USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 383 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 386 HIS : no HD1:sc= 0.939 K(o=0.95,f=-5.9!) USER MOD Set 1.2: B 211 TYR OH : rot -147:sc= 0.0117 USER MOD Set 2.1: A 385 ASN : amide:sc= -6.25! C(o=-11!,f=-21!) USER MOD Set 2.2: A 388 ASN : amide:sc= -4.41! C(o=-11!,f=-21!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.19) USER MOD Single : A 378 LYS NZ :NH3+ 171:sc= 1.79 (180deg=0.905!) USER MOD Single : A 381 THR OG1 : rot 48:sc= 0.128 USER MOD Single : A 382 TYR OH : rot -171:sc= 0.117 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 39:sc= 0.689 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.305 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0.00224 USER MOD Single : B 212 SER OG : rot 180:sc= 0.409 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 138:sc= -0.251 (180deg=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -15.810 -3.463 -2.997 1.00 15.00 N ATOM 2 CA PRO A 365 -14.647 -3.071 -2.175 1.00 15.00 C ATOM 3 C PRO A 365 -14.548 -1.555 -2.066 1.00 15.00 C ATOM 4 O PRO A 365 -14.318 -0.867 -3.060 1.00 15.00 O ATOM 5 CB PRO A 365 -13.381 -3.636 -2.803 1.00 15.00 C ATOM 6 CG PRO A 365 -13.890 -4.490 -3.910 1.00 15.00 C ATOM 7 CD PRO A 365 -15.254 -3.945 -4.274 1.00 15.00 C ATOM 0 HA PRO A 365 -14.770 -3.473 -1.169 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -12.730 -2.844 -3.174 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -12.801 -4.215 -2.084 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -13.217 -4.458 -4.767 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -13.958 -5.532 -3.597 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -15.178 -3.139 -5.004 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -15.885 -4.716 -4.716 1.00 15.00 H new ATOM 17 N GLY A 366 -14.743 -1.043 -0.862 1.00 15.00 N ATOM 18 CA GLY A 366 -14.688 0.386 -0.647 1.00 15.00 C ATOM 19 C GLY A 366 -13.281 0.877 -0.378 1.00 15.00 C ATOM 20 O GLY A 366 -12.447 0.142 0.157 1.00 15.00 O ATOM 0 H GLY A 366 -14.939 -1.594 -0.027 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.087 0.898 -1.523 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -15.328 0.649 0.195 1.00 15.00 H new ATOM 24 N LEU A 367 -13.017 2.113 -0.766 1.00 15.00 N ATOM 25 CA LEU A 367 -11.722 2.734 -0.541 1.00 15.00 C ATOM 26 C LEU A 367 -11.784 3.584 0.728 1.00 15.00 C ATOM 27 O LEU A 367 -12.618 4.486 0.833 1.00 15.00 O ATOM 28 CB LEU A 367 -11.345 3.597 -1.759 1.00 15.00 C ATOM 29 CG LEU A 367 -9.869 4.023 -1.871 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.575 4.532 -3.276 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.519 5.104 -0.856 1.00 15.00 C ATOM 0 H LEU A 367 -13.690 2.712 -1.244 1.00 15.00 H new ATOM 0 HA LEU A 367 -10.958 1.967 -0.412 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.610 3.047 -2.662 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -11.959 4.497 -1.742 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.257 3.146 -1.661 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.529 4.830 -3.343 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -9.774 3.741 -3.999 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.212 5.390 -3.493 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.470 5.379 -0.965 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.144 5.980 -1.028 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.692 4.727 0.152 1.00 15.00 H new ATOM 43 N PRO A 368 -10.915 3.309 1.709 1.00 15.00 N ATOM 44 CA PRO A 368 -10.839 4.096 2.932 1.00 15.00 C ATOM 45 C PRO A 368 -9.858 5.261 2.797 1.00 15.00 C ATOM 46 O PRO A 368 -8.749 5.104 2.283 1.00 15.00 O ATOM 47 CB PRO A 368 -10.336 3.080 3.954 1.00 15.00 C ATOM 48 CG PRO A 368 -9.530 2.090 3.171 1.00 15.00 C ATOM 49 CD PRO A 368 -9.966 2.183 1.726 1.00 15.00 C ATOM 0 HA PRO A 368 -11.790 4.556 3.200 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.729 3.562 4.720 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.167 2.593 4.465 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.465 2.305 3.264 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.686 1.081 3.554 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.119 2.366 1.065 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.438 1.259 1.392 1.00 15.00 H new ATOM 57 N SER A 369 -10.260 6.426 3.284 1.00 15.00 N ATOM 58 CA SER A 369 -9.487 7.640 3.081 1.00 15.00 C ATOM 59 C SER A 369 -8.192 7.589 3.885 1.00 15.00 C ATOM 60 O SER A 369 -8.198 7.339 5.092 1.00 15.00 O ATOM 61 CB SER A 369 -10.315 8.862 3.476 1.00 15.00 C ATOM 62 OG SER A 369 -9.753 10.054 2.952 1.00 15.00 O ATOM 0 H SER A 369 -11.117 6.555 3.822 1.00 15.00 H new ATOM 0 HA SER A 369 -9.231 7.719 2.025 1.00 15.00 H new ATOM 0 HB2 SER A 369 -11.335 8.747 3.110 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.371 8.930 4.562 1.00 15.00 H new ATOM 0 HG SER A 369 -10.303 10.820 3.218 1.00 15.00 H new ATOM 68 N GLY A 370 -7.084 7.833 3.201 1.00 15.00 N ATOM 69 CA GLY A 370 -5.783 7.724 3.822 1.00 15.00 C ATOM 70 C GLY A 370 -5.005 6.559 3.251 1.00 15.00 C ATOM 71 O GLY A 370 -3.792 6.448 3.441 1.00 15.00 O ATOM 0 H GLY A 370 -7.065 8.107 2.219 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.225 8.648 3.670 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -5.899 7.596 4.898 1.00 15.00 H new ATOM 75 N TRP A 371 -5.724 5.680 2.570 1.00 15.00 N ATOM 76 CA TRP A 371 -5.131 4.546 1.880 1.00 15.00 C ATOM 77 C TRP A 371 -5.021 4.852 0.393 1.00 15.00 C ATOM 78 O TRP A 371 -5.995 5.278 -0.227 1.00 15.00 O ATOM 79 CB TRP A 371 -5.997 3.296 2.072 1.00 15.00 C ATOM 80 CG TRP A 371 -5.986 2.724 3.463 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.505 3.281 4.604 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.440 1.457 3.852 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.318 2.432 5.668 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.667 1.307 5.233 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.782 0.433 3.163 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.257 0.177 5.937 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.374 -0.687 3.862 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.613 -0.809 5.236 1.00 15.00 C ATOM 0 H TRP A 371 -6.739 5.734 2.480 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.140 4.364 2.295 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.025 3.539 1.803 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.659 2.528 1.376 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -6.989 4.245 4.658 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.616 2.610 6.627 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.596 0.516 2.102 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.440 0.081 6.997 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.862 -1.482 3.340 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.283 -1.698 5.754 1.00 15.00 H new ATOM 99 N GLU A 372 -3.847 4.640 -0.183 1.00 15.00 N ATOM 100 CA GLU A 372 -3.683 4.827 -1.616 1.00 15.00 C ATOM 101 C GLU A 372 -3.395 3.497 -2.299 1.00 15.00 C ATOM 102 O GLU A 372 -2.407 2.825 -1.994 1.00 15.00 O ATOM 103 CB GLU A 372 -2.586 5.843 -1.942 1.00 15.00 C ATOM 104 CG GLU A 372 -2.750 7.180 -1.247 1.00 15.00 C ATOM 105 CD GLU A 372 -1.632 8.138 -1.590 1.00 15.00 C ATOM 106 OE1 GLU A 372 -0.607 8.140 -0.883 1.00 15.00 O ATOM 107 OE2 GLU A 372 -1.771 8.897 -2.569 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.006 4.343 0.311 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.622 5.227 -1.999 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.620 5.419 -1.666 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.566 6.006 -3.020 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.705 7.621 -1.531 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.778 7.027 -0.168 1.00 15.00 H new ATOM 114 N GLU A 373 -4.272 3.129 -3.223 1.00 15.00 N ATOM 115 CA GLU A 373 -4.157 1.870 -3.952 1.00 15.00 C ATOM 116 C GLU A 373 -3.333 2.109 -5.195 1.00 15.00 C ATOM 117 O GLU A 373 -3.852 2.587 -6.206 1.00 15.00 O ATOM 118 CB GLU A 373 -5.534 1.392 -4.375 1.00 15.00 C ATOM 119 CG GLU A 373 -6.610 1.836 -3.422 1.00 15.00 C ATOM 120 CD GLU A 373 -7.992 1.667 -4.012 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.179 2.033 -5.191 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.885 1.155 -3.313 1.00 15.00 O ATOM 0 H GLU A 373 -5.081 3.691 -3.489 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.690 1.121 -3.313 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.757 1.770 -5.373 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.535 0.304 -4.439 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.537 1.261 -2.499 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.453 2.882 -3.159 1.00 15.00 H new ATOM 129 N ARG A 374 -2.060 1.819 -5.128 1.00 15.00 N ATOM 130 CA ARG A 374 -1.169 2.258 -6.173 1.00 15.00 C ATOM 131 C ARG A 374 -0.445 1.097 -6.824 1.00 15.00 C ATOM 132 O ARG A 374 0.204 0.287 -6.160 1.00 15.00 O ATOM 133 CB ARG A 374 -0.221 3.297 -5.598 1.00 15.00 C ATOM 134 CG ARG A 374 -0.963 4.554 -5.156 1.00 15.00 C ATOM 135 CD ARG A 374 -0.072 5.486 -4.356 1.00 15.00 C ATOM 136 NE ARG A 374 1.174 5.811 -5.054 1.00 15.00 N ATOM 137 CZ ARG A 374 1.798 6.989 -4.960 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.249 7.985 -4.267 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.967 7.174 -5.564 1.00 15.00 N ATOM 0 H ARG A 374 -1.621 1.290 -4.375 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.745 2.719 -6.975 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.313 2.872 -4.748 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.527 3.560 -6.345 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.342 5.079 -6.033 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.827 4.273 -4.554 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.615 6.407 -4.142 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.163 5.024 -3.397 1.00 15.00 H new ATOM 0 HE ARG A 374 1.591 5.094 -5.648 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.349 7.850 -3.806 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.728 8.883 -4.197 1.00 15.00 H new ATOM 0 HH21 ARG A 374 3.389 6.416 -6.100 1.00 15.00 H new ATOM 0 HH22 ARG A 374 3.442 8.074 -5.491 1.00 15.00 H new ATOM 153 N LYS A 375 -0.589 1.029 -8.136 1.00 15.00 N ATOM 154 CA LYS A 375 -0.037 -0.051 -8.928 1.00 15.00 C ATOM 155 C LYS A 375 1.169 0.468 -9.693 1.00 15.00 C ATOM 156 O LYS A 375 1.041 1.341 -10.554 1.00 15.00 O ATOM 157 CB LYS A 375 -1.081 -0.606 -9.914 1.00 15.00 C ATOM 158 CG LYS A 375 -2.443 -0.919 -9.294 1.00 15.00 C ATOM 159 CD LYS A 375 -3.261 0.344 -9.055 1.00 15.00 C ATOM 160 CE LYS A 375 -4.617 0.044 -8.439 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.379 1.290 -8.159 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.095 1.726 -8.683 1.00 15.00 H new ATOM 0 HA LYS A 375 0.259 -0.861 -8.262 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.221 0.116 -10.719 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.686 -1.515 -10.367 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.995 -1.591 -9.951 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.300 -1.443 -8.349 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.706 1.015 -8.399 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.402 0.868 -10.001 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.191 -0.591 -9.114 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.481 -0.516 -7.514 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.369 1.052 -7.950 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.960 1.777 -7.341 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.341 1.914 -8.990 1.00 15.00 H new ATOM 175 N ASP A 376 2.333 -0.060 -9.375 1.00 15.00 N ATOM 176 CA ASP A 376 3.574 0.439 -9.947 1.00 15.00 C ATOM 177 C ASP A 376 3.908 -0.301 -11.240 1.00 15.00 C ATOM 178 O ASP A 376 3.581 -1.478 -11.385 1.00 15.00 O ATOM 179 CB ASP A 376 4.709 0.297 -8.939 1.00 15.00 C ATOM 180 CG ASP A 376 5.698 1.434 -9.043 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.422 1.508 -10.057 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.762 2.257 -8.112 1.00 15.00 O1- ATOM 0 H ASP A 376 2.449 -0.836 -8.723 1.00 15.00 H new ATOM 0 HA ASP A 376 3.448 1.495 -10.185 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.297 0.265 -7.930 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.225 -0.649 -9.103 1.00 15.00 H new ATOM 187 N ALA A 377 4.589 0.390 -12.152 1.00 15.00 N ATOM 188 CA ALA A 377 4.795 -0.089 -13.524 1.00 15.00 C ATOM 189 C ALA A 377 5.536 -1.425 -13.602 1.00 15.00 C ATOM 190 O ALA A 377 5.369 -2.167 -14.566 1.00 15.00 O ATOM 191 CB ALA A 377 5.537 0.959 -14.329 1.00 15.00 C ATOM 0 H ALA A 377 5.015 1.298 -11.964 1.00 15.00 H new ATOM 0 HA ALA A 377 3.804 -0.261 -13.943 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.687 0.598 -15.346 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.954 1.880 -14.353 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.505 1.155 -13.867 1.00 15.00 H new ATOM 197 N LYS A 378 6.348 -1.734 -12.594 1.00 15.00 N ATOM 198 CA LYS A 378 7.050 -3.021 -12.552 1.00 15.00 C ATOM 199 C LYS A 378 6.049 -4.152 -12.375 1.00 15.00 C ATOM 200 O LYS A 378 6.368 -5.325 -12.569 1.00 15.00 O ATOM 201 CB LYS A 378 8.073 -3.103 -11.415 1.00 15.00 C ATOM 202 CG LYS A 378 8.958 -1.884 -11.248 1.00 15.00 C ATOM 203 CD LYS A 378 8.281 -0.848 -10.377 1.00 15.00 C ATOM 204 CE LYS A 378 9.295 0.023 -9.655 1.00 15.00 C ATOM 205 NZ LYS A 378 8.657 0.817 -8.576 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.537 -1.120 -11.802 1.00 15.00 H new ATOM 0 HA LYS A 378 7.584 -3.112 -13.498 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.539 -3.274 -10.480 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.709 -3.972 -11.583 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.908 -2.177 -10.802 1.00 15.00 H new ATOM 0 HG3 LYS A 378 9.183 -1.455 -12.224 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.634 -0.222 -10.991 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.643 -1.346 -9.647 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.080 -0.604 -9.232 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.773 0.694 -10.368 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.392 1.282 -8.006 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.037 1.538 -8.996 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.094 0.188 -7.968 1.00 15.00 H new ATOM 219 N GLY A 379 4.843 -3.776 -11.995 1.00 15.00 N ATOM 220 CA GLY A 379 3.832 -4.725 -11.616 1.00 15.00 C ATOM 221 C GLY A 379 3.876 -5.018 -10.138 1.00 15.00 C ATOM 222 O GLY A 379 4.035 -6.161 -9.716 1.00 15.00 O ATOM 0 H GLY A 379 4.543 -2.802 -11.943 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.849 -4.337 -11.882 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.971 -5.650 -12.176 1.00 15.00 H new ATOM 226 N ARG A 380 3.747 -3.959 -9.349 1.00 15.00 N ATOM 227 CA ARG A 380 3.724 -4.072 -7.900 1.00 15.00 C ATOM 228 C ARG A 380 2.468 -3.398 -7.360 1.00 15.00 C ATOM 229 O ARG A 380 2.293 -2.187 -7.508 1.00 15.00 O ATOM 230 CB ARG A 380 4.973 -3.425 -7.282 1.00 15.00 C ATOM 231 CG ARG A 380 6.280 -3.886 -7.909 1.00 15.00 C ATOM 232 CD ARG A 380 6.470 -5.390 -7.783 1.00 15.00 C ATOM 233 NE ARG A 380 6.752 -5.809 -6.411 1.00 15.00 N ATOM 234 CZ ARG A 380 6.740 -7.081 -6.006 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.376 -8.050 -6.837 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.087 -7.394 -4.766 1.00 15.00 N ATOM 0 H ARG A 380 3.656 -3.004 -9.695 1.00 15.00 H new ATOM 0 HA ARG A 380 3.719 -5.128 -7.630 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.896 -2.342 -7.381 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.995 -3.647 -6.215 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.297 -3.605 -8.962 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.114 -3.373 -7.429 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.572 -5.897 -8.136 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.289 -5.704 -8.430 1.00 15.00 H new ATOM 0 HE ARG A 380 6.971 -5.088 -5.724 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.102 -7.825 -7.794 1.00 15.00 H new ATOM 0 HH12 ARG A 380 6.370 -9.019 -6.519 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.366 -6.661 -4.114 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.075 -8.368 -4.464 1.00 15.00 H new ATOM 250 N THR A 381 1.584 -4.184 -6.771 1.00 15.00 N ATOM 251 CA THR A 381 0.343 -3.662 -6.219 1.00 15.00 C ATOM 252 C THR A 381 0.400 -3.604 -4.697 1.00 15.00 C ATOM 253 O THR A 381 0.260 -4.626 -4.027 1.00 15.00 O ATOM 254 CB THR A 381 -0.852 -4.530 -6.651 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.511 -5.919 -6.527 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.263 -4.220 -8.085 1.00 15.00 C ATOM 0 H THR A 381 1.702 -5.191 -6.662 1.00 15.00 H new ATOM 0 HA THR A 381 0.213 -2.651 -6.606 1.00 15.00 H new ATOM 0 HB THR A 381 -1.696 -4.303 -6.000 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.110 -6.080 -5.648 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.109 -4.847 -8.365 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.548 -3.171 -8.163 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.426 -4.420 -8.755 1.00 15.00 H new ATOM 264 N TYR A 382 0.620 -2.414 -4.156 1.00 15.00 N ATOM 265 CA TYR A 382 0.703 -2.242 -2.717 1.00 15.00 C ATOM 266 C TYR A 382 -0.371 -1.283 -2.211 1.00 15.00 C ATOM 267 O TYR A 382 -0.539 -0.178 -2.735 1.00 15.00 O ATOM 268 CB TYR A 382 2.105 -1.758 -2.310 1.00 15.00 C ATOM 269 CG TYR A 382 2.658 -0.612 -3.142 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.334 0.710 -2.854 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.515 -0.856 -4.209 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.845 1.753 -3.606 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.033 0.182 -4.962 1.00 15.00 C ATOM 274 CZ TYR A 382 3.695 1.484 -4.658 1.00 15.00 C ATOM 275 OH TYR A 382 4.212 2.521 -5.406 1.00 15.00 O ATOM 0 H TYR A 382 0.744 -1.556 -4.693 1.00 15.00 H new ATOM 0 HA TYR A 382 0.526 -3.212 -2.252 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.076 -1.447 -1.266 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.796 -2.599 -2.374 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.672 0.926 -2.029 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.781 -1.874 -4.454 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.579 2.773 -3.370 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.700 -0.026 -5.785 1.00 15.00 H new ATOM 0 HH TYR A 382 4.674 2.159 -6.191 1.00 15.00 H new ATOM 285 N TYR A 383 -1.110 -1.725 -1.206 1.00 15.00 N ATOM 286 CA TYR A 383 -2.069 -0.868 -0.529 1.00 15.00 C ATOM 287 C TYR A 383 -1.382 -0.198 0.647 1.00 15.00 C ATOM 288 O TYR A 383 -0.971 -0.872 1.590 1.00 15.00 O ATOM 289 CB TYR A 383 -3.274 -1.675 -0.030 1.00 15.00 C ATOM 290 CG TYR A 383 -4.025 -2.408 -1.118 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.662 -3.696 -1.487 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.102 -1.818 -1.764 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.350 -4.375 -2.474 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.797 -2.490 -2.750 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.418 -3.768 -3.103 1.00 15.00 C ATOM 296 OH TYR A 383 -6.112 -4.443 -4.085 1.00 15.00 O ATOM 0 H TYR A 383 -1.063 -2.676 -0.840 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.432 -0.119 -1.233 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.931 -2.399 0.709 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.962 -1.001 0.480 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.829 -4.175 -0.995 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.402 -0.817 -1.491 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -4.054 -5.376 -2.752 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.634 -2.017 -3.242 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.835 -3.875 -4.424 1.00 15.00 H new ATOM 306 N VAL A 384 -1.218 1.110 0.580 1.00 15.00 N ATOM 307 CA VAL A 384 -0.514 1.833 1.628 1.00 15.00 C ATOM 308 C VAL A 384 -1.449 2.770 2.377 1.00 15.00 C ATOM 309 O VAL A 384 -2.402 3.296 1.805 1.00 15.00 O ATOM 310 CB VAL A 384 0.663 2.647 1.069 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.749 1.739 0.516 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.194 3.607 0.006 1.00 15.00 C ATOM 0 H VAL A 384 -1.560 1.693 -0.184 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.128 1.080 2.315 1.00 15.00 H new ATOM 0 HB VAL A 384 1.087 3.220 1.894 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.568 2.345 0.128 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.121 1.092 1.310 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.338 1.128 -0.287 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.045 4.172 -0.375 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.266 3.050 -0.810 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.536 4.294 0.433 1.00 15.00 H new ATOM 322 N ASN A 385 -1.167 2.983 3.651 1.00 15.00 N ATOM 323 CA ASN A 385 -1.992 3.846 4.479 1.00 15.00 C ATOM 324 C ASN A 385 -1.146 4.873 5.219 1.00 15.00 C ATOM 325 O ASN A 385 -0.228 4.511 5.957 1.00 15.00 O ATOM 326 CB ASN A 385 -2.775 3.016 5.491 1.00 15.00 C ATOM 327 CG ASN A 385 -3.651 3.870 6.389 1.00 15.00 C ATOM 328 OD1 ASN A 385 -3.839 3.570 7.562 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.220 4.934 5.842 1.00 15.00 N ATOM 0 H ASN A 385 -0.371 2.569 4.136 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.684 4.372 3.821 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.397 2.295 4.961 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.078 2.445 6.105 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.833 5.528 6.400 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.045 5.159 4.863 1.00 15.00 H new ATOM 336 N HIS A 386 -1.484 6.152 5.034 1.00 15.00 N ATOM 337 CA HIS A 386 -0.812 7.244 5.742 1.00 15.00 C ATOM 338 C HIS A 386 -1.247 7.286 7.202 1.00 15.00 C ATOM 339 O HIS A 386 -0.574 7.880 8.038 1.00 15.00 O ATOM 340 CB HIS A 386 -1.126 8.610 5.113 1.00 15.00 C ATOM 341 CG HIS A 386 -0.613 8.804 3.721 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.593 9.411 3.437 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.168 8.502 2.526 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.753 9.472 2.130 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.299 8.927 1.553 1.00 15.00 N ATOM 0 H HIS A 386 -2.221 6.457 4.398 1.00 15.00 H new ATOM 0 HA HIS A 386 0.258 7.051 5.668 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.207 8.749 5.107 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -0.707 9.390 5.749 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.119 8.016 2.367 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.604 9.897 1.618 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.444 8.836 0.547 1.00 15.00 H new ATOM 354 N ASN A 387 -2.388 6.670 7.494 1.00 15.00 N ATOM 355 CA ASN A 387 -2.966 6.735 8.833 1.00 15.00 C ATOM 356 C ASN A 387 -2.145 5.913 9.824 1.00 15.00 C ATOM 357 O ASN A 387 -1.587 6.449 10.780 1.00 15.00 O ATOM 358 CB ASN A 387 -4.418 6.251 8.826 1.00 15.00 C ATOM 359 CG ASN A 387 -5.069 6.326 10.198 1.00 15.00 C ATOM 360 OD1 ASN A 387 -4.730 7.182 11.015 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.007 5.429 10.455 1.00 15.00 N ATOM 0 H ASN A 387 -2.929 6.122 6.825 1.00 15.00 H new ATOM 0 HA ASN A 387 -2.948 7.778 9.149 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.994 6.852 8.122 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.452 5.222 8.468 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.480 5.430 11.359 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.258 4.737 9.749 1.00 15.00 H new ATOM 368 N ASN A 388 -2.071 4.611 9.581 1.00 15.00 N ATOM 369 CA ASN A 388 -1.323 3.709 10.451 1.00 15.00 C ATOM 370 C ASN A 388 0.135 3.591 10.016 1.00 15.00 C ATOM 371 O ASN A 388 0.958 3.053 10.758 1.00 15.00 O ATOM 372 CB ASN A 388 -1.972 2.317 10.528 1.00 15.00 C ATOM 373 CG ASN A 388 -2.199 1.666 9.176 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.528 1.976 8.195 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.144 0.740 9.122 1.00 15.00 N ATOM 0 H ASN A 388 -2.520 4.154 8.787 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.348 4.147 11.449 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.340 1.666 11.132 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.928 2.401 11.044 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.335 0.257 8.244 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.681 0.510 9.958 1.00 15.00 H new ATOM 382 N ARG A 389 0.431 4.049 8.791 1.00 15.00 N ATOM 383 CA ARG A 389 1.782 3.967 8.217 1.00 15.00 C ATOM 384 C ARG A 389 2.102 2.525 7.854 1.00 15.00 C ATOM 385 O ARG A 389 3.230 2.058 8.007 1.00 15.00 O ATOM 386 CB ARG A 389 2.827 4.519 9.192 1.00 15.00 C ATOM 387 CG ARG A 389 2.649 5.994 9.497 1.00 15.00 C ATOM 388 CD ARG A 389 3.583 6.445 10.603 1.00 15.00 C ATOM 389 NE ARG A 389 4.983 6.174 10.286 1.00 15.00 N ATOM 390 CZ ARG A 389 5.933 6.013 11.206 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.625 6.050 12.499 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 7.189 5.794 10.829 1.00 15.00 N ATOM 0 H ARG A 389 -0.255 4.484 8.174 1.00 15.00 H new ATOM 0 HA ARG A 389 1.812 4.577 7.314 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.777 3.955 10.123 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.821 4.360 8.775 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.839 6.579 8.597 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.617 6.185 9.790 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.451 7.513 10.775 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.317 5.938 11.530 1.00 15.00 H new ATOM 0 HE ARG A 389 5.248 6.104 9.304 1.00 15.00 H new ATOM 0 HH11 ARG A 389 4.659 6.202 12.789 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.355 5.926 13.201 1.00 15.00 H new ATOM 0 HH21 ARG A 389 7.423 5.750 9.837 1.00 15.00 H new ATOM 0 HH22 ARG A 389 7.918 5.670 11.531 1.00 15.00 H new ATOM 406 N THR A 390 1.102 1.850 7.321 1.00 15.00 N ATOM 407 CA THR A 390 1.191 0.431 7.029 1.00 15.00 C ATOM 408 C THR A 390 0.792 0.142 5.583 1.00 15.00 C ATOM 409 O THR A 390 -0.090 0.796 5.030 1.00 15.00 O ATOM 410 CB THR A 390 0.287 -0.365 8.001 1.00 15.00 C ATOM 411 OG1 THR A 390 0.879 -0.385 9.307 1.00 15.00 O ATOM 412 CG2 THR A 390 0.033 -1.787 7.521 1.00 15.00 C ATOM 0 H THR A 390 0.204 2.269 7.078 1.00 15.00 H new ATOM 0 HA THR A 390 2.226 0.118 7.163 1.00 15.00 H new ATOM 0 HB THR A 390 -0.678 0.140 8.039 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.303 -0.888 9.920 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.606 -2.304 8.237 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.459 -1.760 6.549 1.00 15.00 H new ATOM 0 HG23 THR A 390 0.982 -2.316 7.433 1.00 15.00 H new ATOM 420 N THR A 391 1.468 -0.820 4.971 1.00 15.00 N ATOM 421 CA THR A 391 1.117 -1.276 3.642 1.00 15.00 C ATOM 422 C THR A 391 0.943 -2.794 3.645 1.00 15.00 C ATOM 423 O THR A 391 1.587 -3.498 4.429 1.00 15.00 O ATOM 424 CB THR A 391 2.173 -0.851 2.598 1.00 15.00 C ATOM 425 OG1 THR A 391 1.837 -1.373 1.308 1.00 15.00 O ATOM 426 CG2 THR A 391 3.564 -1.312 2.995 1.00 15.00 C ATOM 0 H THR A 391 2.269 -1.301 5.382 1.00 15.00 H new ATOM 0 HA THR A 391 0.174 -0.808 3.359 1.00 15.00 H new ATOM 0 HB THR A 391 2.176 0.238 2.556 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.867 -1.320 1.176 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.282 -0.996 2.238 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.833 -0.873 3.956 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.578 -2.399 3.077 1.00 15.00 H new ATOM 434 N THR A 392 0.056 -3.294 2.796 1.00 15.00 N ATOM 435 CA THR A 392 -0.280 -4.706 2.798 1.00 15.00 C ATOM 436 C THR A 392 -0.679 -5.180 1.402 1.00 15.00 C ATOM 437 O THR A 392 -1.166 -4.393 0.586 1.00 15.00 O ATOM 438 CB THR A 392 -1.422 -5.000 3.798 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.726 -6.400 3.809 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.676 -4.207 3.455 1.00 15.00 C ATOM 0 H THR A 392 -0.442 -2.741 2.098 1.00 15.00 H new ATOM 0 HA THR A 392 0.610 -5.253 3.109 1.00 15.00 H new ATOM 0 HB THR A 392 -1.082 -4.695 4.788 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.449 -6.573 4.447 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.460 -4.436 4.177 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.453 -3.141 3.488 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.014 -4.476 2.454 1.00 15.00 H new ATOM 448 N TRP A 393 -0.420 -6.457 1.116 1.00 15.00 N ATOM 449 CA TRP A 393 -0.840 -7.064 -0.144 1.00 15.00 C ATOM 450 C TRP A 393 -2.335 -7.382 -0.101 1.00 15.00 C ATOM 451 O TRP A 393 -2.942 -7.726 -1.114 1.00 15.00 O ATOM 452 CB TRP A 393 -0.068 -8.363 -0.420 1.00 15.00 C ATOM 453 CG TRP A 393 1.426 -8.228 -0.380 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.270 -8.816 0.517 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.254 -7.468 -1.270 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.567 -8.465 0.243 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.583 -7.639 -0.842 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.005 -6.659 -2.381 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.658 -7.033 -1.477 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.076 -6.056 -3.017 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.388 -6.244 -2.561 1.00 15.00 C ATOM 0 H TRP A 393 0.079 -7.090 1.741 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.630 -6.350 -0.940 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.371 -9.112 0.312 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.358 -8.740 -1.400 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.961 -9.463 1.325 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.387 -8.772 0.766 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.997 -6.507 -2.737 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.670 -7.179 -1.128 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.898 -5.430 -3.879 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.202 -5.756 -3.076 1.00 15.00 H new ATOM 472 N THR A 394 -2.915 -7.283 1.085 1.00 15.00 N ATOM 473 CA THR A 394 -4.309 -7.641 1.289 1.00 15.00 C ATOM 474 C THR A 394 -5.230 -6.460 0.980 1.00 15.00 C ATOM 475 O THR A 394 -4.885 -5.309 1.240 1.00 15.00 O ATOM 476 CB THR A 394 -4.533 -8.112 2.740 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.541 -9.090 3.087 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.919 -8.714 2.920 1.00 15.00 C ATOM 0 H THR A 394 -2.438 -6.956 1.925 1.00 15.00 H new ATOM 0 HA THR A 394 -4.550 -8.455 0.606 1.00 15.00 H new ATOM 0 HB THR A 394 -4.449 -7.244 3.394 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.683 -9.387 4.010 1.00 15.00 H new ATOM 0 HG21 THR A 394 -6.044 -9.036 3.954 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.675 -7.966 2.679 1.00 15.00 H new ATOM 0 HG23 THR A 394 -6.032 -9.572 2.257 1.00 15.00 H new ATOM 486 N ARG A 395 -6.394 -6.754 0.413 1.00 15.00 N ATOM 487 CA ARG A 395 -7.366 -5.724 0.085 1.00 15.00 C ATOM 488 C ARG A 395 -8.212 -5.361 1.303 1.00 15.00 C ATOM 489 O ARG A 395 -8.947 -6.198 1.826 1.00 15.00 O ATOM 490 CB ARG A 395 -8.290 -6.191 -1.046 1.00 15.00 C ATOM 491 CG ARG A 395 -9.414 -5.210 -1.341 1.00 15.00 C ATOM 492 CD ARG A 395 -8.871 -3.901 -1.881 1.00 15.00 C ATOM 493 NE ARG A 395 -9.595 -2.737 -1.371 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.614 -1.561 -1.989 1.00 15.00 C ATOM 495 NH1 ARG A 395 -9.128 -1.447 -3.217 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.163 -0.505 -1.406 1.00 15.00 N ATOM 0 H ARG A 395 -6.686 -7.701 0.171 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.812 -4.843 -0.240 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.700 -6.341 -1.950 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.719 -7.157 -0.781 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.102 -5.648 -2.065 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.985 -5.023 -0.432 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.817 -3.813 -1.617 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.927 -3.910 -2.970 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.111 -2.833 -0.497 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.739 -2.263 -3.689 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -9.144 -0.543 -3.690 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.575 -0.592 -0.477 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.174 0.395 -1.887 1.00 15.00 H new ATOM 510 N PRO A 396 -8.111 -4.112 1.776 1.00 15.00 N ATOM 511 CA PRO A 396 -8.979 -3.602 2.827 1.00 15.00 C ATOM 512 C PRO A 396 -10.287 -3.055 2.252 1.00 15.00 C ATOM 513 O PRO A 396 -10.288 -2.093 1.481 1.00 15.00 O ATOM 514 CB PRO A 396 -8.141 -2.485 3.440 1.00 15.00 C ATOM 515 CG PRO A 396 -7.348 -1.946 2.294 1.00 15.00 C ATOM 516 CD PRO A 396 -7.123 -3.100 1.345 1.00 15.00 C ATOM 0 HA PRO A 396 -9.279 -4.365 3.545 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.770 -1.714 3.885 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.492 -2.863 4.230 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.884 -1.136 1.799 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.398 -1.537 2.638 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.282 -2.802 0.309 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.104 -3.481 1.414 1.00 15.00 H new ATOM 524 N ILE A 397 -11.388 -3.723 2.555 1.00 15.00 N ATOM 525 CA ILE A 397 -12.694 -3.271 2.093 1.00 15.00 C ATOM 526 C ILE A 397 -13.342 -2.320 3.100 1.00 15.00 C ATOM 527 O ILE A 397 -13.977 -1.334 2.721 1.00 15.00 O ATOM 528 CB ILE A 397 -13.632 -4.463 1.764 1.00 15.00 C ATOM 529 CG1 ILE A 397 -13.747 -5.446 2.935 1.00 15.00 C ATOM 530 CG2 ILE A 397 -13.139 -5.188 0.525 1.00 15.00 C ATOM 531 CD1 ILE A 397 -14.949 -5.201 3.820 1.00 15.00 C ATOM 0 H ILE A 397 -11.406 -4.575 3.115 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.534 -2.718 1.167 1.00 15.00 H new ATOM 0 HB ILE A 397 -14.626 -4.055 1.579 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -13.798 -6.461 2.542 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -12.843 -5.383 3.540 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -13.804 -6.023 0.303 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -13.127 -4.499 -0.319 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -12.131 -5.564 0.700 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -14.963 -5.935 4.626 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -14.891 -4.198 4.243 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -15.860 -5.293 3.229 1.00 15.00 H new ATOM 543 N GLY A 398 -13.183 -2.634 4.379 1.00 15.00 N ATOM 544 CA GLY A 398 -13.735 -1.803 5.429 1.00 15.00 C ATOM 545 C GLY A 398 -12.766 -0.734 5.888 1.00 15.00 C ATOM 546 O GLY A 398 -11.541 -0.983 5.845 1.00 15.00 O ATOM 547 OXT GLY A 398 -13.226 0.343 6.323 1.00 15.00 O ATOM 0 H GLY A 398 -12.677 -3.456 4.709 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -14.650 -1.331 5.072 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -14.010 -2.429 6.278 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.229 -13.140 -2.505 1.00 15.00 N ATOM 553 CA GLU B 203 0.804 -12.570 -3.402 1.00 15.00 C ATOM 554 C GLU B 203 2.086 -13.396 -3.356 1.00 15.00 C ATOM 555 O GLU B 203 2.867 -13.372 -4.305 1.00 15.00 O ATOM 556 CB GLU B 203 1.115 -11.110 -3.039 1.00 15.00 C ATOM 557 CG GLU B 203 0.076 -10.103 -3.520 1.00 15.00 C ATOM 558 CD GLU B 203 -1.348 -10.520 -3.224 1.00 15.00 C ATOM 559 OE1 GLU B 203 -1.622 -10.949 -2.086 1.00 15.00 O ATOM 560 OE2 GLU B 203 -2.198 -10.436 -4.129 1.00 15.00 O1- ATOM 0 HA GLU B 203 0.402 -12.598 -4.415 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.206 -11.030 -1.956 1.00 15.00 H new ATOM 0 HB3 GLU B 203 2.084 -10.843 -3.461 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.270 -9.139 -3.049 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.189 -9.961 -4.595 1.00 15.00 H new ATOM 569 N LEU B 204 2.318 -14.090 -2.227 1.00 15.00 N ATOM 570 CA LEU B 204 3.518 -14.921 -2.041 1.00 15.00 C ATOM 571 C LEU B 204 4.773 -14.055 -1.963 1.00 15.00 C ATOM 572 O LEU B 204 5.895 -14.562 -1.977 1.00 15.00 O ATOM 573 CB LEU B 204 3.660 -15.951 -3.171 1.00 15.00 C ATOM 574 CG LEU B 204 2.548 -16.999 -3.248 1.00 15.00 C ATOM 575 CD1 LEU B 204 2.767 -17.917 -4.440 1.00 15.00 C ATOM 576 CD2 LEU B 204 2.484 -17.802 -1.956 1.00 15.00 C ATOM 0 H LEU B 204 1.686 -14.090 -1.427 1.00 15.00 H new ATOM 0 HA LEU B 204 3.403 -15.457 -1.099 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.701 -15.419 -4.121 1.00 15.00 H new ATOM 0 HB3 LEU B 204 4.613 -16.466 -3.053 1.00 15.00 H new ATOM 0 HG LEU B 204 1.595 -16.486 -3.380 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.968 -18.657 -4.481 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.764 -17.329 -5.358 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.726 -18.424 -4.337 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.688 -18.543 -2.027 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.436 -18.307 -1.794 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.282 -17.132 -1.121 1.00 15.00 H new ATOM 588 N GLU B 205 4.567 -12.755 -1.838 1.00 15.00 N ATOM 589 CA GLU B 205 5.651 -11.788 -1.845 1.00 15.00 C ATOM 590 C GLU B 205 5.986 -11.338 -0.432 1.00 15.00 C ATOM 591 O GLU B 205 5.099 -11.210 0.418 1.00 15.00 O ATOM 592 CB GLU B 205 5.257 -10.575 -2.691 1.00 15.00 C ATOM 593 CG GLU B 205 5.118 -10.882 -4.174 1.00 15.00 C ATOM 594 CD GLU B 205 6.450 -11.165 -4.837 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.931 -12.313 -4.758 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 7.021 -10.233 -5.440 1.00 15.00 O ATOM 0 H GLU B 205 3.642 -12.340 -1.729 1.00 15.00 H new ATOM 0 HA GLU B 205 6.533 -12.264 -2.274 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.312 -10.177 -2.321 1.00 15.00 H new ATOM 0 HB3 GLU B 205 6.005 -9.793 -2.560 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.462 -11.743 -4.303 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.640 -10.039 -4.673 1.00 15.00 H new ATOM 603 N SER B 206 7.269 -11.105 -0.196 1.00 15.00 N ATOM 604 CA SER B 206 7.733 -10.506 1.040 1.00 15.00 C ATOM 605 C SER B 206 7.034 -9.159 1.251 1.00 15.00 C ATOM 606 O SER B 206 6.626 -8.517 0.284 1.00 15.00 O ATOM 607 CB SER B 206 9.251 -10.323 0.960 1.00 15.00 C ATOM 608 OG SER B 206 9.880 -11.525 0.541 1.00 15.00 O ATOM 0 H SER B 206 8.014 -11.327 -0.857 1.00 15.00 H new ATOM 0 HA SER B 206 7.496 -11.151 1.886 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.489 -9.520 0.263 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.638 -10.025 1.934 1.00 15.00 H new ATOM 0 HG SER B 206 10.849 -11.388 0.494 1.00 15.00 H new ATOM 614 N PRO B 207 6.897 -8.714 2.510 1.00 15.00 N ATOM 615 CA PRO B 207 6.184 -7.472 2.855 1.00 15.00 C ATOM 616 C PRO B 207 6.624 -6.280 2.010 1.00 15.00 C ATOM 617 O PRO B 207 7.817 -6.106 1.751 1.00 15.00 O ATOM 618 CB PRO B 207 6.574 -7.253 4.310 1.00 15.00 C ATOM 619 CG PRO B 207 6.791 -8.623 4.827 1.00 15.00 C ATOM 620 CD PRO B 207 7.433 -9.381 3.707 1.00 15.00 C ATOM 0 HA PRO B 207 5.112 -7.557 2.680 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.475 -6.646 4.396 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.788 -6.737 4.862 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.431 -8.612 5.710 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.848 -9.084 5.122 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.521 -9.321 3.750 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.170 -10.439 3.732 1.00 15.00 H new ATOM 628 N PRO B 208 5.660 -5.442 1.574 1.00 15.00 N ATOM 629 CA PRO B 208 5.939 -4.274 0.732 1.00 15.00 C ATOM 630 C PRO B 208 7.038 -3.381 1.289 1.00 15.00 C ATOM 631 O PRO B 208 7.201 -3.257 2.507 1.00 15.00 O ATOM 632 CB PRO B 208 4.610 -3.524 0.721 1.00 15.00 C ATOM 633 CG PRO B 208 3.601 -4.590 0.896 1.00 15.00 C ATOM 634 CD PRO B 208 4.215 -5.563 1.858 1.00 15.00 C ATOM 0 HA PRO B 208 6.297 -4.572 -0.254 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.559 -2.789 1.524 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.463 -2.984 -0.214 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.667 -4.187 1.287 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.368 -5.071 -0.054 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.984 -5.308 2.892 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.854 -6.578 1.691 1.00 15.00 H new ATOM 642 N PRO B 209 7.765 -2.719 0.380 1.00 15.00 N ATOM 643 CA PRO B 209 8.894 -1.840 0.715 1.00 15.00 C ATOM 644 C PRO B 209 8.549 -0.841 1.819 1.00 15.00 C ATOM 645 O PRO B 209 7.432 -0.319 1.864 1.00 15.00 O ATOM 646 CB PRO B 209 9.148 -1.122 -0.613 1.00 15.00 C ATOM 647 CG PRO B 209 8.746 -2.120 -1.636 1.00 15.00 C ATOM 648 CD PRO B 209 7.529 -2.777 -1.076 1.00 15.00 C ATOM 0 HA PRO B 209 9.755 -2.385 1.103 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.560 -0.208 -0.693 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.195 -0.838 -0.721 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.532 -1.642 -2.592 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.540 -2.845 -1.813 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.618 -2.249 -1.359 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.425 -3.803 -1.428 1.00 15.00 H new ATOM 656 N PRO B 210 9.516 -0.562 2.715 1.00 15.00 N ATOM 657 CA PRO B 210 9.306 0.287 3.895 1.00 15.00 C ATOM 658 C PRO B 210 8.613 1.611 3.576 1.00 15.00 C ATOM 659 O PRO B 210 9.110 2.427 2.794 1.00 15.00 O ATOM 660 CB PRO B 210 10.725 0.537 4.432 1.00 15.00 C ATOM 661 CG PRO B 210 11.657 -0.011 3.402 1.00 15.00 C ATOM 662 CD PRO B 210 10.892 -1.063 2.656 1.00 15.00 C ATOM 0 HA PRO B 210 8.644 -0.200 4.611 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.900 1.601 4.590 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.871 0.043 5.393 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.996 0.775 2.727 1.00 15.00 H new ATOM 0 HG3 PRO B 210 12.546 -0.435 3.869 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.242 -1.166 1.629 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.987 -2.042 3.125 1.00 15.00 H new ATOM 670 N TYR B 211 7.458 1.801 4.193 1.00 15.00 N ATOM 671 CA TYR B 211 6.641 2.985 3.989 1.00 15.00 C ATOM 672 C TYR B 211 7.007 4.057 5.009 1.00 15.00 C ATOM 673 O TYR B 211 6.794 3.877 6.208 1.00 15.00 O ATOM 674 CB TYR B 211 5.167 2.595 4.125 1.00 15.00 C ATOM 675 CG TYR B 211 4.180 3.675 3.750 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.874 3.921 2.421 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.535 4.428 4.724 1.00 15.00 C ATOM 678 CE1 TYR B 211 2.955 4.885 2.071 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.616 5.400 4.378 1.00 15.00 C ATOM 680 CZ TYR B 211 2.332 5.621 3.049 1.00 15.00 C ATOM 681 OH TYR B 211 1.408 6.570 2.693 1.00 15.00 O ATOM 0 H TYR B 211 7.059 1.134 4.853 1.00 15.00 H new ATOM 0 HA TYR B 211 6.819 3.391 2.993 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.980 1.721 3.501 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.980 2.296 5.156 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.364 3.348 1.648 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.755 4.251 5.766 1.00 15.00 H new ATOM 0 HE1 TYR B 211 2.725 5.062 1.031 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.124 5.982 5.144 1.00 15.00 H new ATOM 0 HH TYR B 211 1.442 7.315 3.329 1.00 15.00 H new ATOM 691 N SER B 212 7.576 5.156 4.539 1.00 15.00 N ATOM 692 CA SER B 212 7.965 6.234 5.430 1.00 15.00 C ATOM 693 C SER B 212 6.869 7.296 5.513 1.00 15.00 C ATOM 694 O SER B 212 6.127 7.369 6.497 1.00 15.00 O ATOM 695 CB SER B 212 9.273 6.861 4.932 1.00 15.00 C ATOM 696 OG SER B 212 9.177 7.217 3.556 1.00 15.00 O ATOM 0 H SER B 212 7.777 5.323 3.553 1.00 15.00 H new ATOM 0 HA SER B 212 8.114 5.826 6.430 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.505 7.746 5.525 1.00 15.00 H new ATOM 0 HB3 SER B 212 10.094 6.158 5.073 1.00 15.00 H new ATOM 0 HG SER B 212 10.022 7.616 3.262 1.00 15.00 H new ATOM 702 N ARG B 213 6.758 8.100 4.463 1.00 15.00 N ATOM 703 CA ARG B 213 5.737 9.136 4.387 1.00 15.00 C ATOM 704 C ARG B 213 4.830 8.921 3.182 1.00 15.00 C ATOM 705 O ARG B 213 3.608 8.873 3.310 1.00 15.00 O ATOM 706 CB ARG B 213 6.383 10.525 4.323 1.00 15.00 C ATOM 707 CG ARG B 213 7.205 10.892 5.555 1.00 15.00 C ATOM 708 CD ARG B 213 6.327 11.191 6.762 1.00 15.00 C ATOM 709 NE ARG B 213 5.564 10.025 7.202 1.00 15.00 N ATOM 710 CZ ARG B 213 4.401 10.094 7.842 1.00 15.00 C ATOM 711 NH1 ARG B 213 3.884 11.271 8.174 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 3.759 8.980 8.157 1.00 15.00 N ATOM 0 H ARG B 213 7.368 8.053 3.647 1.00 15.00 H new ATOM 0 HA ARG B 213 5.128 9.074 5.289 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.026 10.574 3.444 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.600 11.271 4.187 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.883 10.073 5.795 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.822 11.762 5.332 1.00 15.00 H new ATOM 0 HD2 ARG B 213 6.951 11.543 7.583 1.00 15.00 H new ATOM 0 HD3 ARG B 213 5.639 11.999 6.515 1.00 15.00 H new ATOM 0 HE ARG B 213 5.948 9.101 7.006 1.00 15.00 H new ATOM 0 HH11 ARG B 213 4.380 12.131 7.938 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.991 11.316 8.665 1.00 15.00 H new ATOM 0 HH21 ARG B 213 4.157 8.074 7.909 1.00 15.00 H new ATOM 0 HH22 ARG B 213 2.866 9.027 8.648 1.00 15.00 H new ATOM 726 N TYR B 214 5.439 8.810 2.011 1.00 15.00 N ATOM 727 CA TYR B 214 4.695 8.635 0.776 1.00 15.00 C ATOM 728 C TYR B 214 4.931 7.235 0.214 1.00 15.00 C ATOM 729 O TYR B 214 5.958 6.621 0.514 1.00 15.00 O ATOM 730 CB TYR B 214 5.128 9.687 -0.247 1.00 15.00 C ATOM 731 CG TYR B 214 4.778 11.107 0.147 1.00 15.00 C ATOM 732 CD1 TYR B 214 5.655 11.878 0.901 1.00 15.00 C ATOM 733 CD2 TYR B 214 3.569 11.675 -0.235 1.00 15.00 C ATOM 734 CE1 TYR B 214 5.336 13.173 1.264 1.00 15.00 C ATOM 735 CE2 TYR B 214 3.244 12.969 0.122 1.00 15.00 C ATOM 736 CZ TYR B 214 4.130 13.712 0.871 1.00 15.00 C ATOM 737 OH TYR B 214 3.806 15.000 1.231 1.00 15.00 O ATOM 0 H TYR B 214 6.452 8.838 1.892 1.00 15.00 H new ATOM 0 HA TYR B 214 3.632 8.757 0.985 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.206 9.616 -0.392 1.00 15.00 H new ATOM 0 HB3 TYR B 214 4.661 9.461 -1.206 1.00 15.00 H new ATOM 0 HD1 TYR B 214 6.601 11.458 1.208 1.00 15.00 H new ATOM 0 HD2 TYR B 214 2.872 11.095 -0.821 1.00 15.00 H new ATOM 0 HE1 TYR B 214 6.027 13.759 1.852 1.00 15.00 H new ATOM 0 HE2 TYR B 214 2.301 13.396 -0.184 1.00 15.00 H new ATOM 0 HH TYR B 214 2.922 15.227 0.873 1.00 15.00 H new ATOM 747 N PRO B 215 4.009 6.707 -0.615 1.00 15.00 N ATOM 748 CA PRO B 215 4.182 5.392 -1.236 1.00 15.00 C ATOM 749 C PRO B 215 5.279 5.407 -2.290 1.00 15.00 C ATOM 750 O PRO B 215 5.220 6.178 -3.248 1.00 15.00 O ATOM 751 CB PRO B 215 2.830 5.103 -1.899 1.00 15.00 C ATOM 752 CG PRO B 215 1.898 6.157 -1.405 1.00 15.00 C ATOM 753 CD PRO B 215 2.742 7.331 -1.024 1.00 15.00 C ATOM 0 HA PRO B 215 4.474 4.640 -0.503 1.00 15.00 H new ATOM 0 HB2 PRO B 215 2.913 5.134 -2.985 1.00 15.00 H new ATOM 0 HB3 PRO B 215 2.470 4.109 -1.635 1.00 15.00 H new ATOM 0 HG2 PRO B 215 1.179 6.431 -2.177 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.326 5.798 -0.550 1.00 15.00 H new ATOM 0 HD2 PRO B 215 2.881 8.017 -1.860 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.294 7.904 -0.213 1.00 15.00 H new ATOM 761 N MET B 216 6.281 4.563 -2.108 1.00 15.00 N ATOM 762 CA MET B 216 7.405 4.518 -3.025 1.00 15.00 C ATOM 763 C MET B 216 7.978 3.104 -3.114 1.00 15.00 C ATOM 764 O MET B 216 8.515 2.576 -2.137 1.00 15.00 O ATOM 765 CB MET B 216 8.486 5.513 -2.587 1.00 15.00 C ATOM 766 CG MET B 216 8.942 5.332 -1.149 1.00 15.00 C ATOM 767 SD MET B 216 10.016 6.665 -0.589 1.00 15.00 S ATOM 768 CE MET B 216 8.905 8.067 -0.708 1.00 15.00 C ATOM 0 H MET B 216 6.338 3.901 -1.334 1.00 15.00 H new ATOM 0 HA MET B 216 7.052 4.801 -4.017 1.00 15.00 H new ATOM 0 HB2 MET B 216 9.348 5.412 -3.247 1.00 15.00 H new ATOM 0 HB3 MET B 216 8.105 6.527 -2.712 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.069 5.277 -0.499 1.00 15.00 H new ATOM 0 HG3 MET B 216 9.469 4.382 -1.056 1.00 15.00 H new ATOM 0 HE1 MET B 216 9.029 8.705 0.167 1.00 15.00 H new ATOM 0 HE2 MET B 216 9.134 8.637 -1.608 1.00 15.00 H new ATOM 0 HE3 MET B 216 7.875 7.712 -0.755 1.00 15.00 H new ATOM 778 N ASP B 217 7.824 2.478 -4.274 1.00 15.00 N ATOM 779 CA ASP B 217 8.374 1.152 -4.505 1.00 15.00 C ATOM 780 C ASP B 217 9.752 1.265 -5.143 1.00 15.00 C ATOM 781 O ASP B 217 9.832 1.612 -6.339 1.00 15.00 O ATOM 782 CB ASP B 217 7.436 0.325 -5.391 1.00 15.00 C ATOM 783 CG ASP B 217 8.020 -1.025 -5.761 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.304 -1.829 -4.850 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.186 -1.291 -6.970 1.00 15.00 O1- ATOM 786 OXT ASP B 217 10.756 1.033 -4.435 1.00 15.00 O ATOM 0 H ASP B 217 7.321 2.870 -5.070 1.00 15.00 H new ATOM 0 HA ASP B 217 8.472 0.642 -3.547 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.489 0.177 -4.872 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.216 0.883 -6.301 1.00 15.00 H new TER 791 ASP B 217