EXPDTA T0351TS208_3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0351TS208_3-scwrl ATOM 1 C ARG 17 6.922 10.507 9.213 1.00 0.00 ATOM 2 N LYS A 18 7.312 10.205 8.021 1.00 0.00 ATOM 3 CA LYS A 18 6.930 11.106 6.896 1.00 0.00 ATOM 4 CB LYS A 18 7.661 10.702 5.614 1.00 0.00 ATOM 5 CG LYS A 18 9.162 10.934 5.656 1.00 0.00 ATOM 6 CD LYS A 18 9.817 10.553 4.338 1.00 0.00 ATOM 7 CE LYS A 18 11.325 10.729 4.399 1.00 0.00 ATOM 8 NZ LYS A 18 11.980 10.357 3.115 1.00 0.00 ATOM 9 O LYS A 18 4.775 9.998 6.596 1.00 0.00 ATOM 10 C LYS A 18 5.401 11.064 6.596 1.00 0.00 ATOM 11 N ASP A 19 4.831 12.242 6.284 1.00 0.00 ATOM 12 CA ASP A 19 3.421 12.374 5.828 1.00 0.00 ATOM 13 CB ASP A 19 2.908 13.794 6.077 1.00 0.00 ATOM 14 CG ASP A 19 1.452 13.963 5.691 1.00 0.00 ATOM 15 OD1 ASP A 19 0.879 13.020 5.105 1.00 0.00 ATOM 16 OD2 ASP A 19 0.883 15.038 5.975 1.00 0.00 ATOM 17 O ASP A 19 3.623 12.925 3.461 1.00 0.00 ATOM 18 C ASP A 19 3.340 12.065 4.302 1.00 0.00 ATOM 19 N PHE A 20 2.977 10.813 3.969 1.00 0.00 ATOM 20 CA PHE A 20 2.925 10.325 2.569 1.00 0.00 ATOM 21 CB PHE A 20 3.531 8.924 2.467 1.00 0.00 ATOM 22 CG PHE A 20 3.606 8.396 1.063 1.00 0.00 ATOM 23 CD1 PHE A 20 4.623 8.792 0.212 1.00 0.00 ATOM 24 CD2 PHE A 20 2.658 7.505 0.592 1.00 0.00 ATOM 25 CE1 PHE A 20 4.691 8.306 -1.080 1.00 0.00 ATOM 26 CE2 PHE A 20 2.726 7.019 -0.700 1.00 0.00 ATOM 27 CZ PHE A 20 3.737 7.416 -1.535 1.00 0.00 ATOM 28 O PHE A 20 0.683 9.402 2.526 1.00 0.00 ATOM 29 C PHE A 20 1.446 10.272 2.097 1.00 0.00 ATOM 30 N GLU A 21 1.077 11.154 1.151 1.00 0.00 ATOM 31 CA GLU A 21 -0.259 11.115 0.499 1.00 0.00 ATOM 32 CB GLU A 21 -0.617 12.489 -0.071 1.00 0.00 ATOM 33 CG GLU A 21 -0.767 13.577 0.980 1.00 0.00 ATOM 34 CD GLU A 21 -1.115 14.924 0.378 1.00 0.00 ATOM 35 OE1 GLU A 21 -1.213 15.013 -0.864 1.00 0.00 ATOM 36 OE2 GLU A 21 -1.290 15.892 1.148 1.00 0.00 ATOM 37 O GLU A 21 0.310 10.312 -1.735 1.00 0.00 ATOM 38 C GLU A 21 -0.262 10.080 -0.665 1.00 0.00 ATOM 39 N LEU A 22 -0.940 8.940 -0.434 1.00 0.00 ATOM 40 CA LEU A 22 -1.172 7.904 -1.470 1.00 0.00 ATOM 41 CB LEU A 22 -1.369 6.532 -0.821 1.00 0.00 ATOM 42 CG LEU A 22 -1.612 5.360 -1.775 1.00 0.00 ATOM 43 CD1 LEU A 22 -0.430 5.177 -2.714 1.00 0.00 ATOM 44 CD2 LEU A 22 -1.807 4.067 -0.998 1.00 0.00 ATOM 45 O LEU A 22 -3.569 8.042 -1.814 1.00 0.00 ATOM 46 C LEU A 22 -2.448 8.282 -2.275 1.00 0.00 ATOM 47 N ARG A 23 -2.270 8.822 -3.497 1.00 0.00 ATOM 48 CA ARG A 23 -3.380 8.958 -4.479 1.00 0.00 ATOM 49 CB ARG A 23 -2.977 9.898 -5.617 1.00 0.00 ATOM 50 CG ARG A 23 -4.083 10.162 -6.625 1.00 0.00 ATOM 51 CD ARG A 23 -3.602 11.068 -7.747 1.00 0.00 ATOM 52 NE ARG A 23 -3.353 12.430 -7.282 1.00 0.00 ATOM 53 CZ ARG A 23 -4.292 13.363 -7.164 1.00 0.00 ATOM 54 NH1 ARG A 23 -3.972 14.575 -6.732 1.00 0.00 ATOM 55 NH2 ARG A 23 -5.549 13.082 -7.477 1.00 0.00 ATOM 56 O ARG A 23 -2.871 6.958 -5.752 1.00 0.00 ATOM 57 C ARG A 23 -3.706 7.553 -5.063 1.00 0.00 ATOM 58 N ASN A 24 -4.911 7.036 -4.752 1.00 0.00 ATOM 59 CA ASN A 24 -5.293 5.643 -5.097 1.00 0.00 ATOM 60 CB ASN A 24 -6.369 5.130 -4.138 1.00 0.00 ATOM 61 CG ASN A 24 -6.712 3.672 -4.374 1.00 0.00 ATOM 62 ND2 ASN A 24 -7.307 3.036 -3.372 1.00 0.00 ATOM 63 OD1 ASN A 24 -6.444 3.127 -5.445 1.00 0.00 ATOM 64 O ASN A 24 -7.022 5.901 -6.800 1.00 0.00 ATOM 65 C ASN A 24 -5.851 5.593 -6.551 1.00 0.00 ATOM 66 N ASP A 25 -4.971 5.226 -7.499 1.00 0.00 ATOM 67 CA ASP A 25 -5.256 5.308 -8.957 1.00 0.00 ATOM 68 CB ASP A 25 -3.969 5.574 -9.740 1.00 0.00 ATOM 69 CG ASP A 25 -4.212 5.710 -11.231 1.00 0.00 ATOM 70 OD1 ASP A 25 -5.357 5.476 -11.670 1.00 0.00 ATOM 71 OD2 ASP A 25 -3.256 6.051 -11.959 1.00 0.00 ATOM 72 O ASP A 25 -5.176 2.950 -9.567 1.00 0.00 ATOM 73 C ASP A 25 -5.873 3.963 -9.436 1.00 0.00 ATOM 74 N GLY A 26 -7.201 3.961 -9.646 1.00 0.00 ATOM 75 CA GLY A 26 -7.981 2.712 -9.818 1.00 0.00 ATOM 76 O GLY A 26 -8.032 1.816 -7.590 1.00 0.00 ATOM 77 C GLY A 26 -8.678 2.349 -8.496 1.00 0.00 ATOM 78 N ASN A 27 -9.983 2.675 -8.395 1.00 0.00 ATOM 79 CA ASN A 27 -10.769 2.642 -7.124 1.00 0.00 ATOM 80 CB ASN A 27 -10.453 1.372 -6.331 1.00 0.00 ATOM 81 CG ASN A 27 -10.980 0.120 -7.003 1.00 0.00 ATOM 82 ND2 ASN A 27 -10.355 -1.015 -6.711 1.00 0.00 ATOM 83 OD1 ASN A 27 -11.938 0.174 -7.774 1.00 0.00 ATOM 84 O ASN A 27 -9.435 3.854 -5.491 1.00 0.00 ATOM 85 C ASN A 27 -10.405 3.887 -6.254 1.00 0.00 ATOM 86 N GLY A 28 -11.157 4.991 -6.401 1.00 0.00 ATOM 87 CA GLY A 28 -10.801 6.276 -5.757 1.00 0.00 ATOM 88 O GLY A 28 -11.916 7.827 -7.212 1.00 0.00 ATOM 89 C GLY A 28 -11.843 7.359 -6.072 1.00 0.00 ATOM 90 N SER A 29 -12.643 7.748 -5.063 1.00 0.00 ATOM 91 CA SER A 29 -13.759 8.721 -5.245 1.00 0.00 ATOM 92 CB SER A 29 -15.102 7.991 -5.303 1.00 0.00 ATOM 93 OG SER A 29 -16.176 8.907 -5.430 1.00 0.00 ATOM 94 O SER A 29 -13.699 10.954 -4.339 1.00 0.00 ATOM 95 C SER A 29 -13.839 9.755 -4.083 1.00 0.00 ATOM 96 N TYR A 30 -14.087 9.317 -2.830 1.00 0.00 ATOM 97 CA TYR A 30 -14.386 10.234 -1.689 1.00 0.00 ATOM 98 CB TYR A 30 -15.018 9.460 -0.530 1.00 0.00 ATOM 99 CG TYR A 30 -16.453 9.052 -0.776 1.00 0.00 ATOM 100 CD1 TYR A 30 -16.754 7.827 -1.359 1.00 0.00 ATOM 101 CD2 TYR A 30 -17.501 9.892 -0.426 1.00 0.00 ATOM 102 CE1 TYR A 30 -18.063 7.446 -1.587 1.00 0.00 ATOM 103 CE2 TYR A 30 -18.816 9.528 -0.647 1.00 0.00 ATOM 104 CZ TYR A 30 -19.090 8.293 -1.233 1.00 0.00 ATOM 105 OH TYR A 30 -20.394 7.916 -1.459 1.00 0.00 ATOM 106 O TYR A 30 -13.046 12.177 -1.182 1.00 0.00 ATOM 107 C TYR A 30 -13.120 10.947 -1.123 1.00 0.00 ATOM 108 N ILE A 31 -12.140 10.190 -0.588 1.00 0.00 ATOM 109 CA ILE A 31 -10.866 10.756 -0.051 1.00 0.00 ATOM 110 CB ILE A 31 -10.252 9.842 1.026 1.00 0.00 ATOM 111 CG1 ILE A 31 -11.273 9.558 2.129 1.00 0.00 ATOM 112 CG2 ILE A 31 -9.034 10.502 1.654 1.00 0.00 ATOM 113 CD1 ILE A 31 -11.707 10.791 2.891 1.00 0.00 ATOM 114 O ILE A 31 -9.392 12.046 -1.457 1.00 0.00 ATOM 115 C ILE A 31 -9.823 10.918 -1.205 1.00 0.00 ATOM 116 N GLU A 32 -9.410 9.814 -1.872 1.00 0.00 ATOM 117 CA GLU A 32 -8.384 9.814 -2.958 1.00 0.00 ATOM 118 CB GLU A 32 -8.579 11.020 -3.879 1.00 0.00 ATOM 119 CG GLU A 32 -9.846 10.963 -4.717 1.00 0.00 ATOM 120 CD GLU A 32 -10.003 12.170 -5.620 1.00 0.00 ATOM 121 OE1 GLU A 32 -9.057 12.983 -5.694 1.00 0.00 ATOM 122 OE2 GLU A 32 -11.071 12.304 -6.253 1.00 0.00 ATOM 123 O GLU A 32 -6.230 8.872 -2.445 1.00 0.00 ATOM 124 C GLU A 32 -6.934 9.882 -2.398 1.00 0.00 ATOM 125 N LYS A 33 -6.498 11.046 -1.868 1.00 0.00 ATOM 126 CA LYS A 33 -5.166 11.204 -1.226 1.00 0.00 ATOM 127 CB LYS A 33 -4.710 12.663 -1.291 1.00 0.00 ATOM 128 CG LYS A 33 -4.475 13.178 -2.701 1.00 0.00 ATOM 129 CD LYS A 33 -4.075 14.644 -2.695 1.00 0.00 ATOM 130 CE LYS A 33 -3.778 15.142 -4.100 1.00 0.00 ATOM 131 NZ LYS A 33 -3.334 16.563 -4.103 1.00 0.00 ATOM 132 O LYS A 33 -5.804 11.476 1.110 1.00 0.00 ATOM 133 C LYS A 33 -5.238 10.771 0.267 1.00 0.00 ATOM 134 N TRP A 34 -4.649 9.605 0.574 1.00 0.00 ATOM 135 CA TRP A 34 -4.678 9.011 1.936 1.00 0.00 ATOM 136 CB TRP A 34 -4.852 7.493 1.855 1.00 0.00 ATOM 137 CG TRP A 34 -6.190 7.070 1.332 1.00 0.00 ATOM 138 CD1 TRP A 34 -6.512 6.790 0.035 1.00 0.00 ATOM 139 CD2 TRP A 34 -7.388 6.877 2.094 1.00 0.00 ATOM 140 CE2 TRP A 34 -8.396 6.481 1.193 1.00 0.00 ATOM 141 CE3 TRP A 34 -7.707 7.000 3.450 1.00 0.00 ATOM 142 NE1 TRP A 34 -7.836 6.436 -0.059 1.00 0.00 ATOM 143 CZ2 TRP A 34 -9.700 6.208 1.604 1.00 0.00 ATOM 144 CZ3 TRP A 34 -9.000 6.728 3.853 1.00 0.00 ATOM 145 CH2 TRP A 34 -9.982 6.337 2.936 1.00 0.00 ATOM 146 O TRP A 34 -2.293 8.796 2.273 1.00 0.00 ATOM 147 C TRP A 34 -3.338 9.343 2.640 1.00 0.00 ATOM 148 N ASN A 35 -3.369 10.242 3.644 1.00 0.00 ATOM 149 CA ASN A 35 -2.139 10.695 4.347 1.00 0.00 ATOM 150 CB ASN A 35 -2.387 12.028 5.056 1.00 0.00 ATOM 151 CG ASN A 35 -2.609 13.172 4.086 1.00 0.00 ATOM 152 ND2 ASN A 35 -3.799 13.759 4.128 1.00 0.00 ATOM 153 OD1 ASN A 35 -1.720 13.521 3.310 1.00 0.00 ATOM 154 O ASN A 35 -2.284 9.539 6.497 1.00 0.00 ATOM 155 C ASN A 35 -1.697 9.644 5.415 1.00 0.00 ATOM 156 N LEU A 36 -0.661 8.870 5.057 1.00 0.00 ATOM 157 CA LEU A 36 -0.164 7.716 5.850 1.00 0.00 ATOM 158 CB LEU A 36 0.101 6.515 4.940 1.00 0.00 ATOM 159 CG LEU A 36 -1.096 5.990 4.145 1.00 0.00 ATOM 160 CD1 LEU A 36 -0.674 4.851 3.228 1.00 0.00 ATOM 161 CD2 LEU A 36 -2.177 5.471 5.081 1.00 0.00 ATOM 162 O LEU A 36 2.000 8.822 6.042 1.00 0.00 ATOM 163 C LEU A 36 1.162 8.087 6.576 1.00 0.00 ATOM 164 N ARG A 37 1.370 7.530 7.783 1.00 0.00 ATOM 165 CA ARG A 37 2.625 7.743 8.559 1.00 0.00 ATOM 166 CB ARG A 37 2.347 7.661 10.061 1.00 0.00 ATOM 167 CG ARG A 37 1.364 8.704 10.568 1.00 0.00 ATOM 168 CD ARG A 37 1.100 8.537 12.056 1.00 0.00 ATOM 169 NE ARG A 37 0.375 7.303 12.348 1.00 0.00 ATOM 170 CZ ARG A 37 0.134 6.851 13.575 1.00 0.00 ATOM 171 NH1 ARG A 37 -0.534 5.718 13.744 1.00 0.00 ATOM 172 NH2 ARG A 37 0.561 7.533 14.628 1.00 0.00 ATOM 173 O ARG A 37 3.592 5.506 8.640 1.00 0.00 ATOM 174 C ARG A 37 3.663 6.649 8.177 1.00 0.00 ATOM 175 N ALA A 38 4.617 7.029 7.308 1.00 0.00 ATOM 176 CA ALA A 38 5.607 6.096 6.721 1.00 0.00 ATOM 177 CB ALA A 38 6.106 6.624 5.385 1.00 0.00 ATOM 178 O ALA A 38 7.496 6.911 7.969 1.00 0.00 ATOM 179 C ALA A 38 6.855 5.900 7.652 1.00 0.00 ATOM 180 N PRO A 39 7.242 4.669 8.109 1.00 0.00 ATOM 181 CA PRO A 39 8.331 4.464 9.107 1.00 0.00 ATOM 182 CB PRO A 39 8.472 2.943 9.193 1.00 0.00 ATOM 183 CG PRO A 39 7.117 2.422 8.851 1.00 0.00 ATOM 184 CD PRO A 39 6.592 3.311 7.759 1.00 0.00 ATOM 185 O PRO A 39 10.389 4.719 7.823 1.00 0.00 ATOM 186 C PRO A 39 9.744 5.062 8.817 1.00 0.00 ATOM 187 N LEU A 40 10.205 5.939 9.729 1.00 0.00 ATOM 188 CA LEU A 40 11.606 6.450 9.757 1.00 0.00 ATOM 189 CB LEU A 40 11.627 7.935 10.124 1.00 0.00 ATOM 190 CG LEU A 40 10.968 8.889 9.126 1.00 0.00 ATOM 191 CD1 LEU A 40 10.965 10.312 9.664 1.00 0.00 ATOM 192 CD2 LEU A 40 11.715 8.883 7.802 1.00 0.00 ATOM 193 O LEU A 40 13.437 5.049 10.349 1.00 0.00 ATOM 194 C LEU A 40 12.481 5.681 10.811 1.00 0.00 ATOM 195 N PRO A 41 12.256 5.658 12.169 1.00 0.00 ATOM 196 CA PRO A 41 13.099 4.874 13.124 1.00 0.00 ATOM 197 CB PRO A 41 12.495 5.187 14.494 1.00 0.00 ATOM 198 CG PRO A 41 11.893 6.543 14.336 1.00 0.00 ATOM 199 CD PRO A 41 11.308 6.581 12.953 1.00 0.00 ATOM 200 O PRO A 41 14.213 2.733 13.005 1.00 0.00 ATOM 201 C PRO A 41 13.132 3.324 12.928 1.00 0.00 ATOM 202 N THR A 42 11.986 2.687 12.604 1.00 0.00 ATOM 203 CA THR A 42 11.970 1.357 11.933 1.00 0.00 ATOM 204 CB THR A 42 10.620 0.643 12.128 1.00 0.00 ATOM 205 CG2 THR A 42 10.640 -0.725 11.464 1.00 0.00 ATOM 206 OG1 THR A 42 10.362 0.475 13.527 1.00 0.00 ATOM 207 O THR A 42 11.341 2.116 9.704 1.00 0.00 ATOM 208 C THR A 42 12.219 1.617 10.413 1.00 0.00 ATOM 209 N GLN A 43 13.444 1.325 9.945 1.00 0.00 ATOM 210 CA GLN A 43 13.913 1.750 8.594 1.00 0.00 ATOM 211 CB GLN A 43 15.421 1.532 8.457 1.00 0.00 ATOM 212 CG GLN A 43 16.264 2.474 9.302 1.00 0.00 ATOM 213 CD GLN A 43 17.744 2.157 9.227 1.00 0.00 ATOM 214 OE1 GLN A 43 18.147 1.165 8.620 1.00 0.00 ATOM 215 NE2 GLN A 43 18.561 3.002 9.846 1.00 0.00 ATOM 216 O GLN A 43 12.911 1.668 6.409 1.00 0.00 ATOM 217 C GLN A 43 13.269 1.002 7.386 1.00 0.00 ATOM 218 N ALA A 44 13.127 -0.341 7.434 1.00 0.00 ATOM 219 CA ALA A 44 12.615 -1.141 6.291 1.00 0.00 ATOM 220 CB ALA A 44 13.043 -2.594 6.427 1.00 0.00 ATOM 221 O ALA A 44 10.376 -2.105 6.518 1.00 0.00 ATOM 222 C ALA A 44 11.058 -1.140 6.168 1.00 0.00 ATOM 223 N GLU A 45 10.526 -0.036 5.620 1.00 0.00 ATOM 224 CA GLU A 45 9.144 0.053 5.071 1.00 0.00 ATOM 225 CB GLU A 45 8.136 0.302 6.195 1.00 0.00 ATOM 226 CG GLU A 45 6.686 0.304 5.739 1.00 0.00 ATOM 227 CD GLU A 45 6.224 -1.058 5.259 1.00 0.00 ATOM 228 OE1 GLU A 45 6.743 -1.531 4.226 1.00 0.00 ATOM 229 OE2 GLU A 45 5.343 -1.652 5.915 1.00 0.00 ATOM 230 O GLU A 45 8.926 1.004 2.868 1.00 0.00 ATOM 231 C GLU A 45 9.122 1.242 4.059 1.00 0.00 ATOM 232 N LEU A 46 9.381 2.496 4.500 1.00 0.00 ATOM 233 CA LEU A 46 9.680 3.642 3.589 1.00 0.00 ATOM 234 CB LEU A 46 9.928 4.918 4.396 1.00 0.00 ATOM 235 CG LEU A 46 10.264 6.175 3.592 1.00 0.00 ATOM 236 CD1 LEU A 46 9.115 6.544 2.666 1.00 0.00 ATOM 237 CD2 LEU A 46 10.526 7.352 4.518 1.00 0.00 ATOM 238 O LEU A 46 10.838 3.608 1.463 1.00 0.00 ATOM 239 C LEU A 46 10.942 3.448 2.682 1.00 0.00 ATOM 240 N GLU A 47 12.103 3.077 3.261 1.00 0.00 ATOM 241 CA GLU A 47 13.317 2.667 2.487 1.00 0.00 ATOM 242 CB GLU A 47 14.494 2.412 3.431 1.00 0.00 ATOM 243 CG GLU A 47 15.064 3.670 4.066 1.00 0.00 ATOM 244 CD GLU A 47 16.164 3.372 5.065 1.00 0.00 ATOM 245 OE1 GLU A 47 16.433 2.178 5.313 1.00 0.00 ATOM 246 OE2 GLU A 47 16.758 4.332 5.599 1.00 0.00 ATOM 247 O GLU A 47 13.715 1.291 0.533 1.00 0.00 ATOM 248 C GLU A 47 13.162 1.359 1.634 1.00 0.00 ATOM 249 N THR A 48 12.378 0.363 2.103 1.00 0.00 ATOM 250 CA THR A 48 11.881 -0.773 1.267 1.00 0.00 ATOM 251 CB THR A 48 10.947 -1.698 2.069 1.00 0.00 ATOM 252 CG2 THR A 48 10.424 -2.821 1.188 1.00 0.00 ATOM 253 OG1 THR A 48 11.664 -2.268 3.171 1.00 0.00 ATOM 254 O THR A 48 11.307 -0.925 -1.067 1.00 0.00 ATOM 255 C THR A 48 11.064 -0.354 -0.003 1.00 0.00 ATOM 256 N TRP A 49 10.135 0.624 0.085 1.00 0.00 ATOM 257 CA TRP A 49 9.422 1.184 -1.105 1.00 0.00 ATOM 258 CB TRP A 49 8.449 2.285 -0.678 1.00 0.00 ATOM 259 CG TRP A 49 7.257 1.774 0.072 1.00 0.00 ATOM 260 CD1 TRP A 49 6.867 0.473 0.202 1.00 0.00 ATOM 261 CD2 TRP A 49 6.298 2.556 0.795 1.00 0.00 ATOM 262 CE2 TRP A 49 5.355 1.660 1.338 1.00 0.00 ATOM 263 CE3 TRP A 49 6.145 3.924 1.037 1.00 0.00 ATOM 264 NE1 TRP A 49 5.725 0.393 0.962 1.00 0.00 ATOM 265 CZ2 TRP A 49 4.275 2.089 2.108 1.00 0.00 ATOM 266 CZ3 TRP A 49 5.072 4.345 1.800 1.00 0.00 ATOM 267 CH2 TRP A 49 4.150 3.434 2.328 1.00 0.00 ATOM 268 O TRP A 49 10.053 1.671 -3.383 1.00 0.00 ATOM 269 C TRP A 49 10.345 1.826 -2.196 1.00 0.00 ATOM 270 N TRP A 50 11.454 2.501 -1.814 1.00 0.00 ATOM 271 CA TRP A 50 12.511 2.940 -2.769 1.00 0.00 ATOM 272 CB TRP A 50 13.525 3.845 -2.067 1.00 0.00 ATOM 273 CG TRP A 50 12.991 5.207 -1.743 1.00 0.00 ATOM 274 CD1 TRP A 50 12.667 5.688 -0.507 1.00 0.00 ATOM 275 CD2 TRP A 50 12.718 6.264 -2.671 1.00 0.00 ATOM 276 CE2 TRP A 50 12.231 7.356 -1.925 1.00 0.00 ATOM 277 CE3 TRP A 50 12.837 6.395 -4.057 1.00 0.00 ATOM 278 NE1 TRP A 50 12.209 6.979 -0.606 1.00 0.00 ATOM 279 CZ2 TRP A 50 11.864 8.562 -2.520 1.00 0.00 ATOM 280 CZ3 TRP A 50 12.472 7.592 -4.643 1.00 0.00 ATOM 281 CH2 TRP A 50 11.991 8.661 -3.879 1.00 0.00 ATOM 282 O TRP A 50 13.656 1.890 -4.620 1.00 0.00 ATOM 283 C TRP A 50 13.353 1.792 -3.428 1.00 0.00 ATOM 284 N GLU A 51 13.699 0.712 -2.696 1.00 0.00 ATOM 285 CA GLU A 51 14.235 -0.550 -3.295 1.00 0.00 ATOM 286 CB GLU A 51 14.567 -1.564 -2.199 1.00 0.00 ATOM 287 CG GLU A 51 15.778 -1.195 -1.358 1.00 0.00 ATOM 288 CD GLU A 51 16.004 -2.156 -0.207 1.00 0.00 ATOM 289 OE1 GLU A 51 15.170 -3.068 -0.023 1.00 0.00 ATOM 290 OE2 GLU A 51 17.013 -1.997 0.510 1.00 0.00 ATOM 291 O GLU A 51 13.703 -1.752 -5.338 1.00 0.00 ATOM 292 C GLU A 51 13.260 -1.285 -4.284 1.00 0.00 ATOM 293 N GLU A 52 11.947 -1.342 -3.979 1.00 0.00 ATOM 294 CA GLU A 52 10.886 -1.747 -4.949 1.00 0.00 ATOM 295 CB GLU A 52 9.515 -1.756 -4.270 1.00 0.00 ATOM 296 CG GLU A 52 9.327 -2.881 -3.265 1.00 0.00 ATOM 297 CD GLU A 52 8.008 -2.787 -2.525 1.00 0.00 ATOM 298 OE1 GLU A 52 7.273 -1.801 -2.744 1.00 0.00 ATOM 299 OE2 GLU A 52 7.709 -3.699 -1.725 1.00 0.00 ATOM 300 O GLU A 52 10.549 -1.351 -7.293 1.00 0.00 ATOM 301 C GLU A 52 10.739 -0.821 -6.201 1.00 0.00 ATOM 302 N LEU A 53 10.867 0.517 -6.073 1.00 0.00 ATOM 303 CA LEU A 53 10.985 1.456 -7.232 1.00 0.00 ATOM 304 CB LEU A 53 11.018 2.906 -6.745 1.00 0.00 ATOM 305 CG LEU A 53 9.716 3.454 -6.157 1.00 0.00 ATOM 306 CD1 LEU A 53 9.938 4.831 -5.552 1.00 0.00 ATOM 307 CD2 LEU A 53 8.648 3.574 -7.234 1.00 0.00 ATOM 308 O LEU A 53 12.150 1.453 -9.349 1.00 0.00 ATOM 309 C LEU A 53 12.256 1.290 -8.130 1.00 0.00 ATOM 310 N GLN A 54 13.432 0.945 -7.563 1.00 0.00 ATOM 311 CA GLN A 54 14.624 0.493 -8.343 1.00 0.00 ATOM 312 CB GLN A 54 15.770 0.119 -7.401 1.00 0.00 ATOM 313 CG GLN A 54 16.409 1.306 -6.698 1.00 0.00 ATOM 314 CD GLN A 54 17.462 0.889 -5.690 1.00 0.00 ATOM 315 OE1 GLN A 54 17.661 -0.301 -5.443 1.00 0.00 ATOM 316 NE2 GLN A 54 18.139 1.869 -5.105 1.00 0.00 ATOM 317 O GLN A 54 14.796 -0.760 -10.414 1.00 0.00 ATOM 318 C GLN A 54 14.377 -0.764 -9.253 1.00 0.00 ATOM 319 N LYS A 55 13.668 -1.794 -8.747 1.00 0.00 ATOM 320 CA LYS A 55 13.113 -2.902 -9.575 1.00 0.00 ATOM 321 CB LYS A 55 12.501 -3.983 -8.682 1.00 0.00 ATOM 322 CG LYS A 55 11.951 -5.179 -9.443 1.00 0.00 ATOM 323 CD LYS A 55 11.438 -6.249 -8.494 1.00 0.00 ATOM 324 CE LYS A 55 10.857 -7.430 -9.255 1.00 0.00 ATOM 325 NZ LYS A 55 10.300 -8.462 -8.338 1.00 0.00 ATOM 326 O LYS A 55 12.048 -2.850 -11.754 1.00 0.00 ATOM 327 C LYS A 55 11.984 -2.477 -10.579 1.00 0.00 ATOM 328 N ASN A 56 10.937 -1.777 -10.105 1.00 0.00 ATOM 329 CA ASN A 56 9.644 -1.643 -10.824 1.00 0.00 ATOM 330 CB ASN A 56 8.474 -1.732 -9.843 1.00 0.00 ATOM 331 CG ASN A 56 8.339 -3.108 -9.220 1.00 0.00 ATOM 332 ND2 ASN A 56 7.804 -3.157 -8.006 1.00 0.00 ATOM 333 OD1 ASN A 56 8.712 -4.113 -9.825 1.00 0.00 ATOM 334 O ASN A 56 9.723 0.765 -10.906 1.00 0.00 ATOM 335 C ASN A 56 9.552 -0.265 -11.569 1.00 0.00 ATOM 336 N PRO A 57 9.240 -0.176 -12.898 1.00 0.00 ATOM 337 CA PRO A 57 9.114 1.117 -13.633 1.00 0.00 ATOM 338 CB PRO A 57 8.559 0.713 -15.000 1.00 0.00 ATOM 339 CG PRO A 57 9.074 -0.670 -15.219 1.00 0.00 ATOM 340 CD PRO A 57 8.999 -1.358 -13.884 1.00 0.00 ATOM 341 O PRO A 57 8.679 3.422 -13.266 1.00 0.00 ATOM 342 C PRO A 57 8.204 2.292 -13.116 1.00 0.00 ATOM 343 N PRO A 58 6.956 2.156 -12.557 1.00 0.00 ATOM 344 CA PRO A 58 6.078 3.321 -12.232 1.00 0.00 ATOM 345 CB PRO A 58 4.787 2.680 -11.719 1.00 0.00 ATOM 346 CG PRO A 58 5.211 1.344 -11.207 1.00 0.00 ATOM 347 CD PRO A 58 6.344 0.900 -12.089 1.00 0.00 ATOM 348 O PRO A 58 7.563 4.063 -10.438 1.00 0.00 ATOM 349 C PRO A 58 6.597 4.331 -11.157 1.00 0.00 ATOM 350 N TYR A 59 5.931 5.499 -11.059 1.00 0.00 ATOM 351 CA TYR A 59 6.305 6.583 -10.096 1.00 0.00 ATOM 352 CB TYR A 59 5.580 7.884 -10.446 1.00 0.00 ATOM 353 CG TYR A 59 6.091 8.551 -11.703 1.00 0.00 ATOM 354 CD1 TYR A 59 5.445 8.366 -12.919 1.00 0.00 ATOM 355 CD2 TYR A 59 7.218 9.363 -11.670 1.00 0.00 ATOM 356 CE1 TYR A 59 5.905 8.971 -14.073 1.00 0.00 ATOM 357 CE2 TYR A 59 7.692 9.976 -12.815 1.00 0.00 ATOM 358 CZ TYR A 59 7.024 9.773 -14.022 1.00 0.00 ATOM 359 OH TYR A 59 7.484 10.377 -15.170 1.00 0.00 ATOM 360 O TYR A 59 5.332 5.201 -8.337 1.00 0.00 ATOM 361 C TYR A 59 5.940 6.238 -8.610 1.00 0.00 ATOM 362 N GLU A 60 6.333 7.091 -7.636 1.00 0.00 ATOM 363 CA GLU A 60 6.260 6.759 -6.180 1.00 0.00 ATOM 364 CB GLU A 60 6.716 7.950 -5.335 1.00 0.00 ATOM 365 CG GLU A 60 8.213 8.206 -5.380 1.00 0.00 ATOM 366 CD GLU A 60 8.634 9.359 -4.491 1.00 0.00 ATOM 367 OE1 GLU A 60 7.749 9.982 -3.867 1.00 0.00 ATOM 368 OE2 GLU A 60 9.849 9.641 -4.417 1.00 0.00 ATOM 369 O GLU A 60 4.704 5.206 -5.252 1.00 0.00 ATOM 370 C GLU A 60 4.829 6.374 -5.638 1.00 0.00 ATOM 371 N PRO A 61 3.728 7.190 -5.648 1.00 0.00 ATOM 372 CA PRO A 61 2.349 6.686 -5.405 1.00 0.00 ATOM 373 CB PRO A 61 1.475 7.938 -5.501 1.00 0.00 ATOM 374 CG PRO A 61 2.369 9.052 -5.070 1.00 0.00 ATOM 375 CD PRO A 61 3.720 8.753 -5.658 1.00 0.00 ATOM 376 O PRO A 61 1.427 4.560 -5.901 1.00 0.00 ATOM 377 C PRO A 61 1.821 5.606 -6.418 1.00 0.00 ATOM 378 N PRO A 62 1.827 5.725 -7.788 1.00 0.00 ATOM 379 CA PRO A 62 1.416 4.627 -8.718 1.00 0.00 ATOM 380 CB PRO A 62 1.813 5.146 -10.101 1.00 0.00 ATOM 381 CG PRO A 62 1.717 6.630 -9.986 1.00 0.00 ATOM 382 CD PRO A 62 2.236 6.976 -8.619 1.00 0.00 ATOM 383 O PRO A 62 1.291 2.219 -8.719 1.00 0.00 ATOM 384 C PRO A 62 2.027 3.197 -8.564 1.00 0.00 ATOM 385 N ASP A 63 3.330 3.066 -8.240 1.00 0.00 ATOM 386 CA ASP A 63 3.960 1.761 -7.881 1.00 0.00 ATOM 387 CB ASP A 63 5.475 1.919 -7.737 1.00 0.00 ATOM 388 CG ASP A 63 6.172 0.607 -7.436 1.00 0.00 ATOM 389 OD1 ASP A 63 6.088 -0.316 -8.274 1.00 0.00 ATOM 390 OD2 ASP A 63 6.802 0.501 -6.363 1.00 0.00 ATOM 391 O ASP A 63 3.095 -0.021 -6.508 1.00 0.00 ATOM 392 C ASP A 63 3.444 1.157 -6.536 1.00 0.00 ATOM 393 N GLN A 64 3.365 1.951 -5.451 1.00 0.00 ATOM 394 CA GLN A 64 2.710 1.542 -4.171 1.00 0.00 ATOM 395 CB GLN A 64 2.797 2.669 -3.140 1.00 0.00 ATOM 396 CG GLN A 64 4.210 2.965 -2.662 1.00 0.00 ATOM 397 CD GLN A 64 4.849 1.780 -1.966 1.00 0.00 ATOM 398 OE1 GLN A 64 4.215 1.110 -1.151 1.00 0.00 ATOM 399 NE2 GLN A 64 6.111 1.518 -2.286 1.00 0.00 ATOM 400 O GLN A 64 0.746 0.252 -3.564 1.00 0.00 ATOM 401 C GLN A 64 1.186 1.174 -4.257 1.00 0.00 ATOM 402 N VAL A 65 0.410 1.838 -5.139 1.00 0.00 ATOM 403 CA VAL A 65 -0.928 1.363 -5.616 1.00 0.00 ATOM 404 CB VAL A 65 -1.552 2.349 -6.621 1.00 0.00 ATOM 405 CG1 VAL A 65 -2.808 1.756 -7.240 1.00 0.00 ATOM 406 CG2 VAL A 65 -1.926 3.651 -5.927 1.00 0.00 ATOM 407 O VAL A 65 -1.659 -0.908 -6.003 1.00 0.00 ATOM 408 C VAL A 65 -0.859 -0.033 -6.339 1.00 0.00 ATOM 409 N GLU A 66 0.076 -0.251 -7.292 1.00 0.00 ATOM 410 CA GLU A 66 0.317 -1.580 -7.935 1.00 0.00 ATOM 411 CB GLU A 66 1.509 -1.504 -8.891 1.00 0.00 ATOM 412 CG GLU A 66 1.243 -0.701 -10.153 1.00 0.00 ATOM 413 CD GLU A 66 2.479 -0.544 -11.016 1.00 0.00 ATOM 414 OE1 GLU A 66 3.562 -1.000 -10.592 1.00 0.00 ATOM 415 OE2 GLU A 66 2.366 0.035 -12.117 1.00 0.00 ATOM 416 O GLU A 66 0.043 -3.830 -7.117 1.00 0.00 ATOM 417 C GLU A 66 0.634 -2.760 -6.953 1.00 0.00 ATOM 418 N LEU A 67 1.486 -2.564 -5.920 1.00 0.00 ATOM 419 CA LEU A 67 1.678 -3.545 -4.802 1.00 0.00 ATOM 420 CB LEU A 67 2.574 -2.949 -3.714 1.00 0.00 ATOM 421 CG LEU A 67 4.049 -2.764 -4.076 1.00 0.00 ATOM 422 CD1 LEU A 67 4.783 -2.015 -2.975 1.00 0.00 ATOM 423 CD2 LEU A 67 4.728 -4.111 -4.269 1.00 0.00 ATOM 424 O LEU A 67 0.170 -5.190 -3.832 1.00 0.00 ATOM 425 C LEU A 67 0.359 -3.997 -4.077 1.00 0.00 ATOM 426 N LEU A 68 -0.537 -3.038 -3.762 1.00 0.00 ATOM 427 CA LEU A 68 -1.870 -3.296 -3.147 1.00 0.00 ATOM 428 CB LEU A 68 -2.504 -1.987 -2.674 1.00 0.00 ATOM 429 CG LEU A 68 -1.835 -1.302 -1.481 1.00 0.00 ATOM 430 CD1 LEU A 68 -2.450 0.067 -1.231 1.00 0.00 ATOM 431 CD2 LEU A 68 -2.001 -2.135 -0.219 1.00 0.00 ATOM 432 O LEU A 68 -3.636 -4.861 -3.617 1.00 0.00 ATOM 433 C LEU A 68 -2.929 -3.964 -4.080 1.00 0.00 ATOM 434 N ALA A 69 -3.040 -3.575 -5.369 1.00 0.00 ATOM 435 CA ALA A 69 -3.819 -4.341 -6.387 1.00 0.00 ATOM 436 CB ALA A 69 -3.700 -3.681 -7.752 1.00 0.00 ATOM 437 O ALA A 69 -4.232 -6.720 -6.642 1.00 0.00 ATOM 438 C ALA A 69 -3.380 -5.828 -6.592 1.00 0.00 ATOM 439 N GLN A 70 -2.058 -6.080 -6.655 1.00 0.00 ATOM 440 CA GLN A 70 -1.465 -7.444 -6.614 1.00 0.00 ATOM 441 CB GLN A 70 0.056 -7.372 -6.768 1.00 0.00 ATOM 442 CG GLN A 70 0.521 -6.976 -8.160 1.00 0.00 ATOM 443 CD GLN A 70 2.027 -6.839 -8.254 1.00 0.00 ATOM 444 OE1 GLN A 70 2.738 -7.003 -7.262 1.00 0.00 ATOM 445 NE2 GLN A 70 2.520 -6.539 -9.450 1.00 0.00 ATOM 446 O GLN A 70 -1.813 -9.484 -5.399 1.00 0.00 ATOM 447 C GLN A 70 -1.717 -8.261 -5.299 1.00 0.00 ATOM 448 N GLU A 71 -1.863 -7.635 -4.107 1.00 0.00 ATOM 449 CA GLU A 71 -2.280 -8.332 -2.851 1.00 0.00 ATOM 450 CB GLU A 71 -2.315 -7.349 -1.679 1.00 0.00 ATOM 451 CG GLU A 71 -0.942 -6.922 -1.185 1.00 0.00 ATOM 452 CD GLU A 71 -0.112 -8.091 -0.691 1.00 0.00 ATOM 453 OE1 GLU A 71 -0.607 -8.851 0.167 1.00 0.00 ATOM 454 OE2 GLU A 71 1.034 -8.246 -1.162 1.00 0.00 ATOM 455 O GLU A 71 -3.783 -10.176 -2.552 1.00 0.00 ATOM 456 C GLU A 71 -3.687 -8.996 -2.889 1.00 0.00 ATOM 457 N LEU A 72 -4.762 -8.291 -3.299 1.00 0.00 ATOM 458 CA LEU A 72 -6.125 -8.897 -3.404 1.00 0.00 ATOM 459 CB LEU A 72 -7.148 -7.843 -3.832 1.00 0.00 ATOM 460 CG LEU A 72 -7.459 -6.746 -2.812 1.00 0.00 ATOM 461 CD1 LEU A 72 -8.356 -5.681 -3.424 1.00 0.00 ATOM 462 CD2 LEU A 72 -8.168 -7.326 -1.598 1.00 0.00 ATOM 463 O LEU A 72 -7.044 -10.999 -4.164 1.00 0.00 ATOM 464 C LEU A 72 -6.275 -10.072 -4.433 1.00 0.00 ATOM 465 N SER A 73 -5.544 -10.058 -5.567 1.00 0.00 ATOM 466 CA SER A 73 -5.408 -11.236 -6.471 1.00 0.00 ATOM 467 CB SER A 73 -4.810 -10.814 -7.815 1.00 0.00 ATOM 468 OG SER A 73 -5.694 -9.961 -8.521 1.00 0.00 ATOM 469 O SER A 73 -4.871 -13.564 -6.092 1.00 0.00 ATOM 470 C SER A 73 -4.493 -12.398 -5.951 1.00 0.00 ATOM 471 N GLN A 74 -3.316 -12.095 -5.364 1.00 0.00 ATOM 472 CA GLN A 74 -2.373 -13.105 -4.795 1.00 0.00 ATOM 473 CB GLN A 74 -1.049 -12.443 -4.407 1.00 0.00 ATOM 474 CG GLN A 74 -0.005 -13.410 -3.873 1.00 0.00 ATOM 475 CD GLN A 74 1.303 -12.724 -3.531 1.00 0.00 ATOM 476 OE1 GLN A 74 1.450 -11.517 -3.719 1.00 0.00 ATOM 477 NE2 GLN A 74 2.259 -13.495 -3.026 1.00 0.00 ATOM 478 O GLN A 74 -3.035 -15.046 -3.509 1.00 0.00 ATOM 479 C GLN A 74 -2.913 -13.818 -3.512 1.00 0.00 ATOM 480 N GLU A 75 -3.262 -13.055 -2.457 1.00 0.00 ATOM 481 CA GLU A 75 -3.990 -13.570 -1.258 1.00 0.00 ATOM 482 CB GLU A 75 -4.227 -12.443 -0.250 1.00 0.00 ATOM 483 CG GLU A 75 -2.967 -11.965 0.453 1.00 0.00 ATOM 484 CD GLU A 75 -3.220 -10.769 1.350 1.00 0.00 ATOM 485 OE1 GLU A 75 -4.364 -10.269 1.365 1.00 0.00 ATOM 486 OE2 GLU A 75 -2.273 -10.332 2.038 1.00 0.00 ATOM 487 O GLU A 75 -5.755 -15.187 -0.908 1.00 0.00 ATOM 488 C GLU A 75 -5.400 -14.192 -1.544 1.00 0.00 ATOM 489 N LYS A 76 -6.191 -13.601 -2.473 1.00 0.00 ATOM 490 CA LYS A 76 -7.554 -14.073 -2.864 1.00 0.00 ATOM 491 CB LYS A 76 -7.557 -15.589 -3.074 1.00 0.00 ATOM 492 CG LYS A 76 -6.684 -16.057 -4.226 1.00 0.00 ATOM 493 CD LYS A 76 -6.718 -17.571 -4.365 1.00 0.00 ATOM 494 CE LYS A 76 -5.863 -18.038 -5.531 1.00 0.00 ATOM 495 NZ LYS A 76 -5.848 -19.522 -5.650 1.00 0.00 ATOM 496 O LYS A 76 -9.086 -14.622 -1.051 1.00 0.00 ATOM 497 C LYS A 76 -8.602 -13.734 -1.761 1.00 0.00 ATOM 498 N LEU A 77 -8.919 -12.430 -1.614 1.00 0.00 ATOM 499 CA LEU A 77 -9.762 -11.916 -0.500 1.00 0.00 ATOM 500 CB LEU A 77 -8.953 -10.973 0.393 1.00 0.00 ATOM 501 CG LEU A 77 -7.775 -11.595 1.144 1.00 0.00 ATOM 502 CD1 LEU A 77 -6.937 -10.518 1.817 1.00 0.00 ATOM 503 CD2 LEU A 77 -8.267 -12.554 2.218 1.00 0.00 ATOM 504 O LEU A 77 -11.920 -11.802 -1.563 1.00 0.00 ATOM 505 C LEU A 77 -10.959 -11.151 -1.138 1.00 0.00 ATOM 506 N ALA A 78 -10.921 -9.805 -1.220 1.00 0.00 ATOM 507 CA ALA A 78 -12.005 -8.996 -1.825 1.00 0.00 ATOM 508 CB ALA A 78 -13.114 -8.754 -0.813 1.00 0.00 ATOM 509 O ALA A 78 -11.113 -6.785 -1.439 1.00 0.00 ATOM 510 C ALA A 78 -11.420 -7.627 -2.283 1.00 0.00 ATOM 511 N ARG A 79 -11.240 -7.253 -3.563 1.00 0.00 ATOM 512 CA ARG A 79 -11.151 -8.168 -4.724 1.00 0.00 ATOM 513 CB ARG A 79 -12.512 -8.297 -5.410 1.00 0.00 ATOM 514 CG ARG A 79 -13.562 -9.014 -4.577 1.00 0.00 ATOM 515 CD ARG A 79 -14.887 -9.104 -5.316 1.00 0.00 ATOM 516 NE ARG A 79 -15.918 -9.759 -4.514 1.00 0.00 ATOM 517 CZ ARG A 79 -17.185 -9.891 -4.891 1.00 0.00 ATOM 518 NH1 ARG A 79 -18.053 -10.503 -4.096 1.00 0.00 ATOM 519 NH2 ARG A 79 -17.583 -9.412 -6.061 1.00 0.00 ATOM 520 O ARG A 79 -9.370 -8.551 -6.252 1.00 0.00 ATOM 521 C ARG A 79 -10.130 -7.685 -5.816 1.00 0.00 ATOM 522 N LYS A 80 -9.917 -6.469 -6.384 1.00 0.00 ATOM 523 CA LYS A 80 -10.616 -5.164 -6.169 1.00 0.00 ATOM 524 CB LYS A 80 -12.098 -5.394 -5.864 1.00 0.00 ATOM 525 CG LYS A 80 -12.887 -5.978 -7.024 1.00 0.00 ATOM 526 CD LYS A 80 -14.347 -6.181 -6.651 1.00 0.00 ATOM 527 CE LYS A 80 -15.139 -6.754 -7.815 1.00 0.00 ATOM 528 NZ LYS A 80 -16.575 -6.943 -7.470 1.00 0.00 ATOM 529 O LYS A 80 -10.251 -4.666 -3.817 1.00 0.00 ATOM 530 C LYS A 80 -10.033 -4.331 -4.981 1.00 0.00 ATOM 531 N GLN A 81 -9.305 -3.229 -5.266 1.00 0.00 ATOM 532 CA GLN A 81 -8.510 -2.500 -4.237 1.00 0.00 ATOM 533 CB GLN A 81 -7.530 -1.533 -4.903 1.00 0.00 ATOM 534 CG GLN A 81 -6.478 -2.211 -5.766 1.00 0.00 ATOM 535 CD GLN A 81 -5.519 -1.223 -6.400 1.00 0.00 ATOM 536 OE1 GLN A 81 -4.675 -0.639 -5.720 1.00 0.00 ATOM 537 NE2 GLN A 81 -5.646 -1.032 -7.708 1.00 0.00 ATOM 538 O GLN A 81 -9.947 -2.249 -2.337 1.00 0.00 ATOM 539 C GLN A 81 -9.392 -1.656 -3.260 1.00 0.00 ATOM 540 N LEU A 82 -9.520 -0.320 -3.398 1.00 0.00 ATOM 541 CA LEU A 82 -10.072 0.555 -2.317 1.00 0.00 ATOM 542 CB LEU A 82 -10.054 2.021 -2.753 1.00 0.00 ATOM 543 CG LEU A 82 -10.608 3.034 -1.749 1.00 0.00 ATOM 544 CD1 LEU A 82 -9.789 3.023 -0.467 1.00 0.00 ATOM 545 CD2 LEU A 82 -10.568 4.441 -2.326 1.00 0.00 ATOM 546 O LEU A 82 -11.801 0.235 -0.662 1.00 0.00 ATOM 547 C LEU A 82 -11.544 0.285 -1.869 1.00 0.00 ATOM 548 N GLU A 83 -12.485 0.108 -2.818 1.00 0.00 ATOM 549 CA GLU A 83 -13.919 -0.177 -2.516 1.00 0.00 ATOM 550 CB GLU A 83 -14.715 -0.349 -3.811 1.00 0.00 ATOM 551 CG GLU A 83 -16.198 -0.610 -3.598 1.00 0.00 ATOM 552 CD GLU A 83 -16.944 -0.824 -4.900 1.00 0.00 ATOM 553 OE1 GLU A 83 -16.305 -0.752 -5.970 1.00 0.00 ATOM 554 OE2 GLU A 83 -18.169 -1.065 -4.850 1.00 0.00 ATOM 555 O GLU A 83 -14.749 -1.397 -0.600 1.00 0.00 ATOM 556 C GLU A 83 -14.150 -1.476 -1.677 1.00 0.00 ATOM 557 N GLU A 84 -13.651 -2.642 -2.140 1.00 0.00 ATOM 558 CA GLU A 84 -13.713 -3.912 -1.362 1.00 0.00 ATOM 559 CB GLU A 84 -13.662 -5.119 -2.301 1.00 0.00 ATOM 560 CG GLU A 84 -14.830 -5.201 -3.270 1.00 0.00 ATOM 561 CD GLU A 84 -16.141 -5.515 -2.576 1.00 0.00 ATOM 562 OE1 GLU A 84 -16.107 -5.902 -1.389 1.00 0.00 ATOM 563 OE2 GLU A 84 -17.202 -5.374 -3.220 1.00 0.00 ATOM 564 O GLU A 84 -12.658 -5.157 0.409 1.00 0.00 ATOM 565 C GLU A 84 -12.568 -4.163 -0.315 1.00 0.00 ATOM 566 N LEU A 85 -11.561 -3.280 -0.131 1.00 0.00 ATOM 567 CA LEU A 85 -10.730 -3.245 1.115 1.00 0.00 ATOM 568 CB LEU A 85 -9.569 -2.261 0.958 1.00 0.00 ATOM 569 CG LEU A 85 -8.473 -2.658 -0.033 1.00 0.00 ATOM 570 CD1 LEU A 85 -7.483 -1.519 -0.224 1.00 0.00 ATOM 571 CD2 LEU A 85 -7.709 -3.873 0.470 1.00 0.00 ATOM 572 O LEU A 85 -11.267 -3.387 3.454 1.00 0.00 ATOM 573 C LEU A 85 -11.511 -2.807 2.395 1.00 0.00 ATOM 574 N ASN A 86 -12.469 -1.857 2.303 1.00 0.00 ATOM 575 CA ASN A 86 -13.500 -1.632 3.360 1.00 0.00 ATOM 576 CB ASN A 86 -14.468 -0.525 2.938 1.00 0.00 ATOM 577 CG ASN A 86 -15.445 -0.154 4.036 1.00 0.00 ATOM 578 ND2 ASN A 86 -16.729 -0.376 3.783 1.00 0.00 ATOM 579 OD1 ASN A 86 -15.047 0.325 5.098 1.00 0.00 ATOM 580 O ASN A 86 -14.609 -3.163 4.879 1.00 0.00 ATOM 581 C ASN A 86 -14.392 -2.883 3.697 1.00 0.00 ATOM 582 N LYS A 87 -14.854 -3.651 2.686 1.00 0.00 ATOM 583 CA LYS A 87 -15.416 -5.026 2.878 1.00 0.00 ATOM 584 CB LYS A 87 -15.817 -5.634 1.532 1.00 0.00 ATOM 585 CG LYS A 87 -16.441 -7.016 1.637 1.00 0.00 ATOM 586 CD LYS A 87 -16.885 -7.525 0.275 1.00 0.00 ATOM 587 CE LYS A 87 -17.483 -8.919 0.375 1.00 0.00 ATOM 588 NZ LYS A 87 -17.910 -9.437 -0.954 1.00 0.00 ATOM 589 O LYS A 87 -14.892 -6.838 4.400 1.00 0.00 ATOM 590 C LYS A 87 -14.446 -6.068 3.545 1.00 0.00 ATOM 591 N THR A 88 -13.142 -6.072 3.191 1.00 0.00 ATOM 592 CA THR A 88 -12.090 -6.894 3.873 1.00 0.00 ATOM 593 CB THR A 88 -10.724 -6.752 3.177 1.00 0.00 ATOM 594 CG2 THR A 88 -9.657 -7.528 3.935 1.00 0.00 ATOM 595 OG1 THR A 88 -10.809 -7.265 1.841 1.00 0.00 ATOM 596 O THR A 88 -11.290 -7.393 6.101 1.00 0.00 ATOM 597 C THR A 88 -11.819 -6.539 5.385 1.00 0.00 ATOM 598 N LEU A 89 -12.220 -5.350 5.896 1.00 0.00 ATOM 599 CA LEU A 89 -12.176 -5.012 7.354 1.00 0.00 ATOM 600 CB LEU A 89 -12.618 -3.565 7.582 1.00 0.00 ATOM 601 CG LEU A 89 -11.695 -2.479 7.027 1.00 0.00 ATOM 602 CD1 LEU A 89 -12.311 -1.101 7.214 1.00 0.00 ATOM 603 CD2 LEU A 89 -10.351 -2.499 7.739 1.00 0.00 ATOM 604 O LEU A 89 -12.881 -5.751 9.541 1.00 0.00 ATOM 605 C LEU A 89 -13.073 -5.857 8.328 1.00 0.00 ATOM 606 N GLY A 90 -13.982 -6.730 7.846 1.00 0.00 ATOM 607 CA GLY A 90 -14.500 -7.870 8.651 1.00 0.00 ATOM 608 O GLY A 90 -13.373 -9.239 10.291 1.00 0.00 ATOM 609 C GLY A 90 -13.445 -8.917 9.103 1.00 0.00 ATOM 610 N ASN A 91 -12.618 -9.412 8.161 1.00 0.00 ATOM 611 CA ASN A 91 -11.426 -10.256 8.472 1.00 0.00 ATOM 612 CB ASN A 91 -10.835 -10.842 7.188 1.00 0.00 ATOM 613 CG ASN A 91 -11.696 -11.942 6.600 1.00 0.00 ATOM 614 ND2 ASN A 91 -11.513 -12.210 5.312 1.00 0.00 ATOM 615 OD1 ASN A 91 -12.514 -12.543 7.296 1.00 0.00 ATOM 616 O ASN A 91 -9.772 -9.975 10.210 1.00 0.00 ATOM 617 C ASN A 91 -10.261 -9.490 9.186 1.00 0.00 ATOM 618 N GLU A 92 -9.817 -8.327 8.661 1.00 0.00 ATOM 619 CA GLU A 92 -8.696 -7.529 9.245 1.00 0.00 ATOM 620 CB GLU A 92 -8.312 -6.381 8.310 1.00 0.00 ATOM 621 CG GLU A 92 -7.631 -6.827 7.026 1.00 0.00 ATOM 622 CD GLU A 92 -7.394 -5.680 6.063 1.00 0.00 ATOM 623 OE1 GLU A 92 -7.826 -4.548 6.370 1.00 0.00 ATOM 624 OE2 GLU A 92 -6.778 -5.913 5.002 1.00 0.00 ATOM 625 O GLU A 92 -8.191 -6.994 11.547 1.00 0.00 ATOM 626 C GLU A 92 -9.008 -6.876 10.630 1.00 0.00 ATOM 627 N LEU A 93 -10.153 -6.170 10.767 1.00 0.00 ATOM 628 CA LEU A 93 -10.550 -5.412 11.995 1.00 0.00 ATOM 629 CB LEU A 93 -10.529 -6.328 13.220 1.00 0.00 ATOM 630 CG LEU A 93 -11.472 -7.533 13.182 1.00 0.00 ATOM 631 CD1 LEU A 93 -11.284 -8.402 14.416 1.00 0.00 ATOM 632 CD2 LEU A 93 -12.923 -7.079 13.138 1.00 0.00 ATOM 633 O LEU A 93 -8.828 -4.221 13.261 1.00 0.00 ATOM 634 C LEU A 93 -9.592 -4.213 12.291 1.00 0.00 ATOM 635 N SER A 94 -9.627 -3.201 11.402 1.00 0.00 ATOM 636 CA SER A 94 -8.678 -2.053 11.410 1.00 0.00 ATOM 637 CB SER A 94 -7.372 -2.432 10.708 1.00 0.00 ATOM 638 OG SER A 94 -7.577 -2.624 9.319 1.00 0.00 ATOM 639 O SER A 94 -10.471 -0.810 10.278 1.00 0.00 ATOM 640 C SER A 94 -9.297 -0.818 10.667 1.00 0.00 ATOM 641 N ASP A 95 -8.488 0.235 10.454 1.00 0.00 ATOM 642 CA ASP A 95 -8.842 1.373 9.556 1.00 0.00 ATOM 643 CB ASP A 95 -8.024 2.615 9.917 1.00 0.00 ATOM 644 CG ASP A 95 -8.465 3.243 11.224 1.00 0.00 ATOM 645 OD1 ASP A 95 -9.549 2.876 11.724 1.00 0.00 ATOM 646 OD2 ASP A 95 -7.726 4.102 11.749 1.00 0.00 ATOM 647 O ASP A 95 -7.775 0.131 7.730 1.00 0.00 ATOM 648 C ASP A 95 -8.559 1.031 8.056 1.00 0.00 ATOM 649 N ILE A 96 -9.146 1.827 7.137 1.00 0.00 ATOM 650 CA ILE A 96 -8.725 1.862 5.695 1.00 0.00 ATOM 651 CB ILE A 96 -9.585 2.845 4.880 1.00 0.00 ATOM 652 CG1 ILE A 96 -11.024 2.335 4.775 1.00 0.00 ATOM 653 CG2 ILE A 96 -9.027 3.002 3.474 1.00 0.00 ATOM 654 CD1 ILE A 96 -11.996 3.357 4.229 1.00 0.00 ATOM 655 O ILE A 96 -6.479 1.638 4.830 1.00 0.00 ATOM 656 C ILE A 96 -7.224 2.313 5.540 1.00 0.00 ATOM 657 N LYS A 97 -6.774 3.390 6.224 1.00 0.00 ATOM 658 CA LYS A 97 -5.328 3.758 6.321 1.00 0.00 ATOM 659 CB LYS A 97 -5.142 4.961 7.247 1.00 0.00 ATOM 660 CG LYS A 97 -5.665 6.270 6.678 1.00 0.00 ATOM 661 CD LYS A 97 -5.447 7.420 7.647 1.00 0.00 ATOM 662 CE LYS A 97 -5.992 8.724 7.087 1.00 0.00 ATOM 663 NZ LYS A 97 -5.815 9.855 8.040 1.00 0.00 ATOM 664 O LYS A 97 -3.281 2.487 6.314 1.00 0.00 ATOM 665 C LYS A 97 -4.365 2.657 6.877 1.00 0.00 ATOM 666 N LEU A 98 -4.742 1.909 7.936 1.00 0.00 ATOM 667 CA LEU A 98 -3.963 0.727 8.417 1.00 0.00 ATOM 668 CB LEU A 98 -4.586 0.158 9.693 1.00 0.00 ATOM 669 CG LEU A 98 -4.464 1.022 10.950 1.00 0.00 ATOM 670 CD1 LEU A 98 -5.276 0.428 12.091 1.00 0.00 ATOM 671 CD2 LEU A 98 -3.014 1.117 11.399 1.00 0.00 ATOM 672 O LEU A 98 -2.791 -1.022 7.242 1.00 0.00 ATOM 673 C LEU A 98 -3.879 -0.466 7.409 1.00 0.00 ATOM 674 N SER A 99 -4.982 -0.829 6.723 1.00 0.00 ATOM 675 CA SER A 99 -4.965 -1.791 5.585 1.00 0.00 ATOM 676 CB SER A 99 -6.379 -2.000 5.039 1.00 0.00 ATOM 677 OG SER A 99 -6.375 -2.897 3.942 1.00 0.00 ATOM 678 O SER A 99 -3.293 -2.174 3.875 1.00 0.00 ATOM 679 C SER A 99 -4.091 -1.365 4.355 1.00 0.00 ATOM 680 N LEU A 100 -4.200 -0.102 3.886 1.00 0.00 ATOM 681 CA LEU A 100 -3.295 0.485 2.852 1.00 0.00 ATOM 682 CB LEU A 100 -3.688 1.934 2.556 1.00 0.00 ATOM 683 CG LEU A 100 -5.006 2.139 1.808 1.00 0.00 ATOM 684 CD1 LEU A 100 -5.367 3.616 1.750 1.00 0.00 ATOM 685 CD2 LEU A 100 -4.902 1.619 0.382 1.00 0.00 ATOM 686 O LEU A 100 -0.943 0.144 2.417 1.00 0.00 ATOM 687 C LEU A 100 -1.778 0.519 3.241 1.00 0.00 ATOM 688 N LEU A 101 -1.418 0.950 4.467 1.00 0.00 ATOM 689 CA LEU A 101 -0.010 0.960 4.959 1.00 0.00 ATOM 690 CB LEU A 101 0.085 1.695 6.298 1.00 0.00 ATOM 691 CG LEU A 101 1.475 1.772 6.932 1.00 0.00 ATOM 692 CD1 LEU A 101 2.441 2.514 6.022 1.00 0.00 ATOM 693 CD2 LEU A 101 1.418 2.504 8.264 1.00 0.00 ATOM 694 O LEU A 101 1.724 -0.708 4.715 1.00 0.00 ATOM 695 C LEU A 101 0.614 -0.457 5.195 1.00 0.00 ATOM 696 N SER A 102 -0.079 -1.358 5.923 1.00 0.00 ATOM 697 CA SER A 102 0.439 -2.714 6.272 1.00 0.00 ATOM 698 CB SER A 102 -0.509 -3.415 7.247 1.00 0.00 ATOM 699 OG SER A 102 -0.535 -2.752 8.499 1.00 0.00 ATOM 700 O SER A 102 1.683 -4.304 4.961 1.00 0.00 ATOM 701 C SER A 102 0.616 -3.697 5.074 1.00 0.00 ATOM 702 N LEU A 103 -0.392 -3.842 4.187 1.00 0.00 ATOM 703 CA LEU A 103 -0.318 -4.752 3.002 1.00 0.00 ATOM 704 CB LEU A 103 -1.655 -4.774 2.259 1.00 0.00 ATOM 705 CG LEU A 103 -2.833 -5.410 3.000 1.00 0.00 ATOM 706 CD1 LEU A 103 -4.120 -5.244 2.208 1.00 0.00 ATOM 707 CD2 LEU A 103 -2.594 -6.897 3.213 1.00 0.00 ATOM 708 O LEU A 103 1.162 -5.321 1.180 1.00 0.00 ATOM 709 C LEU A 103 0.750 -4.410 1.902 1.00 0.00 ATOM 710 N LYS A 104 1.256 -3.158 1.804 1.00 0.00 ATOM 711 CA LYS A 104 2.517 -2.843 1.061 1.00 0.00 ATOM 712 CB LYS A 104 2.817 -1.344 1.127 1.00 0.00 ATOM 713 CG LYS A 104 1.857 -0.483 0.323 1.00 0.00 ATOM 714 CD LYS A 104 2.211 0.991 0.435 1.00 0.00 ATOM 715 CE LYS A 104 1.236 1.854 -0.348 1.00 0.00 ATOM 716 NZ LYS A 104 1.550 3.304 -0.219 1.00 0.00 ATOM 717 O LYS A 104 4.503 -4.207 0.839 1.00 0.00 ATOM 718 C LYS A 104 3.784 -3.580 1.619 1.00 0.00 ATOM 719 N GLY A 105 4.037 -3.515 2.947 1.00 0.00 ATOM 720 CA GLY A 105 5.095 -4.314 3.619 1.00 0.00 ATOM 721 O GLY A 105 6.002 -6.529 3.426 1.00 0.00 ATOM 722 C GLY A 105 4.979 -5.860 3.585 1.00 0.00 ATOM 723 N ASP A 106 3.756 -6.418 3.702 1.00 0.00 ATOM 724 CA ASP A 106 3.484 -7.869 3.457 1.00 0.00 ATOM 725 CB ASP A 106 2.002 -8.181 3.675 1.00 0.00 ATOM 726 CG ASP A 106 1.611 -8.156 5.140 1.00 0.00 ATOM 727 OD1 ASP A 106 2.520 -8.136 5.997 1.00 0.00 ATOM 728 OD2 ASP A 106 0.397 -8.157 5.431 1.00 0.00 ATOM 729 O ASP A 106 4.547 -9.348 1.864 1.00 0.00 ATOM 730 C ASP A 106 3.830 -8.353 2.008 1.00 0.00 ATOM 731 N TYR A 107 3.384 -7.632 0.955 1.00 0.00 ATOM 732 CA TYR A 107 3.838 -7.854 -0.449 1.00 0.00 ATOM 733 CB TYR A 107 3.191 -6.835 -1.389 1.00 0.00 ATOM 734 CG TYR A 107 3.630 -6.965 -2.830 1.00 0.00 ATOM 735 CD1 TYR A 107 3.082 -7.938 -3.656 1.00 0.00 ATOM 736 CD2 TYR A 107 4.592 -6.114 -3.359 1.00 0.00 ATOM 737 CE1 TYR A 107 3.478 -8.064 -4.974 1.00 0.00 ATOM 738 CE2 TYR A 107 5.000 -6.226 -4.675 1.00 0.00 ATOM 739 CZ TYR A 107 4.433 -7.211 -5.482 1.00 0.00 ATOM 740 OH TYR A 107 4.829 -7.335 -6.794 1.00 0.00 ATOM 741 O TYR A 107 5.970 -8.605 -1.325 1.00 0.00 ATOM 742 C TYR A 107 5.381 -7.731 -0.683 1.00 0.00 ATOM 743 N ALA A 108 6.012 -6.661 -0.161 1.00 0.00 ATOM 744 CA ALA A 108 7.484 -6.474 -0.186 1.00 0.00 ATOM 745 CB ALA A 108 7.870 -5.207 0.561 1.00 0.00 ATOM 746 O ALA A 108 9.353 -7.988 -0.138 1.00 0.00 ATOM 747 C ALA A 108 8.345 -7.604 0.455 1.00 0.00 ATOM 748 N GLU A 109 7.939 -8.158 1.616 1.00 0.00 ATOM 749 CA GLU A 109 8.561 -9.376 2.212 1.00 0.00 ATOM 750 CB GLU A 109 7.904 -9.712 3.553 1.00 0.00 ATOM 751 CG GLU A 109 8.520 -10.906 4.263 1.00 0.00 ATOM 752 CD GLU A 109 7.883 -11.173 5.613 1.00 0.00 ATOM 753 OE1 GLU A 109 6.972 -10.411 6.001 1.00 0.00 ATOM 754 OE2 GLU A 109 8.294 -12.143 6.283 1.00 0.00 ATOM 755 O GLU A 109 9.432 -11.418 1.237 1.00 0.00 ATOM 756 C GLU A 109 8.451 -10.675 1.341 1.00 0.00 ATOM 757 N LEU A 110 7.287 -10.926 0.705 1.00 0.00 ATOM 758 CA LEU A 110 7.082 -12.058 -0.247 1.00 0.00 ATOM 759 CB LEU A 110 5.623 -12.116 -0.704 1.00 0.00 ATOM 760 CG LEU A 110 4.600 -12.551 0.347 1.00 0.00 ATOM 761 CD1 LEU A 110 3.183 -12.382 -0.179 1.00 0.00 ATOM 762 CD2 LEU A 110 4.798 -14.013 0.717 1.00 0.00 ATOM 763 O LEU A 110 8.571 -12.991 -1.901 1.00 0.00 ATOM 764 C LEU A 110 7.943 -11.987 -1.553 1.00 0.00 ATOM 765 N GLU A 111 8.028 -10.823 -2.236 1.00 0.00 ATOM 766 CA GLU A 111 9.063 -10.575 -3.291 1.00 0.00 ATOM 767 CB GLU A 111 8.752 -9.286 -4.054 1.00 0.00 ATOM 768 CG GLU A 111 7.473 -9.343 -4.874 1.00 0.00 ATOM 769 CD GLU A 111 7.501 -10.439 -5.921 1.00 0.00 ATOM 770 OE1 GLU A 111 8.442 -10.452 -6.743 1.00 0.00 ATOM 771 OE2 GLU A 111 6.582 -11.285 -5.920 1.00 0.00 ATOM 772 O GLU A 111 11.451 -10.389 -3.660 1.00 0.00 ATOM 773 C GLU A 111 10.555 -10.411 -2.811 1.00 0.00 ATOM 774 N HIS A 112 10.827 -10.318 -1.492 1.00 0.00 ATOM 775 CA HIS A 112 12.192 -10.289 -0.884 1.00 0.00 ATOM 776 CB HIS A 112 13.126 -11.252 -1.619 1.00 0.00 ATOM 777 CG HIS A 112 12.693 -12.684 -1.552 1.00 0.00 ATOM 778 CD2 HIS A 112 12.104 -13.635 -2.483 1.00 0.00 ATOM 779 ND1 HIS A 112 12.803 -13.442 -0.407 1.00 0.00 ATOM 780 CE1 HIS A 112 12.335 -14.679 -0.653 1.00 0.00 ATOM 781 NE2 HIS A 112 11.914 -14.801 -1.897 1.00 0.00 ATOM 782 O HIS A 112 13.678 -8.573 -1.796 1.00 0.00 ATOM 783 C HIS A 112 12.826 -8.867 -0.953 1.00 0.00 ATOM 784 N HIS A 113 12.361 -7.997 -0.040 1.00 0.00 ATOM 785 CA HIS A 113 12.767 -6.564 0.063 1.00 0.00 ATOM 786 CB HIS A 113 11.852 -5.685 -0.793 1.00 0.00 ATOM 787 CG HIS A 113 11.901 -6.005 -2.254 1.00 0.00 ATOM 788 CD2 HIS A 113 11.036 -6.703 -3.194 1.00 0.00 ATOM 789 ND1 HIS A 113 12.948 -5.623 -3.065 1.00 0.00 ATOM 790 CE1 HIS A 113 12.710 -6.051 -4.318 1.00 0.00 ATOM 791 NE2 HIS A 113 11.565 -6.700 -4.402 1.00 0.00 ATOM 792 O HIS A 113 13.589 -5.374 2.010 1.00 0.00 ATOM 793 C HIS A 113 12.679 -6.067 1.549 1.00 0.00 ATOM 794 N HIS 114 11.578 -6.381 2.275 1.00 0.00 ATOM 795 CA HIS 114 11.295 -5.881 3.645 1.00 0.00 ENDMDL