User input for job 639077

Modeling method CM only

• Superimpose partial threads before hybrid sampling.
• Sample 1 model.

Partial threads

wt: 1 >query MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKWLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH >model_07.pdb MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKWLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH ATOM 1 N MET B 1 11.160 -20.164 1.983 1.00 0.66 N ATOM 2 CA MET B 1 11.830 -19.332 0.934 1.00 0.66 C ATOM 3 C MET B 1 13.171 -19.940 0.610 1.00 0.66 C ATOM 4 O MET B 1 13.868 -20.355 1.526 1.00 0.66 O ATOM 5 CB MET B 1 12.054 -17.875 1.439 1.00 0.66 C ATOM 9 N HIS B 2 13.558 -20.013 -0.677 1.00 0.69 N ATOM 10 CA HIS B 2 14.820 -20.599 -1.069 1.00 0.69 C ATOM 11 C HIS B 2 15.869 -19.508 -1.086 1.00 0.69 C ATOM 12 O HIS B 2 15.702 -18.495 -1.766 1.00 0.69 O ATOM 13 CB HIS B 2 14.727 -21.219 -2.483 1.00 0.69 C ATOM 19 N LEU B 3 16.956 -19.718 -0.326 1.00 0.80 N ATOM 20 CA LEU B 3 18.152 -18.905 -0.317 1.00 0.80 C ATOM 21 C LEU B 3 19.263 -19.788 -0.855 1.00 0.80 C ATOM 22 O LEU B 3 19.363 -20.970 -0.510 1.00 0.80 O ATOM 23 CB LEU B 3 18.584 -18.438 1.102 1.00 0.80 C ATOM 27 N THR B 4 20.147 -19.238 -1.710 1.00 0.81 N ATOM 28 CA THR B 4 21.359 -19.909 -2.178 1.00 0.81 C ATOM 29 C THR B 4 22.300 -20.190 -0.999 1.00 0.81 C ATOM 30 O THR B 4 22.174 -19.537 0.041 1.00 0.81 O ATOM 31 CB THR B 4 22.115 -19.189 -3.308 1.00 0.81 C ATOM 34 N PRO B 5 23.245 -21.130 -1.042 1.00 0.79 N ATOM 35 CA PRO B 5 24.328 -21.227 -0.058 1.00 0.79 C ATOM 36 C PRO B 5 25.061 -19.926 0.260 1.00 0.79 C ATOM 37 O PRO B 5 25.384 -19.689 1.424 1.00 0.79 O ATOM 38 CB PRO B 5 25.270 -22.295 -0.629 1.00 0.79 C ATOM 41 N GLU B 6 25.344 -19.090 -0.759 1.00 0.76 N ATOM 42 CA GLU B 6 25.948 -17.777 -0.606 1.00 0.76 C ATOM 43 C GLU B 6 25.081 -16.791 0.177 1.00 0.76 C ATOM 44 O GLU B 6 25.534 -16.173 1.143 1.00 0.76 O ATOM 45 CB GLU B 6 26.238 -17.199 -2.003 1.00 0.76 C ATOM 50 N GLU B 7 23.774 -16.687 -0.173 1.00 0.78 N ATOM 51 CA GLU B 7 22.795 -15.872 0.533 1.00 0.78 C ATOM 52 C GLU B 7 22.615 -16.324 1.975 1.00 0.78 C ATOM 53 O GLU B 7 22.569 -15.507 2.892 1.00 0.78 O ATOM 54 CB GLU B 7 21.415 -15.904 -0.173 1.00 0.78 C ATOM 59 N LYS B 8 22.562 -17.656 2.225 1.00 0.78 N ATOM 60 CA LYS B 8 22.532 -18.209 3.573 1.00 0.78 C ATOM 61 C LYS B 8 23.744 -17.814 4.411 1.00 0.78 C ATOM 62 O LYS B 8 23.583 -17.344 5.530 1.00 0.78 O ATOM 63 CB LYS B 8 22.419 -19.761 3.571 1.00 0.78 C ATOM 68 N SER B 9 24.973 -17.936 3.862 1.00 0.78 N ATOM 69 CA SER B 9 26.216 -17.544 4.527 1.00 0.78 C ATOM 70 C SER B 9 26.244 -16.064 4.897 1.00 0.78 C ATOM 71 O SER B 9 26.576 -15.693 6.019 1.00 0.78 O ATOM 72 CB SER B 9 27.454 -17.920 3.659 1.00 0.78 C ATOM 74 N ALA B 10 25.808 -15.170 3.982 1.00 0.83 N ATOM 75 CA ALA B 10 25.696 -13.749 4.253 1.00 0.83 C ATOM 76 C ALA B 10 24.727 -13.395 5.384 1.00 0.83 C ATOM 77 O ALA B 10 25.014 -12.551 6.233 1.00 0.83 O ATOM 78 CB ALA B 10 25.283 -13.035 2.953 1.00 0.83 C ATOM 79 N VAL B 11 23.554 -14.062 5.437 1.00 0.84 N ATOM 80 CA VAL B 11 22.620 -13.943 6.547 1.00 0.84 C ATOM 81 C VAL B 11 23.191 -14.443 7.867 1.00 0.84 C ATOM 82 O VAL B 11 23.202 -13.707 8.857 1.00 0.84 O ATOM 83 CB VAL B 11 21.311 -14.665 6.228 1.00 0.84 C ATOM 86 N THR B 12 23.731 -15.683 7.902 1.00 0.80 N ATOM 87 CA THR B 12 24.218 -16.348 9.114 1.00 0.80 C ATOM 88 C THR B 12 25.400 -15.642 9.753 1.00 0.80 C ATOM 89 O THR B 12 25.447 -15.472 10.972 1.00 0.80 O ATOM 90 CB THR B 12 24.543 -17.836 8.946 1.00 0.80 C ATOM 93 N ALA B 13 26.354 -15.159 8.927 1.00 0.83 N ATOM 94 CA ALA B 13 27.538 -14.420 9.328 1.00 0.83 C ATOM 95 C ALA B 13 27.240 -13.141 10.100 1.00 0.83 C ATOM 96 O ALA B 13 27.870 -12.837 11.112 1.00 0.83 O ATOM 97 CB ALA B 13 28.335 -14.044 8.059 1.00 0.83 C ATOM 98 N LEU B 14 26.249 -12.364 9.620 1.00 0.84 N ATOM 99 CA LEU B 14 25.758 -11.175 10.283 1.00 0.84 C ATOM 100 C LEU B 14 24.929 -11.486 11.529 1.00 0.84 C ATOM 101 O LEU B 14 25.099 -10.876 12.581 1.00 0.84 O ATOM 102 CB LEU B 14 24.927 -10.338 9.290 1.00 0.84 C ATOM 106 N TRP B 15 24.025 -12.491 11.438 1.00 0.81 N ATOM 107 CA TRP B 15 23.079 -12.859 12.484 1.00 0.81 C ATOM 108 C TRP B 15 23.750 -13.313 13.772 1.00 0.81 C ATOM 109 O TRP B 15 23.314 -12.990 14.871 1.00 0.81 O ATOM 110 CB TRP B 15 22.055 -13.911 11.996 1.00 0.81 C ATOM 120 N GLY B 16 24.890 -14.027 13.662 1.00 0.86 N ATOM 121 CA GLY B 16 25.667 -14.460 14.822 1.00 0.86 C ATOM 122 C GLY B 16 26.354 -13.355 15.594 1.00 0.86 C ATOM 123 O GLY B 16 26.819 -13.568 16.709 1.00 0.86 O ATOM 124 N LYS B 17 26.425 -12.137 15.023 1.00 0.83 N ATOM 125 CA LYS B 17 26.979 -10.969 15.672 1.00 0.83 C ATOM 126 C LYS B 17 25.895 -10.034 16.196 1.00 0.83 C ATOM 127 O LYS B 17 26.190 -8.998 16.791 1.00 0.83 O ATOM 128 CB LYS B 17 27.799 -10.168 14.638 1.00 0.83 C ATOM 133 N VAL B 18 24.602 -10.352 15.976 1.00 0.86 N ATOM 134 CA VAL B 18 23.488 -9.543 16.446 1.00 0.86 C ATOM 135 C VAL B 18 23.401 -9.481 17.961 1.00 0.86 C ATOM 136 O VAL B 18 23.411 -10.493 18.659 1.00 0.86 O ATOM 137 CB VAL B 18 22.165 -10.022 15.846 1.00 0.86 C ATOM 140 N ASN B 19 23.277 -8.261 18.530 1.00 0.81 N ATOM 141 CA ASN B 19 22.924 -8.105 19.924 1.00 0.81 C ATOM 142 C ASN B 19 21.461 -8.526 20.130 1.00 0.81 C ATOM 143 O ASN B 19 20.529 -7.806 19.766 1.00 0.81 O ATOM 144 CB ASN B 19 23.220 -6.650 20.387 1.00 0.81 C ATOM 148 N VAL B 20 21.238 -9.718 20.726 1.00 0.75 N ATOM 149 CA VAL B 20 19.919 -10.297 20.896 1.00 0.75 C ATOM 150 C VAL B 20 19.062 -9.602 21.946 1.00 0.75 C ATOM 151 O VAL B 20 17.837 -9.709 21.917 1.00 0.75 O ATOM 152 CB VAL B 20 19.972 -11.805 21.158 1.00 0.75 C ATOM 155 N ASP B 21 19.673 -8.842 22.876 1.00 0.73 N ATOM 156 CA ASP B 21 18.962 -8.135 23.918 1.00 0.73 C ATOM 157 C ASP B 21 18.424 -6.770 23.444 1.00 0.73 C ATOM 158 O ASP B 21 17.417 -6.280 23.965 1.00 0.73 O ATOM 159 CB ASP B 21 19.896 -8.031 25.159 1.00 0.73 C ATOM 163 N GLU B 22 19.018 -6.166 22.382 1.00 0.78 N ATOM 164 CA GLU B 22 18.686 -4.807 21.966 1.00 0.78 C ATOM 165 C GLU B 22 18.015 -4.717 20.598 1.00 0.78 C ATOM 166 O GLU B 22 17.015 -4.013 20.442 1.00 0.78 O ATOM 167 CB GLU B 22 19.955 -3.918 21.967 1.00 0.78 C ATOM 172 N VAL B 23 18.474 -5.473 19.565 1.00 0.89 N ATOM 173 CA VAL B 23 18.043 -5.300 18.169 1.00 0.89 C ATOM 174 C VAL B 23 16.547 -5.447 17.961 1.00 0.89 C ATOM 175 O VAL B 23 15.914 -4.682 17.234 1.00 0.89 O ATOM 176 CB VAL B 23 18.812 -6.234 17.229 1.00 0.89 C ATOM 179 N GLY B 24 15.915 -6.424 18.637 1.00 0.89 N ATOM 180 CA GLY B 24 14.484 -6.639 18.508 1.00 0.89 C ATOM 181 C GLY B 24 13.629 -5.580 19.143 1.00 0.89 C ATOM 182 O GLY B 24 12.568 -5.226 18.630 1.00 0.89 O ATOM 183 N GLY B 25 14.086 -5.021 20.283 1.00 0.90 N ATOM 184 CA GLY B 25 13.422 -3.910 20.953 1.00 0.90 C ATOM 185 C GLY B 25 13.570 -2.634 20.182 1.00 0.90 C ATOM 186 O GLY B 25 12.641 -1.839 20.091 1.00 0.90 O ATOM 187 N GLU B 26 14.739 -2.423 19.556 1.00 0.86 N ATOM 188 CA GLU B 26 14.940 -1.342 18.618 1.00 0.86 C ATOM 189 C GLU B 26 14.087 -1.421 17.355 1.00 0.86 C ATOM 190 O GLU B 26 13.520 -0.420 16.915 1.00 0.86 O ATOM 191 CB GLU B 26 16.423 -1.204 18.252 1.00 0.86 C ATOM 196 N ALA B 27 13.944 -2.617 16.745 1.00 0.92 N ATOM 197 CA ALA B 27 13.061 -2.847 15.618 1.00 0.92 C ATOM 198 C ALA B 27 11.591 -2.629 15.936 1.00 0.92 C ATOM 199 O ALA B 27 10.871 -1.940 15.216 1.00 0.92 O ATOM 200 CB ALA B 27 13.278 -4.279 15.090 1.00 0.92 C ATOM 201 N LEU B 28 11.112 -3.166 17.072 1.00 0.88 N ATOM 202 CA LEU B 28 9.761 -2.913 17.527 1.00 0.88 C ATOM 203 C LEU B 28 9.520 -1.455 17.877 1.00 0.88 C ATOM 204 O LEU B 28 8.534 -0.856 17.459 1.00 0.88 O ATOM 205 CB LEU B 28 9.438 -3.799 18.742 1.00 0.88 C ATOM 209 N GLY B 29 10.456 -0.822 18.614 1.00 0.91 N ATOM 210 CA GLY B 29 10.414 0.604 18.906 1.00 0.91 C ATOM 211 C GLY B 29 10.329 1.502 17.697 1.00 0.91 C ATOM 212 O GLY B 29 9.481 2.381 17.611 1.00 0.91 O ATOM 213 N ARG B 30 11.187 1.284 16.688 1.00 0.83 N ATOM 214 CA ARG B 30 11.100 1.997 15.429 1.00 0.83 C ATOM 215 C ARG B 30 9.814 1.755 14.652 1.00 0.83 C ATOM 216 O ARG B 30 9.278 2.687 14.062 1.00 0.83 O ATOM 217 CB ARG B 30 12.324 1.720 14.542 1.00 0.83 C ATOM 224 N LEU B 31 9.249 0.528 14.653 1.00 0.89 N ATOM 225 CA LEU B 31 7.943 0.267 14.060 1.00 0.89 C ATOM 226 C LEU B 31 6.839 1.114 14.688 1.00 0.89 C ATOM 227 O LEU B 31 6.017 1.697 13.988 1.00 0.89 O ATOM 228 CB LEU B 31 7.560 -1.227 14.213 1.00 0.89 C ATOM 232 N LEU B 32 6.834 1.229 16.031 1.00 0.87 N ATOM 233 CA LEU B 32 5.875 2.018 16.782 1.00 0.87 C ATOM 234 C LEU B 32 6.034 3.525 16.623 1.00 0.87 C ATOM 235 O LEU B 32 5.086 4.276 16.833 1.00 0.87 O ATOM 236 CB LEU B 32 5.991 1.688 18.289 1.00 0.87 C ATOM 240 N VAL B 33 7.235 4.015 16.261 1.00 0.87 N ATOM 241 CA VAL B 33 7.467 5.427 15.990 1.00 0.87 C ATOM 242 C VAL B 33 7.213 5.794 14.533 1.00 0.87 C ATOM 243 O VAL B 33 6.494 6.744 14.236 1.00 0.87 O ATOM 244 CB VAL B 33 8.883 5.822 16.395 1.00 0.87 C ATOM 247 N VAL B 34 7.800 5.042 13.575 1.00 0.89 N ATOM 248 CA VAL B 34 7.689 5.300 12.143 1.00 0.89 C ATOM 249 C VAL B 34 6.276 5.061 11.625 1.00 0.89 C ATOM 250 O VAL B 34 5.758 5.814 10.802 1.00 0.89 O ATOM 251 CB VAL B 34 8.726 4.509 11.338 1.00 0.89 C ATOM 254 N TYR B 35 5.597 4.006 12.121 1.00 0.86 N ATOM 255 CA TYR B 35 4.264 3.640 11.680 1.00 0.86 C ATOM 256 C TYR B 35 3.279 3.686 12.856 1.00 0.86 C ATOM 257 O TYR B 35 2.844 2.633 13.322 1.00 0.86 O ATOM 258 CB TYR B 35 4.290 2.231 11.041 1.00 0.86 C ATOM 266 N PRO B 36 2.880 4.849 13.396 1.00 0.85 N ATOM 267 CA PRO B 36 2.430 4.986 14.783 1.00 0.85 C ATOM 268 C PRO B 36 1.072 4.376 15.052 1.00 0.85 C ATOM 269 O PRO B 36 0.685 4.242 16.210 1.00 0.85 O ATOM 270 CB PRO B 36 2.439 6.504 15.044 1.00 0.85 C ATOM 273 N TRP B 37 0.331 3.950 14.015 1.00 0.79 N ATOM 274 CA TRP B 37 -0.927 3.251 14.163 1.00 0.79 C ATOM 275 C TRP B 37 -0.749 1.849 14.748 1.00 0.79 C ATOM 276 O TRP B 37 -1.677 1.274 15.316 1.00 0.79 O ATOM 277 CB TRP B 37 -1.677 3.180 12.805 1.00 0.79 C ATOM 287 N THR B 38 0.477 1.280 14.674 1.00 0.84 N ATOM 288 CA THR B 38 0.815 -0.024 15.234 1.00 0.84 C ATOM 289 C THR B 38 0.794 -0.018 16.756 1.00 0.84 C ATOM 290 O THR B 38 0.620 -1.061 17.377 1.00 0.84 O ATOM 291 CB THR B 38 2.163 -0.571 14.756 1.00 0.84 C ATOM 294 N GLN B 39 0.873 1.173 17.396 1.00 0.78 N ATOM 295 CA GLN B 39 0.720 1.385 18.829 1.00 0.78 C ATOM 296 C GLN B 39 -0.629 0.937 19.376 1.00 0.78 C ATOM 297 O GLN B 39 -0.745 0.558 20.538 1.00 0.78 O ATOM 298 CB GLN B 39 0.920 2.870 19.200 1.00 0.78 C ATOM 303 N ARG B 40 -1.678 0.920 18.524 1.00 0.70 N ATOM 304 CA ARG B 40 -3.024 0.497 18.875 1.00 0.70 C ATOM 305 C ARG B 40 -3.101 -0.921 19.435 1.00 0.70 C ATOM 306 O ARG B 40 -3.950 -1.238 20.259 1.00 0.70 O ATOM 307 CB ARG B 40 -3.935 0.592 17.626 1.00 0.70 C ATOM 314 N PHE B 41 -2.182 -1.812 19.016 1.00 0.78 N ATOM 315 CA PHE B 41 -2.176 -3.197 19.442 1.00 0.78 C ATOM 316 C PHE B 41 -1.422 -3.403 20.762 1.00 0.78 C ATOM 317 O PHE B 41 -1.337 -4.519 21.273 1.00 0.78 O ATOM 318 CB PHE B 41 -1.474 -4.067 18.367 1.00 0.78 C ATOM 325 N PHE B 42 -0.869 -2.322 21.358 1.00 0.79 N ATOM 326 CA PHE B 42 0.034 -2.391 22.493 1.00 0.79 C ATOM 327 C PHE B 42 -0.430 -1.513 23.656 1.00 0.79 C ATOM 328 O PHE B 42 0.380 -0.930 24.374 1.00 0.79 O ATOM 329 CB PHE B 42 1.481 -1.995 22.098 1.00 0.79 C ATOM 336 N GLU B 43 -1.752 -1.428 23.933 1.00 0.70 N ATOM 337 CA GLU B 43 -2.312 -0.676 25.055 1.00 0.70 C ATOM 338 C GLU B 43 -1.766 -1.070 26.432 1.00 0.70 C ATOM 339 O GLU B 43 -1.583 -0.243 27.321 1.00 0.70 O ATOM 340 CB GLU B 43 -3.852 -0.795 25.067 1.00 0.70 C ATOM 345 N SER B 44 -1.415 -2.361 26.628 1.00 0.80 N ATOM 346 CA SER B 44 -0.924 -2.877 27.900 1.00 0.80 C ATOM 347 C SER B 44 0.570 -2.655 28.107 1.00 0.80 C ATOM 348 O SER B 44 1.153 -3.134 29.080 1.00 0.80 O ATOM 349 CB SER B 44 -1.195 -4.407 28.053 1.00 0.80 C ATOM 351 N PHE B 45 1.237 -1.911 27.198 1.00 0.84 N ATOM 352 CA PHE B 45 2.671 -1.697 27.237 1.00 0.84 C ATOM 353 C PHE B 45 3.016 -0.360 27.881 1.00 0.84 C ATOM 354 O PHE B 45 4.184 -0.048 28.098 1.00 0.84 O ATOM 355 CB PHE B 45 3.281 -1.753 25.807 1.00 0.84 C ATOM 362 N GLY B 46 2.009 0.446 28.271 1.00 0.83 N ATOM 363 CA GLY B 46 2.236 1.725 28.932 1.00 0.83 C ATOM 364 C GLY B 46 2.594 2.836 27.986 1.00 0.83 C ATOM 365 O GLY B 46 2.092 2.906 26.869 1.00 0.83 O ATOM 366 N ASP B 47 3.436 3.783 28.443 1.00 0.82 N ATOM 367 CA ASP B 47 3.771 4.961 27.674 1.00 0.82 C ATOM 368 C ASP B 47 4.505 4.683 26.353 1.00 0.82 C ATOM 369 O ASP B 47 5.545 4.019 26.301 1.00 0.82 O ATOM 370 CB ASP B 47 4.531 5.974 28.567 1.00 0.82 C ATOM 374 N LEU B 48 3.935 5.224 25.258 1.00 0.84 N ATOM 375 CA LEU B 48 4.447 5.193 23.910 1.00 0.84 C ATOM 376 C LEU B 48 4.292 6.593 23.302 1.00 0.84 C ATOM 377 O LEU B 48 4.383 6.762 22.089 1.00 0.84 O ATOM 378 CB LEU B 48 3.690 4.152 23.027 1.00 0.84 C ATOM 382 N SER B 49 4.054 7.657 24.118 1.00 0.79 N ATOM 383 CA SER B 49 3.659 8.968 23.589 1.00 0.79 C ATOM 384 C SER B 49 4.735 9.759 22.864 1.00 0.79 C ATOM 385 O SER B 49 4.442 10.624 22.034 1.00 0.79 O ATOM 386 CB SER B 49 2.952 9.893 24.652 1.00 0.79 C ATOM 388 N THR B 50 6.015 9.460 23.129 1.00 0.84 N ATOM 389 CA THR B 50 7.159 10.155 22.556 1.00 0.84 C ATOM 390 C THR B 50 8.120 9.111 22.013 1.00 0.84 C ATOM 391 O THR B 50 8.086 7.969 22.477 1.00 0.84 O ATOM 392 CB THR B 50 7.911 11.078 23.537 1.00 0.84 C ATOM 395 N PRO B 51 9.004 9.407 21.060 1.00 0.86 N ATOM 396 CA PRO B 51 10.119 8.539 20.684 1.00 0.86 C ATOM 397 C PRO B 51 10.932 7.994 21.852 1.00 0.86 C ATOM 398 O PRO B 51 11.119 6.784 21.924 1.00 0.86 O ATOM 399 CB PRO B 51 10.945 9.390 19.708 1.00 0.86 C ATOM 402 N ASP B 52 11.369 8.854 22.791 1.00 0.85 N ATOM 403 CA ASP B 52 12.118 8.492 23.981 1.00 0.85 C ATOM 404 C ASP B 52 11.359 7.533 24.897 1.00 0.85 C ATOM 405 O ASP B 52 11.912 6.543 25.376 1.00 0.85 O ATOM 406 CB ASP B 52 12.518 9.785 24.736 1.00 0.85 C ATOM 410 N ALA B 53 10.042 7.764 25.109 1.00 0.89 N ATOM 411 CA ALA B 53 9.184 6.867 25.859 1.00 0.89 C ATOM 412 C ALA B 53 9.110 5.479 25.231 1.00 0.89 C ATOM 413 O ALA B 53 9.284 4.477 25.915 1.00 0.89 O ATOM 414 CB ALA B 53 7.766 7.459 26.006 1.00 0.89 C ATOM 415 N VAL B 54 8.941 5.390 23.891 1.00 0.87 N ATOM 416 CA VAL B 54 8.965 4.129 23.158 1.00 0.87 C ATOM 417 C VAL B 54 10.298 3.388 23.276 1.00 0.87 C ATOM 418 O VAL B 54 10.338 2.193 23.565 1.00 0.87 O ATOM 419 CB VAL B 54 8.648 4.332 21.675 1.00 0.87 C ATOM 422 N MET B 55 11.441 4.085 23.095 1.00 0.84 N ATOM 423 CA MET B 55 12.753 3.454 23.103 1.00 0.84 C ATOM 424 C MET B 55 13.270 3.105 24.497 1.00 0.84 C ATOM 425 O MET B 55 14.135 2.239 24.662 1.00 0.84 O ATOM 426 CB MET B 55 13.789 4.348 22.372 1.00 0.84 C ATOM 430 N GLY B 56 12.723 3.754 25.544 1.00 0.90 N ATOM 431 CA GLY B 56 12.975 3.438 26.944 1.00 0.90 C ATOM 432 C GLY B 56 11.998 2.466 27.546 1.00 0.90 C ATOM 433 O GLY B 56 12.179 2.026 28.677 1.00 0.90 O ATOM 434 N ASN B 57 10.927 2.100 26.817 1.00 0.86 N ATOM 435 CA ASN B 57 9.872 1.241 27.312 1.00 0.86 C ATOM 436 C ASN B 57 10.393 -0.194 27.596 1.00 0.86 C ATOM 437 O ASN B 57 10.888 -0.852 26.674 1.00 0.86 O ATOM 438 CB ASN B 57 8.697 1.270 26.295 1.00 0.86 C ATOM 442 N PRO B 58 10.323 -0.744 28.820 1.00 0.86 N ATOM 443 CA PRO B 58 10.898 -2.045 29.151 1.00 0.86 C ATOM 444 C PRO B 58 10.128 -3.178 28.517 1.00 0.86 C ATOM 445 O PRO B 58 10.717 -4.201 28.165 1.00 0.86 O ATOM 446 CB PRO B 58 10.904 -2.103 30.691 1.00 0.86 C ATOM 449 N LYS B 59 8.808 -3.024 28.366 1.00 0.82 N ATOM 450 CA LYS B 59 7.947 -4.014 27.764 1.00 0.82 C ATOM 451 C LYS B 59 8.170 -4.152 26.259 1.00 0.82 C ATOM 452 O LYS B 59 8.173 -5.261 25.722 1.00 0.82 O ATOM 453 CB LYS B 59 6.470 -3.736 28.114 1.00 0.82 C ATOM 458 N VAL B 60 8.412 -3.022 25.554 1.00 0.87 N ATOM 459 CA VAL B 60 8.837 -2.990 24.153 1.00 0.87 C ATOM 460 C VAL B 60 10.163 -3.707 23.950 1.00 0.87 C ATOM 461 O VAL B 60 10.305 -4.524 23.043 1.00 0.87 O ATOM 462 CB VAL B 60 8.933 -1.559 23.616 1.00 0.87 C ATOM 465 N LYS B 61 11.160 -3.474 24.831 1.00 0.81 N ATOM 466 CA LYS B 61 12.416 -4.205 24.790 1.00 0.81 C ATOM 467 C LYS B 61 12.261 -5.713 24.992 1.00 0.81 C ATOM 468 O LYS B 61 12.746 -6.516 24.197 1.00 0.81 O ATOM 469 CB LYS B 61 13.391 -3.648 25.852 1.00 0.81 C ATOM 474 N ALA B 62 11.512 -6.131 26.033 1.00 0.87 N ATOM 475 CA ALA B 62 11.261 -7.526 26.332 1.00 0.87 C ATOM 476 C ALA B 62 10.465 -8.287 25.266 1.00 0.87 C ATOM 477 O ALA B 62 10.797 -9.414 24.900 1.00 0.87 O ATOM 478 CB ALA B 62 10.547 -7.612 27.694 1.00 0.87 C ATOM 479 N HIS B 63 9.390 -7.673 24.724 1.00 0.81 N ATOM 480 CA HIS B 63 8.620 -8.204 23.606 1.00 0.81 C ATOM 481 C HIS B 63 9.411 -8.236 22.314 1.00 0.81 C ATOM 482 O HIS B 63 9.331 -9.179 21.530 1.00 0.81 O ATOM 483 CB HIS B 63 7.323 -7.400 23.383 1.00 0.81 C ATOM 489 N GLY B 64 10.235 -7.199 22.068 1.00 0.90 N ATOM 490 CA GLY B 64 11.126 -7.157 20.922 1.00 0.90 C ATOM 491 C GLY B 64 12.157 -8.257 20.886 1.00 0.90 C ATOM 492 O GLY B 64 12.469 -8.790 19.826 1.00 0.90 O ATOM 493 N LYS B 65 12.675 -8.674 22.054 1.00 0.82 N ATOM 494 CA LYS B 65 13.538 -9.834 22.188 1.00 0.82 C ATOM 495 C LYS B 65 12.861 -11.139 21.764 1.00 0.82 C ATOM 496 O LYS B 65 13.442 -11.963 21.060 1.00 0.82 O ATOM 497 CB LYS B 65 14.051 -9.927 23.643 1.00 0.82 C ATOM 502 N LYS B 66 11.580 -11.330 22.146 1.00 0.83 N ATOM 503 CA LYS B 66 10.754 -12.447 21.712 1.00 0.83 C ATOM 504 C LYS B 66 10.505 -12.455 20.224 1.00 0.83 C ATOM 505 O LYS B 66 10.594 -13.479 19.555 1.00 0.83 O ATOM 506 CB LYS B 66 9.389 -12.446 22.434 1.00 0.83 C ATOM 511 N TRP B 67 10.213 -11.277 19.660 1.00 0.83 N ATOM 512 CA TRP B 67 10.060 -11.125 18.239 1.00 0.83 C ATOM 513 C TRP B 67 11.334 -11.404 17.436 1.00 0.83 C ATOM 514 O TRP B 67 11.314 -12.058 16.398 1.00 0.83 O ATOM 515 CB TRP B 67 9.525 -9.715 17.977 1.00 0.83 C ATOM 525 N LEU B 68 12.498 -10.938 17.928 1.00 0.86 N ATOM 526 CA LEU B 68 13.791 -11.268 17.361 1.00 0.86 C ATOM 527 C LEU B 68 14.120 -12.755 17.413 1.00 0.86 C ATOM 528 O LEU B 68 14.625 -13.329 16.451 1.00 0.86 O ATOM 529 CB LEU B 68 14.889 -10.464 18.075 1.00 0.86 C ATOM 533 N GLY B 69 13.789 -13.429 18.537 1.00 0.87 N ATOM 534 CA GLY B 69 13.886 -14.883 18.641 1.00 0.87 C ATOM 535 C GLY B 69 12.993 -15.634 17.678 1.00 0.87 C ATOM 536 O GLY B 69 13.413 -16.625 17.098 1.00 0.87 O ATOM 537 N ALA B 70 11.776 -15.126 17.406 1.00 0.87 N ATOM 538 CA ALA B 70 10.906 -15.646 16.370 1.00 0.87 C ATOM 539 C ALA B 70 11.492 -15.516 14.956 1.00 0.87 C ATOM 540 O ALA B 70 11.386 -16.417 14.129 1.00 0.87 O ATOM 541 CB ALA B 70 9.521 -14.975 16.482 1.00 0.87 C ATOM 542 N PHE B 71 12.180 -14.396 14.633 1.00 0.84 N ATOM 543 CA PHE B 71 12.973 -14.289 13.411 1.00 0.84 C ATOM 544 C PHE B 71 14.103 -15.305 13.338 1.00 0.84 C ATOM 545 O PHE B 71 14.319 -15.916 12.295 1.00 0.84 O ATOM 546 CB PHE B 71 13.583 -12.884 13.220 1.00 0.84 C ATOM 553 N SER B 72 14.814 -15.534 14.463 1.00 0.83 N ATOM 554 CA SER B 72 15.831 -16.576 14.602 1.00 0.83 C ATOM 555 C SER B 72 15.290 -17.971 14.321 1.00 0.83 C ATOM 556 O SER B 72 15.929 -18.743 13.609 1.00 0.83 O ATOM 557 CB SER B 72 16.517 -16.630 15.996 1.00 0.83 C ATOM 559 N ASP B 73 14.072 -18.302 14.806 1.00 0.80 N ATOM 560 CA ASP B 73 13.340 -19.495 14.417 1.00 0.80 C ATOM 561 C ASP B 73 13.106 -19.545 12.904 1.00 0.80 C ATOM 562 O ASP B 73 13.367 -20.543 12.245 1.00 0.80 O ATOM 563 CB ASP B 73 11.982 -19.598 15.169 1.00 0.80 C ATOM 567 N GLY B 74 12.691 -18.432 12.259 1.00 0.83 N ATOM 568 CA GLY B 74 12.529 -18.425 10.806 1.00 0.83 C ATOM 569 C GLY B 74 13.795 -18.655 10.000 1.00 0.83 C ATOM 570 O GLY B 74 13.761 -19.295 8.953 1.00 0.83 O ATOM 571 N LEU B 75 14.955 -18.187 10.499 1.00 0.81 N ATOM 572 CA LEU B 75 16.286 -18.462 9.970 1.00 0.81 C ATOM 573 C LEU B 75 16.691 -19.932 10.021 1.00 0.81 C ATOM 574 O LEU B 75 17.369 -20.432 9.125 1.00 0.81 O ATOM 575 CB LEU B 75 17.371 -17.613 10.678 1.00 0.81 C ATOM 579 N ALA B 76 16.284 -20.665 11.071 1.00 0.79 N ATOM 580 CA ALA B 76 16.614 -22.061 11.246 1.00 0.79 C ATOM 581 C ALA B 76 15.670 -22.987 10.472 1.00 0.79 C ATOM 582 O ALA B 76 15.933 -24.180 10.307 1.00 0.79 O ATOM 583 CB ALA B 76 16.568 -22.361 12.756 1.00 0.79 C ATOM 584 N HIS B 77 14.564 -22.434 9.928 1.00 0.74 N ATOM 585 CA HIS B 77 13.486 -23.194 9.328 1.00 0.74 C ATOM 586 C HIS B 77 13.008 -22.533 8.035 1.00 0.74 C ATOM 587 O HIS B 77 11.812 -22.482 7.743 1.00 0.74 O ATOM 588 CB HIS B 77 12.292 -23.335 10.306 1.00 0.74 C ATOM 594 N LEU B 78 13.941 -22.041 7.187 1.00 0.76 N ATOM 595 CA LEU B 78 13.676 -21.312 5.945 1.00 0.76 C ATOM 596 C LEU B 78 12.809 -22.047 4.924 1.00 0.76 C ATOM 597 O LEU B 78 11.979 -21.443 4.234 1.00 0.76 O ATOM 598 CB LEU B 78 14.992 -20.865 5.262 1.00 0.76 C ATOM 602 N ASP B 79 12.959 -23.380 4.833 1.00 0.74 N ATOM 603 CA ASP B 79 12.226 -24.253 3.942 1.00 0.74 C ATOM 604 C ASP B 79 10.829 -24.586 4.476 1.00 0.74 C ATOM 605 O ASP B 79 9.959 -25.050 3.741 1.00 0.74 O ATOM 606 CB ASP B 79 13.084 -25.508 3.647 1.00 0.74 C ATOM 610 N ASN B 80 10.527 -24.277 5.762 1.00 0.79 N ATOM 611 CA ASN B 80 9.217 -24.548 6.331 1.00 0.79 C ATOM 612 C ASN B 80 8.699 -23.358 7.121 1.00 0.79 C ATOM 613 O ASN B 80 8.109 -23.500 8.189 1.00 0.79 O ATOM 614 CB ASN B 80 9.166 -25.875 7.153 1.00 0.79 C ATOM 618 N LEU B 81 8.812 -22.133 6.579 1.00 0.84 N ATOM 619 CA LEU B 81 8.321 -20.945 7.250 1.00 0.84 C ATOM 620 C LEU B 81 6.832 -20.987 7.600 1.00 0.84 C ATOM 621 O LEU B 81 6.420 -20.632 8.697 1.00 0.84 O ATOM 622 CB LEU B 81 8.636 -19.685 6.415 1.00 0.84 C ATOM 626 N LYS B 82 5.979 -21.492 6.687 1.00 0.81 N ATOM 627 CA LYS B 82 4.550 -21.609 6.915 1.00 0.81 C ATOM 628 C LYS B 82 4.141 -22.509 8.070 1.00 0.81 C ATOM 629 O LYS B 82 3.125 -22.252 8.716 1.00 0.81 O ATOM 630 CB LYS B 82 3.828 -22.115 5.653 1.00 0.81 C ATOM 635 N GLY B 83 4.908 -23.594 8.319 1.00 0.86 N ATOM 636 CA GLY B 83 4.710 -24.490 9.451 1.00 0.86 C ATOM 637 C GLY B 83 5.206 -23.885 10.738 1.00 0.86 C ATOM 638 O GLY B 83 4.509 -23.929 11.747 1.00 0.86 O ATOM 639 N THR B 84 6.392 -23.241 10.722 1.00 0.85 N ATOM 640 CA THR B 84 6.978 -22.554 11.879 1.00 0.85 C ATOM 641 C THR B 84 6.118 -21.424 12.419 1.00 0.85 C ATOM 642 O THR B 84 5.910 -21.283 13.624 1.00 0.85 O ATOM 643 CB THR B 84 8.357 -21.980 11.565 1.00 0.85 C ATOM 646 N PHE B 85 5.541 -20.598 11.524 1.00 0.85 N ATOM 647 CA PHE B 85 4.767 -19.435 11.907 1.00 0.85 C ATOM 648 C PHE B 85 3.259 -19.654 11.842 1.00 0.85 C ATOM 649 O PHE B 85 2.496 -18.703 11.995 1.00 0.85 O ATOM 650 CB PHE B 85 5.123 -18.226 11.007 1.00 0.85 C ATOM 657 N ALA B 86 2.749 -20.893 11.638 1.00 0.87 N ATOM 658 CA ALA B 86 1.316 -21.127 11.524 1.00 0.87 C ATOM 659 C ALA B 86 0.499 -20.713 12.752 1.00 0.87 C ATOM 660 O ALA B 86 -0.493 -20.001 12.622 1.00 0.87 O ATOM 661 CB ALA B 86 1.032 -22.614 11.217 1.00 0.87 C ATOM 662 N THR B 87 0.954 -21.102 13.957 1.00 0.84 N ATOM 663 CA THR B 87 0.390 -20.734 15.259 1.00 0.84 C ATOM 664 C THR B 87 0.444 -19.247 15.530 1.00 0.84 C ATOM 665 O THR B 87 -0.506 -18.636 16.011 1.00 0.84 O ATOM 666 CB THR B 87 1.119 -21.444 16.393 1.00 0.84 C ATOM 669 N LEU B 88 1.577 -18.593 15.202 1.00 0.86 N ATOM 670 CA LEU B 88 1.692 -17.152 15.293 1.00 0.86 C ATOM 671 C LEU B 88 0.745 -16.441 14.330 1.00 0.86 C ATOM 672 O LEU B 88 0.018 -15.550 14.722 1.00 0.86 O ATOM 673 CB LEU B 88 3.163 -16.707 15.108 1.00 0.86 C ATOM 677 N SER B 89 0.643 -16.895 13.066 1.00 0.85 N ATOM 678 CA SER B 89 -0.276 -16.378 12.049 1.00 0.85 C ATOM 679 C SER B 89 -1.728 -16.383 12.514 1.00 0.85 C ATOM 680 O SER B 89 -2.432 -15.384 12.389 1.00 0.85 O ATOM 681 CB SER B 89 -0.095 -17.237 10.757 1.00 0.85 C ATOM 683 N GLU B 90 -2.162 -17.487 13.165 1.00 0.77 N ATOM 684 CA GLU B 90 -3.451 -17.607 13.831 1.00 0.77 C ATOM 685 C GLU B 90 -3.658 -16.587 14.948 1.00 0.77 C ATOM 686 O GLU B 90 -4.655 -15.872 14.989 1.00 0.77 O ATOM 687 CB GLU B 90 -3.556 -19.033 14.407 1.00 0.77 C ATOM 692 N LEU B 91 -2.658 -16.415 15.842 1.00 0.82 N ATOM 693 CA LEU B 91 -2.684 -15.421 16.903 1.00 0.82 C ATOM 694 C LEU B 91 -2.807 -13.991 16.397 1.00 0.82 C ATOM 695 O LEU B 91 -3.656 -13.222 16.850 1.00 0.82 O ATOM 696 CB LEU B 91 -1.365 -15.504 17.713 1.00 0.82 C ATOM 700 N HIS B 92 -1.965 -13.608 15.419 1.00 0.79 N ATOM 701 CA HIS B 92 -1.997 -12.292 14.813 1.00 0.79 C ATOM 702 C HIS B 92 -3.286 -11.982 14.057 1.00 0.79 C ATOM 703 O HIS B 92 -3.741 -10.842 14.096 1.00 0.79 O ATOM 704 CB HIS B 92 -0.744 -11.952 13.969 1.00 0.79 C ATOM 710 N CYS B 93 -3.907 -12.967 13.368 1.00 0.83 N ATOM 711 CA CYS B 93 -5.168 -12.761 12.672 1.00 0.83 C ATOM 712 C CYS B 93 -6.345 -12.787 13.635 1.00 0.83 C ATOM 713 O CYS B 93 -6.980 -11.764 13.873 1.00 0.83 O ATOM 714 CB CYS B 93 -5.335 -13.853 11.561 1.00 0.83 C ATOM 716 N ASP B 94 -6.628 -13.938 14.271 1.00 0.74 N ATOM 717 CA ASP B 94 -7.890 -14.172 14.947 1.00 0.74 C ATOM 718 C ASP B 94 -8.048 -13.407 16.249 1.00 0.74 C ATOM 719 O ASP B 94 -9.113 -12.885 16.582 1.00 0.74 O ATOM 720 CB ASP B 94 -8.060 -15.687 15.206 1.00 0.74 C ATOM 724 N LYS B 95 -6.962 -13.351 17.042 1.00 0.72 N ATOM 725 CA LYS B 95 -6.963 -12.681 18.322 1.00 0.72 C ATOM 726 C LYS B 95 -6.572 -11.218 18.240 1.00 0.72 C ATOM 727 O LYS B 95 -7.195 -10.366 18.869 1.00 0.72 O ATOM 728 CB LYS B 95 -6.016 -13.393 19.314 1.00 0.72 C ATOM 733 N LEU B 96 -5.496 -10.892 17.497 1.00 0.78 N ATOM 734 CA LEU B 96 -4.951 -9.549 17.519 1.00 0.78 C ATOM 735 C LEU B 96 -5.471 -8.660 16.395 1.00 0.78 C ATOM 736 O LEU B 96 -5.436 -7.439 16.516 1.00 0.78 O ATOM 737 CB LEU B 96 -3.402 -9.608 17.435 1.00 0.78 C ATOM 741 N HIS B 97 -5.985 -9.235 15.286 1.00 0.74 N ATOM 742 CA HIS B 97 -6.472 -8.508 14.119 1.00 0.74 C ATOM 743 C HIS B 97 -5.449 -7.564 13.484 1.00 0.74 C ATOM 744 O HIS B 97 -5.757 -6.428 13.122 1.00 0.74 O ATOM 745 CB HIS B 97 -7.800 -7.761 14.398 1.00 0.74 C ATOM 751 N VAL B 98 -4.184 -8.007 13.323 1.00 0.83 N ATOM 752 CA VAL B 98 -3.126 -7.165 12.777 1.00 0.83 C ATOM 753 C VAL B 98 -3.212 -7.195 11.266 1.00 0.83 C ATOM 754 O VAL B 98 -3.157 -8.257 10.664 1.00 0.83 O ATOM 755 CB VAL B 98 -1.724 -7.605 13.221 1.00 0.83 C ATOM 758 N ASP B 99 -3.359 -6.050 10.567 1.00 0.83 N ATOM 759 CA ASP B 99 -3.348 -6.095 9.113 1.00 0.83 C ATOM 760 C ASP B 99 -2.025 -6.689 8.523 1.00 0.83 C ATOM 761 O ASP B 99 -0.954 -6.298 9.007 1.00 0.83 O ATOM 762 CB ASP B 99 -3.686 -4.699 8.540 1.00 0.83 C ATOM 766 N PRO B 100 -2.023 -7.600 7.516 1.00 0.86 N ATOM 767 CA PRO B 100 -0.820 -8.259 7.014 1.00 0.86 C ATOM 768 C PRO B 100 0.267 -7.346 6.495 1.00 0.86 C ATOM 769 O PRO B 100 1.434 -7.745 6.506 1.00 0.86 O ATOM 770 CB PRO B 100 -1.317 -9.193 5.901 1.00 0.86 C ATOM 773 N GLU B 101 -0.076 -6.127 6.030 1.00 0.83 N ATOM 774 CA GLU B 101 0.867 -5.150 5.508 1.00 0.83 C ATOM 775 C GLU B 101 1.908 -4.757 6.554 1.00 0.83 C ATOM 776 O GLU B 101 3.096 -4.590 6.281 1.00 0.83 O ATOM 777 CB GLU B 101 0.109 -3.909 4.979 1.00 0.83 C ATOM 782 N ASN B 102 1.485 -4.690 7.835 1.00 0.88 N ATOM 783 CA ASN B 102 2.338 -4.371 8.967 1.00 0.88 C ATOM 784 C ASN B 102 3.480 -5.367 9.193 1.00 0.88 C ATOM 785 O ASN B 102 4.530 -5.006 9.727 1.00 0.88 O ATOM 786 CB ASN B 102 1.532 -4.213 10.277 1.00 0.88 C ATOM 790 N PHE B 103 3.325 -6.647 8.779 1.00 0.87 N ATOM 791 CA PHE B 103 4.393 -7.639 8.845 1.00 0.87 C ATOM 792 C PHE B 103 5.563 -7.279 7.948 1.00 0.87 C ATOM 793 O PHE B 103 6.729 -7.384 8.326 1.00 0.87 O ATOM 794 CB PHE B 103 3.912 -9.064 8.472 1.00 0.87 C ATOM 801 N ARG B 104 5.248 -6.788 6.732 1.00 0.82 N ATOM 802 CA ARG B 104 6.218 -6.273 5.792 1.00 0.82 C ATOM 803 C ARG B 104 6.954 -5.054 6.327 1.00 0.82 C ATOM 804 O ARG B 104 8.175 -4.942 6.218 1.00 0.82 O ATOM 805 CB ARG B 104 5.529 -5.940 4.451 1.00 0.82 C ATOM 812 N LEU B 105 6.213 -4.130 6.975 1.00 0.89 N ATOM 813 CA LEU B 105 6.782 -2.953 7.604 1.00 0.89 C ATOM 814 C LEU B 105 7.781 -3.268 8.696 1.00 0.89 C ATOM 815 O LEU B 105 8.877 -2.717 8.724 1.00 0.89 O ATOM 816 CB LEU B 105 5.681 -2.054 8.206 1.00 0.89 C ATOM 820 N LEU B 106 7.453 -4.205 9.598 1.00 0.90 N ATOM 821 CA LEU B 106 8.361 -4.626 10.643 1.00 0.90 C ATOM 822 C LEU B 106 9.609 -5.335 10.146 1.00 0.90 C ATOM 823 O LEU B 106 10.716 -5.077 10.615 1.00 0.90 O ATOM 824 CB LEU B 106 7.594 -5.481 11.647 1.00 0.90 C ATOM 828 N GLY B 107 9.463 -6.220 9.137 1.00 0.91 N ATOM 829 CA GLY B 107 10.578 -6.778 8.373 1.00 0.91 C ATOM 830 C GLY B 107 11.567 -5.766 7.831 1.00 0.91 C ATOM 831 O GLY B 107 12.769 -5.861 8.060 1.00 0.91 O ATOM 832 N ASN B 108 11.069 -4.740 7.118 1.00 0.88 N ATOM 833 CA ASN B 108 11.869 -3.628 6.627 1.00 0.88 C ATOM 834 C ASN B 108 12.467 -2.755 7.733 1.00 0.88 C ATOM 835 O ASN B 108 13.604 -2.303 7.632 1.00 0.88 O ATOM 836 CB ASN B 108 11.063 -2.770 5.624 1.00 0.88 C ATOM 840 N VAL B 109 11.740 -2.506 8.842 1.00 0.91 N ATOM 841 CA VAL B 109 12.298 -1.836 10.014 1.00 0.91 C ATOM 842 C VAL B 109 13.453 -2.599 10.636 1.00 0.91 C ATOM 843 O VAL B 109 14.479 -2.015 10.980 1.00 0.91 O ATOM 844 CB VAL B 109 11.246 -1.542 11.073 1.00 0.91 C ATOM 847 N LEU B 110 13.342 -3.938 10.748 1.00 0.89 N ATOM 848 CA LEU B 110 14.426 -4.790 11.200 1.00 0.89 C ATOM 849 C LEU B 110 15.667 -4.682 10.315 1.00 0.89 C ATOM 850 O LEU B 110 16.781 -4.558 10.816 1.00 0.89 O ATOM 851 CB LEU B 110 13.947 -6.256 11.298 1.00 0.89 C ATOM 855 N VAL B 111 15.498 -4.642 8.975 1.00 0.90 N ATOM 856 CA VAL B 111 16.574 -4.376 8.022 1.00 0.90 C ATOM 857 C VAL B 111 17.264 -3.032 8.270 1.00 0.90 C ATOM 858 O VAL B 111 18.491 -2.942 8.312 1.00 0.90 O ATOM 859 CB VAL B 111 16.045 -4.443 6.591 1.00 0.90 C ATOM 862 N CYS B 112 16.486 -1.957 8.512 1.00 0.89 N ATOM 863 CA CYS B 112 17.000 -0.650 8.899 1.00 0.89 C ATOM 864 C CYS B 112 17.773 -0.650 10.222 1.00 0.89 C ATOM 865 O CYS B 112 18.798 0.015 10.351 1.00 0.89 O ATOM 866 CB CYS B 112 15.870 0.413 8.949 1.00 0.89 C ATOM 868 N VAL B 113 17.323 -1.408 11.245 1.00 0.90 N ATOM 869 CA VAL B 113 18.080 -1.643 12.476 1.00 0.90 C ATOM 870 C VAL B 113 19.388 -2.390 12.246 1.00 0.90 C ATOM 871 O VAL B 113 20.436 -2.004 12.760 1.00 0.90 O ATOM 872 CB VAL B 113 17.252 -2.364 13.529 1.00 0.90 C ATOM 875 N LEU B 114 19.390 -3.455 11.416 1.00 0.88 N ATOM 876 CA LEU B 114 20.610 -4.153 11.039 1.00 0.88 C ATOM 877 C LEU B 114 21.601 -3.250 10.307 1.00 0.88 C ATOM 878 O LEU B 114 22.791 -3.231 10.617 1.00 0.88 O ATOM 879 CB LEU B 114 20.308 -5.398 10.171 1.00 0.88 C ATOM 883 N ALA B 115 21.124 -2.415 9.367 1.00 0.90 N ATOM 884 CA ALA B 115 21.930 -1.401 8.721 1.00 0.90 C ATOM 885 C ALA B 115 22.529 -0.372 9.687 1.00 0.90 C ATOM 886 O ALA B 115 23.708 -0.041 9.611 1.00 0.90 O ATOM 887 CB ALA B 115 21.072 -0.693 7.656 1.00 0.90 C ATOM 888 N HIS B 116 21.722 0.109 10.657 1.00 0.84 N ATOM 889 CA HIS B 116 22.129 1.016 11.724 1.00 0.84 C ATOM 890 C HIS B 116 23.216 0.449 12.641 1.00 0.84 C ATOM 891 O HIS B 116 24.204 1.111 12.940 1.00 0.84 O ATOM 892 CB HIS B 116 20.866 1.369 12.562 1.00 0.84 C ATOM 898 N HIS B 117 23.062 -0.819 13.083 1.00 0.85 N ATOM 899 CA HIS B 117 24.040 -1.537 13.893 1.00 0.85 C ATOM 900 C HIS B 117 25.348 -1.896 13.189 1.00 0.85 C ATOM 901 O HIS B 117 26.427 -1.722 13.748 1.00 0.85 O ATOM 902 CB HIS B 117 23.425 -2.829 14.494 1.00 0.85 C ATOM 908 N PHE B 118 25.296 -2.412 11.942 1.00 0.87 N ATOM 909 CA PHE B 118 26.477 -2.957 11.289 1.00 0.87 C ATOM 910 C PHE B 118 27.120 -2.013 10.276 1.00 0.87 C ATOM 911 O PHE B 118 28.236 -2.244 9.812 1.00 0.87 O ATOM 912 CB PHE B 118 26.098 -4.277 10.572 1.00 0.87 C ATOM 919 N GLY B 119 26.478 -0.882 9.920 1.00 0.88 N ATOM 920 CA GLY B 119 27.032 0.087 8.975 1.00 0.88 C ATOM 921 C GLY B 119 27.454 -0.471 7.628 1.00 0.88 C ATOM 922 O GLY B 119 26.652 -1.016 6.877 1.00 0.88 O ATOM 923 N LYS B 120 28.754 -0.345 7.277 1.00 0.79 N ATOM 924 CA LYS B 120 29.288 -0.781 5.992 1.00 0.79 C ATOM 925 C LYS B 120 29.356 -2.298 5.811 1.00 0.79 C ATOM 926 O LYS B 120 29.405 -2.787 4.684 1.00 0.79 O ATOM 927 CB LYS B 120 30.692 -0.170 5.737 1.00 0.79 C ATOM 932 N GLU B 121 29.332 -3.072 6.923 1.00 0.80 N ATOM 933 CA GLU B 121 29.213 -4.523 6.936 1.00 0.80 C ATOM 934 C GLU B 121 27.863 -4.986 6.399 1.00 0.80 C ATOM 935 O GLU B 121 27.743 -6.052 5.793 1.00 0.80 O ATOM 936 CB GLU B 121 29.425 -5.111 8.364 1.00 0.80 C ATOM 941 N PHE B 122 26.798 -4.175 6.581 1.00 0.86 N ATOM 942 CA PHE B 122 25.501 -4.421 5.987 1.00 0.86 C ATOM 943 C PHE B 122 25.516 -4.002 4.515 1.00 0.86 C ATOM 944 O PHE B 122 24.936 -2.999 4.106 1.00 0.86 O ATOM 945 CB PHE B 122 24.392 -3.712 6.800 1.00 0.86 C ATOM 952 N THR B 123 26.252 -4.767 3.687 1.00 0.82 N ATOM 953 CA THR B 123 26.443 -4.547 2.257 1.00 0.82 C ATOM 954 C THR B 123 25.154 -4.666 1.434 1.00 0.82 C ATOM 955 O THR B 123 24.249 -5.385 1.858 1.00 0.82 O ATOM 956 CB THR B 123 27.524 -5.447 1.639 1.00 0.82 C ATOM 959 N PRO B 124 24.973 -4.045 0.259 1.00 0.81 N ATOM 960 CA PRO B 124 23.938 -4.441 -0.705 1.00 0.81 C ATOM 961 C PRO B 124 23.737 -5.959 -0.936 1.00 0.81 C ATOM 962 O PRO B 124 22.575 -6.353 -0.822 1.00 0.81 O ATOM 963 CB PRO B 124 24.203 -3.570 -1.958 1.00 0.81 C ATOM 966 N PRO B 125 24.707 -6.851 -1.206 1.00 0.80 N ATOM 967 CA PRO B 125 24.531 -8.306 -1.109 1.00 0.80 C ATOM 968 C PRO B 125 23.927 -8.852 0.182 1.00 0.80 C ATOM 969 O PRO B 125 23.028 -9.689 0.109 1.00 0.80 O ATOM 970 CB PRO B 125 25.923 -8.907 -1.368 1.00 0.80 C ATOM 973 N VAL B 126 24.409 -8.424 1.375 1.00 0.84 N ATOM 974 CA VAL B 126 23.866 -8.857 2.664 1.00 0.84 C ATOM 975 C VAL B 126 22.423 -8.416 2.805 1.00 0.84 C ATOM 976 O VAL B 126 21.549 -9.210 3.149 1.00 0.84 O ATOM 977 CB VAL B 126 24.687 -8.356 3.858 1.00 0.84 C ATOM 980 N GLN B 127 22.112 -7.150 2.455 1.00 0.81 N ATOM 981 CA GLN B 127 20.749 -6.662 2.475 1.00 0.81 C ATOM 982 C GLN B 127 19.809 -7.461 1.580 1.00 0.81 C ATOM 983 O GLN B 127 18.741 -7.877 2.021 1.00 0.81 O ATOM 984 CB GLN B 127 20.654 -5.174 2.061 1.00 0.81 C ATOM 989 N ALA B 128 20.203 -7.758 0.324 1.00 0.86 N ATOM 990 CA ALA B 128 19.395 -8.509 -0.619 1.00 0.86 C ATOM 991 C ALA B 128 18.990 -9.900 -0.118 1.00 0.86 C ATOM 992 O ALA B 128 17.840 -10.318 -0.258 1.00 0.86 O ATOM 993 CB ALA B 128 20.165 -8.623 -1.951 1.00 0.86 C ATOM 994 N ALA B 129 19.930 -10.616 0.534 1.00 0.89 N ATOM 995 CA ALA B 129 19.687 -11.866 1.224 1.00 0.89 C ATOM 996 C ALA B 129 18.706 -11.748 2.401 1.00 0.89 C ATOM 997 O ALA B 129 17.766 -12.530 2.532 1.00 0.89 O ATOM 998 CB ALA B 129 21.048 -12.410 1.699 1.00 0.89 C ATOM 999 N TYR B 130 18.862 -10.712 3.259 1.00 0.86 N ATOM 1000 CA TYR B 130 17.938 -10.389 4.342 1.00 0.86 C ATOM 1001 C TYR B 130 16.535 -10.021 3.879 1.00 0.86 C ATOM 1002 O TYR B 130 15.553 -10.396 4.516 1.00 0.86 O ATOM 1003 CB TYR B 130 18.482 -9.285 5.281 1.00 0.86 C ATOM 1011 N GLN B 131 16.394 -9.306 2.744 1.00 0.83 N ATOM 1012 CA GLN B 131 15.100 -8.981 2.155 1.00 0.83 C ATOM 1013 C GLN B 131 14.270 -10.216 1.808 1.00 0.83 C ATOM 1014 O GLN B 131 13.066 -10.252 2.054 1.00 0.83 O ATOM 1015 CB GLN B 131 15.210 -8.064 0.911 1.00 0.83 C ATOM 1020 N LYS B 132 14.910 -11.277 1.273 1.00 0.82 N ATOM 1021 CA LYS B 132 14.288 -12.572 1.047 1.00 0.82 C ATOM 1022 C LYS B 132 13.807 -13.248 2.324 1.00 0.82 C ATOM 1023 O LYS B 132 12.713 -13.812 2.371 1.00 0.82 O ATOM 1024 CB LYS B 132 15.248 -13.519 0.293 1.00 0.82 C ATOM 1029 N VAL B 133 14.612 -13.185 3.406 1.00 0.87 N ATOM 1030 CA VAL B 133 14.226 -13.690 4.717 1.00 0.87 C ATOM 1031 C VAL B 133 13.012 -12.973 5.298 1.00 0.87 C ATOM 1032 O VAL B 133 12.019 -13.606 5.654 1.00 0.87 O ATOM 1033 CB VAL B 133 15.381 -13.583 5.712 1.00 0.87 C ATOM 1036 N VAL B 134 13.025 -11.623 5.359 1.00 0.88 N ATOM 1037 CA VAL B 134 11.927 -10.853 5.934 1.00 0.88 C ATOM 1038 C VAL B 134 10.625 -10.958 5.149 1.00 0.88 C ATOM 1039 O VAL B 134 9.548 -11.077 5.731 1.00 0.88 O ATOM 1040 CB VAL B 134 12.273 -9.403 6.272 1.00 0.88 C ATOM 1043 N ALA B 135 10.692 -10.981 3.798 1.00 0.90 N ATOM 1044 CA ALA B 135 9.563 -11.242 2.928 1.00 0.90 C ATOM 1045 C ALA B 135 8.959 -12.624 3.159 1.00 0.90 C ATOM 1046 O ALA B 135 7.742 -12.799 3.197 1.00 0.90 O ATOM 1047 CB ALA B 135 9.997 -11.082 1.456 1.00 0.90 C ATOM 1048 N GLY B 136 9.818 -13.645 3.376 1.00 0.88 N ATOM 1049 CA GLY B 136 9.374 -14.996 3.686 1.00 0.88 C ATOM 1050 C GLY B 136 8.691 -15.145 5.026 1.00 0.88 C ATOM 1051 O GLY B 136 7.696 -15.862 5.132 1.00 0.88 O ATOM 1052 N VAL B 137 9.202 -14.467 6.075 1.00 0.87 N ATOM 1053 CA VAL B 137 8.574 -14.382 7.392 1.00 0.87 C ATOM 1054 C VAL B 137 7.227 -13.663 7.335 1.00 0.87 C ATOM 1055 O VAL B 137 6.223 -14.160 7.843 1.00 0.87 O ATOM 1056 CB VAL B 137 9.509 -13.724 8.411 1.00 0.87 C ATOM 1059 N ALA B 138 7.152 -12.503 6.642 1.00 0.89 N ATOM 1060 CA ALA B 138 5.925 -11.749 6.463 1.00 0.89 C ATOM 1061 C ALA B 138 4.827 -12.520 5.730 1.00 0.89 C ATOM 1062 O ALA B 138 3.672 -12.533 6.148 1.00 0.89 O ATOM 1063 CB ALA B 138 6.244 -10.422 5.741 1.00 0.89 C ATOM 1064 N ASN B 139 5.186 -13.240 4.648 1.00 0.82 N ATOM 1065 CA ASN B 139 4.305 -14.149 3.941 1.00 0.82 C ATOM 1066 C ASN B 139 3.804 -15.308 4.817 1.00 0.82 C ATOM 1067 O ASN B 139 2.626 -15.650 4.811 1.00 0.82 O ATOM 1068 CB ASN B 139 5.062 -14.660 2.688 1.00 0.82 C ATOM 1072 N ALA B 140 4.685 -15.937 5.622 1.00 0.87 N ATOM 1073 CA ALA B 140 4.325 -17.023 6.516 1.00 0.87 C ATOM 1074 C ALA B 140 3.321 -16.638 7.610 1.00 0.87 C ATOM 1075 O ALA B 140 2.341 -17.345 7.863 1.00 0.87 O ATOM 1076 CB ALA B 140 5.616 -17.590 7.125 1.00 0.87 C ATOM 1077 N LEU B 141 3.520 -15.455 8.224 1.00 0.86 N ATOM 1078 CA LEU B 141 2.624 -14.844 9.194 1.00 0.86 C ATOM 1079 C LEU B 141 1.340 -14.308 8.596 1.00 0.86 C ATOM 1080 O LEU B 141 0.379 -14.079 9.319 1.00 0.86 O ATOM 1081 CB LEU B 141 3.319 -13.678 9.923 1.00 0.86 C ATOM 1085 N ALA B 142 1.268 -14.128 7.266 1.00 0.86 N ATOM 1086 CA ALA B 142 0.046 -13.742 6.609 1.00 0.86 C ATOM 1087 C ALA B 142 -0.741 -14.944 6.073 1.00 0.86 C ATOM 1088 O ALA B 142 -1.892 -14.805 5.678 1.00 0.86 O ATOM 1089 CB ALA B 142 0.389 -12.770 5.468 1.00 0.86 C ATOM 1090 N HIS B 143 -0.185 -16.179 6.122 1.00 0.77 N ATOM 1091 CA HIS B 143 -0.758 -17.360 5.470 1.00 0.77 C ATOM 1092 C HIS B 143 -2.121 -17.850 5.979 1.00 0.77 C ATOM 1093 O HIS B 143 -2.814 -18.570 5.265 1.00 0.77 O ATOM 1094 CB HIS B 143 0.242 -18.560 5.542 1.00 0.77 C ATOM 1100 N LYS B 144 -2.552 -17.530 7.227 1.00 0.74 N ATOM 1101 CA LYS B 144 -3.818 -17.996 7.790 1.00 0.74 C ATOM 1102 C LYS B 144 -4.853 -16.889 7.725 1.00 0.74 C ATOM 1103 O LYS B 144 -5.945 -17.000 8.281 1.00 0.74 O ATOM 1104 CB LYS B 144 -3.682 -18.448 9.274 1.00 0.74 C ATOM 1109 N TYR B 145 -4.518 -15.776 7.045 1.00 0.74 N ATOM 1110 CA TYR B 145 -5.473 -14.739 6.729 1.00 0.74 C ATOM 1111 C TYR B 145 -6.202 -15.058 5.438 1.00 0.74 C ATOM 1112 O TYR B 145 -7.269 -14.504 5.179 1.00 0.74 O ATOM 1113 CB TYR B 145 -4.780 -13.378 6.480 1.00 0.74 C ATOM 1121 N HIS B 146 -5.607 -15.926 4.598 1.00 0.57 N ATOM 1122 CA HIS B 146 -6.153 -16.314 3.315 1.00 0.57 C ATOM 1123 C HIS B 146 -6.890 -17.677 3.325 1.00 0.57 C ATOM 1124 O HIS B 146 -6.873 -18.390 4.363 1.00 0.57 O ATOM 1125 CB HIS B 146 -5.036 -16.463 2.263 1.00 0.57 C TER END

Sequence

MHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKWLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYH

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