EXPDTA CaspIta-FOX_TS5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called CaspIta-FOX_TS5-scwrl ATOM 1 C PRO 41 11.359 54.426 -3.205 1.00 0.00 ATOM 2 N THR A 42 10.935 54.478 -1.949 1.00 0.00 ATOM 3 CA THR A 42 9.503 54.603 -1.685 1.00 0.00 ATOM 4 CB THR A 42 9.159 54.202 -0.238 1.00 0.00 ATOM 5 CG2 THR A 42 9.653 52.794 0.056 1.00 0.00 ATOM 6 OG1 THR A 42 9.783 55.114 0.674 1.00 0.00 ATOM 7 O THR A 42 9.848 56.976 -1.961 1.00 0.00 ATOM 8 C THR A 42 9.037 56.049 -1.894 1.00 0.00 ATOM 9 N GLN A 43 7.721 56.220 -1.986 1.00 0.00 ATOM 10 CA GLN A 43 7.081 57.515 -2.229 1.00 0.00 ATOM 11 CB GLN A 43 5.817 57.338 -3.072 1.00 0.00 ATOM 12 CG GLN A 43 5.122 58.642 -3.431 1.00 0.00 ATOM 13 CD GLN A 43 3.908 58.431 -4.314 1.00 0.00 ATOM 14 OE1 GLN A 43 3.609 57.307 -4.717 1.00 0.00 ATOM 15 NE2 GLN A 43 3.204 59.516 -4.618 1.00 0.00 ATOM 16 O GLN A 43 5.939 57.662 -0.107 1.00 0.00 ATOM 17 C GLN A 43 6.665 58.230 -0.930 1.00 0.00 ATOM 18 N ALA A 44 7.127 59.472 -0.760 1.00 0.00 ATOM 19 CA ALA A 44 6.823 60.270 0.434 1.00 0.00 ATOM 20 CB ALA A 44 7.923 61.290 0.684 1.00 0.00 ATOM 21 O ALA A 44 5.068 61.666 1.308 1.00 0.00 ATOM 22 C ALA A 44 5.511 61.052 0.337 1.00 0.00 ATOM 23 N GLU A 45 4.894 61.041 -0.838 1.00 0.00 ATOM 24 CA GLU A 45 3.640 61.756 -1.032 1.00 0.00 ATOM 25 CB GLU A 45 3.579 62.359 -2.437 1.00 0.00 ATOM 26 CG GLU A 45 4.636 63.418 -2.704 1.00 0.00 ATOM 27 CD GLU A 45 4.553 63.982 -4.109 1.00 0.00 ATOM 28 OE1 GLU A 45 3.715 63.494 -4.897 1.00 0.00 ATOM 29 OE2 GLU A 45 5.327 64.911 -4.423 1.00 0.00 ATOM 30 O GLU A 45 1.314 61.162 -0.842 1.00 0.00 ATOM 31 C GLU A 45 2.486 60.776 -0.852 1.00 0.00 ATOM 32 N LEU A 46 2.842 59.502 -0.698 1.00 0.00 ATOM 33 CA LEU A 46 1.873 58.431 -0.509 1.00 0.00 ATOM 34 CB LEU A 46 2.576 57.142 -0.078 1.00 0.00 ATOM 35 CG LEU A 46 3.466 56.472 -1.127 1.00 0.00 ATOM 36 CD1 LEU A 46 4.206 55.287 -0.526 1.00 0.00 ATOM 37 CD2 LEU A 46 2.634 55.970 -2.297 1.00 0.00 ATOM 38 O LEU A 46 1.086 59.580 1.447 1.00 0.00 ATOM 39 C LEU A 46 0.839 58.765 0.558 1.00 0.00 ATOM 40 N GLU A 47 -0.324 58.134 0.466 1.00 0.00 ATOM 41 CA GLU A 47 -1.364 58.364 1.451 1.00 0.00 ATOM 42 CB GLU A 47 -2.747 58.220 0.813 1.00 0.00 ATOM 43 CG GLU A 47 -3.052 59.263 -0.250 1.00 0.00 ATOM 44 CD GLU A 47 -4.427 59.084 -0.864 1.00 0.00 ATOM 45 OE1 GLU A 47 -5.151 58.159 -0.440 1.00 0.00 ATOM 46 OE2 GLU A 47 -4.780 59.869 -1.769 1.00 0.00 ATOM 47 O GLU A 47 -1.718 57.471 3.657 1.00 0.00 ATOM 48 C GLU A 47 -1.186 57.323 2.554 1.00 0.00 ATOM 49 N THR A 48 -0.433 56.267 2.250 1.00 0.00 ATOM 50 CA THR A 48 -0.162 55.227 3.235 1.00 0.00 ATOM 51 CB THR A 48 0.292 53.918 2.563 1.00 0.00 ATOM 52 CG2 THR A 48 0.566 52.849 3.610 1.00 0.00 ATOM 53 OG1 THR A 48 -0.734 53.450 1.680 1.00 0.00 ATOM 54 O THR A 48 0.917 55.533 5.365 1.00 0.00 ATOM 55 C THR A 48 0.946 55.741 4.151 1.00 0.00 ATOM 56 N TRP A 49 1.931 56.402 3.550 1.00 0.00 ATOM 57 CA TRP A 49 3.044 56.990 4.292 1.00 0.00 ATOM 58 CB TRP A 49 3.961 57.773 3.351 1.00 0.00 ATOM 59 CG TRP A 49 5.137 58.395 4.039 1.00 0.00 ATOM 60 CD1 TRP A 49 6.336 57.802 4.311 1.00 0.00 ATOM 61 CD2 TRP A 49 5.227 59.733 4.544 1.00 0.00 ATOM 62 CE2 TRP A 49 6.510 59.880 5.109 1.00 0.00 ATOM 63 CE3 TRP A 49 4.350 60.821 4.574 1.00 0.00 ATOM 64 NE1 TRP A 49 7.168 58.686 4.954 1.00 0.00 ATOM 65 CZ2 TRP A 49 6.935 61.070 5.696 1.00 0.00 ATOM 66 CZ3 TRP A 49 4.776 61.999 5.157 1.00 0.00 ATOM 67 CH2 TRP A 49 6.055 62.118 5.711 1.00 0.00 ATOM 68 O TRP A 49 2.795 57.891 6.507 1.00 0.00 ATOM 69 C TRP A 49 2.433 57.921 5.333 1.00 0.00 ATOM 70 N TRP A 50 1.496 58.744 4.872 1.00 0.00 ATOM 71 CA TRP A 50 0.782 59.699 5.713 1.00 0.00 ATOM 72 CB TRP A 50 -0.404 60.298 4.955 1.00 0.00 ATOM 73 CG TRP A 50 -1.169 61.316 5.745 1.00 0.00 ATOM 74 CD1 TRP A 50 -2.383 61.144 6.345 1.00 0.00 ATOM 75 CD2 TRP A 50 -0.770 62.664 6.022 1.00 0.00 ATOM 76 CE2 TRP A 50 -1.792 63.250 6.795 1.00 0.00 ATOM 77 CE3 TRP A 50 0.350 63.433 5.692 1.00 0.00 ATOM 78 NE1 TRP A 50 -2.766 62.301 6.979 1.00 0.00 ATOM 79 CZ2 TRP A 50 -1.727 64.569 7.242 1.00 0.00 ATOM 80 CZ3 TRP A 50 0.410 64.740 6.137 1.00 0.00 ATOM 81 CH2 TRP A 50 -0.619 65.297 6.904 1.00 0.00 ATOM 82 O TRP A 50 0.356 59.631 8.075 1.00 0.00 ATOM 83 C TRP A 50 0.229 59.067 6.992 1.00 0.00 ATOM 84 N GLU A 51 -0.390 57.897 6.864 1.00 0.00 ATOM 85 CA GLU A 51 -0.956 57.212 8.019 1.00 0.00 ATOM 86 CB GLU A 51 -1.909 56.102 7.570 1.00 0.00 ATOM 87 CG GLU A 51 -3.200 56.608 6.947 1.00 0.00 ATOM 88 CD GLU A 51 -4.063 55.486 6.404 1.00 0.00 ATOM 89 OE1 GLU A 51 -3.618 54.319 6.449 1.00 0.00 ATOM 90 OE2 GLU A 51 -5.183 55.773 5.933 1.00 0.00 ATOM 91 O GLU A 51 0.073 56.599 10.098 1.00 0.00 ATOM 92 C GLU A 51 0.145 56.580 8.873 1.00 0.00 ATOM 93 N GLU A 52 1.166 56.022 8.235 1.00 0.00 ATOM 94 CA GLU A 52 2.250 55.418 8.996 1.00 0.00 ATOM 95 CB GLU A 52 3.314 54.850 8.055 1.00 0.00 ATOM 96 CG GLU A 52 4.465 54.157 8.765 1.00 0.00 ATOM 97 CD GLU A 52 5.481 53.578 7.800 1.00 0.00 ATOM 98 OE1 GLU A 52 5.278 53.707 6.575 1.00 0.00 ATOM 99 OE2 GLU A 52 6.481 52.995 8.270 1.00 0.00 ATOM 100 O GLU A 52 3.119 56.266 11.068 1.00 0.00 ATOM 101 C GLU A 52 2.872 56.491 9.878 1.00 0.00 ATOM 102 N LEU A 53 3.109 57.660 9.284 1.00 0.00 ATOM 103 CA LEU A 53 3.690 58.786 10.000 1.00 0.00 ATOM 104 CB LEU A 53 3.792 60.008 9.085 1.00 0.00 ATOM 105 CG LEU A 53 4.372 61.278 9.711 1.00 0.00 ATOM 106 CD1 LEU A 53 5.803 61.044 10.172 1.00 0.00 ATOM 107 CD2 LEU A 53 4.376 62.419 8.706 1.00 0.00 ATOM 108 O LEU A 53 3.335 59.314 12.300 1.00 0.00 ATOM 109 C LEU A 53 2.831 59.145 11.190 1.00 0.00 ATOM 110 N GLN A 54 1.529 59.263 10.966 1.00 0.00 ATOM 111 CA GLN A 54 0.644 59.628 12.058 1.00 0.00 ATOM 112 CB GLN A 54 -0.793 59.779 11.555 1.00 0.00 ATOM 113 CG GLN A 54 -1.019 60.998 10.677 1.00 0.00 ATOM 114 CD GLN A 54 -2.433 61.072 10.135 1.00 0.00 ATOM 115 OE1 GLN A 54 -3.250 60.185 10.382 1.00 0.00 ATOM 116 NE2 GLN A 54 -2.726 62.134 9.394 1.00 0.00 ATOM 117 O GLN A 54 0.465 58.898 14.339 1.00 0.00 ATOM 118 C GLN A 54 0.646 58.572 13.160 1.00 0.00 ATOM 119 N LYS A 55 0.839 57.310 12.772 1.00 0.00 ATOM 120 CA LYS A 55 0.877 56.216 13.734 1.00 0.00 ATOM 121 CB LYS A 55 1.005 54.873 13.013 1.00 0.00 ATOM 122 CG LYS A 55 1.011 53.668 13.940 1.00 0.00 ATOM 123 CD LYS A 55 1.068 52.368 13.156 1.00 0.00 ATOM 124 CE LYS A 55 1.124 51.165 14.084 1.00 0.00 ATOM 125 NZ LYS A 55 1.205 49.884 13.330 1.00 0.00 ATOM 126 O LYS A 55 1.966 56.505 15.845 1.00 0.00 ATOM 127 C LYS A 55 2.079 56.455 14.616 1.00 0.00 ATOM 128 N ASN 56 3.235 56.611 13.978 1.00 0.00 ATOM 129 CA ASN 56 4.457 56.856 14.718 1.00 0.00 ATOM 130 C GLU 66 3.006 60.501 16.861 1.00 0.00 ATOM 131 N LEU A 67 1.982 59.674 16.870 1.00 0.00 ATOM 132 CA LEU A 67 1.200 59.454 18.073 1.00 0.00 ATOM 133 CB LEU A 67 -0.075 58.673 17.748 1.00 0.00 ATOM 134 CG LEU A 67 -1.137 59.417 16.935 1.00 0.00 ATOM 135 CD1 LEU A 67 -2.261 58.476 16.530 1.00 0.00 ATOM 136 CD2 LEU A 67 -1.737 60.554 17.747 1.00 0.00 ATOM 137 O LEU A 67 1.984 58.913 20.295 1.00 0.00 ATOM 138 C LEU A 67 2.031 58.654 19.081 1.00 0.00 ATOM 139 N LEU A 68 2.785 57.681 18.566 1.00 0.00 ATOM 140 CA LEU A 68 3.612 56.816 19.403 1.00 0.00 ATOM 141 CB LEU A 68 4.270 55.723 18.558 1.00 0.00 ATOM 142 CG LEU A 68 5.183 54.748 19.304 1.00 0.00 ATOM 143 CD1 LEU A 68 4.401 53.977 20.357 1.00 0.00 ATOM 144 CD2 LEU A 68 5.799 53.745 18.340 1.00 0.00 ATOM 145 O LEU A 68 4.963 57.423 21.288 1.00 0.00 ATOM 146 C LEU A 68 4.710 57.599 20.090 1.00 0.00 ATOM 147 N ALA A 69 5.382 58.459 19.339 1.00 0.00 ATOM 148 CA ALA A 69 6.423 59.263 19.956 1.00 0.00 ATOM 149 CB ALA A 69 7.049 60.197 18.932 1.00 0.00 ATOM 150 O ALA A 69 6.458 60.242 22.145 1.00 0.00 ATOM 151 C ALA A 69 5.838 60.106 21.093 1.00 0.00 ATOM 152 N GLN A 70 4.652 60.676 20.894 1.00 0.00 ATOM 153 CA GLN A 70 4.045 61.468 21.957 1.00 0.00 ATOM 154 CB GLN A 70 2.667 61.975 21.527 1.00 0.00 ATOM 155 CG GLN A 70 2.709 63.050 20.453 1.00 0.00 ATOM 156 CD GLN A 70 1.327 63.447 19.972 1.00 0.00 ATOM 157 OE1 GLN A 70 0.325 62.855 20.375 1.00 0.00 ATOM 158 NE2 GLN A 70 1.269 64.452 19.106 1.00 0.00 ATOM 159 O GLN A 70 4.050 61.107 24.325 1.00 0.00 ATOM 160 C GLN A 70 3.880 60.629 23.211 1.00 0.00 ATOM 161 N GLU A 71 3.547 59.364 23.018 1.00 0.00 ATOM 162 CA GLU A 71 3.338 58.445 24.128 1.00 0.00 ATOM 163 CB GLU A 71 2.775 57.115 23.624 1.00 0.00 ATOM 164 CG GLU A 71 1.343 57.197 23.122 1.00 0.00 ATOM 165 CD GLU A 71 0.867 55.899 22.500 1.00 0.00 ATOM 166 OE1 GLU A 71 1.681 54.957 22.398 1.00 0.00 ATOM 167 OE2 GLU A 71 -0.318 55.824 22.114 1.00 0.00 ATOM 168 O GLU A 71 4.729 58.263 26.074 1.00 0.00 ATOM 169 C GLU A 71 4.645 58.166 24.850 1.00 0.00 ATOM 170 N LEU A 72 5.664 57.823 24.070 1.00 0.00 ATOM 171 CA LEU A 72 6.977 57.503 24.607 1.00 0.00 ATOM 172 CB LEU A 72 7.962 57.208 23.474 1.00 0.00 ATOM 173 CG LEU A 72 9.395 56.870 23.892 1.00 0.00 ATOM 174 CD1 LEU A 72 9.424 55.608 24.740 1.00 0.00 ATOM 175 CD2 LEU A 72 10.271 56.642 22.670 1.00 0.00 ATOM 176 O LEU A 72 8.031 58.438 26.543 1.00 0.00 ATOM 177 C LEU A 72 7.554 58.644 25.431 1.00 0.00 ATOM 178 N SER A 73 7.486 59.856 24.894 1.00 0.00 ATOM 179 CA SER A 73 8.034 61.011 25.589 1.00 0.00 ATOM 180 CB SER A 73 8.016 62.242 24.680 1.00 0.00 ATOM 181 OG SER A 73 8.893 62.076 23.579 1.00 0.00 ATOM 182 O SER A 73 7.923 61.771 27.848 1.00 0.00 ATOM 183 C SER A 73 7.293 61.415 26.856 1.00 0.00 ATOM 184 N GLN A 74 5.969 61.351 26.840 1.00 0.00 ATOM 185 CA GLN A 74 5.230 61.689 28.041 1.00 0.00 ATOM 186 CB GLN A 74 3.724 61.630 27.778 1.00 0.00 ATOM 187 CG GLN A 74 3.205 62.746 26.886 1.00 0.00 ATOM 188 CD GLN A 74 1.739 62.580 26.539 1.00 0.00 ATOM 189 OE1 GLN A 74 1.114 61.583 26.901 1.00 0.00 ATOM 190 NE2 GLN A 74 1.184 63.561 25.835 1.00 0.00 ATOM 191 O GLN A 74 6.099 61.021 30.162 1.00 0.00 ATOM 192 C GLN A 74 5.633 60.664 29.082 1.00 0.00 ATOM 193 N GLU A 75 5.474 59.387 28.742 1.00 0.00 ATOM 194 CA GLU A 75 5.835 58.292 29.642 1.00 0.00 ATOM 195 CB GLU A 75 5.912 56.971 28.874 1.00 0.00 ATOM 196 CG GLU A 75 6.189 55.759 29.750 1.00 0.00 ATOM 197 CD GLU A 75 6.150 54.458 28.973 1.00 0.00 ATOM 198 OE1 GLU A 75 5.932 54.506 27.744 1.00 0.00 ATOM 199 OE2 GLU A 75 6.339 53.390 29.593 1.00 0.00 ATOM 200 O GLU A 75 7.335 58.506 31.515 1.00 0.00 ATOM 201 C GLU A 75 7.198 58.550 30.293 1.00 0.00 ATOM 202 N LYS A 76 8.201 58.830 29.468 1.00 0.00 ATOM 203 CA LYS A 76 9.542 59.091 29.970 1.00 0.00 ATOM 204 CB LYS A 76 10.478 59.477 28.823 1.00 0.00 ATOM 205 CG LYS A 76 11.905 59.766 29.257 1.00 0.00 ATOM 206 CD LYS A 76 12.787 60.107 28.066 1.00 0.00 ATOM 207 CE LYS A 76 14.210 60.413 28.502 1.00 0.00 ATOM 208 NZ LYS A 76 15.078 60.778 27.349 1.00 0.00 ATOM 209 O LYS A 76 9.940 60.077 32.101 1.00 0.00 ATOM 210 C LYS A 76 9.502 60.220 30.965 1.00 0.00 ATOM 211 N LEU A 77 8.979 61.354 30.517 1.00 0.00 ATOM 212 CA LEU A 77 8.871 62.540 31.347 1.00 0.00 ATOM 213 CB LEU A 77 8.021 63.605 30.651 1.00 0.00 ATOM 214 CG LEU A 77 8.643 64.274 29.424 1.00 0.00 ATOM 215 CD1 LEU A 77 7.635 65.182 28.737 1.00 0.00 ATOM 216 CD2 LEU A 77 9.847 65.114 29.821 1.00 0.00 ATOM 217 O LEU A 77 8.591 62.600 33.730 1.00 0.00 ATOM 218 C LEU A 77 8.214 62.133 32.661 1.00 0.00 ATOM 219 N ALA A 78 7.231 61.247 32.566 1.00 0.00 ATOM 220 CA ALA A 78 6.497 60.753 33.725 1.00 0.00 ATOM 221 CB ALA A 78 5.340 59.870 33.283 1.00 0.00 ATOM 222 O ALA A 78 7.478 60.177 35.842 1.00 0.00 ATOM 223 C ALA A 78 7.408 59.927 34.640 1.00 0.00 ATOM 224 N ARG A 79 8.104 58.947 34.062 1.00 0.00 ATOM 225 CA ARG A 79 9.015 58.084 34.815 1.00 0.00 ATOM 226 CB ARG A 79 9.721 57.103 33.877 1.00 0.00 ATOM 227 CG ARG A 79 8.800 56.064 33.258 1.00 0.00 ATOM 228 CD ARG A 79 9.560 55.142 32.319 1.00 0.00 ATOM 229 NE ARG A 79 8.684 54.155 31.693 1.00 0.00 ATOM 230 CZ ARG A 79 9.083 53.271 30.784 1.00 0.00 ATOM 231 NH1 ARG A 79 8.215 52.411 30.270 1.00 0.00 ATOM 232 NH2 ARG A 79 10.349 53.249 30.392 1.00 0.00 ATOM 233 O ARG A 79 10.161 58.960 36.756 1.00 0.00 ATOM 234 C ARG A 79 10.073 58.941 35.523 1.00 0.00 ATOM 235 N LYS A 80 13.915 60.939 46.739 1.00 0.00 ATOM 236 CA LYS A 80 13.747 61.722 47.953 1.00 0.00 ATOM 237 CB LYS A 80 12.696 62.814 47.745 1.00 0.00 ATOM 238 CG LYS A 80 12.457 63.686 48.967 1.00 0.00 ATOM 239 CD LYS A 80 11.431 64.770 48.679 1.00 0.00 ATOM 240 CE LYS A 80 11.179 65.631 49.906 1.00 0.00 ATOM 241 NZ LYS A 80 10.152 66.679 49.648 1.00 0.00 ATOM 242 O LYS A 80 13.939 60.818 50.147 1.00 0.00 ATOM 243 C LYS A 80 13.298 60.844 49.100 1.00 0.00 ATOM 244 N GLN A 81 12.194 60.126 48.902 1.00 0.00 ATOM 245 CA GLN A 81 11.662 59.263 49.953 1.00 0.00 ATOM 246 CB GLN A 81 10.447 58.485 49.444 1.00 0.00 ATOM 247 CG GLN A 81 9.211 59.342 49.221 1.00 0.00 ATOM 248 CD GLN A 81 8.064 58.561 48.610 1.00 0.00 ATOM 249 OE1 GLN A 81 8.212 57.389 48.264 1.00 0.00 ATOM 250 NE2 GLN A 81 6.913 59.210 48.475 1.00 0.00 ATOM 251 O GLN A 81 12.789 58.028 51.647 1.00 0.00 ATOM 252 C GLN A 81 12.681 58.243 50.443 1.00 0.00 ATOM 253 N LEU A 82 13.428 57.618 49.532 1.00 0.00 ATOM 254 CA LEU A 82 14.446 56.656 49.949 1.00 0.00 ATOM 255 CB LEU A 82 15.171 56.081 48.731 1.00 0.00 ATOM 256 CG LEU A 82 16.280 55.067 49.018 1.00 0.00 ATOM 257 CD1 LEU A 82 15.720 53.842 49.723 1.00 0.00 ATOM 258 CD2 LEU A 82 16.940 54.612 47.725 1.00 0.00 ATOM 259 O LEU A 82 15.834 56.856 51.896 1.00 0.00 ATOM 260 C LEU A 82 15.452 57.371 50.847 1.00 0.00 ATOM 261 N GLU A 83 15.882 58.561 50.441 1.00 0.00 ATOM 262 CA GLU A 83 16.825 59.315 51.254 1.00 0.00 ATOM 263 CB GLU A 83 17.101 60.682 50.625 1.00 0.00 ATOM 264 CG GLU A 83 17.920 60.623 49.346 1.00 0.00 ATOM 265 CD GLU A 83 18.069 61.980 48.686 1.00 0.00 ATOM 266 OE1 GLU A 83 17.470 62.954 49.189 1.00 0.00 ATOM 267 OE2 GLU A 83 18.785 62.069 47.667 1.00 0.00 ATOM 268 O GLU A 83 16.936 59.429 53.635 1.00 0.00 ATOM 269 C GLU A 83 16.236 59.514 52.643 1.00 0.00 ATOM 270 N GLU A 84 14.939 59.772 52.700 1.00 0.00 ATOM 271 CA GLU A 84 14.258 59.962 53.969 1.00 0.00 ATOM 272 CB GLU A 84 12.796 60.349 53.740 1.00 0.00 ATOM 273 CG GLU A 84 12.013 60.602 55.018 1.00 0.00 ATOM 274 CD GLU A 84 10.557 60.933 54.753 1.00 0.00 ATOM 275 OE1 GLU A 84 10.165 60.982 53.569 1.00 0.00 ATOM 276 OE2 GLU A 84 9.809 61.144 55.731 1.00 0.00 ATOM 277 O GLU A 84 14.802 58.614 55.881 1.00 0.00 ATOM 278 C GLU A 84 14.322 58.657 54.747 1.00 0.00 ATOM 279 N LEU A 85 13.830 57.596 54.121 1.00 0.00 ATOM 280 CA LEU A 85 13.813 56.270 54.725 1.00 0.00 ATOM 281 CB LEU A 85 13.377 55.220 53.701 1.00 0.00 ATOM 282 CG LEU A 85 13.322 53.773 54.195 1.00 0.00 ATOM 283 CD1 LEU A 85 12.290 53.622 55.302 1.00 0.00 ATOM 284 CD2 LEU A 85 12.944 52.832 53.061 1.00 0.00 ATOM 285 O LEU A 85 15.336 55.506 56.412 1.00 0.00 ATOM 286 C LEU A 85 15.193 55.870 55.246 1.00 0.00 ATOM 287 N ASN A 86 16.210 55.943 54.393 1.00 0.00 ATOM 288 CA ASN A 86 17.538 55.558 54.823 1.00 0.00 ATOM 289 CB ASN A 86 18.562 55.844 53.723 1.00 0.00 ATOM 290 CG ASN A 86 18.461 54.870 52.565 1.00 0.00 ATOM 291 ND2 ASN A 86 19.070 55.225 51.440 1.00 0.00 ATOM 292 OD1 ASN A 86 17.842 53.813 52.684 1.00 0.00 ATOM 293 O ASN A 86 18.610 55.748 56.959 1.00 0.00 ATOM 294 C ASN A 86 17.980 56.314 56.070 1.00 0.00 ATOM 295 N LYS A 87 17.644 57.591 56.153 1.00 0.00 ATOM 296 CA LYS A 87 18.018 58.362 57.328 1.00 0.00 ATOM 297 CB LYS A 87 17.563 59.815 57.182 1.00 0.00 ATOM 298 CG LYS A 87 18.339 60.607 56.142 1.00 0.00 ATOM 299 CD LYS A 87 17.837 62.040 56.052 1.00 0.00 ATOM 300 CE LYS A 87 18.597 62.825 54.995 1.00 0.00 ATOM 301 NZ LYS A 87 18.094 64.221 54.872 1.00 0.00 ATOM 302 O LYS A 87 17.951 57.555 59.587 1.00 0.00 ATOM 303 C LYS A 87 17.341 57.728 58.536 1.00 0.00 ATOM 304 N THR A 88 16.073 57.374 58.363 1.00 0.00 ATOM 305 CA THR A 88 15.278 56.767 59.422 1.00 0.00 ATOM 306 CB THR A 88 13.838 56.483 58.955 1.00 0.00 ATOM 307 CG2 THR A 88 13.041 55.812 60.063 1.00 0.00 ATOM 308 OG1 THR A 88 13.196 57.714 58.601 1.00 0.00 ATOM 309 O THR A 88 16.006 55.209 61.094 1.00 0.00 ATOM 310 C THR A 88 15.866 55.441 59.891 1.00 0.00 ATOM 311 N LEU A 89 16.203 54.571 58.943 1.00 0.00 ATOM 312 CA LEU A 89 16.770 53.267 59.276 1.00 0.00 ATOM 313 CB LEU A 89 17.033 52.457 58.005 1.00 0.00 ATOM 314 CG LEU A 89 15.799 51.967 57.246 1.00 0.00 ATOM 315 CD1 LEU A 89 16.198 51.339 55.919 1.00 0.00 ATOM 316 CD2 LEU A 89 15.047 50.923 58.058 1.00 0.00 ATOM 317 O LEU A 89 18.328 52.715 61.013 1.00 0.00 ATOM 318 C LEU A 89 18.082 53.410 60.020 1.00 0.00 ATOM 319 N GLY A 90 18.921 54.318 59.529 1.00 0.00 ATOM 320 CA GLY A 90 20.210 54.576 60.144 1.00 0.00 ATOM 321 O GLY A 90 20.740 54.334 62.475 1.00 0.00 ATOM 322 C GLY A 90 20.009 54.855 61.634 1.00 0.00 ATOM 323 N ASN A 91 19.008 55.662 61.962 1.00 0.00 ATOM 324 CA ASN A 91 18.734 55.960 63.354 1.00 0.00 ATOM 325 CB ASN A 91 17.611 56.993 63.470 1.00 0.00 ATOM 326 CG ASN A 91 18.058 58.386 63.071 1.00 0.00 ATOM 327 ND2 ASN A 91 17.097 59.244 62.747 1.00 0.00 ATOM 328 OD1 ASN A 91 19.252 58.684 63.054 1.00 0.00 ATOM 329 O ASN A 91 18.754 54.420 65.179 1.00 0.00 ATOM 330 C ASN A 91 18.312 54.693 64.068 1.00 0.00 ATOM 331 N GLU A 92 17.460 53.901 63.439 1.00 0.00 ATOM 332 CA GLU A 92 17.031 52.699 64.123 1.00 0.00 ATOM 333 CB GLU A 92 16.029 51.923 63.265 1.00 0.00 ATOM 334 CG GLU A 92 15.489 50.665 63.927 1.00 0.00 ATOM 335 CD GLU A 92 14.476 49.942 63.062 1.00 0.00 ATOM 336 OE1 GLU A 92 14.186 50.432 61.951 1.00 0.00 ATOM 337 OE2 GLU A 92 13.971 48.885 63.496 1.00 0.00 ATOM 338 O GLU A 92 18.399 51.343 65.510 1.00 0.00 ATOM 339 C GLU A 92 18.229 51.818 64.396 1.00 0.00 ATOM 340 N LEU A 93 19.073 51.608 63.393 1.00 0.00 ATOM 341 CA LEU A 93 20.248 50.763 63.599 1.00 0.00 ATOM 342 CB LEU A 93 21.138 50.770 62.354 1.00 0.00 ATOM 343 CG LEU A 93 22.415 49.932 62.430 1.00 0.00 ATOM 344 CD1 LEU A 93 22.082 48.458 62.605 1.00 0.00 ATOM 345 CD2 LEU A 93 23.235 50.085 61.158 1.00 0.00 ATOM 346 O LEU A 93 21.465 50.490 65.662 1.00 0.00 ATOM 347 C LEU A 93 21.075 51.262 64.780 1.00 0.00 ATOM 348 N SER A 94 21.336 52.562 64.792 1.00 0.00 ATOM 349 CA SER A 94 22.126 53.156 65.855 1.00 0.00 ATOM 350 CB SER A 94 22.269 54.664 65.638 1.00 0.00 ATOM 351 OG SER A 94 23.038 54.942 64.481 1.00 0.00 ATOM 352 O SER A 94 22.104 52.477 68.158 1.00 0.00 ATOM 353 C SER A 94 21.464 52.927 67.208 1.00 0.00 ATOM 354 N ASP A 95 20.180 53.240 67.293 1.00 0.00 ATOM 355 CA ASP A 95 19.447 53.063 68.534 1.00 0.00 ATOM 356 CB ASP A 95 17.988 53.490 68.360 1.00 0.00 ATOM 357 CG ASP A 95 17.829 54.995 68.263 1.00 0.00 ATOM 358 OD1 ASP A 95 18.803 55.716 68.565 1.00 0.00 ATOM 359 OD2 ASP A 95 16.730 55.453 67.886 1.00 0.00 ATOM 360 O ASP A 95 19.630 51.285 70.137 1.00 0.00 ATOM 361 C ASP A 95 19.481 51.593 68.955 1.00 0.00 ATOM 362 N ILE A 96 19.357 50.690 67.985 1.00 0.00 ATOM 363 CA ILE A 96 19.384 49.264 68.263 1.00 0.00 ATOM 364 CB ILE A 96 19.018 48.439 67.015 1.00 0.00 ATOM 365 CG1 ILE A 96 17.552 48.661 66.640 1.00 0.00 ATOM 366 CG2 ILE A 96 19.229 46.955 67.277 1.00 0.00 ATOM 367 CD1 ILE A 96 17.177 48.102 65.285 1.00 0.00 ATOM 368 O ILE A 96 20.865 47.989 69.625 1.00 0.00 ATOM 369 C ILE A 96 20.756 48.812 68.717 1.00 0.00 ATOM 370 N LYS A 97 21.805 49.335 68.089 1.00 0.00 ATOM 371 CA LYS A 97 23.145 48.938 68.489 1.00 0.00 ATOM 372 CB LYS A 97 24.183 49.497 67.514 1.00 0.00 ATOM 373 CG LYS A 97 24.157 48.848 66.140 1.00 0.00 ATOM 374 CD LYS A 97 25.208 49.454 65.223 1.00 0.00 ATOM 375 CE LYS A 97 25.181 48.804 63.849 1.00 0.00 ATOM 376 NZ LYS A 97 26.187 49.407 62.931 1.00 0.00 ATOM 377 O LYS A 97 24.267 48.900 70.610 1.00 0.00 ATOM 378 C LYS A 97 23.445 49.475 69.894 1.00 0.00 ATOM 379 N LEU A 98 22.771 50.558 70.289 1.00 0.00 ATOM 380 CA LEU A 98 22.948 51.142 71.623 1.00 0.00 ATOM 381 CB LEU A 98 22.317 52.534 71.686 1.00 0.00 ATOM 382 CG LEU A 98 23.014 53.632 70.880 1.00 0.00 ATOM 383 CD1 LEU A 98 22.185 54.907 70.878 1.00 0.00 ATOM 384 CD2 LEU A 98 24.377 53.952 71.474 1.00 0.00 ATOM 385 O LEU A 98 22.881 49.943 73.709 1.00 0.00 ATOM 386 C LEU A 98 22.286 50.262 72.682 1.00 0.00 ATOM 387 N SER A 99 21.036 49.893 72.431 1.00 0.00 ATOM 388 CA SER A 99 20.280 49.056 73.355 1.00 0.00 ATOM 389 CB SER A 99 18.844 48.873 72.860 1.00 0.00 ATOM 390 OG SER A 99 18.811 48.143 71.646 1.00 0.00 ATOM 391 O SER A 99 20.806 47.028 74.505 1.00 0.00 ATOM 392 C SER A 99 20.920 47.690 73.479 1.00 0.00 ATOM 393 N LEU A 100 21.590 47.266 72.419 1.00 0.00 ATOM 394 CA LEU A 100 22.232 45.963 72.417 1.00 0.00 ATOM 395 CB LEU A 100 22.659 45.578 70.999 1.00 0.00 ATOM 396 CG LEU A 100 23.365 44.229 70.846 1.00 0.00 ATOM 397 CD1 LEU A 100 22.456 43.094 71.291 1.00 0.00 ATOM 398 CD2 LEU A 100 23.753 43.987 69.396 1.00 0.00 ATOM 399 O LEU A 100 23.639 45.107 74.148 1.00 0.00 ATOM 400 C LEU A 100 23.469 45.986 73.308 1.00 0.00 ATOM 401 N LEU A 101 24.325 46.990 73.138 1.00 0.00 ATOM 402 CA LEU A 101 25.522 47.091 73.964 1.00 0.00 ATOM 403 CB LEU A 101 26.325 48.340 73.593 1.00 0.00 ATOM 404 CG LEU A 101 27.605 48.585 74.394 1.00 0.00 ATOM 405 CD1 LEU A 101 28.590 47.443 74.196 1.00 0.00 ATOM 406 CD2 LEU A 101 28.278 49.875 73.952 1.00 0.00 ATOM 407 O LEU A 101 25.616 46.433 76.276 1.00 0.00 ATOM 408 C LEU A 101 25.104 47.178 75.439 1.00 0.00 ATOM 409 N SER A 102 24.174 48.076 75.755 1.00 0.00 ATOM 410 CA SER A 102 23.698 48.217 77.127 1.00 0.00 ATOM 411 CB SER A 102 22.436 49.080 77.170 1.00 0.00 ATOM 412 OG SER A 102 22.720 50.419 76.800 1.00 0.00 ATOM 413 O SER A 102 23.835 46.488 78.787 1.00 0.00 ATOM 414 C SER A 102 23.375 46.845 77.701 1.00 0.00 ATOM 415 N LEU A 103 22.578 46.078 76.961 1.00 0.00 ATOM 416 CA LEU A 103 22.178 44.749 77.398 1.00 0.00 ATOM 417 CB LEU A 103 21.226 44.115 76.382 1.00 0.00 ATOM 418 CG LEU A 103 19.832 44.736 76.279 1.00 0.00 ATOM 419 CD1 LEU A 103 19.059 44.134 75.116 1.00 0.00 ATOM 420 CD2 LEU A 103 19.039 44.490 77.554 1.00 0.00 ATOM 421 O LEU A 103 23.500 43.117 78.530 1.00 0.00 ATOM 422 C LEU A 103 23.379 43.846 77.547 1.00 0.00 ATOM 423 N LYS 104 24.267 43.891 76.565 1.00 0.00 ATOM 424 CA LYS 104 25.457 43.060 76.610 1.00 0.00 ATOM 425 C ALA 108 26.364 44.377 81.051 1.00 0.00 ATOM 426 N GLU A 109 24.962 44.377 81.032 1.00 0.00 ATOM 427 CA GLU A 109 24.259 43.801 82.180 1.00 0.00 ATOM 428 CB GLU A 109 22.745 43.884 81.978 1.00 0.00 ATOM 429 CG GLU A 109 21.932 43.360 83.151 1.00 0.00 ATOM 430 CD GLU A 109 20.439 43.516 82.941 1.00 0.00 ATOM 431 OE1 GLU A 109 20.040 44.056 81.888 1.00 0.00 ATOM 432 OE2 GLU A 109 19.667 43.099 83.830 1.00 0.00 ATOM 433 O GLU A 109 24.824 41.842 83.452 1.00 0.00 ATOM 434 C GLU A 109 24.657 42.338 82.339 1.00 0.00 ATOM 435 N LEU A 110 24.797 41.643 81.218 1.00 0.00 ATOM 436 CA LEU A 110 25.187 40.245 81.266 1.00 0.00 ATOM 437 CB LEU A 110 25.314 39.675 79.852 1.00 0.00 ATOM 438 CG LEU A 110 25.737 38.209 79.747 1.00 0.00 ATOM 439 CD1 LEU A 110 24.713 37.305 80.416 1.00 0.00 ATOM 440 CD2 LEU A 110 25.863 37.788 78.291 1.00 0.00 ATOM 441 O LEU A 110 26.631 39.276 82.912 1.00 0.00 ATOM 442 C LEU A 110 26.523 40.049 81.962 1.00 0.00 ATOM 443 N GLU A 111 27.539 40.758 81.483 1.00 0.00 ATOM 444 CA GLU A 111 28.875 40.641 82.036 1.00 0.00 ATOM 445 CB GLU A 111 29.863 41.492 81.236 1.00 0.00 ATOM 446 CG GLU A 111 30.163 40.954 79.846 1.00 0.00 ATOM 447 CD GLU A 111 31.069 41.871 79.049 1.00 0.00 ATOM 448 OE1 GLU A 111 31.406 42.961 79.557 1.00 0.00 ATOM 449 OE2 GLU A 111 31.443 41.500 77.917 1.00 0.00 ATOM 450 O GLU A 111 29.763 40.588 84.259 1.00 0.00 ATOM 451 C GLU A 111 28.951 41.100 83.483 1.00 0.00 ATOM 452 N HIS A 112 28.104 42.059 83.847 1.00 0.00 ATOM 453 CA HIS A 112 28.076 42.568 85.213 1.00 0.00 ATOM 454 CB HIS A 112 27.493 43.982 85.246 1.00 0.00 ATOM 455 CG HIS A 112 28.351 45.005 84.569 1.00 0.00 ATOM 456 CD2 HIS A 112 28.272 45.774 83.335 1.00 0.00 ATOM 457 ND1 HIS A 112 29.543 45.447 85.100 1.00 0.00 ATOM 458 CE1 HIS A 112 30.081 46.358 84.271 1.00 0.00 ATOM 459 NE2 HIS A 112 29.324 46.559 83.209 1.00 0.00 ATOM 460 O HIS A 112 26.522 42.127 86.988 1.00 0.00 ATOM 461 C HIS A 112 27.216 41.664 86.085 1.00 0.00 ATOM 462 N HIS A 113 27.254 40.370 85.802 1.00 0.00 ATOM 463 CA HIS A 113 26.482 39.421 86.579 1.00 0.00 ATOM 464 CB HIS A 113 26.001 38.269 85.694 1.00 0.00 ATOM 465 CG HIS A 113 25.013 37.365 86.363 1.00 0.00 ATOM 466 CD2 HIS A 113 23.567 37.202 86.329 1.00 0.00 ATOM 467 ND1 HIS A 113 25.386 36.389 87.261 1.00 0.00 ATOM 468 CE1 HIS A 113 24.286 35.745 87.690 1.00 0.00 ATOM 469 NE2 HIS A 113 23.191 36.227 87.134 1.00 0.00 ATOM 470 O HIS A 113 28.420 38.329 87.471 1.00 0.00 ATOM 471 C HIS A 113 27.322 38.843 87.702 1.00 0.00 ATOM 472 N HIS A 114 26.811 38.925 88.940 1.00 0.00 ATOM 473 CA HIS A 114 27.488 38.418 90.134 1.00 0.00 ATOM 474 CB HIS A 114 26.584 38.553 91.361 1.00 0.00 ATOM 475 CG HIS A 114 27.217 38.083 92.633 1.00 0.00 ATOM 476 CD2 HIS A 114 27.026 36.955 93.533 1.00 0.00 ATOM 477 ND1 HIS A 114 28.249 38.760 93.245 1.00 0.00 ATOM 478 CE1 HIS A 114 28.605 38.100 94.362 1.00 0.00 ATOM 479 NE2 HIS A 114 27.876 37.016 94.540 1.00 0.00 ATOM 480 O HIS A 114 27.018 36.072 90.110 1.00 0.00 ATOM 481 C HIS A 114 27.872 36.948 90.017 1.00 0.00 ATOM 482 N HIS 115 29.160 36.694 89.806 1.00 0.00 ATOM 483 CA HIS 115 29.695 35.333 89.688 1.00 0.00 ENDMDL