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 392 THR OG1 : rot -134:sc= 0.958 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.673 USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.59 K(o=1.3,f=-6.1!) USER MOD Set 2.2: B 211 TYR OH : rot 69:sc= 0.661 USER MOD Set 3.1: A 385 ASN : amide:sc= -6.41! C(o=-12!,f=-9.4!) USER MOD Set 3.2: A 388 ASN : amide:sc= -5.29! C(o=-12!,f=-18!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 170:sc=-0.00978 (180deg=-0.116) USER MOD Single : A 378 LYS NZ :NH3+ 177:sc= 2.7 (180deg=2.65) USER MOD Single : A 381 THR OG1 : rot 44:sc= 0.52 USER MOD Single : A 382 TYR OH : rot -167:sc= 0.928 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= -0.445 K(o=-0.44,f=-2.4!) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 36:sc= 0.679 USER MOD Single : B 206 SER OG : rot 180:sc= -0.068 USER MOD Single : B 212 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD Single : B 216 MET CE :methyl 164:sc= -0.012 (180deg=-0.28) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -16.459 -2.427 -3.650 1.00 15.00 N ATOM 2 CA PRO A 365 -15.086 -2.064 -3.247 1.00 15.00 C ATOM 3 C PRO A 365 -15.103 -0.875 -2.300 1.00 15.00 C ATOM 4 O PRO A 365 -15.730 0.143 -2.585 1.00 15.00 O ATOM 5 CB PRO A 365 -14.277 -1.741 -4.495 1.00 15.00 C ATOM 6 CG PRO A 365 -15.248 -1.937 -5.612 1.00 15.00 C ATOM 7 CD PRO A 365 -16.362 -2.805 -5.068 1.00 15.00 C ATOM 0 HA PRO A 365 -14.628 -2.901 -2.721 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -13.896 -0.720 -4.471 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -13.415 -2.401 -4.594 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -15.637 -0.980 -5.960 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -14.766 -2.414 -6.465 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -17.300 -2.624 -5.593 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -16.133 -3.864 -5.182 1.00 15.00 H new ATOM 17 N GLY A 366 -14.407 -1.000 -1.181 1.00 15.00 N ATOM 18 CA GLY A 366 -14.394 0.063 -0.199 1.00 15.00 C ATOM 19 C GLY A 366 -13.050 0.755 -0.109 1.00 15.00 C ATOM 20 O GLY A 366 -12.132 0.250 0.540 1.00 15.00 O ATOM 0 H GLY A 366 -13.851 -1.819 -0.935 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.160 0.796 -0.452 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -14.654 -0.346 0.777 1.00 15.00 H new ATOM 24 N LEU A 367 -12.932 1.902 -0.765 1.00 15.00 N ATOM 25 CA LEU A 367 -11.714 2.702 -0.704 1.00 15.00 C ATOM 26 C LEU A 367 -11.836 3.701 0.450 1.00 15.00 C ATOM 27 O LEU A 367 -12.678 4.602 0.406 1.00 15.00 O ATOM 28 CB LEU A 367 -11.490 3.434 -2.044 1.00 15.00 C ATOM 29 CG LEU A 367 -10.077 3.999 -2.294 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.920 4.381 -3.757 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.796 5.211 -1.413 1.00 15.00 C ATOM 0 H LEU A 367 -13.668 2.301 -1.348 1.00 15.00 H new ATOM 0 HA LEU A 367 -10.854 2.056 -0.529 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.729 2.744 -2.853 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.202 4.257 -2.106 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.357 3.221 -2.039 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.919 4.779 -3.924 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.069 3.500 -4.381 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.659 5.139 -4.017 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.792 5.583 -1.616 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.523 5.994 -1.628 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.872 4.924 -0.364 1.00 15.00 H new ATOM 43 N PRO A 368 -11.023 3.543 1.508 1.00 15.00 N ATOM 44 CA PRO A 368 -11.047 4.440 2.657 1.00 15.00 C ATOM 45 C PRO A 368 -10.096 5.628 2.500 1.00 15.00 C ATOM 46 O PRO A 368 -9.019 5.512 1.908 1.00 15.00 O ATOM 47 CB PRO A 368 -10.592 3.536 3.802 1.00 15.00 C ATOM 48 CG PRO A 368 -9.772 2.451 3.175 1.00 15.00 C ATOM 49 CD PRO A 368 -10.047 2.457 1.690 1.00 15.00 C ATOM 0 HA PRO A 368 -12.028 4.891 2.805 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.006 4.096 4.531 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.448 3.120 4.333 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.712 2.616 3.367 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.027 1.483 3.606 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.138 2.639 1.117 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.449 1.500 1.355 1.00 15.00 H new ATOM 57 N SER A 369 -10.487 6.763 3.068 1.00 15.00 N ATOM 58 CA SER A 369 -9.720 7.993 2.939 1.00 15.00 C ATOM 59 C SER A 369 -8.410 7.908 3.715 1.00 15.00 C ATOM 60 O SER A 369 -8.400 7.729 4.934 1.00 15.00 O ATOM 61 CB SER A 369 -10.551 9.174 3.442 1.00 15.00 C ATOM 62 OG SER A 369 -11.813 9.216 2.798 1.00 15.00 O ATOM 0 H SER A 369 -11.336 6.855 3.625 1.00 15.00 H new ATOM 0 HA SER A 369 -9.480 8.139 1.886 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.691 9.092 4.520 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.014 10.105 3.260 1.00 15.00 H new ATOM 0 HG SER A 369 -12.328 9.978 3.137 1.00 15.00 H new ATOM 68 N GLY A 370 -7.307 8.031 2.995 1.00 15.00 N ATOM 69 CA GLY A 370 -6.000 7.929 3.605 1.00 15.00 C ATOM 70 C GLY A 370 -5.183 6.832 2.969 1.00 15.00 C ATOM 71 O GLY A 370 -3.954 6.811 3.075 1.00 15.00 O ATOM 0 H GLY A 370 -7.295 8.201 1.989 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.475 8.879 3.507 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.108 7.733 4.672 1.00 15.00 H new ATOM 75 N TRP A 371 -5.877 5.920 2.307 1.00 15.00 N ATOM 76 CA TRP A 371 -5.236 4.827 1.602 1.00 15.00 C ATOM 77 C TRP A 371 -4.963 5.205 0.158 1.00 15.00 C ATOM 78 O TRP A 371 -5.874 5.581 -0.579 1.00 15.00 O ATOM 79 CB TRP A 371 -6.116 3.575 1.633 1.00 15.00 C ATOM 80 CG TRP A 371 -6.181 2.892 2.963 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.801 3.342 4.094 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.614 1.620 3.294 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.670 2.418 5.101 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.939 1.356 4.638 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.867 0.678 2.583 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.542 0.189 5.284 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.470 -0.478 3.227 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.810 -0.715 4.564 1.00 15.00 C ATOM 0 H TRP A 371 -6.895 5.918 2.245 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.291 4.618 2.104 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.127 3.850 1.331 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.743 2.867 0.893 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.318 4.286 4.183 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.055 2.508 6.041 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.605 0.850 1.550 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.802 0.004 6.316 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.887 -1.211 2.690 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.488 -1.631 5.037 1.00 15.00 H new ATOM 99 N GLU A 372 -3.710 5.111 -0.248 1.00 15.00 N ATOM 100 CA GLU A 372 -3.384 5.227 -1.650 1.00 15.00 C ATOM 101 C GLU A 372 -3.089 3.850 -2.213 1.00 15.00 C ATOM 102 O GLU A 372 -2.025 3.276 -1.987 1.00 15.00 O ATOM 103 CB GLU A 372 -2.218 6.186 -1.917 1.00 15.00 C ATOM 104 CG GLU A 372 -2.560 7.654 -1.757 1.00 15.00 C ATOM 105 CD GLU A 372 -1.395 8.548 -2.128 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.161 8.755 -3.340 1.00 15.00 O ATOM 107 OE2 GLU A 372 -0.708 9.047 -1.216 1.00 15.00 O1- ATOM 0 H GLU A 372 -2.912 4.956 0.368 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.249 5.657 -2.155 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.400 5.941 -1.239 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.853 6.020 -2.930 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.418 7.897 -2.383 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.853 7.848 -0.725 1.00 15.00 H new ATOM 114 N GLU A 373 -4.063 3.315 -2.916 1.00 15.00 N ATOM 115 CA GLU A 373 -3.958 1.992 -3.497 1.00 15.00 C ATOM 116 C GLU A 373 -3.370 2.132 -4.879 1.00 15.00 C ATOM 117 O GLU A 373 -4.049 2.541 -5.821 1.00 15.00 O ATOM 118 CB GLU A 373 -5.339 1.362 -3.555 1.00 15.00 C ATOM 119 CG GLU A 373 -6.219 1.866 -2.431 1.00 15.00 C ATOM 120 CD GLU A 373 -7.671 1.475 -2.591 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.069 1.083 -3.708 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.418 1.527 -1.595 1.00 15.00 O ATOM 0 H GLU A 373 -4.950 3.783 -3.102 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.315 1.349 -2.896 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.805 1.588 -4.514 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.250 0.277 -3.492 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.847 1.476 -1.484 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.145 2.952 -2.380 1.00 15.00 H new ATOM 129 N ARG A 374 -2.094 1.852 -4.982 1.00 15.00 N ATOM 130 CA ARG A 374 -1.343 2.259 -6.141 1.00 15.00 C ATOM 131 C ARG A 374 -0.653 1.082 -6.803 1.00 15.00 C ATOM 132 O ARG A 374 0.017 0.278 -6.152 1.00 15.00 O ATOM 133 CB ARG A 374 -0.346 3.331 -5.720 1.00 15.00 C ATOM 134 CG ARG A 374 -1.029 4.570 -5.150 1.00 15.00 C ATOM 135 CD ARG A 374 -0.027 5.538 -4.540 1.00 15.00 C ATOM 136 NE ARG A 374 1.004 5.930 -5.499 1.00 15.00 N ATOM 137 CZ ARG A 374 1.279 7.187 -5.836 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.619 8.200 -5.283 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.231 7.432 -6.725 1.00 15.00 N ATOM 0 H ARG A 374 -1.556 1.345 -4.279 1.00 15.00 H new ATOM 0 HA ARG A 374 -2.023 2.670 -6.887 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.333 2.918 -4.974 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.260 3.617 -6.580 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.586 5.074 -5.940 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.752 4.270 -4.392 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.550 6.426 -4.185 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.442 5.076 -3.671 1.00 15.00 H new ATOM 0 HE ARG A 374 1.550 5.189 -5.940 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.108 8.018 -4.591 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.840 9.159 -5.550 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.747 6.659 -7.146 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.448 8.393 -6.988 1.00 15.00 H new ATOM 153 N LYS A 375 -0.836 1.002 -8.108 1.00 15.00 N ATOM 154 CA LYS A 375 -0.247 -0.045 -8.916 1.00 15.00 C ATOM 155 C LYS A 375 0.981 0.506 -9.622 1.00 15.00 C ATOM 156 O LYS A 375 0.882 1.453 -10.407 1.00 15.00 O ATOM 157 CB LYS A 375 -1.258 -0.568 -9.951 1.00 15.00 C ATOM 158 CG LYS A 375 -2.436 -1.348 -9.363 1.00 15.00 C ATOM 159 CD LYS A 375 -3.402 -0.467 -8.575 1.00 15.00 C ATOM 160 CE LYS A 375 -4.065 0.587 -9.453 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.900 -0.016 -10.524 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.401 1.666 -8.638 1.00 15.00 H new ATOM 0 HA LYS A 375 0.038 -0.876 -8.271 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.648 0.278 -10.517 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.733 -1.210 -10.658 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.978 -1.840 -10.171 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.055 -2.133 -8.710 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -4.169 -1.091 -8.117 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.864 0.024 -7.764 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.685 1.235 -8.834 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -3.298 1.216 -9.904 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.462 0.727 -10.986 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.285 -0.474 -11.227 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.538 -0.724 -10.109 1.00 15.00 H new ATOM 175 N ASP A 376 2.130 -0.072 -9.337 1.00 15.00 N ATOM 176 CA ASP A 376 3.386 0.406 -9.894 1.00 15.00 C ATOM 177 C ASP A 376 3.674 -0.296 -11.215 1.00 15.00 C ATOM 178 O ASP A 376 3.291 -1.447 -11.394 1.00 15.00 O ATOM 179 CB ASP A 376 4.526 0.180 -8.907 1.00 15.00 C ATOM 180 CG ASP A 376 5.558 1.282 -8.986 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.278 1.357 -10.005 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.650 2.085 -8.035 1.00 15.00 O1- ATOM 0 H ASP A 376 2.223 -0.878 -8.719 1.00 15.00 H new ATOM 0 HA ASP A 376 3.302 1.477 -10.080 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.126 0.127 -7.894 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.001 -0.779 -9.112 1.00 15.00 H new ATOM 187 N ALA A 377 4.378 0.390 -12.116 1.00 15.00 N ATOM 188 CA ALA A 377 4.519 -0.036 -13.515 1.00 15.00 C ATOM 189 C ALA A 377 5.166 -1.419 -13.685 1.00 15.00 C ATOM 190 O ALA A 377 5.016 -2.043 -14.733 1.00 15.00 O ATOM 191 CB ALA A 377 5.312 1.006 -14.286 1.00 15.00 C ATOM 0 H ALA A 377 4.868 1.258 -11.899 1.00 15.00 H new ATOM 0 HA ALA A 377 3.509 -0.126 -13.914 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.416 0.689 -15.324 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.789 1.962 -14.249 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.300 1.115 -13.839 1.00 15.00 H new ATOM 197 N LYS A 378 5.879 -1.897 -12.668 1.00 15.00 N ATOM 198 CA LYS A 378 6.455 -3.250 -12.704 1.00 15.00 C ATOM 199 C LYS A 378 5.353 -4.283 -12.540 1.00 15.00 C ATOM 200 O LYS A 378 5.553 -5.478 -12.759 1.00 15.00 O ATOM 201 CB LYS A 378 7.494 -3.487 -11.602 1.00 15.00 C ATOM 202 CG LYS A 378 8.540 -2.401 -11.449 1.00 15.00 C ATOM 203 CD LYS A 378 7.997 -1.229 -10.662 1.00 15.00 C ATOM 204 CE LYS A 378 9.117 -0.447 -9.996 1.00 15.00 C ATOM 205 NZ LYS A 378 8.596 0.530 -9.012 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.074 -1.377 -11.813 1.00 15.00 H new ATOM 0 HA LYS A 378 6.953 -3.347 -13.669 1.00 15.00 H new ATOM 0 HB2 LYS A 378 6.971 -3.601 -10.652 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.001 -4.431 -11.802 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.418 -2.806 -10.945 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.865 -2.063 -12.433 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.435 -0.571 -11.325 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.300 -1.588 -9.904 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.796 -1.138 -9.497 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.697 0.077 -10.756 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.392 1.008 -8.543 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.008 1.235 -9.501 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.022 0.034 -8.301 1.00 15.00 H new ATOM 219 N GLY A 379 4.207 -3.802 -12.107 1.00 15.00 N ATOM 220 CA GLY A 379 3.118 -4.656 -11.727 1.00 15.00 C ATOM 221 C GLY A 379 3.181 -5.006 -10.261 1.00 15.00 C ATOM 222 O GLY A 379 3.003 -6.159 -9.869 1.00 15.00 O ATOM 0 H GLY A 379 4.011 -2.806 -12.011 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.172 -4.161 -11.944 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.144 -5.569 -12.322 1.00 15.00 H new ATOM 226 N ARG A 380 3.437 -3.988 -9.451 1.00 15.00 N ATOM 227 CA ARG A 380 3.503 -4.138 -8.007 1.00 15.00 C ATOM 228 C ARG A 380 2.296 -3.451 -7.373 1.00 15.00 C ATOM 229 O ARG A 380 2.172 -2.227 -7.432 1.00 15.00 O ATOM 230 CB ARG A 380 4.801 -3.529 -7.463 1.00 15.00 C ATOM 231 CG ARG A 380 6.057 -4.020 -8.171 1.00 15.00 C ATOM 232 CD ARG A 380 6.253 -5.518 -8.011 1.00 15.00 C ATOM 233 NE ARG A 380 6.509 -5.895 -6.623 1.00 15.00 N ATOM 234 CZ ARG A 380 6.693 -7.148 -6.212 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.659 -8.153 -7.082 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 6.931 -7.390 -4.929 1.00 15.00 N ATOM 0 H ARG A 380 3.604 -3.036 -9.778 1.00 15.00 H new ATOM 0 HA ARG A 380 3.491 -5.199 -7.757 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.747 -2.444 -7.551 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.881 -3.759 -6.401 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.995 -3.774 -9.231 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.926 -3.496 -7.772 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.366 -6.039 -8.370 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.087 -5.842 -8.634 1.00 15.00 H new ATOM 0 HE ARG A 380 6.549 -5.152 -5.925 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.491 -7.966 -8.071 1.00 15.00 H new ATOM 0 HH12 ARG A 380 6.801 -9.111 -6.761 1.00 15.00 H new ATOM 0 HH21 ARG A 380 6.972 -6.618 -4.264 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.073 -8.348 -4.608 1.00 15.00 H new ATOM 250 N THR A 381 1.394 -4.238 -6.809 1.00 15.00 N ATOM 251 CA THR A 381 0.177 -3.700 -6.221 1.00 15.00 C ATOM 252 C THR A 381 0.286 -3.622 -4.701 1.00 15.00 C ATOM 253 O THR A 381 0.102 -4.620 -4.005 1.00 15.00 O ATOM 254 CB THR A 381 -1.046 -4.559 -6.610 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.811 -5.933 -6.267 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.335 -4.452 -8.101 1.00 15.00 C ATOM 0 H THR A 381 1.481 -5.252 -6.746 1.00 15.00 H new ATOM 0 HA THR A 381 0.043 -2.692 -6.613 1.00 15.00 H new ATOM 0 HB THR A 381 -1.910 -4.186 -6.059 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.413 -5.984 -5.373 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.201 -5.066 -8.349 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.542 -3.413 -8.358 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.470 -4.800 -8.665 1.00 15.00 H new ATOM 264 N TYR A 382 0.606 -2.442 -4.189 1.00 15.00 N ATOM 265 CA TYR A 382 0.735 -2.253 -2.757 1.00 15.00 C ATOM 266 C TYR A 382 -0.335 -1.304 -2.224 1.00 15.00 C ATOM 267 O TYR A 382 -0.549 -0.215 -2.762 1.00 15.00 O ATOM 268 CB TYR A 382 2.142 -1.747 -2.407 1.00 15.00 C ATOM 269 CG TYR A 382 2.666 -0.630 -3.291 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.238 0.684 -3.135 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.612 -0.895 -4.276 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.734 1.697 -3.935 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.113 0.113 -5.076 1.00 15.00 C ATOM 274 CZ TYR A 382 3.673 1.406 -4.902 1.00 15.00 C ATOM 275 OH TYR A 382 4.172 2.415 -5.700 1.00 15.00 O ATOM 0 H TYR A 382 0.780 -1.605 -4.745 1.00 15.00 H new ATOM 0 HA TYR A 382 0.586 -3.219 -2.274 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.139 -1.400 -1.374 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.836 -2.586 -2.460 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.506 0.917 -2.376 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.961 -1.907 -4.418 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.388 2.711 -3.803 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.847 -0.112 -5.835 1.00 15.00 H new ATOM 0 HH TYR A 382 4.657 2.024 -6.456 1.00 15.00 H new ATOM 285 N TYR A 383 -1.017 -1.732 -1.174 1.00 15.00 N ATOM 286 CA TYR A 383 -1.987 -0.886 -0.493 1.00 15.00 C ATOM 287 C TYR A 383 -1.305 -0.176 0.664 1.00 15.00 C ATOM 288 O TYR A 383 -0.874 -0.823 1.615 1.00 15.00 O ATOM 289 CB TYR A 383 -3.156 -1.717 0.039 1.00 15.00 C ATOM 290 CG TYR A 383 -3.943 -2.441 -1.031 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.528 -3.677 -1.510 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.107 -1.892 -1.553 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.250 -4.344 -2.479 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.836 -2.556 -2.520 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.404 -3.781 -2.980 1.00 15.00 C ATOM 296 OH TYR A 383 -6.129 -4.447 -3.941 1.00 15.00 O ATOM 0 H TYR A 383 -0.917 -2.664 -0.772 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.376 -0.158 -1.205 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.772 -2.449 0.749 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.831 -1.062 0.590 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.626 -4.123 -1.118 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.447 -0.931 -1.197 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.912 -5.303 -2.843 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.741 -2.117 -2.914 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.914 -3.915 -4.186 1.00 15.00 H new ATOM 306 N VAL A 384 -1.172 1.137 0.574 1.00 15.00 N ATOM 307 CA VAL A 384 -0.511 1.899 1.623 1.00 15.00 C ATOM 308 C VAL A 384 -1.479 2.873 2.285 1.00 15.00 C ATOM 309 O VAL A 384 -2.339 3.456 1.625 1.00 15.00 O ATOM 310 CB VAL A 384 0.712 2.672 1.085 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.767 1.725 0.542 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.304 3.658 0.018 1.00 15.00 C ATOM 0 H VAL A 384 -1.510 1.696 -0.209 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.164 1.179 2.365 1.00 15.00 H new ATOM 0 HB VAL A 384 1.142 3.223 1.922 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.615 2.300 0.171 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.101 1.058 1.337 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.343 1.136 -0.272 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.185 4.189 -0.343 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.164 3.125 -0.810 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.405 4.373 0.435 1.00 15.00 H new ATOM 322 N ASN A 385 -1.342 3.044 3.591 1.00 15.00 N ATOM 323 CA ASN A 385 -2.229 3.926 4.332 1.00 15.00 C ATOM 324 C ASN A 385 -1.451 4.984 5.089 1.00 15.00 C ATOM 325 O ASN A 385 -0.538 4.666 5.853 1.00 15.00 O ATOM 326 CB ASN A 385 -3.088 3.119 5.302 1.00 15.00 C ATOM 327 CG ASN A 385 -4.073 3.988 6.060 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.452 5.066 5.609 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.512 3.518 7.216 1.00 15.00 N ATOM 0 H ASN A 385 -0.628 2.586 4.157 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.874 4.430 3.612 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.633 2.353 4.750 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.442 2.602 6.012 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.186 4.055 7.762 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.177 2.619 7.561 1.00 15.00 H new ATOM 336 N HIS A 386 -1.841 6.242 4.885 1.00 15.00 N ATOM 337 CA HIS A 386 -1.222 7.373 5.576 1.00 15.00 C ATOM 338 C HIS A 386 -1.771 7.502 6.994 1.00 15.00 C ATOM 339 O HIS A 386 -1.128 8.086 7.868 1.00 15.00 O ATOM 340 CB HIS A 386 -1.477 8.695 4.838 1.00 15.00 C ATOM 341 CG HIS A 386 -0.859 8.803 3.476 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.419 9.280 3.263 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.371 8.544 2.250 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.658 9.316 1.962 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.409 8.875 1.329 1.00 15.00 N ATOM 0 H HIS A 386 -2.588 6.505 4.242 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.150 7.178 5.603 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.554 8.835 4.742 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.103 9.513 5.454 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.354 8.150 2.036 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.574 9.651 1.498 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.505 8.793 0.317 1.00 15.00 H new ATOM 354 N ASN A 387 -2.980 6.984 7.202 1.00 15.00 N ATOM 355 CA ASN A 387 -3.666 7.108 8.488 1.00 15.00 C ATOM 356 C ASN A 387 -2.880 6.408 9.591 1.00 15.00 C ATOM 357 O ASN A 387 -2.543 7.006 10.610 1.00 15.00 O ATOM 358 CB ASN A 387 -5.069 6.494 8.396 1.00 15.00 C ATOM 359 CG ASN A 387 -5.932 6.753 9.623 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.439 7.001 10.721 1.00 15.00 O ATOM 361 ND2 ASN A 387 -7.234 6.643 9.445 1.00 15.00 N ATOM 0 H ASN A 387 -3.507 6.473 6.494 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.745 8.168 8.730 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.574 6.894 7.517 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.976 5.418 8.249 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.869 6.765 10.234 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -7.606 6.436 8.518 1.00 15.00 H new ATOM 368 N ASN A 388 -2.597 5.137 9.375 1.00 15.00 N ATOM 369 CA ASN A 388 -1.940 4.320 10.384 1.00 15.00 C ATOM 370 C ASN A 388 -0.481 4.046 10.012 1.00 15.00 C ATOM 371 O ASN A 388 0.302 3.583 10.845 1.00 15.00 O ATOM 372 CB ASN A 388 -2.722 3.016 10.612 1.00 15.00 C ATOM 373 CG ASN A 388 -2.881 2.169 9.358 1.00 15.00 C ATOM 374 OD1 ASN A 388 -2.069 2.222 8.441 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.954 1.393 9.300 1.00 15.00 N ATOM 0 H ASN A 388 -2.812 4.645 8.508 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.932 4.874 11.322 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -2.213 2.427 11.375 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.710 3.259 11.003 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -4.123 0.817 8.475 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -4.611 1.372 10.080 1.00 15.00 H new ATOM 382 N ARG A 389 -0.147 4.312 8.746 1.00 15.00 N ATOM 383 CA ARG A 389 1.205 4.126 8.209 1.00 15.00 C ATOM 384 C ARG A 389 1.560 2.647 8.105 1.00 15.00 C ATOM 385 O ARG A 389 2.398 2.141 8.851 1.00 15.00 O ATOM 386 CB ARG A 389 2.247 4.883 9.039 1.00 15.00 C ATOM 387 CG ARG A 389 2.056 6.390 9.014 1.00 15.00 C ATOM 388 CD ARG A 389 2.949 7.091 10.023 1.00 15.00 C ATOM 389 NE ARG A 389 4.370 6.881 9.755 1.00 15.00 N ATOM 390 CZ ARG A 389 5.292 7.838 9.854 1.00 15.00 C ATOM 391 NH1 ARG A 389 4.930 9.085 10.153 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 6.571 7.551 9.640 1.00 15.00 N ATOM 0 H ARG A 389 -0.813 4.666 8.059 1.00 15.00 H new ATOM 0 HA ARG A 389 1.216 4.545 7.203 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.202 4.535 10.071 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.243 4.644 8.665 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.272 6.767 8.014 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.013 6.627 9.225 1.00 15.00 H new ATOM 0 HD2 ARG A 389 2.735 8.160 10.012 1.00 15.00 H new ATOM 0 HD3 ARG A 389 2.714 6.729 11.024 1.00 15.00 H new ATOM 0 HE ARG A 389 4.674 5.948 9.476 1.00 15.00 H new ATOM 0 HH11 ARG A 389 3.946 9.308 10.306 1.00 15.00 H new ATOM 0 HH12 ARG A 389 5.636 9.817 10.229 1.00 15.00 H new ATOM 0 HH21 ARG A 389 6.847 6.599 9.400 1.00 15.00 H new ATOM 0 HH22 ARG A 389 7.277 8.283 9.716 1.00 15.00 H new ATOM 406 N THR A 390 0.873 1.952 7.209 1.00 15.00 N ATOM 407 CA THR A 390 1.148 0.543 6.955 1.00 15.00 C ATOM 408 C THR A 390 0.812 0.190 5.507 1.00 15.00 C ATOM 409 O THR A 390 -0.044 0.830 4.893 1.00 15.00 O ATOM 410 CB THR A 390 0.374 -0.395 7.919 1.00 15.00 C ATOM 411 OG1 THR A 390 0.960 -1.703 7.903 1.00 15.00 O ATOM 412 CG2 THR A 390 -1.097 -0.509 7.538 1.00 15.00 C ATOM 0 H THR A 390 0.119 2.342 6.644 1.00 15.00 H new ATOM 0 HA THR A 390 2.212 0.389 7.134 1.00 15.00 H new ATOM 0 HB THR A 390 0.439 0.038 8.917 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.468 -2.289 8.515 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.603 -1.174 8.237 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.560 0.477 7.575 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.181 -0.911 6.528 1.00 15.00 H new ATOM 420 N THR A 391 1.519 -0.784 4.952 1.00 15.00 N ATOM 421 CA THR A 391 1.206 -1.280 3.624 1.00 15.00 C ATOM 422 C THR A 391 1.006 -2.797 3.654 1.00 15.00 C ATOM 423 O THR A 391 1.602 -3.495 4.479 1.00 15.00 O ATOM 424 CB THR A 391 2.291 -0.895 2.593 1.00 15.00 C ATOM 425 OG1 THR A 391 1.914 -1.356 1.291 1.00 15.00 O ATOM 426 CG2 THR A 391 3.649 -1.467 2.958 1.00 15.00 C ATOM 0 H THR A 391 2.311 -1.244 5.401 1.00 15.00 H new ATOM 0 HA THR A 391 0.276 -0.807 3.308 1.00 15.00 H new ATOM 0 HB THR A 391 2.372 0.192 2.595 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.943 -1.277 1.184 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.382 -1.172 2.207 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.954 -1.086 3.932 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.587 -2.555 2.997 1.00 15.00 H new ATOM 434 N THR A 392 0.146 -3.295 2.771 1.00 15.00 N ATOM 435 CA THR A 392 -0.205 -4.707 2.744 1.00 15.00 C ATOM 436 C THR A 392 -0.541 -5.154 1.321 1.00 15.00 C ATOM 437 O THR A 392 -0.987 -4.347 0.500 1.00 15.00 O ATOM 438 CB THR A 392 -1.401 -5.005 3.680 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.751 -6.393 3.618 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.612 -4.157 3.318 1.00 15.00 C ATOM 0 H THR A 392 -0.323 -2.734 2.060 1.00 15.00 H new ATOM 0 HA THR A 392 0.661 -5.266 3.098 1.00 15.00 H new ATOM 0 HB THR A 392 -1.095 -4.754 4.696 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.723 -6.482 3.533 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.435 -4.390 3.994 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.357 -3.101 3.408 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.913 -4.372 2.293 1.00 15.00 H new ATOM 448 N TRP A 393 -0.285 -6.428 1.022 1.00 15.00 N ATOM 449 CA TRP A 393 -0.637 -6.994 -0.276 1.00 15.00 C ATOM 450 C TRP A 393 -2.135 -7.285 -0.342 1.00 15.00 C ATOM 451 O TRP A 393 -2.713 -7.406 -1.424 1.00 15.00 O ATOM 452 CB TRP A 393 0.118 -8.302 -0.544 1.00 15.00 C ATOM 453 CG TRP A 393 1.614 -8.195 -0.502 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.453 -8.835 0.362 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.447 -7.417 -1.364 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.754 -8.508 0.082 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.776 -7.630 -0.963 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.198 -6.562 -2.432 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.853 -7.014 -1.588 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.268 -5.945 -3.060 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.584 -6.173 -2.633 1.00 15.00 C ATOM 0 H TRP A 393 0.164 -7.084 1.661 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.359 -6.258 -1.030 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.198 -9.043 0.191 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.176 -8.679 -1.524 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.138 -9.502 1.151 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.573 -8.863 0.575 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.187 -6.382 -2.767 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.867 -7.193 -1.261 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.086 -5.279 -3.890 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.399 -5.676 -3.138 1.00 15.00 H new ATOM 472 N THR A 394 -2.754 -7.427 0.823 1.00 15.00 N ATOM 473 CA THR A 394 -4.147 -7.836 0.894 1.00 15.00 C ATOM 474 C THR A 394 -5.093 -6.646 0.763 1.00 15.00 C ATOM 475 O THR A 394 -4.783 -5.540 1.210 1.00 15.00 O ATOM 476 CB THR A 394 -4.449 -8.599 2.202 1.00 15.00 C ATOM 477 OG1 THR A 394 -4.100 -7.807 3.348 1.00 15.00 O ATOM 478 CG2 THR A 394 -3.687 -9.913 2.243 1.00 15.00 C ATOM 0 H THR A 394 -2.313 -7.265 1.728 1.00 15.00 H new ATOM 0 HA THR A 394 -4.316 -8.507 0.052 1.00 15.00 H new ATOM 0 HB THR A 394 -5.519 -8.805 2.227 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.301 -8.309 4.166 1.00 15.00 H new ATOM 0 HG21 THR A 394 -3.913 -10.436 3.172 1.00 15.00 H new ATOM 0 HG22 THR A 394 -3.984 -10.532 1.397 1.00 15.00 H new ATOM 0 HG23 THR A 394 -2.617 -9.715 2.189 1.00 15.00 H new ATOM 486 N ARG A 395 -6.237 -6.881 0.133 1.00 15.00 N ATOM 487 CA ARG A 395 -7.253 -5.854 -0.031 1.00 15.00 C ATOM 488 C ARG A 395 -7.959 -5.567 1.290 1.00 15.00 C ATOM 489 O ARG A 395 -8.592 -6.454 1.868 1.00 15.00 O ATOM 490 CB ARG A 395 -8.286 -6.287 -1.080 1.00 15.00 C ATOM 491 CG ARG A 395 -9.425 -5.294 -1.254 1.00 15.00 C ATOM 492 CD ARG A 395 -8.921 -3.976 -1.811 1.00 15.00 C ATOM 493 NE ARG A 395 -9.555 -2.824 -1.174 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.376 -1.572 -1.586 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.728 -1.338 -2.720 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.871 -0.558 -0.892 1.00 15.00 N ATOM 0 H ARG A 395 -6.484 -7.783 -0.275 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.756 -4.944 -0.367 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.784 -6.424 -2.038 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.698 -7.255 -0.795 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.176 -5.712 -1.924 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.913 -5.124 -0.294 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.841 -3.915 -1.673 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.108 -3.943 -2.884 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.165 -2.988 -0.373 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.369 -2.117 -3.272 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.589 -0.379 -3.039 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.394 -0.734 -0.034 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.729 0.399 -1.215 1.00 15.00 H new ATOM 510 N PRO A 396 -7.857 -4.325 1.785 1.00 15.00 N ATOM 511 CA PRO A 396 -8.589 -3.892 2.973 1.00 15.00 C ATOM 512 C PRO A 396 -10.080 -3.782 2.687 1.00 15.00 C ATOM 513 O PRO A 396 -10.490 -3.213 1.668 1.00 15.00 O ATOM 514 CB PRO A 396 -7.996 -2.514 3.282 1.00 15.00 C ATOM 515 CG PRO A 396 -7.471 -2.027 1.978 1.00 15.00 C ATOM 516 CD PRO A 396 -7.010 -3.248 1.236 1.00 15.00 C ATOM 0 HA PRO A 396 -8.494 -4.593 3.802 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.752 -1.838 3.682 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.204 -2.582 4.027 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.244 -1.499 1.419 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.649 -1.326 2.125 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.146 -3.139 0.160 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.951 -3.444 1.405 1.00 15.00 H new ATOM 524 N ILE A 397 -10.887 -4.353 3.566 1.00 15.00 N ATOM 525 CA ILE A 397 -12.330 -4.292 3.420 1.00 15.00 C ATOM 526 C ILE A 397 -12.859 -2.964 3.950 1.00 15.00 C ATOM 527 O ILE A 397 -13.588 -2.252 3.254 1.00 15.00 O ATOM 528 CB ILE A 397 -13.026 -5.459 4.151 1.00 15.00 C ATOM 529 CG1 ILE A 397 -12.517 -6.801 3.612 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.535 -5.355 3.992 1.00 15.00 C ATOM 531 CD1 ILE A 397 -13.108 -8.006 4.313 1.00 15.00 C ATOM 0 H ILE A 397 -10.566 -4.864 4.388 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.556 -4.376 2.357 1.00 15.00 H new ATOM 0 HB ILE A 397 -12.787 -5.401 5.213 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -12.744 -6.864 2.548 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -11.432 -6.832 3.709 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.014 -6.184 4.512 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -14.881 -4.412 4.416 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -14.793 -5.394 2.934 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -12.700 -8.917 3.876 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -12.859 -7.969 5.373 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.192 -8.001 4.195 1.00 15.00 H new ATOM 543 N GLY A 398 -12.493 -2.646 5.181 1.00 15.00 N ATOM 544 CA GLY A 398 -12.868 -1.378 5.766 1.00 15.00 C ATOM 545 C GLY A 398 -11.831 -0.316 5.486 1.00 15.00 C ATOM 546 O GLY A 398 -10.642 -0.673 5.356 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.191 0.875 5.397 1.00 15.00 O ATOM 0 H GLY A 398 -11.939 -3.249 5.789 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -13.832 -1.062 5.367 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -12.991 -1.494 6.843 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.104 -13.740 -3.206 1.00 15.00 N ATOM 553 CA GLU B 203 1.090 -13.048 -3.746 1.00 15.00 C ATOM 554 C GLU B 203 2.378 -13.774 -3.346 1.00 15.00 C ATOM 555 O GLU B 203 3.270 -13.957 -4.173 1.00 15.00 O ATOM 556 CB GLU B 203 1.135 -11.562 -3.306 1.00 15.00 C ATOM 557 CG GLU B 203 1.277 -11.310 -1.806 1.00 15.00 C ATOM 558 CD GLU B 203 0.236 -12.025 -0.967 1.00 15.00 C ATOM 559 OE1 GLU B 203 0.480 -13.192 -0.597 1.00 15.00 O1- ATOM 560 OE2 GLU B 203 -0.829 -11.446 -0.695 1.00 15.00 O ATOM 0 HA GLU B 203 1.013 -13.069 -4.833 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.968 -11.078 -3.816 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.224 -11.074 -3.651 1.00 15.00 H new ATOM 0 HG2 GLU B 203 2.269 -11.627 -1.486 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.209 -10.238 -1.618 1.00 15.00 H new ATOM 569 N LEU B 204 2.474 -14.171 -2.067 1.00 15.00 N ATOM 570 CA LEU B 204 3.671 -14.832 -1.525 1.00 15.00 C ATOM 571 C LEU B 204 4.891 -13.918 -1.630 1.00 15.00 C ATOM 572 O LEU B 204 6.028 -14.344 -1.421 1.00 15.00 O ATOM 573 CB LEU B 204 3.944 -16.170 -2.231 1.00 15.00 C ATOM 574 CG LEU B 204 3.094 -17.355 -1.751 1.00 15.00 C ATOM 575 CD1 LEU B 204 1.638 -17.194 -2.160 1.00 15.00 C ATOM 576 CD2 LEU B 204 3.658 -18.662 -2.283 1.00 15.00 C ATOM 0 H LEU B 204 1.728 -14.044 -1.383 1.00 15.00 H new ATOM 0 HA LEU B 204 3.480 -15.040 -0.472 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.780 -16.037 -3.300 1.00 15.00 H new ATOM 0 HB3 LEU B 204 4.996 -16.423 -2.099 1.00 15.00 H new ATOM 0 HG LEU B 204 3.132 -17.376 -0.662 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.064 -18.050 -1.805 1.00 15.00 H new ATOM 0 HD12 LEU B 204 1.236 -16.280 -1.722 1.00 15.00 H new ATOM 0 HD13 LEU B 204 1.569 -17.137 -3.246 1.00 15.00 H new ATOM 0 HD21 LEU B 204 3.044 -19.492 -1.934 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.656 -18.642 -3.373 1.00 15.00 H new ATOM 0 HD23 LEU B 204 4.679 -18.790 -1.925 1.00 15.00 H new ATOM 588 N GLU B 205 4.628 -12.653 -1.914 1.00 15.00 N ATOM 589 CA GLU B 205 5.664 -11.648 -2.062 1.00 15.00 C ATOM 590 C GLU B 205 6.188 -11.201 -0.708 1.00 15.00 C ATOM 591 O GLU B 205 5.418 -11.064 0.251 1.00 15.00 O ATOM 592 CB GLU B 205 5.100 -10.444 -2.814 1.00 15.00 C ATOM 593 CG GLU B 205 5.012 -10.640 -4.317 1.00 15.00 C ATOM 594 CD GLU B 205 6.358 -10.493 -4.997 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.320 -10.053 -4.332 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 6.454 -10.781 -6.203 1.00 15.00 O ATOM 0 H GLU B 205 3.683 -12.294 -2.049 1.00 15.00 H new ATOM 0 HA GLU B 205 6.491 -12.084 -2.623 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.105 -10.221 -2.428 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.724 -9.575 -2.607 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.607 -11.629 -4.529 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.315 -9.914 -4.735 1.00 15.00 H new ATOM 603 N SER B 206 7.493 -10.969 -0.649 1.00 15.00 N ATOM 604 CA SER B 206 8.128 -10.387 0.522 1.00 15.00 C ATOM 605 C SER B 206 7.402 -9.097 0.903 1.00 15.00 C ATOM 606 O SER B 206 6.997 -8.338 0.023 1.00 15.00 O ATOM 607 CB SER B 206 9.603 -10.100 0.205 1.00 15.00 C ATOM 608 OG SER B 206 10.311 -9.664 1.354 1.00 15.00 O ATOM 0 H SER B 206 8.138 -11.179 -1.411 1.00 15.00 H new ATOM 0 HA SER B 206 8.074 -11.081 1.361 1.00 15.00 H new ATOM 0 HB2 SER B 206 10.072 -11.001 -0.191 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.667 -9.339 -0.572 1.00 15.00 H new ATOM 0 HG SER B 206 11.246 -9.492 1.116 1.00 15.00 H new ATOM 614 N PRO B 207 7.246 -8.822 2.214 1.00 15.00 N ATOM 615 CA PRO B 207 6.512 -7.644 2.697 1.00 15.00 C ATOM 616 C PRO B 207 6.958 -6.363 1.994 1.00 15.00 C ATOM 617 O PRO B 207 8.161 -6.121 1.860 1.00 15.00 O ATOM 618 CB PRO B 207 6.880 -7.592 4.177 1.00 15.00 C ATOM 619 CG PRO B 207 7.156 -9.005 4.542 1.00 15.00 C ATOM 620 CD PRO B 207 7.758 -9.644 3.324 1.00 15.00 C ATOM 0 HA PRO B 207 5.441 -7.718 2.509 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.752 -6.961 4.347 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.067 -7.180 4.774 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.840 -9.062 5.389 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.240 -9.517 4.837 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.847 -9.633 3.362 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.453 -10.686 3.225 1.00 15.00 H new ATOM 628 N PRO B 208 5.992 -5.530 1.546 1.00 15.00 N ATOM 629 CA PRO B 208 6.267 -4.339 0.726 1.00 15.00 C ATOM 630 C PRO B 208 7.368 -3.448 1.281 1.00 15.00 C ATOM 631 O PRO B 208 7.609 -3.404 2.492 1.00 15.00 O ATOM 632 CB PRO B 208 4.940 -3.587 0.754 1.00 15.00 C ATOM 633 CG PRO B 208 3.925 -4.652 0.893 1.00 15.00 C ATOM 634 CD PRO B 208 4.542 -5.685 1.793 1.00 15.00 C ATOM 0 HA PRO B 208 6.618 -4.623 -0.266 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.897 -2.885 1.586 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.790 -3.010 -0.158 1.00 15.00 H new ATOM 0 HG2 PRO B 208 3.002 -4.260 1.321 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.670 -5.079 -0.077 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.291 -5.509 2.839 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.197 -6.690 1.548 1.00 15.00 H new ATOM 642 N PRO B 209 8.025 -2.711 0.375 1.00 15.00 N ATOM 643 CA PRO B 209 9.102 -1.777 0.713 1.00 15.00 C ATOM 644 C PRO B 209 8.715 -0.841 1.863 1.00 15.00 C ATOM 645 O PRO B 209 7.570 -0.386 1.939 1.00 15.00 O ATOM 646 CB PRO B 209 9.283 -0.996 -0.591 1.00 15.00 C ATOM 647 CG PRO B 209 8.898 -1.965 -1.650 1.00 15.00 C ATOM 648 CD PRO B 209 7.749 -2.732 -1.078 1.00 15.00 C ATOM 0 HA PRO B 209 10.006 -2.280 1.058 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.652 -0.108 -0.615 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.312 -0.659 -0.714 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.611 -1.452 -2.568 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.728 -2.626 -1.900 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.794 -2.263 -1.314 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.710 -3.750 -1.467 1.00 15.00 H new ATOM 656 N PRO B 210 9.675 -0.535 2.765 1.00 15.00 N ATOM 657 CA PRO B 210 9.415 0.256 3.977 1.00 15.00 C ATOM 658 C PRO B 210 8.640 1.542 3.708 1.00 15.00 C ATOM 659 O PRO B 210 9.052 2.384 2.906 1.00 15.00 O ATOM 660 CB PRO B 210 10.817 0.596 4.485 1.00 15.00 C ATOM 661 CG PRO B 210 11.686 -0.499 3.984 1.00 15.00 C ATOM 662 CD PRO B 210 11.092 -0.949 2.675 1.00 15.00 C ATOM 0 HA PRO B 210 8.797 -0.300 4.682 1.00 15.00 H new ATOM 0 HB2 PRO B 210 11.148 1.565 4.110 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.840 0.651 5.573 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.710 -0.150 3.846 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.723 -1.323 4.697 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.592 -0.480 1.827 1.00 15.00 H new ATOM 0 HD3 PRO B 210 11.185 -2.027 2.544 1.00 15.00 H new ATOM 670 N TYR B 211 7.517 1.682 4.394 1.00 15.00 N ATOM 671 CA TYR B 211 6.663 2.845 4.242 1.00 15.00 C ATOM 672 C TYR B 211 6.839 3.793 5.422 1.00 15.00 C ATOM 673 O TYR B 211 6.655 3.401 6.575 1.00 15.00 O ATOM 674 CB TYR B 211 5.196 2.413 4.141 1.00 15.00 C ATOM 675 CG TYR B 211 4.255 3.548 3.811 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.699 4.344 4.810 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.928 3.828 2.494 1.00 15.00 C ATOM 678 CE1 TYR B 211 2.845 5.385 4.495 1.00 15.00 C ATOM 679 CE2 TYR B 211 3.081 4.864 2.177 1.00 15.00 C ATOM 680 CZ TYR B 211 2.543 5.636 3.179 1.00 15.00 C ATOM 681 OH TYR B 211 1.707 6.673 2.859 1.00 15.00 O ATOM 0 H TYR B 211 7.175 0.996 5.067 1.00 15.00 H new ATOM 0 HA TYR B 211 6.948 3.364 3.327 1.00 15.00 H new ATOM 0 HB2 TYR B 211 5.104 1.642 3.376 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.892 1.963 5.086 1.00 15.00 H new ATOM 0 HD1 TYR B 211 3.938 4.145 5.844 1.00 15.00 H new ATOM 0 HD2 TYR B 211 4.345 3.222 1.703 1.00 15.00 H new ATOM 0 HE1 TYR B 211 2.419 5.996 5.277 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.839 5.070 1.145 1.00 15.00 H new ATOM 0 HH TYR B 211 2.151 7.524 3.057 1.00 15.00 H new ATOM 691 N SER B 212 7.196 5.031 5.133 1.00 15.00 N ATOM 692 CA SER B 212 7.272 6.052 6.162 1.00 15.00 C ATOM 693 C SER B 212 6.193 7.107 5.943 1.00 15.00 C ATOM 694 O SER B 212 5.210 7.163 6.680 1.00 15.00 O ATOM 695 CB SER B 212 8.659 6.696 6.182 1.00 15.00 C ATOM 696 OG SER B 212 9.651 5.741 6.516 1.00 15.00 O ATOM 0 H SER B 212 7.438 5.354 4.196 1.00 15.00 H new ATOM 0 HA SER B 212 7.103 5.580 7.130 1.00 15.00 H new ATOM 0 HB2 SER B 212 8.878 7.129 5.206 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.676 7.512 6.904 1.00 15.00 H new ATOM 0 HG SER B 212 10.531 6.172 6.522 1.00 15.00 H new ATOM 702 N ARG B 213 6.355 7.915 4.906 1.00 15.00 N ATOM 703 CA ARG B 213 5.409 8.987 4.633 1.00 15.00 C ATOM 704 C ARG B 213 4.741 8.785 3.275 1.00 15.00 C ATOM 705 O ARG B 213 3.512 8.807 3.165 1.00 15.00 O ATOM 706 CB ARG B 213 6.122 10.337 4.683 1.00 15.00 C ATOM 707 CG ARG B 213 5.186 11.529 4.620 1.00 15.00 C ATOM 708 CD ARG B 213 5.954 12.838 4.670 1.00 15.00 C ATOM 709 NE ARG B 213 6.796 13.027 3.490 1.00 15.00 N ATOM 710 CZ ARG B 213 7.501 14.130 3.252 1.00 15.00 C ATOM 711 NH1 ARG B 213 7.558 15.094 4.162 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 8.166 14.259 2.112 1.00 15.00 N ATOM 0 H ARG B 213 7.128 7.850 4.243 1.00 15.00 H new ATOM 0 HA ARG B 213 4.633 8.970 5.398 1.00 15.00 H new ATOM 0 HB2 ARG B 213 6.706 10.394 5.601 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.826 10.396 3.853 1.00 15.00 H new ATOM 0 HG2 ARG B 213 4.599 11.485 3.703 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.483 11.486 5.451 1.00 15.00 H new ATOM 0 HD2 ARG B 213 5.251 13.667 4.750 1.00 15.00 H new ATOM 0 HD3 ARG B 213 6.575 12.859 5.565 1.00 15.00 H new ATOM 0 HE ARG B 213 6.846 12.269 2.809 1.00 15.00 H new ATOM 0 HH11 ARG B 213 7.061 14.990 5.046 1.00 15.00 H new ATOM 0 HH12 ARG B 213 8.099 15.939 3.977 1.00 15.00 H new ATOM 0 HH21 ARG B 213 8.137 13.513 1.417 1.00 15.00 H new ATOM 0 HH22 ARG B 213 8.706 15.105 1.930 1.00 15.00 H new ATOM 726 N TYR B 214 5.557 8.596 2.249 1.00 15.00 N ATOM 727 CA TYR B 214 5.068 8.337 0.902 1.00 15.00 C ATOM 728 C TYR B 214 5.500 6.949 0.445 1.00 15.00 C ATOM 729 O TYR B 214 6.580 6.479 0.816 1.00 15.00 O ATOM 730 CB TYR B 214 5.595 9.396 -0.071 1.00 15.00 C ATOM 731 CG TYR B 214 4.835 10.703 -0.024 1.00 15.00 C ATOM 732 CD1 TYR B 214 3.682 10.882 -0.776 1.00 15.00 C ATOM 733 CD2 TYR B 214 5.274 11.758 0.763 1.00 15.00 C ATOM 734 CE1 TYR B 214 2.988 12.075 -0.744 1.00 15.00 C ATOM 735 CE2 TYR B 214 4.586 12.955 0.799 1.00 15.00 C ATOM 736 CZ TYR B 214 3.444 13.108 0.043 1.00 15.00 C ATOM 737 OH TYR B 214 2.755 14.299 0.077 1.00 15.00 O ATOM 0 H TYR B 214 6.574 8.618 2.325 1.00 15.00 H new ATOM 0 HA TYR B 214 3.979 8.384 0.914 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.645 9.589 0.151 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.551 8.998 -1.085 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.322 10.075 -1.396 1.00 15.00 H new ATOM 0 HD2 TYR B 214 6.168 11.641 1.357 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.092 12.197 -1.334 1.00 15.00 H new ATOM 0 HE2 TYR B 214 4.941 13.767 1.416 1.00 15.00 H new ATOM 0 HH TYR B 214 3.209 14.922 0.682 1.00 15.00 H new ATOM 747 N PRO B 215 4.667 6.283 -0.371 1.00 15.00 N ATOM 748 CA PRO B 215 4.955 4.933 -0.871 1.00 15.00 C ATOM 749 C PRO B 215 6.104 4.919 -1.874 1.00 15.00 C ATOM 750 O PRO B 215 6.137 5.720 -2.809 1.00 15.00 O ATOM 751 CB PRO B 215 3.650 4.518 -1.552 1.00 15.00 C ATOM 752 CG PRO B 215 2.988 5.800 -1.930 1.00 15.00 C ATOM 753 CD PRO B 215 3.376 6.794 -0.872 1.00 15.00 C ATOM 0 HA PRO B 215 5.266 4.262 -0.070 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.842 3.899 -2.429 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.023 3.933 -0.880 1.00 15.00 H new ATOM 0 HG2 PRO B 215 3.314 6.132 -2.916 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.905 5.681 -1.976 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.475 7.799 -1.283 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.631 6.846 -0.079 1.00 15.00 H new ATOM 761 N MET B 216 7.034 3.998 -1.681 1.00 15.00 N ATOM 762 CA MET B 216 8.194 3.887 -2.551 1.00 15.00 C ATOM 763 C MET B 216 8.387 2.436 -2.972 1.00 15.00 C ATOM 764 O MET B 216 8.358 1.533 -2.140 1.00 15.00 O ATOM 765 CB MET B 216 9.446 4.419 -1.838 1.00 15.00 C ATOM 766 CG MET B 216 9.903 3.568 -0.661 1.00 15.00 C ATOM 767 SD MET B 216 11.232 4.338 0.282 1.00 15.00 S ATOM 768 CE MET B 216 10.332 5.638 1.124 1.00 15.00 C ATOM 0 H MET B 216 7.008 3.313 -0.926 1.00 15.00 H new ATOM 0 HA MET B 216 8.030 4.489 -3.445 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.260 4.488 -2.560 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.247 5.431 -1.485 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.055 3.383 -0.001 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.239 2.598 -1.028 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.932 6.020 1.949 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.121 6.446 0.424 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.395 5.239 1.512 1.00 15.00 H new ATOM 778 N ASP B 217 8.573 2.217 -4.263 1.00 15.00 N ATOM 779 CA ASP B 217 8.770 0.873 -4.790 1.00 15.00 C ATOM 780 C ASP B 217 9.855 0.889 -5.851 1.00 15.00 C ATOM 781 O ASP B 217 10.877 0.194 -5.677 1.00 15.00 O ATOM 782 CB ASP B 217 7.467 0.323 -5.375 1.00 15.00 C ATOM 783 CG ASP B 217 7.637 -1.053 -5.993 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.735 -2.045 -5.237 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 7.676 -1.145 -7.237 1.00 15.00 O ATOM 786 OXT ASP B 217 9.702 1.632 -6.840 1.00 15.00 O ATOM 0 H ASP B 217 8.592 2.953 -4.969 1.00 15.00 H new ATOM 0 HA ASP B 217 9.079 0.221 -3.973 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.713 0.273 -4.589 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.094 1.013 -6.132 1.00 15.00 H new TER 791 ASP B 217