USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=14 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= 2.09 K(o=3.2,f=-15!) USER MOD Set 1.2: B 211 TYR OH : rot 38:sc= 1.15 USER MOD Set 2.1: A 385 ASN : amide:sc= -1.83! C(o=-4.2!,f=-7.7!) USER MOD Set 2.2: A 388 ASN : amide:sc= -2.42! C(o=-4.2!,f=-15!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0238) USER MOD Single : A 378 LYS NZ :NH3+ 170:sc= 2.18 (180deg=1.58!) USER MOD Single : A 381 THR OG1 : rot 180:sc= 0 USER MOD Single : A 382 TYR OH : rot -157:sc= 1.11 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 41:sc= 0.336 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.0992 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= -0.52 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 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -15.607 -0.756 -5.637 1.00 15.00 N ATOM 2 CA PRO A 365 -14.604 -1.131 -4.620 1.00 15.00 C ATOM 3 C PRO A 365 -14.664 -0.181 -3.432 1.00 15.00 C ATOM 4 O PRO A 365 -14.607 1.036 -3.604 1.00 15.00 O ATOM 5 CB PRO A 365 -13.224 -1.096 -5.261 1.00 15.00 C ATOM 6 CG PRO A 365 -13.492 -0.704 -6.677 1.00 15.00 C ATOM 7 CD PRO A 365 -14.956 -0.992 -6.934 1.00 15.00 C ATOM 0 HA PRO A 365 -14.814 -2.136 -4.253 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -12.572 -0.377 -4.765 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -12.732 -2.067 -5.202 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -13.271 0.351 -6.836 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -12.860 -1.269 -7.362 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -15.360 -0.338 -7.707 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -15.106 -2.017 -7.274 1.00 15.00 H new ATOM 17 N GLY A 366 -14.792 -0.739 -2.234 1.00 15.00 N ATOM 18 CA GLY A 366 -14.831 0.080 -1.036 1.00 15.00 C ATOM 19 C GLY A 366 -13.475 0.670 -0.703 1.00 15.00 C ATOM 20 O GLY A 366 -12.629 0.002 -0.109 1.00 15.00 O ATOM 0 H GLY A 366 -14.869 -1.743 -2.070 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.553 0.886 -1.172 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -15.180 -0.522 -0.197 1.00 15.00 H new ATOM 24 N LEU A 367 -13.268 1.920 -1.095 1.00 15.00 N ATOM 25 CA LEU A 367 -11.995 2.594 -0.877 1.00 15.00 C ATOM 26 C LEU A 367 -12.072 3.443 0.393 1.00 15.00 C ATOM 27 O LEU A 367 -12.921 4.332 0.502 1.00 15.00 O ATOM 28 CB LEU A 367 -11.650 3.468 -2.097 1.00 15.00 C ATOM 29 CG LEU A 367 -10.165 3.827 -2.276 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.916 4.345 -3.682 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.717 4.869 -1.264 1.00 15.00 C ATOM 0 H LEU A 367 -13.969 2.490 -1.568 1.00 15.00 H new ATOM 0 HA LEU A 367 -11.207 1.851 -0.751 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.988 2.952 -2.995 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.221 4.394 -2.028 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.585 2.919 -2.112 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.861 4.596 -3.796 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.187 3.577 -4.406 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.521 5.235 -3.854 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.663 5.098 -1.420 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.308 5.776 -1.390 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.858 4.481 -0.255 1.00 15.00 H new ATOM 43 N PRO A 368 -11.195 3.178 1.374 1.00 15.00 N ATOM 44 CA PRO A 368 -11.163 3.925 2.627 1.00 15.00 C ATOM 45 C PRO A 368 -10.240 5.146 2.569 1.00 15.00 C ATOM 46 O PRO A 368 -9.151 5.097 1.996 1.00 15.00 O ATOM 47 CB PRO A 368 -10.620 2.887 3.608 1.00 15.00 C ATOM 48 CG PRO A 368 -9.722 2.013 2.795 1.00 15.00 C ATOM 49 CD PRO A 368 -10.192 2.095 1.362 1.00 15.00 C ATOM 0 HA PRO A 368 -12.137 4.335 2.892 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.074 3.363 4.423 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.428 2.311 4.059 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.686 2.342 2.879 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.760 0.984 3.153 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.369 2.322 0.685 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.627 1.152 1.031 1.00 15.00 H new ATOM 57 N SER A 369 -10.672 6.232 3.201 1.00 15.00 N ATOM 58 CA SER A 369 -9.925 7.480 3.183 1.00 15.00 C ATOM 59 C SER A 369 -8.643 7.351 3.999 1.00 15.00 C ATOM 60 O SER A 369 -8.660 6.916 5.154 1.00 15.00 O ATOM 61 CB SER A 369 -10.792 8.609 3.743 1.00 15.00 C ATOM 62 OG SER A 369 -11.997 8.744 3.004 1.00 15.00 O ATOM 0 H SER A 369 -11.541 6.271 3.734 1.00 15.00 H new ATOM 0 HA SER A 369 -9.655 7.711 2.153 1.00 15.00 H new ATOM 0 HB2 SER A 369 -11.024 8.409 4.789 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.237 9.547 3.714 1.00 15.00 H new ATOM 0 HG SER A 369 -12.534 9.471 3.383 1.00 15.00 H new ATOM 68 N GLY A 370 -7.533 7.735 3.392 1.00 15.00 N ATOM 69 CA GLY A 370 -6.245 7.593 4.034 1.00 15.00 C ATOM 70 C GLY A 370 -5.404 6.534 3.360 1.00 15.00 C ATOM 71 O GLY A 370 -4.181 6.517 3.498 1.00 15.00 O ATOM 0 H GLY A 370 -7.501 8.146 2.459 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.718 8.547 4.010 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.387 7.333 5.083 1.00 15.00 H new ATOM 75 N TRP A 371 -6.063 5.658 2.622 1.00 15.00 N ATOM 76 CA TRP A 371 -5.388 4.583 1.917 1.00 15.00 C ATOM 77 C TRP A 371 -5.183 4.945 0.456 1.00 15.00 C ATOM 78 O TRP A 371 -6.136 5.266 -0.251 1.00 15.00 O ATOM 79 CB TRP A 371 -6.205 3.292 1.992 1.00 15.00 C ATOM 80 CG TRP A 371 -6.258 2.667 3.353 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.925 3.133 4.450 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.633 1.441 3.754 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.754 2.270 5.507 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.964 1.225 5.104 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.825 0.508 3.100 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.516 0.111 5.809 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.380 -0.596 3.802 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.727 -0.786 5.145 1.00 15.00 C ATOM 0 H TRP A 371 -7.075 5.671 2.495 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.420 4.432 2.395 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.223 3.502 1.663 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.785 2.570 1.291 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.502 4.045 4.483 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.151 2.388 6.439 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.553 0.647 2.064 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.783 -0.039 6.845 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.755 -1.324 3.307 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.364 -1.659 5.667 1.00 15.00 H new ATOM 99 N GLU A 372 -3.941 4.902 0.008 1.00 15.00 N ATOM 100 CA GLU A 372 -3.651 5.038 -1.405 1.00 15.00 C ATOM 101 C GLU A 372 -3.299 3.681 -1.992 1.00 15.00 C ATOM 102 O GLU A 372 -2.262 3.093 -1.674 1.00 15.00 O ATOM 103 CB GLU A 372 -2.537 6.052 -1.664 1.00 15.00 C ATOM 104 CG GLU A 372 -3.026 7.471 -1.869 1.00 15.00 C ATOM 105 CD GLU A 372 -1.891 8.410 -2.195 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.497 8.486 -3.378 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -1.365 9.057 -1.265 1.00 15.00 O ATOM 0 H GLU A 372 -3.121 4.774 0.601 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.545 5.418 -1.899 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.844 6.036 -0.823 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -1.976 5.742 -2.546 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.758 7.491 -2.676 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.535 7.814 -0.968 1.00 15.00 H new ATOM 114 N GLU A 373 -4.189 3.184 -2.827 1.00 15.00 N ATOM 115 CA GLU A 373 -4.043 1.872 -3.430 1.00 15.00 C ATOM 116 C GLU A 373 -3.365 2.031 -4.768 1.00 15.00 C ATOM 117 O GLU A 373 -3.967 2.515 -5.727 1.00 15.00 O ATOM 118 CB GLU A 373 -5.415 1.251 -3.610 1.00 15.00 C ATOM 119 CG GLU A 373 -6.382 1.732 -2.551 1.00 15.00 C ATOM 120 CD GLU A 373 -7.797 1.239 -2.767 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.117 0.800 -3.893 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.588 1.252 -1.804 1.00 15.00 O ATOM 0 H GLU A 373 -5.036 3.678 -3.108 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.442 1.224 -2.792 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.802 1.500 -4.598 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.333 0.165 -3.564 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.034 1.400 -1.573 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.382 2.822 -2.536 1.00 15.00 H new ATOM 129 N ARG A 374 -2.105 1.669 -4.825 1.00 15.00 N ATOM 130 CA ARG A 374 -1.284 2.047 -5.948 1.00 15.00 C ATOM 131 C ARG A 374 -0.559 0.848 -6.528 1.00 15.00 C ATOM 132 O ARG A 374 0.156 0.129 -5.828 1.00 15.00 O ATOM 133 CB ARG A 374 -0.321 3.135 -5.492 1.00 15.00 C ATOM 134 CG ARG A 374 -1.047 4.365 -4.959 1.00 15.00 C ATOM 135 CD ARG A 374 -0.099 5.303 -4.235 1.00 15.00 C ATOM 136 NE ARG A 374 1.037 5.686 -5.073 1.00 15.00 N ATOM 137 CZ ARG A 374 1.318 6.940 -5.424 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.567 7.948 -4.998 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.363 7.187 -6.197 1.00 15.00 N ATOM 0 H ARG A 374 -1.629 1.117 -4.111 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.908 2.438 -6.751 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.332 2.737 -4.716 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.317 3.426 -6.327 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.523 4.894 -5.785 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.841 4.054 -4.280 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.640 6.198 -3.926 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.266 4.821 -3.328 1.00 15.00 H new ATOM 0 HE ARG A 374 1.653 4.946 -5.410 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.235 7.767 -4.395 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.792 8.904 -5.274 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.950 6.419 -6.522 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.582 8.146 -6.468 1.00 15.00 H new ATOM 153 N LYS A 375 -0.759 0.644 -7.817 1.00 15.00 N ATOM 154 CA LYS A 375 -0.222 -0.509 -8.507 1.00 15.00 C ATOM 155 C LYS A 375 0.978 -0.085 -9.341 1.00 15.00 C ATOM 156 O LYS A 375 0.863 0.758 -10.230 1.00 15.00 O ATOM 157 CB LYS A 375 -1.306 -1.158 -9.387 1.00 15.00 C ATOM 158 CG LYS A 375 -2.497 -1.718 -8.605 1.00 15.00 C ATOM 159 CD LYS A 375 -3.406 -0.628 -8.040 1.00 15.00 C ATOM 160 CE LYS A 375 -4.123 0.153 -9.130 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.168 -0.654 -9.809 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.298 1.273 -8.412 1.00 15.00 H new ATOM 0 HA LYS A 375 0.103 -1.251 -7.778 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.670 -0.419 -10.101 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.854 -1.964 -9.965 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.080 -2.367 -9.258 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.129 -2.337 -7.787 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -4.143 -1.081 -7.377 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.813 0.058 -7.436 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -4.579 1.042 -8.696 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -3.396 0.495 -9.867 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.696 -0.051 -10.472 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.720 -1.433 -10.332 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.821 -1.044 -9.100 1.00 15.00 H new ATOM 175 N ASP A 376 2.128 -0.661 -9.046 1.00 15.00 N ATOM 176 CA ASP A 376 3.365 -0.253 -9.693 1.00 15.00 C ATOM 177 C ASP A 376 3.600 -1.070 -10.961 1.00 15.00 C ATOM 178 O ASP A 376 3.216 -2.237 -11.031 1.00 15.00 O ATOM 179 CB ASP A 376 4.535 -0.425 -8.730 1.00 15.00 C ATOM 180 CG ASP A 376 5.544 0.694 -8.858 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.203 0.792 -9.912 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 5.681 1.484 -7.907 1.00 15.00 O ATOM 0 H ASP A 376 2.234 -1.412 -8.364 1.00 15.00 H new ATOM 0 HA ASP A 376 3.285 0.798 -9.971 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.160 -0.460 -7.707 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.026 -1.379 -8.922 1.00 15.00 H new ATOM 187 N ALA A 377 4.271 -0.458 -11.937 1.00 15.00 N ATOM 188 CA ALA A 377 4.415 -1.025 -13.283 1.00 15.00 C ATOM 189 C ALA A 377 5.117 -2.388 -13.301 1.00 15.00 C ATOM 190 O ALA A 377 4.884 -3.190 -14.206 1.00 15.00 O ATOM 191 CB ALA A 377 5.148 -0.046 -14.185 1.00 15.00 C ATOM 0 H ALA A 377 4.731 0.445 -11.819 1.00 15.00 H new ATOM 0 HA ALA A 377 3.405 -1.195 -13.657 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.250 -0.476 -15.182 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.583 0.884 -14.247 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.137 0.157 -13.774 1.00 15.00 H new ATOM 197 N LYS A 378 5.966 -2.653 -12.308 1.00 15.00 N ATOM 198 CA LYS A 378 6.651 -3.951 -12.210 1.00 15.00 C ATOM 199 C LYS A 378 5.651 -5.057 -11.894 1.00 15.00 C ATOM 200 O LYS A 378 5.953 -6.246 -12.010 1.00 15.00 O ATOM 201 CB LYS A 378 7.741 -3.972 -11.130 1.00 15.00 C ATOM 202 CG LYS A 378 8.625 -2.743 -11.071 1.00 15.00 C ATOM 203 CD LYS A 378 8.015 -1.687 -10.174 1.00 15.00 C ATOM 204 CE LYS A 378 9.084 -0.797 -9.564 1.00 15.00 C ATOM 205 NZ LYS A 378 8.530 0.074 -8.500 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.198 -1.995 -11.564 1.00 15.00 H new ATOM 0 HA LYS A 378 7.123 -4.115 -13.179 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.263 -4.101 -10.159 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.373 -4.845 -11.293 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.612 -3.017 -10.699 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.763 -2.340 -12.074 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.316 -1.079 -10.748 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.442 -2.167 -9.381 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.880 -1.416 -9.150 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.532 -0.180 -10.343 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.309 0.541 -7.993 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 7.913 0.794 -8.927 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.979 -0.502 -7.832 1.00 15.00 H new ATOM 219 N GLY A 379 4.467 -4.644 -11.482 1.00 15.00 N ATOM 220 CA GLY A 379 3.496 -5.553 -10.934 1.00 15.00 C ATOM 221 C GLY A 379 3.644 -5.676 -9.439 1.00 15.00 C ATOM 222 O GLY A 379 3.899 -6.752 -8.898 1.00 15.00 O ATOM 0 H GLY A 379 4.159 -3.672 -11.520 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.492 -5.204 -11.175 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.612 -6.534 -11.395 1.00 15.00 H new ATOM 226 N ARG A 380 3.496 -4.538 -8.779 1.00 15.00 N ATOM 227 CA ARG A 380 3.557 -4.457 -7.331 1.00 15.00 C ATOM 228 C ARG A 380 2.321 -3.721 -6.831 1.00 15.00 C ATOM 229 O ARG A 380 2.253 -2.493 -6.903 1.00 15.00 O ATOM 230 CB ARG A 380 4.828 -3.718 -6.899 1.00 15.00 C ATOM 231 CG ARG A 380 6.114 -4.364 -7.399 1.00 15.00 C ATOM 232 CD ARG A 380 6.688 -5.340 -6.385 1.00 15.00 C ATOM 233 NE ARG A 380 7.304 -4.643 -5.259 1.00 15.00 N ATOM 234 CZ ARG A 380 7.902 -5.245 -4.233 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.980 -6.570 -4.173 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.434 -4.504 -3.270 1.00 15.00 N ATOM 0 H ARG A 380 3.330 -3.642 -9.236 1.00 15.00 H new ATOM 0 HA ARG A 380 3.584 -5.460 -6.904 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.782 -2.692 -7.263 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.856 -3.669 -5.810 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.918 -4.886 -8.335 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.850 -3.589 -7.614 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.896 -5.994 -6.020 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.429 -5.976 -6.870 1.00 15.00 H new ATOM 0 HE ARG A 380 7.274 -3.623 -5.259 1.00 15.00 H new ATOM 0 HH11 ARG A 380 7.579 -7.139 -4.919 1.00 15.00 H new ATOM 0 HH12 ARG A 380 8.441 -7.018 -3.381 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.382 -3.487 -3.322 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.895 -4.952 -2.478 1.00 15.00 H new ATOM 250 N THR A 381 1.322 -4.468 -6.397 1.00 15.00 N ATOM 251 CA THR A 381 0.066 -3.880 -5.959 1.00 15.00 C ATOM 252 C THR A 381 0.053 -3.703 -4.441 1.00 15.00 C ATOM 253 O THR A 381 -0.346 -4.605 -3.707 1.00 15.00 O ATOM 254 CB THR A 381 -1.120 -4.767 -6.390 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.913 -5.224 -7.735 1.00 15.00 O ATOM 256 CG2 THR A 381 -2.437 -4.009 -6.325 1.00 15.00 C ATOM 0 H THR A 381 1.355 -5.486 -6.338 1.00 15.00 H new ATOM 0 HA THR A 381 -0.032 -2.900 -6.427 1.00 15.00 H new ATOM 0 HB THR A 381 -1.173 -5.611 -5.703 1.00 15.00 H new ATOM 0 HG1 THR A 381 -1.666 -5.789 -8.008 1.00 15.00 H new ATOM 0 HG21 THR A 381 -3.250 -4.665 -6.635 1.00 15.00 H new ATOM 0 HG22 THR A 381 -2.613 -3.672 -5.303 1.00 15.00 H new ATOM 0 HG23 THR A 381 -2.393 -3.146 -6.989 1.00 15.00 H new ATOM 264 N TYR A 382 0.517 -2.552 -3.973 1.00 15.00 N ATOM 265 CA TYR A 382 0.596 -2.295 -2.545 1.00 15.00 C ATOM 266 C TYR A 382 -0.410 -1.237 -2.112 1.00 15.00 C ATOM 267 O TYR A 382 -0.539 -0.180 -2.734 1.00 15.00 O ATOM 268 CB TYR A 382 2.024 -1.889 -2.144 1.00 15.00 C ATOM 269 CG TYR A 382 2.679 -0.854 -3.042 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.365 0.496 -2.935 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.623 -1.231 -3.992 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.970 1.438 -3.747 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.233 -0.294 -4.806 1.00 15.00 C ATOM 274 CZ TYR A 382 3.902 1.038 -4.678 1.00 15.00 C ATOM 275 OH TYR A 382 4.508 1.976 -5.488 1.00 15.00 O ATOM 0 H TYR A 382 0.843 -1.785 -4.561 1.00 15.00 H new ATOM 0 HA TYR A 382 0.343 -3.220 -2.027 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.002 -1.501 -1.126 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.648 -2.782 -2.131 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.636 0.815 -2.205 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.884 -2.274 -4.096 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.713 2.482 -3.651 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.964 -0.604 -5.538 1.00 15.00 H new ATOM 0 HH TYR A 382 4.834 1.542 -6.304 1.00 15.00 H new ATOM 285 N TYR A 383 -1.129 -1.538 -1.046 1.00 15.00 N ATOM 286 CA TYR A 383 -2.043 -0.583 -0.446 1.00 15.00 C ATOM 287 C TYR A 383 -1.332 0.110 0.707 1.00 15.00 C ATOM 288 O TYR A 383 -0.975 -0.538 1.693 1.00 15.00 O ATOM 289 CB TYR A 383 -3.305 -1.284 0.074 1.00 15.00 C ATOM 290 CG TYR A 383 -3.996 -2.179 -0.935 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.485 -3.436 -1.238 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.171 -1.782 -1.565 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.118 -4.267 -2.139 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.814 -2.612 -2.466 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.280 -3.853 -2.750 1.00 15.00 C ATOM 296 OH TYR A 383 -5.918 -4.689 -3.638 1.00 15.00 O ATOM 0 H TYR A 383 -1.097 -2.442 -0.575 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.346 0.144 -1.200 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -3.039 -1.881 0.946 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -4.012 -0.526 0.411 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.576 -3.768 -0.759 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.588 -0.810 -1.347 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.704 -5.239 -2.364 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.728 -2.291 -2.944 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.724 -4.249 -3.981 1.00 15.00 H new ATOM 306 N VAL A 384 -1.081 1.403 0.577 1.00 15.00 N ATOM 307 CA VAL A 384 -0.381 2.135 1.626 1.00 15.00 C ATOM 308 C VAL A 384 -1.335 3.045 2.394 1.00 15.00 C ATOM 309 O VAL A 384 -2.011 3.899 1.817 1.00 15.00 O ATOM 310 CB VAL A 384 0.814 2.956 1.083 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.907 2.045 0.554 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.381 3.923 0.005 1.00 15.00 C ATOM 0 H VAL A 384 -1.347 1.963 -0.233 1.00 15.00 H new ATOM 0 HA VAL A 384 0.020 1.384 2.307 1.00 15.00 H new ATOM 0 HB VAL A 384 1.212 3.532 1.918 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.734 2.648 0.179 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.264 1.400 1.357 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.510 1.431 -0.255 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.246 4.481 -0.352 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.061 3.370 -0.824 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.355 4.616 0.412 1.00 15.00 H new ATOM 322 N ASN A 385 -1.392 2.844 3.701 1.00 15.00 N ATOM 323 CA ASN A 385 -2.270 3.623 4.558 1.00 15.00 C ATOM 324 C ASN A 385 -1.508 4.752 5.230 1.00 15.00 C ATOM 325 O ASN A 385 -0.519 4.519 5.929 1.00 15.00 O ATOM 326 CB ASN A 385 -2.911 2.732 5.620 1.00 15.00 C ATOM 327 CG ASN A 385 -3.869 3.497 6.515 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.422 4.524 6.124 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.088 2.995 7.718 1.00 15.00 N ATOM 0 H ASN A 385 -0.837 2.144 4.193 1.00 15.00 H new ATOM 0 HA ASN A 385 -3.053 4.052 3.933 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.446 1.917 5.132 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.130 2.280 6.231 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.733 3.461 8.356 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.612 2.141 8.009 1.00 15.00 H new ATOM 336 N HIS A 386 -1.990 5.969 5.034 1.00 15.00 N ATOM 337 CA HIS A 386 -1.361 7.147 5.616 1.00 15.00 C ATOM 338 C HIS A 386 -1.858 7.382 7.041 1.00 15.00 C ATOM 339 O HIS A 386 -1.275 8.166 7.788 1.00 15.00 O ATOM 340 CB HIS A 386 -1.644 8.397 4.770 1.00 15.00 C ATOM 341 CG HIS A 386 -1.136 8.337 3.359 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.201 8.300 3.040 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.800 8.342 2.179 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.342 8.291 1.730 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.857 8.315 1.181 1.00 15.00 N ATOM 0 H HIS A 386 -2.819 6.169 4.474 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.286 6.965 5.636 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.721 8.565 4.746 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.198 9.260 5.264 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.872 8.363 2.047 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.281 8.268 1.196 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -1.052 8.314 0.180 1.00 15.00 H new ATOM 354 N ASN A 387 -2.955 6.716 7.397 1.00 15.00 N ATOM 355 CA ASN A 387 -3.579 6.895 8.709 1.00 15.00 C ATOM 356 C ASN A 387 -2.675 6.382 9.830 1.00 15.00 C ATOM 357 O ASN A 387 -2.192 7.153 10.655 1.00 15.00 O ATOM 358 CB ASN A 387 -4.934 6.179 8.759 1.00 15.00 C ATOM 359 CG ASN A 387 -5.649 6.342 10.091 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.514 7.361 10.767 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.427 5.340 10.471 1.00 15.00 N ATOM 0 H ASN A 387 -3.432 6.046 6.794 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.734 7.963 8.860 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.571 6.564 7.963 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.784 5.117 8.562 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -6.939 5.398 11.351 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.514 4.511 9.884 1.00 15.00 H new ATOM 368 N ASN A 388 -2.431 5.081 9.848 1.00 15.00 N ATOM 369 CA ASN A 388 -1.632 4.471 10.907 1.00 15.00 C ATOM 370 C ASN A 388 -0.203 4.212 10.445 1.00 15.00 C ATOM 371 O ASN A 388 0.673 3.935 11.264 1.00 15.00 O ATOM 372 CB ASN A 388 -2.283 3.188 11.438 1.00 15.00 C ATOM 373 CG ASN A 388 -2.621 2.187 10.353 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.939 2.093 9.334 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.704 1.456 10.553 1.00 15.00 N ATOM 0 H ASN A 388 -2.772 4.426 9.145 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.591 5.183 11.732 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.610 2.720 12.156 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.194 3.449 11.977 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -4.002 0.783 9.847 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -4.241 1.565 11.413 1.00 15.00 H new ATOM 382 N ARG A 389 0.005 4.284 9.126 1.00 15.00 N ATOM 383 CA ARG A 389 1.321 4.097 8.501 1.00 15.00 C ATOM 384 C ARG A 389 1.667 2.614 8.360 1.00 15.00 C ATOM 385 O ARG A 389 2.507 2.089 9.088 1.00 15.00 O ATOM 386 CB ARG A 389 2.457 4.838 9.242 1.00 15.00 C ATOM 387 CG ARG A 389 2.462 6.357 9.076 1.00 15.00 C ATOM 388 CD ARG A 389 1.342 7.030 9.856 1.00 15.00 C ATOM 389 NE ARG A 389 1.488 8.484 9.882 1.00 15.00 N ATOM 390 CZ ARG A 389 0.858 9.278 10.747 1.00 15.00 C ATOM 391 NH1 ARG A 389 -0.014 8.772 11.608 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 1.089 10.583 10.733 1.00 15.00 N ATOM 0 H ARG A 389 -0.740 4.475 8.456 1.00 15.00 H new ATOM 0 HA ARG A 389 1.241 4.540 7.508 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.388 4.605 10.305 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.412 4.447 8.892 1.00 15.00 H new ATOM 0 HG2 ARG A 389 3.421 6.753 9.409 1.00 15.00 H new ATOM 0 HG3 ARG A 389 2.364 6.604 8.019 1.00 15.00 H new ATOM 0 HD2 ARG A 389 0.382 6.770 9.409 1.00 15.00 H new ATOM 0 HD3 ARG A 389 1.332 6.649 10.877 1.00 15.00 H new ATOM 0 HE ARG A 389 2.109 8.916 9.198 1.00 15.00 H new ATOM 0 HH11 ARG A 389 -0.206 7.770 11.611 1.00 15.00 H new ATOM 0 HH12 ARG A 389 -0.493 9.385 12.268 1.00 15.00 H new ATOM 0 HH21 ARG A 389 1.748 10.977 10.061 1.00 15.00 H new ATOM 0 HH22 ARG A 389 0.608 11.193 11.394 1.00 15.00 H new ATOM 406 N THR A 390 0.963 1.935 7.463 1.00 15.00 N ATOM 407 CA THR A 390 1.248 0.541 7.154 1.00 15.00 C ATOM 408 C THR A 390 0.874 0.241 5.705 1.00 15.00 C ATOM 409 O THR A 390 -0.011 0.887 5.142 1.00 15.00 O ATOM 410 CB THR A 390 0.503 -0.432 8.098 1.00 15.00 C ATOM 411 OG1 THR A 390 0.994 -1.769 7.911 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.996 -0.410 7.845 1.00 15.00 C ATOM 0 H THR A 390 0.186 2.331 6.934 1.00 15.00 H new ATOM 0 HA THR A 390 2.317 0.388 7.301 1.00 15.00 H new ATOM 0 HB THR A 390 0.687 -0.108 9.122 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.519 -2.379 8.513 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.490 -1.105 8.525 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.379 0.597 8.014 1.00 15.00 H new ATOM 0 HG23 THR A 390 -1.196 -0.706 6.815 1.00 15.00 H new ATOM 420 N THR A 391 1.573 -0.700 5.091 1.00 15.00 N ATOM 421 CA THR A 391 1.255 -1.113 3.736 1.00 15.00 C ATOM 422 C THR A 391 1.170 -2.636 3.650 1.00 15.00 C ATOM 423 O THR A 391 1.897 -3.349 4.344 1.00 15.00 O ATOM 424 CB THR A 391 2.280 -0.566 2.719 1.00 15.00 C ATOM 425 OG1 THR A 391 1.964 -1.024 1.399 1.00 15.00 O ATOM 426 CG2 THR A 391 3.698 -0.976 3.080 1.00 15.00 C ATOM 0 H THR A 391 2.363 -1.191 5.510 1.00 15.00 H new ATOM 0 HA THR A 391 0.283 -0.692 3.479 1.00 15.00 H new ATOM 0 HB THR A 391 2.224 0.522 2.748 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.994 -0.988 1.264 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.392 -0.573 2.342 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.950 -0.586 4.066 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.771 -2.064 3.091 1.00 15.00 H new ATOM 434 N THR A 392 0.261 -3.124 2.817 1.00 15.00 N ATOM 435 CA THR A 392 0.003 -4.551 2.712 1.00 15.00 C ATOM 436 C THR A 392 -0.462 -4.914 1.299 1.00 15.00 C ATOM 437 O THR A 392 -1.037 -4.076 0.599 1.00 15.00 O ATOM 438 CB THR A 392 -1.055 -4.992 3.752 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.211 -6.416 3.743 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.400 -4.328 3.487 1.00 15.00 C ATOM 0 H THR A 392 -0.312 -2.547 2.201 1.00 15.00 H new ATOM 0 HA THR A 392 0.934 -5.079 2.917 1.00 15.00 H new ATOM 0 HB THR A 392 -0.700 -4.677 4.733 1.00 15.00 H new ATOM 0 HG1 THR A 392 -1.882 -6.676 4.408 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.122 -4.658 4.234 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.289 -3.245 3.543 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.753 -4.605 2.494 1.00 15.00 H new ATOM 448 N TRP A 393 -0.161 -6.139 0.863 1.00 15.00 N ATOM 449 CA TRP A 393 -0.657 -6.633 -0.423 1.00 15.00 C ATOM 450 C TRP A 393 -2.131 -7.022 -0.302 1.00 15.00 C ATOM 451 O TRP A 393 -2.826 -7.200 -1.306 1.00 15.00 O ATOM 452 CB TRP A 393 0.125 -7.865 -0.909 1.00 15.00 C ATOM 453 CG TRP A 393 1.621 -7.739 -0.857 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.463 -8.464 -0.066 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.453 -6.858 -1.626 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.761 -8.091 -0.292 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.783 -7.107 -1.240 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.210 -5.882 -2.596 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.862 -6.422 -1.787 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.285 -5.201 -3.141 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.597 -5.474 -2.734 1.00 15.00 C ATOM 0 H TRP A 393 0.419 -6.802 1.377 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.526 -5.826 -1.144 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.172 -8.724 -0.307 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.169 -8.079 -1.936 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.151 -9.222 0.637 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.580 -8.484 0.172 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.202 -5.663 -2.915 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.874 -6.632 -1.474 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.109 -4.446 -3.893 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.414 -4.925 -3.177 1.00 15.00 H new ATOM 472 N THR A 394 -2.591 -7.193 0.932 1.00 15.00 N ATOM 473 CA THR A 394 -3.957 -7.621 1.195 1.00 15.00 C ATOM 474 C THR A 394 -4.946 -6.490 0.932 1.00 15.00 C ATOM 475 O THR A 394 -4.671 -5.330 1.237 1.00 15.00 O ATOM 476 CB THR A 394 -4.114 -8.109 2.652 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.133 -9.113 2.941 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.505 -8.683 2.892 1.00 15.00 C ATOM 0 H THR A 394 -2.032 -7.040 1.771 1.00 15.00 H new ATOM 0 HA THR A 394 -4.173 -8.447 0.518 1.00 15.00 H new ATOM 0 HB THR A 394 -3.971 -7.252 3.310 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.238 -9.416 3.867 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.587 -9.019 3.926 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.254 -7.915 2.700 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.671 -9.527 2.222 1.00 15.00 H new ATOM 486 N ARG A 395 -6.090 -6.837 0.354 1.00 15.00 N ATOM 487 CA ARG A 395 -7.141 -5.866 0.098 1.00 15.00 C ATOM 488 C ARG A 395 -7.840 -5.473 1.398 1.00 15.00 C ATOM 489 O ARG A 395 -8.489 -6.302 2.037 1.00 15.00 O ATOM 490 CB ARG A 395 -8.165 -6.434 -0.891 1.00 15.00 C ATOM 491 CG ARG A 395 -9.341 -5.504 -1.145 1.00 15.00 C ATOM 492 CD ARG A 395 -8.878 -4.175 -1.713 1.00 15.00 C ATOM 493 NE ARG A 395 -9.524 -3.044 -1.055 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.442 -1.795 -1.496 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.902 -1.545 -2.680 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.937 -0.799 -0.779 1.00 15.00 N ATOM 0 H ARG A 395 -6.311 -7.786 0.054 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.683 -4.977 -0.336 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.667 -6.644 -1.837 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.539 -7.384 -0.510 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.038 -5.976 -1.838 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.882 -5.336 -0.214 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.797 -4.090 -1.602 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.092 -4.143 -2.781 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.068 -3.223 -0.211 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.550 -2.312 -3.252 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.839 -0.585 -3.019 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.384 -0.989 0.118 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.871 0.159 -1.123 1.00 15.00 H new ATOM 510 N PRO A 396 -7.703 -4.206 1.814 1.00 15.00 N ATOM 511 CA PRO A 396 -8.379 -3.694 3.002 1.00 15.00 C ATOM 512 C PRO A 396 -9.850 -3.405 2.736 1.00 15.00 C ATOM 513 O PRO A 396 -10.191 -2.595 1.868 1.00 15.00 O ATOM 514 CB PRO A 396 -7.626 -2.403 3.309 1.00 15.00 C ATOM 515 CG PRO A 396 -7.125 -1.936 1.986 1.00 15.00 C ATOM 516 CD PRO A 396 -6.866 -3.176 1.170 1.00 15.00 C ATOM 0 HA PRO A 396 -8.369 -4.409 3.824 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.280 -1.662 3.769 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.805 -2.579 4.004 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.858 -1.295 1.497 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.214 -1.349 2.101 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.143 -3.032 0.126 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.811 -3.451 1.185 1.00 15.00 H new ATOM 524 N ILE A 397 -10.718 -4.115 3.437 1.00 15.00 N ATOM 525 CA ILE A 397 -12.144 -3.863 3.348 1.00 15.00 C ATOM 526 C ILE A 397 -12.544 -2.835 4.398 1.00 15.00 C ATOM 527 O ILE A 397 -13.018 -1.748 4.073 1.00 15.00 O ATOM 528 CB ILE A 397 -12.963 -5.158 3.531 1.00 15.00 C ATOM 529 CG1 ILE A 397 -12.499 -6.217 2.527 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.449 -4.869 3.359 1.00 15.00 C ATOM 531 CD1 ILE A 397 -13.131 -7.573 2.742 1.00 15.00 C ATOM 0 H ILE A 397 -10.459 -4.869 4.073 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.361 -3.476 2.352 1.00 15.00 H new ATOM 0 HB ILE A 397 -12.802 -5.541 4.539 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -12.729 -5.874 1.518 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -11.415 -6.316 2.591 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.016 -5.790 3.490 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -14.766 -4.138 4.103 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -14.629 -4.471 2.360 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -12.756 -8.272 1.995 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -12.880 -7.938 3.738 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.214 -7.489 2.648 1.00 15.00 H new ATOM 543 N GLY A 398 -12.341 -3.187 5.660 1.00 15.00 N ATOM 544 CA GLY A 398 -12.585 -2.258 6.740 1.00 15.00 C ATOM 545 C GLY A 398 -11.344 -1.455 7.060 1.00 15.00 C ATOM 546 O GLY A 398 -10.226 -2.000 6.890 1.00 15.00 O ATOM 547 OXT GLY A 398 -11.473 -0.289 7.480 1.00 15.00 O ATOM 0 H GLY A 398 -12.010 -4.106 5.954 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -13.397 -1.584 6.467 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -12.907 -2.804 7.627 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 0.062 -11.873 -3.403 1.00 15.00 N ATOM 553 CA GLU B 203 0.858 -11.767 -4.645 1.00 15.00 C ATOM 554 C GLU B 203 2.097 -12.657 -4.587 1.00 15.00 C ATOM 555 O GLU B 203 2.902 -12.656 -5.515 1.00 15.00 O ATOM 556 CB GLU B 203 1.278 -10.312 -4.871 1.00 15.00 C ATOM 557 CG GLU B 203 0.108 -9.346 -4.874 1.00 15.00 C ATOM 558 CD GLU B 203 -0.993 -9.790 -5.811 1.00 15.00 C ATOM 559 OE1 GLU B 203 -1.857 -10.579 -5.373 1.00 15.00 O ATOM 560 OE2 GLU B 203 -0.985 -9.370 -6.987 1.00 15.00 O1- ATOM 0 HA GLU B 203 0.236 -12.103 -5.475 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.981 -10.018 -4.092 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.806 -10.236 -5.822 1.00 15.00 H new ATOM 0 HG2 GLU B 203 -0.291 -9.257 -3.863 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.456 -8.356 -5.168 1.00 15.00 H new ATOM 569 N LEU B 204 2.237 -13.421 -3.494 1.00 15.00 N ATOM 570 CA LEU B 204 3.417 -14.269 -3.268 1.00 15.00 C ATOM 571 C LEU B 204 4.675 -13.415 -3.103 1.00 15.00 C ATOM 572 O LEU B 204 5.795 -13.926 -3.102 1.00 15.00 O ATOM 573 CB LEU B 204 3.619 -15.286 -4.409 1.00 15.00 C ATOM 574 CG LEU B 204 2.630 -16.461 -4.448 1.00 15.00 C ATOM 575 CD1 LEU B 204 1.256 -16.019 -4.927 1.00 15.00 C ATOM 576 CD2 LEU B 204 3.166 -17.577 -5.330 1.00 15.00 C ATOM 0 H LEU B 204 1.543 -13.469 -2.748 1.00 15.00 H new ATOM 0 HA LEU B 204 3.240 -14.826 -2.348 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.558 -14.754 -5.358 1.00 15.00 H new ATOM 0 HB3 LEU B 204 4.629 -15.689 -4.335 1.00 15.00 H new ATOM 0 HG LEU B 204 2.521 -16.837 -3.431 1.00 15.00 H new ATOM 0 HD11 LEU B 204 0.583 -16.876 -4.942 1.00 15.00 H new ATOM 0 HD12 LEU B 204 0.862 -15.260 -4.251 1.00 15.00 H new ATOM 0 HD13 LEU B 204 1.337 -15.604 -5.932 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.453 -18.402 -5.347 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.311 -17.202 -6.343 1.00 15.00 H new ATOM 0 HD23 LEU B 204 4.118 -17.929 -4.933 1.00 15.00 H new ATOM 588 N GLU B 205 4.471 -12.119 -2.919 1.00 15.00 N ATOM 589 CA GLU B 205 5.564 -11.166 -2.808 1.00 15.00 C ATOM 590 C GLU B 205 5.906 -10.892 -1.353 1.00 15.00 C ATOM 591 O GLU B 205 5.016 -10.799 -0.504 1.00 15.00 O ATOM 592 CB GLU B 205 5.181 -9.859 -3.503 1.00 15.00 C ATOM 593 CG GLU B 205 5.397 -9.877 -5.006 1.00 15.00 C ATOM 594 CD GLU B 205 6.849 -9.652 -5.383 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.680 -10.557 -5.157 1.00 15.00 O ATOM 596 OE2 GLU B 205 7.165 -8.559 -5.904 1.00 15.00 O1- ATOM 0 H GLU B 205 3.544 -11.699 -2.843 1.00 15.00 H new ATOM 0 HA GLU B 205 6.442 -11.595 -3.290 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.132 -9.644 -3.299 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.763 -9.045 -3.072 1.00 15.00 H new ATOM 0 HG2 GLU B 205 5.064 -10.834 -5.407 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.780 -9.106 -5.468 1.00 15.00 H new ATOM 603 N SER B 206 7.198 -10.757 -1.085 1.00 15.00 N ATOM 604 CA SER B 206 7.689 -10.353 0.223 1.00 15.00 C ATOM 605 C SER B 206 7.055 -9.009 0.607 1.00 15.00 C ATOM 606 O SER B 206 6.787 -8.188 -0.271 1.00 15.00 O ATOM 607 CB SER B 206 9.220 -10.239 0.166 1.00 15.00 C ATOM 608 OG SER B 206 9.803 -10.332 1.456 1.00 15.00 O ATOM 0 H SER B 206 7.935 -10.925 -1.770 1.00 15.00 H new ATOM 0 HA SER B 206 7.419 -11.092 0.977 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.620 -11.028 -0.471 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.497 -9.289 -0.291 1.00 15.00 H new ATOM 0 HG SER B 206 10.777 -10.257 1.381 1.00 15.00 H new ATOM 614 N PRO B 207 6.831 -8.759 1.913 1.00 15.00 N ATOM 615 CA PRO B 207 6.102 -7.572 2.394 1.00 15.00 C ATOM 616 C PRO B 207 6.593 -6.264 1.767 1.00 15.00 C ATOM 617 O PRO B 207 7.798 -6.083 1.566 1.00 15.00 O ATOM 618 CB PRO B 207 6.397 -7.573 3.892 1.00 15.00 C ATOM 619 CG PRO B 207 6.596 -9.005 4.228 1.00 15.00 C ATOM 620 CD PRO B 207 7.260 -9.621 3.029 1.00 15.00 C ATOM 0 HA PRO B 207 5.044 -7.622 2.137 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.284 -6.984 4.123 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.572 -7.143 4.460 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.216 -9.115 5.117 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.644 -9.492 4.441 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.345 -9.632 3.133 1.00 15.00 H new ATOM 0 HD3 PRO B 207 6.944 -10.654 2.882 1.00 15.00 H new ATOM 628 N PRO B 208 5.659 -5.337 1.454 1.00 15.00 N ATOM 629 CA PRO B 208 5.976 -4.059 0.799 1.00 15.00 C ATOM 630 C PRO B 208 7.091 -3.277 1.484 1.00 15.00 C ATOM 631 O PRO B 208 7.307 -3.398 2.696 1.00 15.00 O ATOM 632 CB PRO B 208 4.668 -3.280 0.895 1.00 15.00 C ATOM 633 CG PRO B 208 3.617 -4.320 0.934 1.00 15.00 C ATOM 634 CD PRO B 208 4.206 -5.462 1.711 1.00 15.00 C ATOM 0 HA PRO B 208 6.338 -4.223 -0.216 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.642 -2.657 1.789 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.538 -2.617 0.040 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.713 -3.945 1.413 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.338 -4.633 -0.072 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.978 -5.385 2.774 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.819 -6.422 1.370 1.00 15.00 H new ATOM 642 N PRO B 209 7.782 -2.436 0.700 1.00 15.00 N ATOM 643 CA PRO B 209 8.886 -1.597 1.183 1.00 15.00 C ATOM 644 C PRO B 209 8.463 -0.711 2.356 1.00 15.00 C ATOM 645 O PRO B 209 7.332 -0.215 2.383 1.00 15.00 O ATOM 646 CB PRO B 209 9.227 -0.735 -0.037 1.00 15.00 C ATOM 647 CG PRO B 209 8.752 -1.526 -1.204 1.00 15.00 C ATOM 648 CD PRO B 209 7.519 -2.225 -0.735 1.00 15.00 C ATOM 0 HA PRO B 209 9.722 -2.189 1.555 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.731 0.234 0.012 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.298 -0.543 -0.099 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.537 -0.880 -2.055 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.509 -2.240 -1.529 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.626 -1.621 -0.897 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.365 -3.168 -1.260 1.00 15.00 H new ATOM 656 N PRO B 210 9.363 -0.503 3.338 1.00 15.00 N ATOM 657 CA PRO B 210 9.077 0.318 4.522 1.00 15.00 C ATOM 658 C PRO B 210 8.488 1.682 4.165 1.00 15.00 C ATOM 659 O PRO B 210 9.106 2.476 3.459 1.00 15.00 O ATOM 660 CB PRO B 210 10.448 0.483 5.181 1.00 15.00 C ATOM 661 CG PRO B 210 11.211 -0.722 4.760 1.00 15.00 C ATOM 662 CD PRO B 210 10.731 -1.056 3.374 1.00 15.00 C ATOM 0 HA PRO B 210 8.331 -0.149 5.166 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.939 1.399 4.852 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.363 0.540 6.266 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.283 -0.526 4.764 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.036 -1.553 5.444 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.366 -0.606 2.611 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.734 -2.132 3.197 1.00 15.00 H new ATOM 670 N TYR B 211 7.287 1.937 4.654 1.00 15.00 N ATOM 671 CA TYR B 211 6.595 3.184 4.378 1.00 15.00 C ATOM 672 C TYR B 211 7.013 4.272 5.362 1.00 15.00 C ATOM 673 O TYR B 211 7.035 4.052 6.571 1.00 15.00 O ATOM 674 CB TYR B 211 5.078 2.965 4.446 1.00 15.00 C ATOM 675 CG TYR B 211 4.283 4.250 4.489 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.040 4.985 3.337 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.789 4.735 5.692 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.332 6.169 3.386 1.00 15.00 C ATOM 679 CE2 TYR B 211 3.077 5.914 5.746 1.00 15.00 C ATOM 680 CZ TYR B 211 2.853 6.626 4.597 1.00 15.00 C ATOM 681 OH TYR B 211 2.159 7.810 4.662 1.00 15.00 O ATOM 0 H TYR B 211 6.767 1.292 5.249 1.00 15.00 H new ATOM 0 HA TYR B 211 6.867 3.512 3.375 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.764 2.382 3.580 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.844 2.373 5.331 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.410 4.625 2.388 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.965 4.179 6.601 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.154 6.734 2.483 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.697 6.275 6.690 1.00 15.00 H new ATOM 0 HH TYR B 211 1.583 7.895 3.874 1.00 15.00 H new ATOM 691 N SER B 212 7.341 5.442 4.834 1.00 15.00 N ATOM 692 CA SER B 212 7.630 6.600 5.666 1.00 15.00 C ATOM 693 C SER B 212 6.600 7.703 5.423 1.00 15.00 C ATOM 694 O SER B 212 5.695 7.912 6.231 1.00 15.00 O ATOM 695 CB SER B 212 9.039 7.119 5.382 1.00 15.00 C ATOM 696 OG SER B 212 10.010 6.116 5.630 1.00 15.00 O ATOM 0 H SER B 212 7.414 5.614 3.831 1.00 15.00 H new ATOM 0 HA SER B 212 7.573 6.297 6.712 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.107 7.447 4.345 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.242 7.989 6.006 1.00 15.00 H new ATOM 0 HG SER B 212 10.903 6.471 5.440 1.00 15.00 H new ATOM 702 N ARG B 213 6.724 8.382 4.290 1.00 15.00 N ATOM 703 CA ARG B 213 5.816 9.474 3.946 1.00 15.00 C ATOM 704 C ARG B 213 5.052 9.164 2.663 1.00 15.00 C ATOM 705 O ARG B 213 3.825 9.251 2.617 1.00 15.00 O ATOM 706 CB ARG B 213 6.595 10.776 3.766 1.00 15.00 C ATOM 707 CG ARG B 213 7.335 11.232 5.013 1.00 15.00 C ATOM 708 CD ARG B 213 8.267 12.390 4.705 1.00 15.00 C ATOM 709 NE ARG B 213 9.305 12.000 3.751 1.00 15.00 N ATOM 710 CZ ARG B 213 9.683 12.733 2.703 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.159 13.938 2.494 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 10.604 12.263 1.872 1.00 15.00 N ATOM 0 H ARG B 213 7.444 8.197 3.592 1.00 15.00 H new ATOM 0 HA ARG B 213 5.104 9.585 4.764 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.313 10.648 2.956 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.904 11.561 3.459 1.00 15.00 H new ATOM 0 HG2 ARG B 213 6.617 11.533 5.776 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.907 10.400 5.424 1.00 15.00 H new ATOM 0 HD2 ARG B 213 7.693 13.223 4.300 1.00 15.00 H new ATOM 0 HD3 ARG B 213 8.731 12.741 5.627 1.00 15.00 H new ATOM 0 HE ARG B 213 9.772 11.105 3.898 1.00 15.00 H new ATOM 0 HH11 ARG B 213 8.461 14.309 3.139 1.00 15.00 H new ATOM 0 HH12 ARG B 213 9.455 14.490 1.689 1.00 15.00 H new ATOM 0 HH21 ARG B 213 11.019 11.346 2.036 1.00 15.00 H new ATOM 0 HH22 ARG B 213 10.897 12.819 1.069 1.00 15.00 H new ATOM 726 N TYR B 214 5.792 8.828 1.615 1.00 15.00 N ATOM 727 CA TYR B 214 5.205 8.501 0.327 1.00 15.00 C ATOM 728 C TYR B 214 5.592 7.075 -0.060 1.00 15.00 C ATOM 729 O TYR B 214 6.586 6.556 0.446 1.00 15.00 O ATOM 730 CB TYR B 214 5.684 9.497 -0.735 1.00 15.00 C ATOM 731 CG TYR B 214 5.314 10.931 -0.424 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.055 11.428 -0.740 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.221 11.784 0.188 1.00 15.00 C ATOM 734 CE1 TYR B 214 3.713 12.735 -0.452 1.00 15.00 C ATOM 735 CE2 TYR B 214 5.885 13.092 0.480 1.00 15.00 C ATOM 736 CZ TYR B 214 4.630 13.561 0.157 1.00 15.00 C ATOM 737 OH TYR B 214 4.294 14.863 0.446 1.00 15.00 O ATOM 0 H TYR B 214 6.810 8.775 1.635 1.00 15.00 H new ATOM 0 HA TYR B 214 4.119 8.567 0.394 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.767 9.422 -0.831 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.259 9.221 -1.700 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.333 10.782 -1.218 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.206 11.420 0.440 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.731 13.107 -0.704 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.602 13.743 0.959 1.00 15.00 H new ATOM 0 HH TYR B 214 5.053 15.309 0.876 1.00 15.00 H new ATOM 747 N PRO B 215 4.840 6.414 -0.959 1.00 15.00 N ATOM 748 CA PRO B 215 5.152 5.052 -1.374 1.00 15.00 C ATOM 749 C PRO B 215 6.258 5.004 -2.427 1.00 15.00 C ATOM 750 O PRO B 215 6.077 5.470 -3.555 1.00 15.00 O ATOM 751 CB PRO B 215 3.833 4.525 -1.961 1.00 15.00 C ATOM 752 CG PRO B 215 2.857 5.663 -1.901 1.00 15.00 C ATOM 753 CD PRO B 215 3.648 6.916 -1.651 1.00 15.00 C ATOM 0 HA PRO B 215 5.522 4.457 -0.539 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.973 4.187 -2.988 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.468 3.670 -1.391 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.299 5.740 -2.834 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.128 5.503 -1.106 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.904 7.425 -2.580 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.095 7.628 -1.039 1.00 15.00 H new ATOM 761 N MET B 216 7.415 4.483 -2.043 1.00 15.00 N ATOM 762 CA MET B 216 8.509 4.289 -2.983 1.00 15.00 C ATOM 763 C MET B 216 8.834 2.799 -3.100 1.00 15.00 C ATOM 764 O MET B 216 9.157 2.141 -2.108 1.00 15.00 O ATOM 765 CB MET B 216 9.758 5.094 -2.575 1.00 15.00 C ATOM 766 CG MET B 216 10.379 4.698 -1.241 1.00 15.00 C ATOM 767 SD MET B 216 9.383 5.178 0.184 1.00 15.00 S ATOM 768 CE MET B 216 10.440 4.637 1.526 1.00 15.00 C ATOM 0 H MET B 216 7.620 4.188 -1.088 1.00 15.00 H new ATOM 0 HA MET B 216 8.192 4.661 -3.957 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.512 4.985 -3.355 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.492 6.150 -2.534 1.00 15.00 H new ATOM 0 HG2 MET B 216 10.527 3.618 -1.224 1.00 15.00 H new ATOM 0 HG3 MET B 216 11.364 5.156 -1.157 1.00 15.00 H new ATOM 0 HE1 MET B 216 9.963 4.864 2.479 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.604 3.562 1.449 1.00 15.00 H new ATOM 0 HE3 MET B 216 11.397 5.155 1.467 1.00 15.00 H new ATOM 778 N ASP B 217 8.737 2.265 -4.309 1.00 15.00 N ATOM 779 CA ASP B 217 8.948 0.843 -4.536 1.00 15.00 C ATOM 780 C ASP B 217 10.171 0.632 -5.417 1.00 15.00 C ATOM 781 O ASP B 217 10.111 0.999 -6.611 1.00 15.00 O ATOM 782 CB ASP B 217 7.705 0.223 -5.179 1.00 15.00 C ATOM 783 CG ASP B 217 7.847 -1.265 -5.434 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.824 -2.047 -4.460 1.00 15.00 O ATOM 785 OD2 ASP B 217 7.949 -1.658 -6.615 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.195 0.134 -4.907 1.00 15.00 O ATOM 0 H ASP B 217 8.513 2.797 -5.150 1.00 15.00 H new ATOM 0 HA ASP B 217 9.122 0.351 -3.579 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.845 0.394 -4.532 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.500 0.729 -6.122 1.00 15.00 H new TER 791 ASP B 217