EXPDTA CaspIta-FOX_TS2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called CaspIta-FOX_TS2-scwrl ATOM 1 N MET A 1 47.954 9.204-144.259 1.00 0.00 ATOM 2 CA MET A 1 47.811 10.153-145.369 1.00 0.00 ATOM 3 CB MET A 1 47.107 9.489-146.554 1.00 0.00 ATOM 4 CG MET A 1 47.928 8.406-147.236 1.00 0.00 ATOM 5 SD MET A 1 47.038 7.604-148.584 1.00 0.00 ATOM 6 CE MET A 1 47.043 8.905-149.814 1.00 0.00 ATOM 7 O MET A 1 46.409 11.375-143.872 1.00 0.00 ATOM 8 C MET A 1 46.990 11.374-144.960 1.00 0.00 ATOM 9 N ASP A 2 46.933 12.385-145.826 1.00 0.00 ATOM 10 CA ASP A 2 46.197 13.545-145.678 1.00 0.00 ATOM 11 CB ASP A 2 45.925 14.184-147.041 1.00 0.00 ATOM 12 CG ASP A 2 47.167 14.801-147.654 1.00 0.00 ATOM 13 OD1 ASP A 2 48.187 14.914-146.942 1.00 0.00 ATOM 14 OD2 ASP A 2 47.120 15.171-148.846 1.00 0.00 ATOM 15 O ASP A 2 44.198 12.405-145.014 1.00 0.00 ATOM 16 C ASP A 2 44.825 13.464-145.030 1.00 0.00 ATOM 17 N ALA A 3 44.473 14.309-144.628 1.00 0.00 ATOM 18 CA ALA A 3 43.130 14.352-144.028 1.00 0.00 ATOM 19 CB ALA A 3 42.999 15.556-143.107 1.00 0.00 ATOM 20 O ALA A 3 40.920 13.937-144.854 1.00 0.00 ATOM 21 C ALA A 3 42.018 14.455-145.060 1.00 0.00 ATOM 22 N LYS A 4 42.298 15.112-146.151 1.00 0.00 ATOM 23 CA LYS A 4 41.564 15.372-147.355 1.00 0.00 ATOM 24 CB LYS A 4 42.431 16.138-148.356 1.00 0.00 ATOM 25 CG LYS A 4 42.719 17.576-147.956 1.00 0.00 ATOM 26 CD LYS A 4 43.589 18.273-148.989 1.00 0.00 ATOM 27 CE LYS A 4 43.881 19.709-148.586 1.00 0.00 ATOM 28 NZ LYS A 4 44.758 20.396-149.574 1.00 0.00 ATOM 29 O LYS A 4 40.035 14.110-148.699 1.00 0.00 ATOM 30 C LYS A 4 41.087 14.112-148.059 1.00 0.00 ATOM 31 N PHE A 5 41.860 13.042-147.941 1.00 0.00 ATOM 32 CA PHE A 5 41.546 11.812-148.662 1.00 0.00 ATOM 33 CB PHE A 5 42.749 10.866-148.658 1.00 0.00 ATOM 34 CG PHE A 5 43.869 11.307-149.556 1.00 0.00 ATOM 35 CD1 PHE A 5 44.992 11.925-149.033 1.00 0.00 ATOM 36 CD2 PHE A 5 43.801 11.103-150.923 1.00 0.00 ATOM 37 CE1 PHE A 5 46.023 12.330-149.860 1.00 0.00 ATOM 38 CE2 PHE A 5 44.832 11.508-151.749 1.00 0.00 ATOM 39 CZ PHE A 5 45.939 12.119-151.223 1.00 0.00 ATOM 40 O PHE A 5 39.801 10.169-148.771 1.00 0.00 ATOM 41 C PHE A 5 40.367 11.017-148.077 1.00 0.00 ATOM 42 N LEU A 6 39.981 11.314-146.831 1.00 0.00 ATOM 43 CA LEU A 6 39.011 10.493-146.090 1.00 0.00 ATOM 44 CB LEU A 6 38.650 11.159-144.761 1.00 0.00 ATOM 45 CG LEU A 6 37.638 10.419-143.884 1.00 0.00 ATOM 46 CD1 LEU A 6 38.188 9.068-143.452 1.00 0.00 ATOM 47 CD2 LEU A 6 37.319 11.224-142.634 1.00 0.00 ATOM 48 O LEU A 6 37.227 9.086-146.871 1.00 0.00 ATOM 49 C LEU A 6 37.671 10.233-146.800 1.00 0.00 ATOM 50 N GLU A 7 37.035 11.278-147.330 1.00 0.00 ATOM 51 CA GLU A 7 35.751 11.119-148.034 1.00 0.00 ATOM 52 CB GLU A 7 35.224 12.477-148.501 1.00 0.00 ATOM 53 CG GLU A 7 34.737 13.375-147.375 1.00 0.00 ATOM 54 CD GLU A 7 34.311 14.745-147.865 1.00 0.00 ATOM 55 OE1 GLU A 7 34.463 15.017-149.075 1.00 0.00 ATOM 56 OE2 GLU A 7 33.825 15.546-147.039 1.00 0.00 ATOM 57 O GLU A 7 34.901 9.556-149.657 1.00 0.00 ATOM 58 C GLU A 7 35.861 10.224-149.273 1.00 0.00 ATOM 59 N ILE A 8 37.043 10.219-149.884 1.00 0.00 ATOM 60 CA ILE A 8 37.283 9.443-151.092 1.00 0.00 ATOM 61 CB ILE A 8 38.546 9.924-151.831 1.00 0.00 ATOM 62 CG1 ILE A 8 38.342 11.343-152.366 1.00 0.00 ATOM 63 CG2 ILE A 8 38.860 9.007-153.002 1.00 0.00 ATOM 64 CD1 ILE A 8 39.607 11.986-152.890 1.00 0.00 ATOM 65 O ILE A 8 36.888 7.112-151.498 1.00 0.00 ATOM 66 C ILE A 8 37.481 7.955-150.810 1.00 0.00 ATOM 67 N LEU A 9 38.280 7.632-149.792 1.00 0.00 ATOM 68 CA LEU A 9 38.532 6.232-149.448 1.00 0.00 ATOM 69 CB LEU A 9 39.624 6.131-148.381 1.00 0.00 ATOM 70 CG LEU A 9 41.035 6.535-148.814 1.00 0.00 ATOM 71 CD1 LEU A 9 41.983 6.535-147.625 1.00 0.00 ATOM 72 CD2 LEU A 9 41.576 5.566-149.855 1.00 0.00 ATOM 73 O LEU A 9 37.033 4.377-149.142 1.00 0.00 ATOM 74 C LEU A 9 37.267 5.572-148.903 1.00 0.00 ATOM 75 N VAL A 10 36.448 6.357-148.196 1.00 0.00 ATOM 76 CA VAL A 10 35.272 5.945-147.643 1.00 0.00 ATOM 77 CB VAL A 10 34.217 5.639-148.723 1.00 0.00 ATOM 78 CG1 VAL A 10 33.900 6.891-149.527 1.00 0.00 ATOM 79 CG2 VAL A 10 34.726 4.570-149.677 1.00 0.00 ATOM 80 O VAL A 10 36.390 3.975-146.865 1.00 0.00 ATOM 81 C VAL A 10 35.385 4.683-146.803 1.00 0.00 ATOM 82 N CYS A 11 34.608 4.472-146.211 1.00 0.00 ATOM 83 CA CYS A 11 34.674 3.391-145.401 1.00 0.00 ATOM 84 CB CYS A 11 34.510 3.807-143.938 1.00 0.00 ATOM 85 SG CYS A 11 34.633 2.445-142.756 1.00 0.00 ATOM 86 O CYS A 11 32.387 2.785-145.773 1.00 0.00 ATOM 87 C CYS A 11 33.563 2.421-145.769 1.00 0.00 ATOM 88 N PRO A 12 33.950 1.143-146.089 1.00 0.00 ATOM 89 CA PRO A 12 33.069 0.271-146.366 1.00 0.00 ATOM 90 CB PRO A 12 33.870 -0.888-146.963 1.00 0.00 ATOM 91 CG PRO A 12 35.225 -0.759-146.352 1.00 0.00 ATOM 92 CD PRO A 12 35.475 0.715-146.200 1.00 0.00 ATOM 93 O PRO A 12 32.794 -0.279-144.051 1.00 0.00 ATOM 94 C PRO A 12 32.272 -0.208-145.163 1.00 0.00 ATOM 95 N LEU A 13 31.317 -0.454-145.332 1.00 0.00 ATOM 96 CA LEU A 13 30.480 -0.943-144.549 1.00 0.00 ATOM 97 CB LEU A 13 29.059 -0.600-145.001 1.00 0.00 ATOM 98 CG LEU A 13 28.694 0.886-145.020 1.00 0.00 ATOM 99 CD1 LEU A 13 27.293 1.088-145.577 1.00 0.00 ATOM 100 CD2 LEU A 13 28.736 1.468-143.615 1.00 0.00 ATOM 101 O LEU A 13 30.593 -3.201-145.340 1.00 0.00 ATOM 102 C LEU A 13 30.467 -2.453-144.371 1.00 0.00 ATOM 103 N CYS A 14 30.319 -2.885-143.168 1.00 0.00 ATOM 104 CA CYS A 14 30.323 -4.231-142.776 1.00 0.00 ATOM 105 CB CYS A 14 30.233 -4.346-141.253 1.00 0.00 ATOM 106 SG CYS A 14 31.696 -3.753-140.372 1.00 0.00 ATOM 107 O CYS A 14 29.205 -6.151-143.671 1.00 0.00 ATOM 108 C CYS A 14 29.135 -4.955-143.390 1.00 0.00 ATOM 109 N LYS A 15 28.313 -4.408-143.545 1.00 0.00 ATOM 110 CA LYS A 15 27.049 -5.016-144.116 1.00 0.00 ATOM 111 CB LYS A 15 25.924 -3.980-144.150 1.00 0.00 ATOM 112 CG LYS A 15 25.387 -3.601-142.779 1.00 0.00 ATOM 113 CD LYS A 15 24.273 -2.572-142.887 1.00 0.00 ATOM 114 CE LYS A 15 23.753 -2.176-141.515 1.00 0.00 ATOM 115 NZ LYS A 15 22.684 -1.143-141.604 1.00 0.00 ATOM 116 O LYS A 15 26.824 -6.587-145.910 1.00 0.00 ATOM 117 C LYS A 15 27.289 -5.511-145.533 1.00 0.00 ATOM 118 N GLY A 16 27.999 -4.743-146.300 1.00 0.00 ATOM 119 CA GLY A 16 28.364 -4.975-147.426 1.00 0.00 ATOM 120 O GLY A 16 30.054 -6.529-146.744 1.00 0.00 ATOM 121 C GLY A 16 29.307 -6.146-147.645 1.00 0.00 ATOM 122 N PRO A 17 29.282 -6.576-148.548 1.00 0.00 ATOM 123 CA PRO A 17 30.235 -7.817-148.793 1.00 0.00 ATOM 124 CB PRO A 17 29.276 -9.005-148.900 1.00 0.00 ATOM 125 CG PRO A 17 28.006 -8.414-149.415 1.00 0.00 ATOM 126 CD PRO A 17 27.908 -7.043-148.807 1.00 0.00 ATOM 127 O PRO A 17 30.577 -6.808-150.938 1.00 0.00 ATOM 128 C PRO A 17 31.011 -7.573-150.077 1.00 0.00 ATOM 129 N LEU A 18 32.164 -8.227-150.205 1.00 0.00 ATOM 130 CA LEU A 18 32.939 -8.218-151.445 1.00 0.00 ATOM 131 CB LEU A 18 34.014 -7.131-151.397 1.00 0.00 ATOM 132 CG LEU A 18 34.947 -7.046-152.606 1.00 0.00 ATOM 133 CD1 LEU A 18 34.188 -6.583-153.840 1.00 0.00 ATOM 134 CD2 LEU A 18 36.077 -6.061-152.346 1.00 0.00 ATOM 135 O LEU A 18 34.161 -10.148-150.686 1.00 0.00 ATOM 136 C LEU A 18 33.616 -9.573-151.638 1.00 0.00 ATOM 137 N VAL A 19 33.560 -10.088-152.867 1.00 0.00 ATOM 138 CA VAL A 19 34.391 -11.224-153.262 1.00 0.00 ATOM 139 CB VAL A 19 33.552 -12.334-153.922 1.00 0.00 ATOM 140 CG1 VAL A 19 34.445 -13.482-154.368 1.00 0.00 ATOM 141 CG2 VAL A 19 32.523 -12.878-152.943 1.00 0.00 ATOM 142 O VAL A 19 35.151 -10.055-155.233 1.00 0.00 ATOM 143 C VAL A 19 35.454 -10.762-154.265 1.00 0.00 ATOM 144 N PHE A 20 36.703 -11.146-154.013 1.00 0.00 ATOM 145 CA PHE A 20 37.821 -10.673-154.825 1.00 0.00 ATOM 146 CB PHE A 20 38.565 -9.545-154.108 1.00 0.00 ATOM 147 CG PHE A 20 39.213 -9.969-152.821 1.00 0.00 ATOM 148 CD1 PHE A 20 40.519 -10.427-152.805 1.00 0.00 ATOM 149 CD2 PHE A 20 38.518 -9.909-151.626 1.00 0.00 ATOM 150 CE1 PHE A 20 41.116 -10.817-151.621 1.00 0.00 ATOM 151 CE2 PHE A 20 39.115 -10.299-150.442 1.00 0.00 ATOM 152 CZ PHE A 20 40.408 -10.752-150.436 1.00 0.00 ATOM 153 O PHE A 20 38.974 -12.729-154.349 1.00 0.00 ATOM 154 C PHE A 20 38.839 -11.774-155.120 1.00 0.00 ATOM 155 N ASP A 21 39.542 -11.626-156.245 1.00 0.00 ATOM 156 CA ASP A 21 40.647 -12.515-156.621 1.00 0.00 ATOM 157 CB ASP A 21 40.516 -12.943-158.084 1.00 0.00 ATOM 158 CG ASP A 21 39.283 -13.789-158.335 1.00 0.00 ATOM 159 OD1 ASP A 21 39.104 -14.803-157.628 1.00 0.00 ATOM 160 OD2 ASP A 21 38.496 -13.437-159.239 1.00 0.00 ATOM 161 O ASP A 21 42.188 -10.695-156.974 1.00 0.00 ATOM 162 C ASP A 21 41.986 -11.789-156.438 1.00 0.00 ATOM 163 N LYS A 22 42.885 -12.398-155.665 1.00 0.00 ATOM 164 CA LYS A 22 44.207 -11.828-155.393 1.00 0.00 ATOM 165 CB LYS A 22 44.579 -12.016-153.921 1.00 0.00 ATOM 166 CG LYS A 22 45.923 -11.418-153.539 1.00 0.00 ATOM 167 CD LYS A 22 46.193 -11.570-152.051 1.00 0.00 ATOM 168 CE LYS A 22 47.504 -10.910-151.657 1.00 0.00 ATOM 169 NZ LYS A 22 47.770 -11.032-150.197 1.00 0.00 ATOM 170 O LYS A 22 46.147 -11.825-156.809 1.00 0.00 ATOM 171 C LYS A 22 45.284 -12.504-156.247 1.00 0.00 ATOM 172 N SER A 23 45.221 -13.834-156.342 1.00 0.00 ATOM 173 CA SER A 23 46.183 -14.709-157.146 1.00 0.00 ATOM 174 CB SER A 23 45.409 -15.611-158.109 1.00 0.00 ATOM 175 OG SER A 23 44.725 -14.847-159.086 1.00 0.00 ATOM 176 O SER A 23 48.347 -14.157-158.011 1.00 0.00 ATOM 177 C SER A 23 47.150 -13.873-157.969 1.00 0.00 ATOM 178 N LYS A 24 46.758 -13.097-158.462 1.00 0.00 ATOM 179 CA LYS A 24 47.583 -12.071-159.254 1.00 0.00 ATOM 180 CB LYS A 24 46.704 -10.896-159.687 1.00 0.00 ATOM 181 CG LYS A 24 47.431 -9.849-160.515 1.00 0.00 ATOM 182 CD LYS A 24 46.486 -8.746-160.963 1.00 0.00 ATOM 183 CE LYS A 24 47.223 -7.673-161.749 1.00 0.00 ATOM 184 NZ LYS A 24 46.306 -6.597-162.214 1.00 0.00 ATOM 185 O LYS A 24 49.883 -11.431-159.053 1.00 0.00 ATOM 186 C LYS A 24 48.764 -11.434-158.540 1.00 0.00 ATOM 187 N ASP A 25 48.514 -10.894-157.353 1.00 0.00 ATOM 188 CA ASP A 25 49.502 -10.300-156.446 1.00 0.00 ATOM 189 CB ASP A 25 48.822 -9.783-155.177 1.00 0.00 ATOM 190 CG ASP A 25 48.017 -8.522-155.420 1.00 0.00 ATOM 191 OD1 ASP A 25 48.140 -7.941-156.518 1.00 0.00 ATOM 192 OD2 ASP A 25 47.263 -8.114-154.511 1.00 0.00 ATOM 193 O ASP A 25 50.338 -12.353-155.539 1.00 0.00 ATOM 194 C ASP A 25 50.605 -11.232-155.970 1.00 0.00 ATOM 195 N GLU A 26 51.539 -10.881-156.029 1.00 0.00 ATOM 196 CA GLU A 26 52.634 -11.669-155.624 1.00 0.00 ATOM 197 CB GLU A 26 53.417 -12.165-156.842 1.00 0.00 ATOM 198 CG GLU A 26 52.643 -13.130-157.725 1.00 0.00 ATOM 199 CD GLU A 26 53.423 -13.543-158.958 1.00 0.00 ATOM 200 OE1 GLU A 26 54.539 -13.019-159.159 1.00 0.00 ATOM 201 OE2 GLU A 26 52.918 -14.390-159.724 1.00 0.00 ATOM 202 O GLU A 26 54.266 -11.355-153.900 1.00 0.00 ATOM 203 C GLU A 26 53.548 -10.827-154.749 1.00 0.00 ATOM 204 N LEU A 27 53.520 -9.527-154.955 1.00 0.00 ATOM 205 CA LEU A 27 54.287 -8.589-154.284 1.00 0.00 ATOM 206 CB LEU A 27 54.956 -7.635-155.276 1.00 0.00 ATOM 207 CG LEU A 27 55.902 -8.272-156.296 1.00 0.00 ATOM 208 CD1 LEU A 27 56.427 -7.226-157.268 1.00 0.00 ATOM 209 CD2 LEU A 27 57.093 -8.912-155.598 1.00 0.00 ATOM 210 O LEU A 27 52.388 -7.223-153.770 1.00 0.00 ATOM 211 C LEU A 27 53.398 -7.786-153.348 1.00 0.00 ATOM 212 N ILE A 28 53.682 -7.747-152.390 1.00 0.00 ATOM 213 CA ILE A 28 52.862 -6.968-151.441 1.00 0.00 ATOM 214 CB ILE A 28 52.168 -7.881-150.413 1.00 0.00 ATOM 215 CG1 ILE A 28 53.207 -8.667-149.611 1.00 0.00 ATOM 216 CG2 ILE A 28 51.251 -8.871-151.114 1.00 0.00 ATOM 217 CD1 ILE A 28 52.618 -9.472-148.473 1.00 0.00 ATOM 218 O ILE A 28 54.891 -6.289-150.365 1.00 0.00 ATOM 219 C ILE A 28 53.742 -5.984-150.687 1.00 0.00 ATOM 220 N CYS A 29 53.209 -4.816-150.410 1.00 0.00 ATOM 221 CA CYS A 29 53.919 -3.869-149.578 1.00 0.00 ATOM 222 CB CYS A 29 53.263 -2.489-149.658 1.00 0.00 ATOM 223 SG CYS A 29 53.476 -1.652-151.246 1.00 0.00 ATOM 224 O CYS A 29 55.099 -3.991-147.497 1.00 0.00 ATOM 225 C CYS A 29 54.027 -4.136-148.085 1.00 0.00 ATOM 226 N LYS A 30 53.190 -4.430-147.624 1.00 0.00 ATOM 227 CA LYS A 30 53.200 -4.678-145.960 1.00 0.00 ATOM 228 CB LYS A 30 52.218 -3.729-145.271 1.00 0.00 ATOM 229 CG LYS A 30 52.570 -2.257-145.418 1.00 0.00 ATOM 230 CD LYS A 30 51.550 -1.373-144.720 1.00 0.00 ATOM 231 CE LYS A 30 51.914 0.097-144.848 1.00 0.00 ATOM 232 NZ LYS A 30 50.913 0.977-144.185 1.00 0.00 ATOM 233 O LYS A 30 53.202 -6.948-145.195 1.00 0.00 ATOM 234 C LYS A 30 52.770 -6.135-146.012 1.00 0.00 ATOM 235 N GLY A 31 51.879 -6.479-147.018 1.00 0.00 ATOM 236 CA GLY A 31 51.510 -7.801-147.188 1.00 0.00 ATOM 237 O GLY A 31 50.408 -9.188-145.577 1.00 0.00 ATOM 238 C GLY A 31 50.528 -8.062-146.058 1.00 0.00 ATOM 239 N ASP A 32 49.999 -7.276-145.738 1.00 0.00 ATOM 240 CA ASP A 32 49.099 -7.216-144.726 1.00 0.00 ATOM 241 CB ASP A 32 48.775 -5.761-144.383 1.00 0.00 ATOM 242 CG ASP A 32 48.033 -5.050-145.498 1.00 0.00 ATOM 243 OD1 ASP A 32 47.499 -5.742-146.390 1.00 0.00 ATOM 244 OD2 ASP A 32 47.985 -3.802-145.479 1.00 0.00 ATOM 245 O ASP A 32 47.562 -8.337-146.182 1.00 0.00 ATOM 246 C ASP A 32 47.780 -7.899-145.053 1.00 0.00 ATOM 247 N ARG A 33 46.907 -7.988-144.069 1.00 0.00 ATOM 248 CA ARG A 33 45.869 -8.355-143.896 1.00 0.00 ATOM 249 CB ARG A 33 45.816 -9.245-142.653 1.00 0.00 ATOM 250 CG ARG A 33 44.445 -9.839-142.373 1.00 0.00 ATOM 251 CD ARG A 33 44.477 -10.754-141.160 1.00 0.00 ATOM 252 NE ARG A 33 43.163 -11.326-140.871 1.00 0.00 ATOM 253 CZ ARG A 33 42.895 -12.085-139.814 1.00 0.00 ATOM 254 NH1 ARG A 33 41.671 -12.562-139.633 1.00 0.00 ATOM 255 NH2 ARG A 33 43.852 -12.366-138.940 1.00 0.00 ATOM 256 O ARG A 33 44.570 -6.693-142.759 1.00 0.00 ATOM 257 C ARG A 33 44.606 -7.545-143.647 1.00 0.00 ATOM 258 N LEU A 34 43.825 -7.747-144.238 1.00 0.00 ATOM 259 CA LEU A 34 37.311 -6.183-128.420 1.00 0.00 ATOM 260 CB LEU A 34 36.591 -4.842-128.267 1.00 0.00 ATOM 261 CG LEU A 34 37.462 -3.589-128.371 1.00 0.00 ATOM 262 CD1 LEU A 34 36.600 -2.337-128.426 1.00 0.00 ATOM 263 CD2 LEU A 34 38.387 -3.476-127.169 1.00 0.00 ATOM 264 O LEU A 34 35.383 -7.355-127.616 1.00 0.00 ATOM 265 C LEU A 34 36.383 -6.697-127.331 1.00 0.00 ATOM 266 N ALA A 35 36.634 -6.469-126.390 1.00 0.00 ATOM 267 CA ALA A 35 31.699 -4.857-108.930 1.00 0.00 ATOM 268 CB ALA A 35 31.282 -3.426-108.627 1.00 0.00 ATOM 269 O ALA A 35 29.641 -6.065-108.729 1.00 0.00 ATOM 270 C ALA A 35 30.598 -5.554-108.147 1.00 0.00 ATOM 271 N PHE A 36 30.736 -5.574-106.809 1.00 0.00 ATOM 272 CA PHE A 36 19.637 -4.011 -73.708 1.00 0.00 ATOM 273 CB PHE A 36 18.283 -4.708 -73.564 1.00 0.00 ATOM 274 CG PHE A 36 17.721 -4.659 -72.171 1.00 0.00 ATOM 275 CD1 PHE A 36 17.113 -3.511 -71.694 1.00 0.00 ATOM 276 CD2 PHE A 36 17.802 -5.762 -71.338 1.00 0.00 ATOM 277 CE1 PHE A 36 16.597 -3.467 -70.413 1.00 0.00 ATOM 278 CE2 PHE A 36 17.285 -5.717 -70.057 1.00 0.00 ATOM 279 CZ PHE A 36 16.685 -4.576 -69.593 1.00 0.00 ATOM 280 O PHE A 36 21.232 -3.934 -71.923 1.00 0.00 ATOM 281 C PHE A 36 20.448 -4.621 -72.576 1.00 0.00 ATOM 282 N PRO A 37 40.753 -10.217-144.978 1.00 0.00 ATOM 283 CA PRO A 37 32.148 -10.273-111.705 1.00 0.00 ATOM 284 CB PRO A 37 32.603 -11.646-111.207 1.00 0.00 ATOM 285 CG PRO A 37 32.610 -12.503-112.429 1.00 0.00 ATOM 286 CD PRO A 37 33.063 -11.618-113.556 1.00 0.00 ATOM 287 O PRO A 37 33.290 -9.652-109.693 1.00 0.00 ATOM 288 C PRO A 37 32.214 -9.731-110.286 1.00 0.00 ATOM 289 N ILE A 38 31.347 -9.449-109.877 1.00 0.00 ATOM 290 CA ILE A 38 20.377 -6.765 -74.879 1.00 0.00 ATOM 291 CB ILE A 38 18.948 -6.201 -74.777 1.00 0.00 ATOM 292 CG1 ILE A 38 18.887 -4.792 -75.370 1.00 0.00 ATOM 293 CG2 ILE A 38 18.505 -6.132 -73.324 1.00 0.00 ATOM 294 CD1 ILE A 38 17.483 -4.244 -75.501 1.00 0.00 ATOM 295 O ILE A 38 20.737 -9.122 -74.644 1.00 0.00 ATOM 296 C ILE A 38 20.748 -8.146 -75.394 1.00 0.00 ATOM 297 N LYS A 39 38.453 -12.432-144.803 1.00 0.00 ATOM 298 CA LYS A 39 38.512 -13.839-144.414 1.00 0.00 ATOM 299 CB LYS A 39 37.139 -14.323-143.943 1.00 0.00 ATOM 300 CG LYS A 39 36.659 -13.672-142.656 1.00 0.00 ATOM 301 CD LYS A 39 35.304 -14.216-142.234 1.00 0.00 ATOM 302 CE LYS A 39 34.814 -13.549-140.959 1.00 0.00 ATOM 303 NZ LYS A 39 33.494 -14.084-140.525 1.00 0.00 ATOM 304 O LYS A 39 38.719 -14.357-146.759 1.00 0.00 ATOM 305 C LYS A 39 38.948 -14.705-145.590 1.00 0.00 ATOM 306 N ASP A 40 39.580 -15.831-145.268 1.00 0.00 ATOM 307 CA ASP A 40 39.929 -16.829-146.273 1.00 0.00 ATOM 308 CB ASP A 40 40.970 -17.804-145.721 1.00 0.00 ATOM 309 CG ASP A 40 42.339 -17.171-145.569 1.00 0.00 ATOM 310 OD1 ASP A 40 42.542 -16.061-146.104 1.00 0.00 ATOM 311 OD2 ASP A 40 43.209 -17.785-144.917 1.00 0.00 ATOM 312 O ASP A 40 37.792 -17.855-145.855 1.00 0.00 ATOM 313 C ASP A 40 38.680 -17.618-146.677 1.00 0.00 ATOM 314 N GLY A 41 38.611 -18.013-147.945 1.00 0.00 ATOM 315 CA GLY A 41 37.486 -18.804-148.432 1.00 0.00 ATOM 316 O GLY A 41 36.555 -20.985-148.017 1.00 0.00 ATOM 317 C GLY A 41 37.581 -20.296-148.046 1.00 0.00 ATOM 318 N ILE A 42 38.785 -20.788-147.726 1.00 0.00 ATOM 319 CA ILE A 42 38.976 -22.237-147.519 1.00 0.00 ATOM 320 CB ILE A 42 40.414 -22.671-147.860 1.00 0.00 ATOM 321 CG1 ILE A 42 40.693 -22.468-149.350 1.00 0.00 ATOM 322 CG2 ILE A 42 40.619 -24.141-147.527 1.00 0.00 ATOM 323 CD1 ILE A 42 42.149 -22.632-149.727 1.00 0.00 ATOM 324 O ILE A 42 38.237 -23.971-146.022 1.00 0.00 ATOM 325 C ILE A 42 38.759 -22.853-146.120 1.00 0.00 ATOM 326 N PRO A 43 39.167 -22.163-145.054 1.00 0.00 ATOM 327 CA PRO A 43 38.970 -22.686-143.689 1.00 0.00 ATOM 328 CB PRO A 43 39.499 -21.571-142.785 1.00 0.00 ATOM 329 CG PRO A 43 39.391 -20.335-143.614 1.00 0.00 ATOM 330 CD PRO A 43 39.676 -20.756-145.029 1.00 0.00 ATOM 331 O PRO A 43 37.163 -23.721-142.432 1.00 0.00 ATOM 332 C PRO A 43 37.486 -22.986-143.382 1.00 0.00 ATOM 333 N MET A 44 36.603 -22.431-144.215 1.00 0.00 ATOM 334 CA MET A 44 35.154 -22.608-144.092 1.00 0.00 ATOM 335 CB MET A 44 34.413 -21.506-144.852 1.00 0.00 ATOM 336 CG MET A 44 34.584 -20.118-144.255 1.00 0.00 ATOM 337 SD MET A 44 33.986 -20.013-142.557 1.00 0.00 ATOM 338 CE MET A 44 32.220 -20.178-142.809 1.00 0.00 ATOM 339 O MET A 44 33.469 -24.329-144.414 1.00 0.00 ATOM 340 C MET A 44 34.628 -23.961-144.652 1.00 0.00 ATOM 341 N MET A 45 35.502 -24.691-145.359 1.00 0.00 ATOM 342 CA MET A 45 35.154 -25.909-146.107 1.00 0.00 ATOM 343 CB MET A 45 35.997 -26.016-147.379 1.00 0.00 ATOM 344 CG MET A 45 35.727 -24.920-148.397 1.00 0.00 ATOM 345 SD MET A 45 34.010 -24.890-148.947 1.00 0.00 ATOM 346 CE MET A 45 33.912 -26.440-149.839 1.00 0.00 ATOM 347 O MET A 45 36.383 -27.913-145.495 1.00 0.00 ATOM 348 C MET A 45 35.386 -27.200-145.303 1.00 0.00 ATOM 349 N LEU A 46 34.451 -27.494-144.408 1.00 0.00 ATOM 350 CA LEU A 46 34.552 -28.654-143.535 1.00 0.00 ATOM 351 CB LEU A 46 34.136 -28.289-142.109 1.00 0.00 ATOM 352 CG LEU A 46 34.946 -27.184-141.428 1.00 0.00 ATOM 353 CD1 LEU A 46 34.378 -26.870-140.053 1.00 0.00 ATOM 354 CD2 LEU A 46 36.397 -27.607-141.258 1.00 0.00 ATOM 355 O LEU A 46 32.598 -29.601-144.561 1.00 0.00 ATOM 356 C LEU A 46 33.659 -29.817-143.984 1.00 0.00 ATOM 357 N GLU A 47 34.084 -31.048-143.729 1.00 0.00 ATOM 358 CA GLU A 47 33.230 -32.201-144.038 1.00 0.00 ATOM 359 CB GLU A 47 34.084 -33.424-144.379 1.00 0.00 ATOM 360 CG GLU A 47 34.911 -33.270-145.644 1.00 0.00 ATOM 361 CD GLU A 47 35.740 -34.502-145.952 1.00 0.00 ATOM 362 OE1 GLU A 47 35.772 -35.423-145.109 1.00 0.00 ATOM 363 OE2 GLU A 47 36.357 -34.547-147.037 1.00 0.00 ATOM 364 O GLU A 47 32.510 -32.144-141.733 1.00 0.00 ATOM 365 C GLU A 47 32.316 -32.596-142.867 1.00 0.00 ATOM 366 N SER A 48 31.323 -33.436-143.157 1.00 0.00 ATOM 367 CA SER A 48 30.254 -33.758-142.210 1.00 0.00 ATOM 368 CB SER A 48 29.349 -34.855-142.776 1.00 0.00 ATOM 369 OG SER A 48 30.063 -36.067-142.946 1.00 0.00 ATOM 370 O SER A 48 30.103 -34.038-139.836 1.00 0.00 ATOM 371 C SER A 48 30.751 -34.261-140.853 1.00 0.00 ATOM 372 N GLU A 49 31.916 -34.895-140.828 1.00 0.00 ATOM 373 CA GLU A 49 32.469 -35.388-139.565 1.00 0.00 ATOM 374 CB GLU A 49 33.270 -36.671-139.795 1.00 0.00 ATOM 375 CG GLU A 49 32.440 -37.838-140.303 1.00 0.00 ATOM 376 CD GLU A 49 33.262 -39.097-140.499 1.00 0.00 ATOM 377 OE1 GLU A 49 34.483 -39.055-140.240 1.00 0.00 ATOM 378 OE2 GLU A 49 32.685 -40.125-140.910 1.00 0.00 ATOM 379 O GLU A 49 34.141 -34.790-137.959 1.00 0.00 ATOM 380 C GLU A 49 33.413 -34.410-138.865 1.00 0.00 ATOM 381 N ALA A 50 33.362 -33.139-139.256 1.00 0.00 ATOM 382 CA ALA A 50 34.313 -32.142-138.756 1.00 0.00 ATOM 383 CB ALA A 50 35.269 -31.720-139.861 1.00 0.00 ATOM 384 O ALA A 50 34.250 -29.835-138.123 1.00 0.00 ATOM 385 C ALA A 50 33.630 -30.889-138.246 1.00 0.00 ATOM 386 N ARG A 51 32.345 -31.011-137.957 1.00 0.00 ATOM 387 CA ARG A 51 31.469 -29.920-137.459 1.00 0.00 ATOM 388 CB ARG A 51 30.312 -29.676-138.430 1.00 0.00 ATOM 389 CG ARG A 51 30.748 -29.212-139.810 1.00 0.00 ATOM 390 CD ARG A 51 29.550 -28.935-140.704 1.00 0.00 ATOM 391 NE ARG A 51 29.951 -28.549-142.054 1.00 0.00 ATOM 392 CZ ARG A 51 29.100 -28.266-143.035 1.00 0.00 ATOM 393 NH1 ARG A 51 29.557 -27.923-144.231 1.00 0.00 ATOM 394 NH2 ARG A 51 27.793 -28.326-142.816 1.00 0.00 ATOM 395 O ARG A 51 30.460 -29.322-135.371 1.00 0.00 ATOM 396 C ARG A 51 30.860 -30.229-136.101 1.00 0.00 ATOM 397 N GLU A 52 30.806 -31.194-135.847 1.00 0.00 ATOM 398 CA GLU A 52 30.124 -31.625-134.211 1.00 0.00 ATOM 399 CB GLU A 52 28.622 -31.901-134.312 1.00 0.00 ATOM 400 CG GLU A 52 27.954 -32.194-132.979 1.00 0.00 ATOM 401 CD GLU A 52 26.460 -32.415-133.112 1.00 0.00 ATOM 402 OE1 GLU A 52 25.941 -32.300-134.243 1.00 0.00 ATOM 403 OE2 GLU A 52 25.808 -32.701-132.086 1.00 0.00 ATOM 404 O GLU A 52 31.142 -33.775-134.489 1.00 0.00 ATOM 405 C GLU A 52 30.839 -32.870-133.712 1.00 0.00 ATOM 406 N LEU A 53 31.108 -32.916-132.402 1.00 0.00 ATOM 407 CA LEU A 53 31.856 -34.365-131.744 1.00 0.00 ATOM 408 CB LEU A 53 32.712 -34.019-130.524 1.00 0.00 ATOM 409 CG LEU A 53 33.907 -33.096-130.774 1.00 0.00 ATOM 410 CD1 LEU A 53 34.606 -32.756-129.467 1.00 0.00 ATOM 411 CD2 LEU A 53 34.918 -33.763-131.695 1.00 0.00 ATOM 412 O LEU A 53 31.202 -36.529-130.953 1.00 0.00 ATOM 413 C LEU A 53 30.840 -35.405-131.299 1.00 0.00 ATOM 414 N ALA A 54 29.881 -35.121-131.306 1.00 0.00 ATOM 415 CA ALA A 54 28.648 -36.121-130.762 1.00 0.00 ATOM 416 CB ALA A 54 27.330 -35.363-130.721 1.00 0.00 ATOM 417 O ALA A 54 28.391 -37.098-132.934 1.00 0.00 ATOM 418 C ALA A 54 28.544 -37.290-131.727 1.00 0.00 ATOM 419 N PRO A 55 28.606 -38.204-131.327 1.00 0.00 ATOM 420 CA PRO A 55 28.426 -39.468-132.171 1.00 0.00 ATOM 421 CB PRO A 55 29.004 -40.582-131.296 1.00 0.00 ATOM 422 CG PRO A 55 28.841 -40.084-129.900 1.00 0.00 ATOM 423 CD PRO A 55 29.067 -38.599-129.958 1.00 0.00 ATOM 424 O PRO A 55 26.682 -40.265-133.607 1.00 0.00 ATOM 425 C PRO A 55 26.977 -39.769-132.520 1.00 0.00 ATOM 426 N GLU A 56 26.071 -39.468-131.594 1.00 0.00 ATOM 427 CA GLU A 56 24.649 -39.725-131.767 1.00 0.00 ATOM 428 CB GLU A 56 23.891 -39.438-130.469 1.00 0.00 ATOM 429 CG GLU A 56 24.170 -40.433-129.355 1.00 0.00 ATOM 430 CD GLU A 56 23.516 -40.038-128.045 1.00 0.00 ATOM 431 OE1 GLU A 56 22.903 -38.951-127.990 1.00 0.00 ATOM 432 OE2 GLU A 56 23.616 -40.816-127.073 1.00 0.00 ATOM 433 O GLU A 56 23.401 -39.366-133.782 1.00 0.00 ATOM 434 C GLU A 56 24.051 -38.855-132.856 1.00 0.00 ATOM 435 N GLU A 57 24.257 -37.545-132.742 1.00 0.00 ATOM 436 CA GLU A 57 23.726 -36.585-133.711 1.00 0.00 ATOM 437 CB GLU A 57 24.123 -35.159-133.325 1.00 0.00 ATOM 438 CG GLU A 57 23.408 -34.628-132.093 1.00 0.00 ATOM 439 CD GLU A 57 21.901 -34.618-132.253 1.00 0.00 ATOM 440 OE1 GLU A 57 21.414 -34.059-133.258 1.00 0.00 ATOM 441 OE2 GLU A 57 21.206 -35.169-131.373 1.00 0.00 ATOM 442 O GLU A 57 23.538 -36.789-136.089 1.00 0.00 ATOM 443 C GLU A 57 24.261 -36.861-135.112 1.00 0.00 ATOM 444 N GLU A 58 25.542 -37.188-135.191 1.00 0.00 ATOM 445 CA GLU A 58 26.204 -37.508-136.445 1.00 0.00 ATOM 446 CB GLU A 58 27.675 -37.852-136.202 1.00 0.00 ATOM 447 CG GLU A 58 28.533 -36.663-135.804 1.00 0.00 ATOM 448 CD GLU A 58 29.953 -37.060-135.452 1.00 0.00 ATOM 449 OE1 GLU A 58 30.246 -38.274-135.448 1.00 0.00 ATOM 450 OE2 GLU A 58 30.773 -36.158-135.181 1.00 0.00 ATOM 451 O GLU A 58 25.325 -38.704-138.342 1.00 0.00 ATOM 452 C GLU A 58 25.549 -38.698-137.126 1.00 0.00 ATOM 453 N VAL A 59 25.269 -39.719-136.327 1.00 0.00 ATOM 454 CA VAL A 59 24.696 -40.946-136.814 1.00 0.00 ATOM 455 CB VAL A 59 24.625 -42.014-135.707 1.00 0.00 ATOM 456 CG1 VAL A 59 23.850 -43.231-136.190 1.00 0.00 ATOM 457 CG2 VAL A 59 26.023 -42.462-135.308 1.00 0.00 ATOM 458 O VAL A 59 22.961 -41.183-138.439 1.00 0.00 ATOM 459 C VAL A 59 23.279 -40.741-137.334 1.00 0.00 ATOM 460 N LYS A 60 22.459 -40.048-136.543 1.00 0.00 ATOM 461 CA LYS A 60 21.071 -39.751-136.884 1.00 0.00 ATOM 462 CB LYS A 60 20.341 -39.149-135.682 1.00 0.00 ATOM 463 CG LYS A 60 20.089 -40.134-134.552 1.00 0.00 ATOM 464 CD LYS A 60 19.367 -39.470-133.391 1.00 0.00 ATOM 465 CE LYS A 60 19.115 -40.454-132.261 1.00 0.00 ATOM 466 NZ LYS A 60 18.433 -39.810-131.105 1.00 0.00 ATOM 467 O LYS A 60 19.929 -38.870-138.783 1.00 0.00 ATOM 468 C LYS A 60 20.908 -38.767-138.021 1.00 0.00 ATOM 469 N LEU A 61 21.851 -37.825-138.141 1.00 0.00 ATOM 470 CA LEU A 61 21.828 -36.849-139.218 1.00 0.00 ATOM 471 CB LEU A 61 22.778 -35.690-138.911 1.00 0.00 ATOM 472 CG LEU A 61 22.409 -34.809-137.715 1.00 0.00 ATOM 473 CD1 LEU A 61 23.499 -33.784-137.445 1.00 0.00 ATOM 474 CD2 LEU A 61 21.109 -34.064-137.977 1.00 0.00 ATOM 475 O LEU A 61 21.700 -37.187-141.566 1.00 0.00 ATOM 476 C LEU A 61 22.259 -37.496-140.514 1.00 0.00 ATOM 477 N GLU A 62 23.236 -38.407-140.450 1.00 0.00 ATOM 478 CA GLU A 62 23.663 -39.144-141.645 1.00 0.00 ATOM 479 CB GLU A 62 24.901 -39.990-141.339 1.00 0.00 ATOM 480 CG GLU A 62 26.165 -39.179-141.108 1.00 0.00 ATOM 481 CD GLU A 62 27.348 -40.043-140.718 1.00 0.00 ATOM 482 OE1 GLU A 62 27.164 -41.269-140.567 1.00 0.00 ATOM 483 OE2 GLU A 62 28.460 -39.494-140.564 1.00 0.00 ATOM 484 O GLU A 62 22.487 -40.337-143.349 1.00 0.00 ATOM 485 C GLU A 62 22.571 -40.079-142.147 1.00 0.00 ATOM 486 N HIS A 63 21.765 -40.621-141.230 1.00 0.00 ATOM 487 CA HIS A 63 20.666 -41.496-141.630 1.00 0.00 ATOM 488 CB HIS A 63 20.169 -42.313-140.435 1.00 0.00 ATOM 489 CG HIS A 63 21.161 -43.317-139.936 1.00 0.00 ATOM 490 CD2 HIS A 63 22.369 -43.934-140.463 1.00 0.00 ATOM 491 ND1 HIS A 63 21.063 -43.906-138.694 1.00 0.00 ATOM 492 CE1 HIS A 63 22.091 -44.758-138.531 1.00 0.00 ATOM 493 NE2 HIS A 63 22.879 -44.779-139.589 1.00 0.00 ATOM 494 O HIS A 63 18.722 -41.134-142.968 1.00 0.00 ATOM 495 C HIS A 63 19.515 -40.658-142.166 1.00 0.00 ATOM 496 N HIS A 64 19.414 -39.418-141.697 1.00 0.00 ATOM 497 CA HIS A 64 18.338 -38.529-142.114 1.00 0.00 ATOM 498 CB HIS A 64 18.285 -37.293-141.214 1.00 0.00 ATOM 499 CG HIS A 64 17.222 -36.311-141.598 1.00 0.00 ATOM 500 CD2 HIS A 64 17.199 -34.992-142.212 1.00 0.00 ATOM 501 ND1 HIS A 64 15.880 -36.550-141.393 1.00 0.00 ATOM 502 CE1 HIS A 64 15.175 -35.493-141.836 1.00 0.00 ATOM 503 NE2 HIS A 64 15.960 -34.555-142.329 1.00 0.00 ATOM 504 O HIS A 64 17.575 -38.130-144.325 1.00 0.00 ATOM 505 C HIS A 64 18.502 -38.040-143.543 1.00 0.00 ATOM 506 N HIS A 65 19.690 -37.537-143.884 1.00 0.00 ATOM 507 CA HIS A 65 19.939 -37.005-145.231 1.00 0.00 ATOM 508 CB HIS A 65 21.304 -36.317-145.291 1.00 0.00 ATOM 509 CG HIS A 65 21.379 -35.051-144.496 1.00 0.00 ATOM 510 CD2 HIS A 65 22.075 -34.621-143.292 1.00 0.00 ATOM 511 ND1 HIS A 65 20.683 -33.913-144.841 1.00 0.00 ATOM 512 CE1 HIS A 65 20.949 -32.948-143.943 1.00 0.00 ATOM 513 NE2 HIS A 65 21.784 -33.366-143.010 1.00 0.00 ATOM 514 O HIS A 65 19.840 -37.775-147.485 1.00 0.00 ATOM 515 C HIS A 65 19.932 -38.085-146.308 1.00 0.00 ATOM 516 N HIS A 66 20.014 -39.348-145.899 1.00 0.00 ATOM 517 CA HIS A 66 19.940 -40.474-146.828 1.00 0.00 ATOM 518 CB HIS A 66 20.700 -41.679-146.270 1.00 0.00 ATOM 519 CG HIS A 66 22.172 -41.451-146.125 1.00 0.00 ATOM 520 CD2 HIS A 66 23.119 -40.451-146.597 1.00 0.00 ATOM 521 ND1 HIS A 66 22.988 -42.294-145.402 1.00 0.00 ATOM 522 CE1 HIS A 66 24.250 -41.832-145.454 1.00 0.00 ATOM 523 NE2 HIS A 66 24.336 -40.727-146.169 1.00 0.00 ATOM 524 O HIS A 66 18.304 -41.915-147.852 1.00 0.00 ATOM 525 C HIS A 66 18.500 -40.943-147.108 1.00 0.00 ATOM 526 N HIS A 67 17.498 -40.283-146.513 1.00 0.00 ATOM 527 CA HIS A 67 16.097 -40.658-146.754 1.00 0.00 ATOM 528 CB HIS A 67 15.179 -39.985-145.732 1.00 0.00 ATOM 529 CG HIS A 67 13.770 -40.492-145.759 1.00 0.00 ATOM 530 CD2 HIS A 67 12.994 -41.445-144.978 1.00 0.00 ATOM 531 ND1 HIS A 67 12.842 -40.061-146.681 1.00 0.00 ATOM 532 CE1 HIS A 67 11.675 -40.691-146.456 1.00 0.00 ATOM 533 NE2 HIS A 67 11.760 -41.522-145.435 1.00 0.00 ATOM 534 O HIS A 67 16.266 -39.272-148.697 1.00 0.00 ATOM 535 C HIS A 67 15.683 -40.216-148.159 1.00 0.00 ATOM 536 N HIS A 68 14.708 -40.902-148.768 1.00 0.00 ATOM 537 CA HIS A 68 14.294 -40.609-150.150 1.00 0.00 ATOM 538 CB HIS A 68 13.368 -41.707-150.676 1.00 0.00 ATOM 539 CG HIS A 68 14.014 -43.056-150.754 1.00 0.00 ATOM 540 CD2 HIS A 68 13.841 -44.331-150.073 1.00 0.00 ATOM 541 ND1 HIS A 68 15.040 -43.340-151.629 1.00 0.00 ATOM 542 CE1 HIS A 68 15.410 -44.623-151.467 1.00 0.00 ATOM 543 NE2 HIS A 68 14.695 -45.223-150.535 1.00 0.00 ATOM 544 O HIS A 68 13.723 -38.675-151.390 1.00 0.00 ATOM 545 C HIS A 68 13.532 -39.293-150.351 1.00 0.00 ENDMDL