803 -1.850 -16.146 1.00 12.12 O HETATM 2004 O HOH 138 -26.022 -26.243 -12.030 1.00 43.62 O HETATM 2005 O HOH 139 -27.039 -20.570 -0.610 1.00 20.86 O HETATM 2006 O HOH 140 -9.492 -23.612 -6.414 1.00 38.44 O HETATM 2007 O HOH 141 -6.578 -13.056 3.685 1.00 40.20 O HETATM 2008 O HOH 142 -10.549 -2.548 -4.866 1.00 35.48 O HETATM 2009 O HOH 143 0.779 -12.214 -15.398 1.00 31.00 O HETATM 2010 O HOH 144 -8.142 -10.931 7.937 1.00 37.96 O HETATM 2011 O HOH 145 3.191 3.391 -15.597 1.00 37.56 O HETATM 2012 O HOH 146 2.538 -7.857 1.840 1.00 45.60 O HETATM 2013 O HOH 147 -6.100 -17.222 -17.706 1.00 29.94 O HETATM 2014 O HOH 148 -28.143 2.272 0.965 1.00 24.53 O HETATM 2015 O HOH 149 -33.378 -15.171 -5.867 1.00 33.12 O HETATM 2016 O HOH 150 -14.730 -28.178 0.929 1.00 28.20 O HETATM 2017 O HOH 151 -6.974 8.678 -21.935 1.00 21.93 O HETATM 2018 O HOH 152 -1.297 7.067 -8.929 1.00 27.28 O HETATM 2019 O HOH 153 -15.419 -11.084 -27.313 1.00 23.21 O HETATM 2020 O HOH 154 -23.395 5.922 -15.780 1.00 25.32 O HETATM 2021 O HOH 155 -24.360 -14.494 -22.835 1.00 37.54 O HETATM 2022 O HOH 156 -26.967 3.958 -13.685 1.00 22.24 O HETATM 2023 O HOH 157 3.889 3.059 0.375 1.00 29.70 O HETATM 2024 O HOH 158 -23.077 -13.008 -21.271 1.00 22.39 O HETATM 2025 O HOH 159 -18.650 1.758 -5.836 1.00 15.71 O HETATM 2026 O HOH 160 -27.988 -12.112 -23.764 1.00 43.41 O HETATM 2027 O HOH 161 -8.237 -16.787 -10.995 1.00 21.99 O HETATM 2028 O HOH 162 0.413 -11.746 -4.014 1.00 35.80 O HETATM 2029 O HOH 163 -6.996 -17.227 -25.170 1.00 42.57 O HETATM 2030 O HOH 164 -16.401 -2.078 -4.937 1.00 13.73 O HETATM 2031 O HOH 165 -22.969 4.828 -6.671 1.00 15.01 O HETATM 2032 O HOH 166 -25.578 -23.399 -20.291 1.00 48.26 O HETATM 2033 O HOH 167 -18.185 -24.222 -12.367 1.00 51.50 O HETATM 2034 O HOH 168 -10.013 -22.142 -3.414 1.00 26.95 O HETATM 2035 O HOH 169 -21.497 8.293 -9.014 1.00 13.77 O HETATM 2036 O HOH 170 -28.913 -2.502 -15.341 1.00 31.35 O HETATM 2037 O HOH 171 -26.156 7.935 -10.421 1.00 41.23 O HETATM 2038 O HOH 172 -9.715 -18.664 -12.659 1.00 21.02 O HETATM 2039 O HOH 173 -14.501 -2.507 2.237 1.00 42.03 O HETATM 2040 O HOH 174 -30.121 -7.879 1.446 1.00 26.58 O HETATM 2041 O HOH 175 -20.167 1.301 -11.309 1.00 14.65 O HETATM 2042 O HOH 176 -8.428 -21.218 -5.037 1.00 47.57 O HETATM 2043 O HOH 177 0.362 -10.808 1.661 1.00 43.09 O HETATM 2044 O HOH 178 -29.993 -25.372 -4.656 1.00 52.13 O HETATM 2045 O HOH 179 -29.981 -0.769 3.505 1.00 34.94 O HETATM 2046 O HOH 180 -6.191 -7.793 -1.443 1.00 19.77 O HETATM 2047 O HOH 181 -3.305 9.328 -12.322 1.00 56.06 O HETATM 2048 O HOH 182 -8.345 -16.672 4.451 1.00 27.21 O HETATM 2049 O HOH 183 -19.873 3.466 -9.672 1.00 26.75 O HETATM 2050 O HOH 184 -3.797 5.992 -10.071 1.00 17.66 O HETATM 2051 O HOH 185 -10.014 -5.811 -34.282 1.00 41.94 O HETATM 2052 O HOH 186 -30.202 7.692 -3.941 1.00 42.44 O HETATM 2053 O HOH 187 -18.940 -3.237 -1.572 1.00 31.86 O HETATM 2054 O HOH 188 -11.047 3.866 -27.732 1.00 46.71 O HETATM 2055 O HOH 189 -22.086 2.585 -22.149 1.00 40.41 O HETATM 2056 O HOH 190 -31.153 -17.497 -1.568 1.00 36.06 O HETATM 2057 O HOH 191 -9.126 -17.841 -25.315 1.00 26.39 O HETATM 2058 O HOH 192 -15.046 -7.870 -29.010 1.00 41.74 O HETATM 2059 O HOH 193 -25.051 2.246 -18.001 1.00 45.09 O HETATM 2060 O HOH 194 -24.574 -15.203 7.454 1.00 27.63 O HETATM 2061 O HOH 195 -30.767 -1.209 -5.226 1.00 13.74 O HETATM 2062 O HOH 196 -9.079 -15.067 5.398 1.00 30.09 O HETATM 2063 O HOH 197 -28.020 -22.246 -2.531 1.00 32.86 O HETATM 2064 O HOH 198 -7.523 -15.707 -19.919 1.00 48.17 O HETATM 2065 O HOH 199 -15.491 -18.308 16.381 1.00 31.26 O HETATM 2066 O HOH 200 -3.510 -16.794 3.618 1.00 51.45 O HETATM 2067 O HOH 201 -24.774 -6.725 2.904 1.00 39.41 O HETATM 2068 O HOH 202 -6.214 8.624 -14.333 1.00 42.11 O HETATM 2069 O HOH 203 -4.436 8.958 -8.065 1.00 41.38 O HETATM 2070 O HOH 204 -12.811 8.034 -19.809 1.00 35.50 O HETATM 2071 O HOH 205 -0.591 11.580 -3.878 1.00 61.84 O HETATM 2072 O HOH 206 -13.790 -15.111 8.428 1.00 21.67 O HETATM 2073 O HOH 207 -5.968 13.583 -21.246 1.00 46.82 O HETATM 2074 O HOH 208 -7.683 -21.566 -14.806 1.00 39.10 O HETATM 2075 O HOH 209 -18.778 2.483 -24.840 1.00 45.25 O HETATM 2076 O HOH 210 1.869 1.175 -24.327 1.00 48.85 O HETATM 2077 O HOH 211 -8.186 -3.301 -5.528 1.00 25.99 O HETATM 2078 O HOH 212 -15.387 -28.265 -7.198 1.00 55.77 O HETATM 2079 O HOH 213 -30.658 -18.147 -15.535 1.00 41.77 O HETATM 2080 O HOH 214 -14.839 -24.631 -16.455 1.00 38.32 O HETATM 2081 O HOH 215 3.245 -1.757 -19.620 1.00 58.14 O HETATM 2082 O HOH 216 -25.938 -28.295 -4.352 1.00 50.46 O HETATM 2083 O HOH 217 -12.377 -15.858 -31.356 1.00 40.15 O HETATM 2084 O HOH 218 -7.108 -17.370 -32.415 1.00 44.12 O HETATM 2085 O HOH 219 4.500 -3.835 -17.680 1.00 36.34 O HETATM 2086 O HOH 220 -0.028 -2.907 -19.976 1.00 46.42 O HETATM 2087 O HOH 221 -21.718 -8.826 4.805 1.00 33.77 O HETATM 2088 O HOH 222 -30.178 4.251 1.413 1.00 53.92 O HETATM 2089 O HOH 223 -11.479 -4.533 13.787 1.00 50.51 O HETATM 2090 O HOH 224 -28.238 -4.774 -19.255 1.00 36.16 O HETATM 2091 O HOH 225 -18.355 -7.540 -27.129 1.00 49.20 O HETATM 2092 O HOH 226 -8.119 -21.844 -17.763 1.00 48.29 O HETATM 2093 O HOH 227 -13.058 -23.191 -17.388 1.00 40.86 O HETATM 2094 O HOH 228 -7.506 -3.673 -31.066 1.00 45.30 O HETATM 2095 O HOH 229 -15.130 4.874 -33.833 1.00 53.80 O HETATM 2096 O HOH 230 -35.117 -15.019 -15.563 1.00 40.37 O HETATM 2097 O HOH 231 7.529 3.004 7.382 1.00 48.12 O HETATM 2098 O HOH 232 -26.063 -16.589 -21.018 1.00 28.79 O HETATM 2099 O HOH 233 -34.244 -16.218 -12.243 1.00 43.63 O HETATM 2100 O HOH 234 -5.758 -3.349 -0.281 1.00 45.75 O HETATM 2101 O HOH 235 -29.810 0.151 -14.677 1.00 33.31 O HETATM 2102 O HOH 236 -17.454 5.890 -21.878 1.00 30.39 O HETATM 2103 O HOH 237 -3.726 11.941 -22.743 1.00 43.16 O HETATM 2104 O HOH 238 1.767 9.144 -4.177 1.00 47.67 O HETATM 2105 O HOH 239 -12.598 -2.917 2.404 1.00 52.30 O HETATM 2106 O HOH 240 -9.246 9.601 -7.397 1.00 56.75 O HETATM 2107 O HOH 241 -3.639 -6.148 -29.575 1.00 50.55 O HETATM 2108 O HOH 242 -24.741 6.769 -13.704 1.00 38.20 O HETATM 2109 O HOH 243 -31.021 -10.865 -23.448 1.00 46.62 O HETATM 2110 O HOH 244 5.258 -0.263 -7.849 1.00 16.68 O HETATM 2111 O HOH 245 -27.371 6.893 -8.858 1.00 42.76 O HETATM 2112 O HOH 246 -17.073 -32.980 -5.168 1.00 50.03 O HETATM 2113 O HOH 247 0.939 -12.104 -5.517 1.00 36.78 O HETATM 2114 O HOH 248 -1.322 1.814 -29.242 1.00 38.42 O HETATM 2115 O HOH 249 -24.020 -11.860 5.460 1.00 37.54 O HETATM 2116 O HOH 250 -29.929 -6.977 -25.539 1.00 47.24 O HETATM 2117 O HOH 251 -25.998 -11.682 4.300 1.00 42.26 O HETATM 2118 O HOH 252 -23.755 -3.404 -19.477 1.00 38.22 O HETATM 2119 O HOH 253 -22.880 -9.593 11.777 1.00 47.21 O HETATM 2120 O HOH 254 -29.846 -21.629 -4.273 1.00 39.62 O HETATM 2121 O HOH 255 -36.691 -10.019 -19.362 1.00 43.11 O HETATM 2122 O HOH 256 -6.737 -4.528 -3.393 1.00 30.92 O HETATM 2123 O HOH 257 -18.668 2.965 -28.033 1.00 52.09 O HETATM 2124 O HOH 258 -4.450 -15.394 -16.818 1.00 37.98 O HETATM 2125 O HOH 259 -31.729 -17.970 -13.106 1.00 45.88 O HETATM 2126 O HOH 260 -24.141 -16.615 16.672 1.00 37.76 O HETATM 2127 O HOH 261 -30.837 -15.181 -21.289 1.00 33.89 O HETATM 2128 O HOH 262 -13.642 -2.649 13.738 1.00 51.27 O HETATM 2129 O HOH 263 -20.182 3.901 -6.640 1.00 19.57 O HETATM 2130 O HOH 264 -7.326 -19.866 -13.482 1.00 34.38 O HETATM 2131 O HOH 265 -13.449 -0.458 -1.937 1.00 40.69 O HETATM 2132 O HOH 266 -1.502 11.726 -23.298 1.00 32.70 O HETATM 2133 O HOH 267 -16.521 -8.916 -28.458 1.00 46.31 O HETATM 2134 O HOH 268 -0.451 2.739 -23.817 1.00 31.51 O HETATM 2135 O HOH 269 -16.612 -17.844 18.746 1.00 28.28 O HETATM 2136 O HOH 270 4.823 2.368 -10.575 1.00 58.00 O HETATM 2137 O HOH 271 -18.839 -24.894 -22.953 1.00 40.40 O HETATM 2138 O HOH 272 -1.930 -9.421 -19.629 1.00 53.10 O HETATM 2139 O HOH 273 -14.371 -18.351 20.249 1.00 55.59 O HETATM 2140 O HOH 274 -5.544 -16.786 -11.883 1.00 51.13 O HETATM 2141 O HOH 275 -20.234 6.610 -22.526 1.00 46.31 O HETATM 2142 O HOH 276 -6.154 -5.059 0.497 1.00 46.40 O HETATM 2143 O HOH 277 -3.692 -11.820 -19.125 1.00 30.93 O HETATM 2144 O HOH 278 -8.183 -4.503 4.959 1.00 50.11 O HETATM 2145 O HOH 279 -25.833 -1.677 -20.327 1.00 59.97 O HETATM 2146 O HOH 280 -23.375 -7.572 -26.659 1.00 46.00 O HETATM 2147 O HOH 281 -32.006 -9.880 -25.365 1.00 48.11 O HETATM 2148 O HOH 282 -6.676 -6.224 5.941 1.00 44.08 O HETATM 2149 O HOH 283 -5.213 -20.176 -15.304 1.00 55.52 O HETATM 2150 O HOH 284 -21.633 6.435 -24.988 1.00 55.83 O HETATM 2151 O HOH 285 -29.850 -3.165 -17.909 1.00 37.35 O HETATM 2152 O HOH 286 -5.224 -4.513 -30.433 1.00 58.77 O HETATM 2153 O HOH 287 -19.471 -26.752 -17.200 1.00 56.98 O HETATM 2154 O HOH 288 -21.295 5.501 -27.209 1.00 58.29 O HETATM 2155 O HOH 289 1.131 5.128 -23.241 1.00 37.29 O HETATM 2156 O HOH 290 -5.823 8.268 -10.393 1.00 34.90 O HETATM 2157 O HOH 291 5.253 6.730 -18.528 1.00 50.14 O HETATM 2158 O HOH 292 -31.663 -19.902 -7.807 1.00 50.96 O HETATM 2159 O HOH 293 0.038 1.648 -31.165 1.00 49.37 O HETATM 2160 O HOH 294 -33.568 -18.210 -8.618 1.00 45.28 O HETATM 2161 O HOH 295 -3.636 -16.994 -14.602 1.00 46.44 O HETATM 2162 O HOH 296 -17.483 -17.790 -8.077 1.00 52.37 O HETATM 2163 O HOH 297 4.596 9.141 -19.447 1.00 49.93 O HETATM 2164 O HOH 298 -1.415 -17.598 -13.964 1.00 48.53 O HETATM 2165 O HOH 299 6.759 9.636 -18.882 1.00 52.79 O HETATM 2166 N1 URA A 300 -9.622 -6.395 -5.229 1.00 -0.20 N HETATM 2167 C2 URA A 300 -10.409 -6.512 -6.471 1.00 0.33 C HETATM 2168 O2 URA A 300 -11.458 -5.991 -6.639 1.00 -0.38 O HETATM 2169 N3 URA A 300 -9.926 -7.308 -7.584 1.00 -0.19 N HETATM 2170 C4 URA A 300 -8.665 -7.970 -7.527 1.00 0.18 C HETATM 2171 O4 URA A 300 -8.344 -8.589 -8.477 1.00 -0.41 O HETATM 2172 C5 URA A 300 -7.877 -7.858 -6.269 1.00 0.01 C HETATM 2173 C6 URA A 300 -8.351 -7.080 -5.163 1.00 0.05 C HETATM 2174 H4 URA A 300 -7.746 -7.004 -4.261 1.00 0.12 H HETATM 2175 H3 URA A 300 -6.923 -8.377 -6.188 1.00 0.03 H HETATM 2176 H2 URA A 300 -10.488 -7.394 -8.406 1.00 0.23 H HETATM 2177 H1 URA A 300 -9.958 -5.858 -4.455 1.00 0.25 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1500 1501 1507 1508 1509 CONECT 1507 1500 CONECT 1508 1500 CONECT 1509 1500 CONECT 1518 1519 1524 1525 1526 CONECT 1525 1518 CONECT 1526 1518 CONECT 2166 2167 2173 2177 CONECT 2167 2166 2168 2169 CONECT 2168 2167 CONECT 2169 2167 2170 2176 CONECT 2170 2169 2171 2172 CONECT 2171 2170 CONECT 2172 2170 2173 2175 CONECT 2173 2166 2172 2174 CONECT 2174 2173 CONECT 2175 2172 CONECT 2176 2169 CONECT 2177 2166 MASTER 0 0 0 0 0 0 0 0 2174 3 23 17 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6ajr
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1ui0
RCSB PDB
PDBbind
URA
5y48
RCSB PDB
PDBbind
URA
Entry Information
PDB ID
6ajr
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Uracil DNA glycosylase superfamily protein
Ligand Name
URA
EC.Number
E.C.-.-.-.-
Resolution
1.34(Å)
Affinity (Kd/Ki/IC50)
Kd=48.5uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Nat.Chem.Biol. Vol. 15: pp. 607-614
Ligand Properties
Formula
C
4
H
4
N
2
O
2
Molecular Weight
112.087
Exact Mass
112.027
No. of atoms
12
No. of bonds
12
Polar Surface Area
65.72
LOGP Value
-0.97 (
Computed with XLOGP3
)
-0.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 1
Canonical SMILES
O=c1cc[nH]c(=O)[nH]1
InChI String
InChI=1S/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
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):
A0QP43
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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