USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 338 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: B 212 SER OG : rot 180:sc= 0.176 USER MOD Set 1.2: B 216 MET CE :methyl 157:sc= -0.325 (180deg=-0.996) USER MOD Set 2.1: A 385 ASN : amide:sc= -2.5! C(o=-4.7!,f=-15!) USER MOD Set 2.2: A 388 ASN : amide:sc= -2.17! C(o=-4.7!,f=-14!) USER MOD Set 3.1: A 386 HIS : no HD1:sc= 0.878 K(o=1.7,f=-4!) USER MOD Set 3.2: B 211 TYR OH : rot -96:sc= 0.776 USER MOD Single : A 369 SER OG : rot 42:sc= 0.0555 USER MOD Single : A 375 LYS NZ :NH3+ 163:sc= 0.636 (180deg=0.513) USER MOD Single : A 378 LYS NZ :NH3+ 158:sc= 1.17 (180deg=0.0451!) USER MOD Single : A 381 THR OG1 : rot 48:sc= 0.293 USER MOD Single : A 382 TYR OH : rot -173:sc= 0.0569 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= -1.92! C(o=-1.9!,f=-5!) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 39:sc= 0.354 USER MOD Single : A 392 THR OG1 : rot 150:sc= -1.08 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0.00365 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -12.591 2.301 -1.386 1.00 15.00 N ATOM 25 CA LEU A 367 -11.422 3.103 -1.058 1.00 15.00 C ATOM 26 C LEU A 367 -11.718 3.938 0.191 1.00 15.00 C ATOM 27 O LEU A 367 -12.581 4.817 0.161 1.00 15.00 O ATOM 28 CB LEU A 367 -11.068 4.017 -2.242 1.00 15.00 C ATOM 29 CG LEU A 367 -9.606 4.488 -2.320 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.364 5.221 -3.626 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.243 5.388 -1.149 1.00 15.00 C ATOM 0 HA LEU A 367 -10.572 2.450 -0.858 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.309 3.491 -3.166 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -11.710 4.897 -2.200 1.00 15.00 H new ATOM 0 HG LEU A 367 -8.970 3.604 -2.274 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.326 5.550 -3.671 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -9.569 4.552 -4.462 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.023 6.088 -3.684 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.203 5.700 -1.239 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -9.887 6.267 -1.152 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.378 4.842 -0.215 1.00 15.00 H new ATOM 43 N PRO A 368 -11.035 3.658 1.313 1.00 15.00 N ATOM 44 CA PRO A 368 -11.213 4.412 2.545 1.00 15.00 C ATOM 45 C PRO A 368 -10.262 5.604 2.633 1.00 15.00 C ATOM 46 O PRO A 368 -9.141 5.564 2.119 1.00 15.00 O ATOM 47 CB PRO A 368 -10.895 3.379 3.626 1.00 15.00 C ATOM 48 CG PRO A 368 -10.005 2.361 2.981 1.00 15.00 C ATOM 49 CD PRO A 368 -10.064 2.568 1.487 1.00 15.00 C ATOM 0 HA PRO A 368 -12.210 4.844 2.631 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.400 3.846 4.477 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.807 2.916 4.003 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.981 2.468 3.340 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.330 1.353 3.239 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.088 2.836 1.083 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.385 1.663 0.972 1.00 15.00 H new ATOM 57 N SER A 369 -10.705 6.650 3.315 1.00 15.00 N ATOM 58 CA SER A 369 -9.936 7.878 3.425 1.00 15.00 C ATOM 59 C SER A 369 -8.698 7.671 4.295 1.00 15.00 C ATOM 60 O SER A 369 -8.793 7.356 5.484 1.00 15.00 O ATOM 61 CB SER A 369 -10.822 8.990 3.994 1.00 15.00 C ATOM 62 OG SER A 369 -11.574 8.526 5.106 1.00 15.00 O ATOM 0 H SER A 369 -11.600 6.671 3.803 1.00 15.00 H new ATOM 0 HA SER A 369 -9.595 8.170 2.432 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.202 9.834 4.297 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.498 9.353 3.220 1.00 15.00 H new ATOM 0 HG SER A 369 -11.005 7.968 5.676 1.00 15.00 H new ATOM 68 N GLY A 370 -7.534 7.832 3.682 1.00 15.00 N ATOM 69 CA GLY A 370 -6.285 7.618 4.382 1.00 15.00 C ATOM 70 C GLY A 370 -5.453 6.552 3.708 1.00 15.00 C ATOM 71 O GLY A 370 -4.244 6.463 3.920 1.00 15.00 O ATOM 0 H GLY A 370 -7.433 8.109 2.706 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.723 8.551 4.420 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.489 7.326 5.412 1.00 15.00 H new ATOM 75 N TRP A 371 -6.110 5.741 2.893 1.00 15.00 N ATOM 76 CA TRP A 371 -5.440 4.696 2.133 1.00 15.00 C ATOM 77 C TRP A 371 -5.254 5.155 0.688 1.00 15.00 C ATOM 78 O TRP A 371 -6.158 5.764 0.117 1.00 15.00 O ATOM 79 CB TRP A 371 -6.282 3.416 2.123 1.00 15.00 C ATOM 80 CG TRP A 371 -6.485 2.773 3.461 1.00 15.00 C ATOM 81 CD1 TRP A 371 -7.203 3.264 4.514 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.991 1.497 3.872 1.00 15.00 C ATOM 83 NE1 TRP A 371 -7.180 2.369 5.555 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.440 1.276 5.186 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.208 0.519 3.254 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -6.133 0.118 5.893 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.904 -0.631 3.956 1.00 15.00 C ATOM 88 CH2 TRP A 371 -5.367 -0.824 5.263 1.00 15.00 C ATOM 0 H TRP A 371 -7.117 5.788 2.740 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.476 4.497 2.600 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.259 3.646 1.697 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.807 2.693 1.459 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.713 4.216 4.526 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.639 2.497 6.457 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.847 0.660 2.246 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -6.487 -0.032 6.902 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.299 -1.394 3.489 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -5.114 -1.735 5.785 1.00 15.00 H new ATOM 99 N GLU A 372 -4.109 4.864 0.089 1.00 15.00 N ATOM 100 CA GLU A 372 -3.937 5.112 -1.337 1.00 15.00 C ATOM 101 C GLU A 372 -3.529 3.832 -2.059 1.00 15.00 C ATOM 102 O GLU A 372 -2.545 3.180 -1.697 1.00 15.00 O ATOM 103 CB GLU A 372 -2.943 6.241 -1.614 1.00 15.00 C ATOM 104 CG GLU A 372 -3.342 7.571 -1.008 1.00 15.00 C ATOM 105 CD GLU A 372 -2.396 8.683 -1.398 1.00 15.00 C ATOM 106 OE1 GLU A 372 -2.577 9.265 -2.487 1.00 15.00 O ATOM 107 OE2 GLU A 372 -1.467 8.982 -0.624 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.297 4.463 0.557 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.901 5.439 -1.727 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.965 5.955 -1.226 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.836 6.361 -2.692 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -4.352 7.826 -1.329 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.366 7.481 0.078 1.00 15.00 H new ATOM 114 N GLU A 373 -4.298 3.485 -3.083 1.00 15.00 N ATOM 115 CA GLU A 373 -4.115 2.233 -3.809 1.00 15.00 C ATOM 116 C GLU A 373 -3.219 2.490 -4.992 1.00 15.00 C ATOM 117 O GLU A 373 -3.647 3.086 -5.981 1.00 15.00 O ATOM 118 CB GLU A 373 -5.450 1.748 -4.335 1.00 15.00 C ATOM 119 CG GLU A 373 -6.589 2.181 -3.460 1.00 15.00 C ATOM 120 CD GLU A 373 -7.909 2.165 -4.205 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.939 2.632 -5.362 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.917 1.684 -3.646 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.064 4.061 -3.433 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.682 1.488 -3.141 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.603 2.130 -5.344 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.439 0.660 -4.404 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.653 1.522 -2.594 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.396 3.186 -3.083 1.00 15.00 H new ATOM 129 N ARG A 374 -1.988 2.074 -4.907 1.00 15.00 N ATOM 130 CA ARG A 374 -1.040 2.467 -5.908 1.00 15.00 C ATOM 131 C ARG A 374 -0.373 1.261 -6.543 1.00 15.00 C ATOM 132 O ARG A 374 0.381 0.526 -5.903 1.00 15.00 O ATOM 133 CB ARG A 374 -0.058 3.442 -5.283 1.00 15.00 C ATOM 134 CG ARG A 374 -0.750 4.719 -4.799 1.00 15.00 C ATOM 135 CD ARG A 374 0.180 5.551 -3.932 1.00 15.00 C ATOM 136 NE ARG A 374 -0.320 6.908 -3.698 1.00 15.00 N ATOM 137 CZ ARG A 374 0.404 8.010 -3.911 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.613 7.917 -4.459 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 -0.089 9.203 -3.603 1.00 15.00 N ATOM 0 H ARG A 374 -1.622 1.473 -4.168 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.545 2.974 -6.730 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.446 2.962 -4.444 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.711 3.700 -6.011 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.075 5.307 -5.657 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.644 4.459 -4.233 1.00 15.00 H new ATOM 0 HD2 ARG A 374 0.320 5.051 -2.974 1.00 15.00 H new ATOM 0 HD3 ARG A 374 1.159 5.607 -4.408 1.00 15.00 H new ATOM 0 HE ARG A 374 -1.274 7.017 -3.353 1.00 15.00 H new ATOM 0 HH11 ARG A 374 1.987 7.004 -4.717 1.00 15.00 H new ATOM 0 HH12 ARG A 374 2.165 8.759 -4.621 1.00 15.00 H new ATOM 0 HH21 ARG A 374 -1.024 9.281 -3.202 1.00 15.00 H new ATOM 0 HH22 ARG A 374 0.467 10.042 -3.767 1.00 15.00 H new ATOM 153 N LYS A 375 -0.709 1.050 -7.806 1.00 15.00 N ATOM 154 CA LYS A 375 -0.223 -0.087 -8.561 1.00 15.00 C ATOM 155 C LYS A 375 0.897 0.357 -9.489 1.00 15.00 C ATOM 156 O LYS A 375 0.694 1.185 -10.379 1.00 15.00 O ATOM 157 CB LYS A 375 -1.359 -0.737 -9.368 1.00 15.00 C ATOM 158 CG LYS A 375 -2.424 -1.432 -8.517 1.00 15.00 C ATOM 159 CD LYS A 375 -3.307 -0.446 -7.758 1.00 15.00 C ATOM 160 CE LYS A 375 -4.238 0.318 -8.690 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.029 1.355 -7.967 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.328 1.665 -8.334 1.00 15.00 H new ATOM 0 HA LYS A 375 0.161 -0.831 -7.863 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.840 0.029 -9.976 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.929 -1.465 -10.055 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.049 -2.053 -9.160 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.937 -2.099 -7.806 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.897 -0.984 -7.016 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.679 0.260 -7.214 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -3.652 0.793 -9.477 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.918 -0.382 -9.176 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.423 2.031 -8.652 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.805 0.899 -7.446 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.412 1.859 -7.299 1.00 15.00 H new ATOM 175 N ASP A 376 2.074 -0.203 -9.278 1.00 15.00 N ATOM 176 CA ASP A 376 3.263 0.215 -10.006 1.00 15.00 C ATOM 177 C ASP A 376 3.418 -0.599 -11.288 1.00 15.00 C ATOM 178 O ASP A 376 3.035 -1.767 -11.334 1.00 15.00 O ATOM 179 CB ASP A 376 4.497 0.059 -9.125 1.00 15.00 C ATOM 180 CG ASP A 376 5.590 1.041 -9.489 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.996 1.083 -10.668 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.053 1.773 -8.599 1.00 15.00 O ATOM 0 H ASP A 376 2.235 -0.953 -8.605 1.00 15.00 H new ATOM 0 HA ASP A 376 3.156 1.265 -10.277 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.216 0.202 -8.081 1.00 15.00 H new ATOM 0 HB3 ASP A 376 4.880 -0.958 -9.216 1.00 15.00 H new ATOM 187 N ALA A 377 4.024 0.018 -12.301 1.00 15.00 N ATOM 188 CA ALA A 377 4.056 -0.518 -13.666 1.00 15.00 C ATOM 189 C ALA A 377 4.727 -1.891 -13.761 1.00 15.00 C ATOM 190 O ALA A 377 4.403 -2.678 -14.648 1.00 15.00 O ATOM 191 CB ALA A 377 4.760 0.469 -14.585 1.00 15.00 C ATOM 0 H ALA A 377 4.510 0.909 -12.200 1.00 15.00 H new ATOM 0 HA ALA A 377 3.021 -0.656 -13.977 1.00 15.00 H new ATOM 0 HB1 ALA A 377 4.783 0.069 -15.599 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.222 1.417 -14.581 1.00 15.00 H new ATOM 0 HB3 ALA A 377 5.780 0.629 -14.235 1.00 15.00 H new ATOM 197 N LYS A 378 5.652 -2.181 -12.851 1.00 15.00 N ATOM 198 CA LYS A 378 6.314 -3.493 -12.821 1.00 15.00 C ATOM 199 C LYS A 378 5.312 -4.577 -12.444 1.00 15.00 C ATOM 200 O LYS A 378 5.573 -5.769 -12.597 1.00 15.00 O ATOM 201 CB LYS A 378 7.478 -3.551 -11.825 1.00 15.00 C ATOM 202 CG LYS A 378 8.399 -2.346 -11.833 1.00 15.00 C ATOM 203 CD LYS A 378 7.877 -1.270 -10.906 1.00 15.00 C ATOM 204 CE LYS A 378 9.001 -0.386 -10.386 1.00 15.00 C ATOM 205 NZ LYS A 378 8.548 0.480 -9.270 1.00 15.00 N1+ ATOM 0 H LYS A 378 5.963 -1.534 -12.126 1.00 15.00 H new ATOM 0 HA LYS A 378 6.712 -3.657 -13.822 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.070 -3.669 -10.821 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.070 -4.442 -12.035 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.401 -2.645 -11.524 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.482 -1.952 -12.846 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.146 -0.657 -11.434 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.359 -1.732 -10.066 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.828 -1.010 -10.049 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.380 0.235 -11.197 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.370 0.778 -8.707 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.068 1.319 -9.654 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.888 -0.050 -8.666 1.00 15.00 H new ATOM 219 N GLY A 379 4.174 -4.139 -11.936 1.00 15.00 N ATOM 220 CA GLY A 379 3.225 -5.027 -11.316 1.00 15.00 C ATOM 221 C GLY A 379 3.489 -5.153 -9.837 1.00 15.00 C ATOM 222 O GLY A 379 3.740 -6.239 -9.316 1.00 15.00 O ATOM 0 H GLY A 379 3.888 -3.160 -11.945 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.214 -4.655 -11.478 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.282 -6.010 -11.784 1.00 15.00 H new ATOM 226 N ARG A 380 3.450 -4.011 -9.170 1.00 15.00 N ATOM 227 CA ARG A 380 3.638 -3.941 -7.733 1.00 15.00 C ATOM 228 C ARG A 380 2.395 -3.338 -7.094 1.00 15.00 C ATOM 229 O ARG A 380 2.142 -2.141 -7.222 1.00 15.00 O ATOM 230 CB ARG A 380 4.867 -3.091 -7.398 1.00 15.00 C ATOM 231 CG ARG A 380 6.145 -3.579 -8.059 1.00 15.00 C ATOM 232 CD ARG A 380 6.656 -4.859 -7.425 1.00 15.00 C ATOM 233 NE ARG A 380 7.164 -4.634 -6.073 1.00 15.00 N ATOM 234 CZ ARG A 380 7.266 -5.590 -5.150 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.832 -6.816 -5.415 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.794 -5.317 -3.965 1.00 15.00 N ATOM 0 H ARG A 380 3.287 -3.106 -9.612 1.00 15.00 H new ATOM 0 HA ARG A 380 3.798 -4.946 -7.342 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.680 -2.062 -7.704 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.008 -3.082 -6.317 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.964 -3.747 -9.121 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.910 -2.806 -7.985 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.852 -5.594 -7.393 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.448 -5.280 -8.045 1.00 15.00 H new ATOM 0 HE ARG A 380 7.458 -3.690 -5.821 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.421 -7.026 -6.325 1.00 15.00 H new ATOM 0 HH12 ARG A 380 6.910 -7.548 -4.709 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.123 -4.374 -3.758 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.871 -6.050 -3.260 1.00 15.00 H new ATOM 250 N THR A 381 1.600 -4.175 -6.454 1.00 15.00 N ATOM 251 CA THR A 381 0.354 -3.730 -5.857 1.00 15.00 C ATOM 252 C THR A 381 0.511 -3.499 -4.359 1.00 15.00 C ATOM 253 O THR A 381 0.389 -4.427 -3.562 1.00 15.00 O ATOM 254 CB THR A 381 -0.764 -4.760 -6.105 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.296 -6.071 -5.760 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.209 -4.744 -7.560 1.00 15.00 C ATOM 0 H THR A 381 1.795 -5.169 -6.334 1.00 15.00 H new ATOM 0 HA THR A 381 0.084 -2.785 -6.328 1.00 15.00 H new ATOM 0 HB THR A 381 -1.618 -4.496 -5.481 1.00 15.00 H new ATOM 0 HG1 THR A 381 0.141 -6.042 -4.883 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.999 -5.481 -7.707 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.585 -3.753 -7.815 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.362 -4.987 -8.202 1.00 15.00 H new ATOM 264 N TYR A 382 0.806 -2.268 -3.975 1.00 15.00 N ATOM 265 CA TYR A 382 0.955 -1.944 -2.570 1.00 15.00 C ATOM 266 C TYR A 382 -0.107 -0.950 -2.118 1.00 15.00 C ATOM 267 O TYR A 382 -0.224 0.155 -2.654 1.00 15.00 O ATOM 268 CB TYR A 382 2.369 -1.422 -2.269 1.00 15.00 C ATOM 269 CG TYR A 382 2.909 -0.399 -3.252 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.630 0.955 -3.109 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.719 -0.789 -4.313 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.137 1.887 -3.995 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.233 0.138 -5.199 1.00 15.00 C ATOM 274 CZ TYR A 382 3.939 1.475 -5.036 1.00 15.00 C ATOM 275 OH TYR A 382 4.451 2.405 -5.917 1.00 15.00 O ATOM 0 H TYR A 382 0.946 -1.484 -4.612 1.00 15.00 H new ATOM 0 HA TYR A 382 0.812 -2.862 -2.001 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.370 -0.979 -1.273 1.00 15.00 H new ATOM 0 HB3 TYR A 382 3.053 -2.270 -2.241 1.00 15.00 H new ATOM 0 HD1 TYR A 382 2.006 1.285 -2.291 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.950 -1.835 -4.447 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.905 2.935 -3.871 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.862 -0.183 -6.016 1.00 15.00 H new ATOM 0 HH TYR A 382 4.898 1.943 -6.657 1.00 15.00 H new ATOM 285 N TYR A 383 -0.906 -1.372 -1.151 1.00 15.00 N ATOM 286 CA TYR A 383 -1.884 -0.496 -0.531 1.00 15.00 C ATOM 287 C TYR A 383 -1.242 0.192 0.662 1.00 15.00 C ATOM 288 O TYR A 383 -0.882 -0.461 1.642 1.00 15.00 O ATOM 289 CB TYR A 383 -3.118 -1.289 -0.082 1.00 15.00 C ATOM 290 CG TYR A 383 -3.814 -2.027 -1.202 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.412 -3.304 -1.574 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.879 -1.452 -1.883 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.048 -3.985 -2.593 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.523 -2.127 -2.901 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.103 -3.394 -3.253 1.00 15.00 C ATOM 296 OH TYR A 383 -5.741 -4.072 -4.266 1.00 15.00 O ATOM 0 H TYR A 383 -0.895 -2.321 -0.778 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.209 0.249 -1.257 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.818 -2.007 0.681 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.827 -0.605 0.385 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.587 -3.772 -1.057 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.209 -0.460 -1.612 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.720 -4.976 -2.871 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.351 -1.666 -3.419 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.463 -3.517 -4.627 1.00 15.00 H new ATOM 306 N VAL A 384 -1.057 1.496 0.566 1.00 15.00 N ATOM 307 CA VAL A 384 -0.391 2.236 1.623 1.00 15.00 C ATOM 308 C VAL A 384 -1.381 3.076 2.420 1.00 15.00 C ATOM 309 O VAL A 384 -2.287 3.695 1.860 1.00 15.00 O ATOM 310 CB VAL A 384 0.734 3.131 1.069 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.896 2.287 0.564 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.219 4.032 -0.030 1.00 15.00 C ATOM 0 H VAL A 384 -1.356 2.062 -0.228 1.00 15.00 H new ATOM 0 HA VAL A 384 0.056 1.500 2.291 1.00 15.00 H new ATOM 0 HB VAL A 384 1.093 3.760 1.884 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.679 2.940 0.177 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.294 1.689 1.383 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.548 1.627 -0.231 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.033 4.653 -0.403 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.176 3.424 -0.844 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.573 4.670 0.363 1.00 15.00 H new ATOM 322 N ASN A 385 -1.207 3.083 3.731 1.00 15.00 N ATOM 323 CA ASN A 385 -2.118 3.774 4.628 1.00 15.00 C ATOM 324 C ASN A 385 -1.405 4.888 5.391 1.00 15.00 C ATOM 325 O ASN A 385 -0.380 4.652 6.033 1.00 15.00 O ATOM 326 CB ASN A 385 -2.722 2.762 5.605 1.00 15.00 C ATOM 327 CG ASN A 385 -3.476 3.417 6.738 1.00 15.00 C ATOM 328 OD1 ASN A 385 -2.907 3.716 7.781 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.762 3.647 6.545 1.00 15.00 N ATOM 0 H ASN A 385 -0.434 2.612 4.202 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.910 4.235 4.038 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.396 2.098 5.063 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -1.926 2.141 6.016 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.317 4.088 7.278 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -5.200 3.384 5.662 1.00 15.00 H new ATOM 336 N HIS A 386 -1.965 6.097 5.329 1.00 15.00 N ATOM 337 CA HIS A 386 -1.403 7.256 6.028 1.00 15.00 C ATOM 338 C HIS A 386 -1.906 7.324 7.466 1.00 15.00 C ATOM 339 O HIS A 386 -1.343 8.036 8.296 1.00 15.00 O ATOM 340 CB HIS A 386 -1.777 8.567 5.326 1.00 15.00 C ATOM 341 CG HIS A 386 -1.157 8.765 3.979 1.00 15.00 C ATOM 342 ND1 HIS A 386 -0.010 9.500 3.780 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.559 8.361 2.753 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.266 9.540 2.490 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.660 8.857 1.845 1.00 15.00 N ATOM 0 H HIS A 386 -2.812 6.301 4.799 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.320 7.133 6.019 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.861 8.607 5.219 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.489 9.400 5.968 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.428 7.759 2.530 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.107 10.046 2.039 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.700 8.720 0.835 1.00 15.00 H new ATOM 354 N ASN A 387 -2.982 6.598 7.739 1.00 15.00 N ATOM 355 CA ASN A 387 -3.626 6.617 9.052 1.00 15.00 C ATOM 356 C ASN A 387 -2.668 6.163 10.145 1.00 15.00 C ATOM 357 O ASN A 387 -2.277 6.941 11.012 1.00 15.00 O ATOM 358 CB ASN A 387 -4.859 5.708 9.049 1.00 15.00 C ATOM 359 CG ASN A 387 -6.051 6.313 8.341 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.906 7.123 7.428 1.00 15.00 O ATOM 361 ND2 ASN A 387 -7.238 5.904 8.750 1.00 15.00 N ATOM 0 H ASN A 387 -3.433 5.982 7.063 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.926 7.644 9.259 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.603 4.763 8.570 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.135 5.479 10.078 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -8.082 6.262 8.304 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -7.310 5.230 9.512 1.00 15.00 H new ATOM 368 N ASN A 388 -2.292 4.899 10.089 1.00 15.00 N ATOM 369 CA ASN A 388 -1.411 4.307 11.084 1.00 15.00 C ATOM 370 C ASN A 388 0.001 4.138 10.527 1.00 15.00 C ATOM 371 O ASN A 388 0.940 3.865 11.279 1.00 15.00 O ATOM 372 CB ASN A 388 -1.977 2.975 11.599 1.00 15.00 C ATOM 373 CG ASN A 388 -2.241 1.953 10.507 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.532 1.888 9.509 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.285 1.156 10.689 1.00 15.00 N ATOM 0 H ASN A 388 -2.586 4.254 9.356 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.352 4.987 11.934 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.279 2.549 12.320 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.907 3.169 12.133 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.522 0.458 9.985 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -3.851 1.241 11.533 1.00 15.00 H new ATOM 382 N ARG A 389 0.113 4.255 9.198 1.00 15.00 N ATOM 383 CA ARG A 389 1.387 4.158 8.475 1.00 15.00 C ATOM 384 C ARG A 389 1.801 2.705 8.278 1.00 15.00 C ATOM 385 O ARG A 389 2.725 2.212 8.922 1.00 15.00 O ATOM 386 CB ARG A 389 2.512 4.959 9.146 1.00 15.00 C ATOM 387 CG ARG A 389 2.258 6.459 9.189 1.00 15.00 C ATOM 388 CD ARG A 389 3.405 7.206 9.855 1.00 15.00 C ATOM 389 NE ARG A 389 4.656 7.072 9.107 1.00 15.00 N ATOM 390 CZ ARG A 389 5.858 6.978 9.671 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.988 7.028 10.990 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 6.935 6.849 8.910 1.00 15.00 N ATOM 0 H ARG A 389 -0.687 4.422 8.588 1.00 15.00 H new ATOM 0 HA ARG A 389 1.220 4.606 7.495 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.648 4.594 10.164 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.445 4.773 8.614 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.120 6.834 8.175 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.333 6.656 9.730 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.147 8.261 9.943 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.546 6.826 10.867 1.00 15.00 H new ATOM 0 HE ARG A 389 4.603 7.049 8.089 1.00 15.00 H new ATOM 0 HH11 ARG A 389 5.163 7.139 11.580 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.913 6.955 11.414 1.00 15.00 H new ATOM 0 HH21 ARG A 389 6.842 6.822 7.895 1.00 15.00 H new ATOM 0 HH22 ARG A 389 7.857 6.777 9.340 1.00 15.00 H new ATOM 406 N THR A 390 1.068 2.011 7.421 1.00 15.00 N ATOM 407 CA THR A 390 1.373 0.629 7.090 1.00 15.00 C ATOM 408 C THR A 390 0.941 0.326 5.661 1.00 15.00 C ATOM 409 O THR A 390 0.022 0.957 5.135 1.00 15.00 O ATOM 410 CB THR A 390 0.696 -0.370 8.058 1.00 15.00 C ATOM 411 OG1 THR A 390 1.284 -1.669 7.906 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.804 -0.474 7.802 1.00 15.00 C ATOM 0 H THR A 390 0.251 2.387 6.939 1.00 15.00 H new ATOM 0 HA THR A 390 2.452 0.506 7.188 1.00 15.00 H new ATOM 0 HB THR A 390 0.849 0.000 9.072 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.853 -2.297 8.522 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.244 -1.185 8.501 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.265 0.504 7.940 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.976 -0.815 6.781 1.00 15.00 H new ATOM 420 N THR A 391 1.639 -0.594 5.020 1.00 15.00 N ATOM 421 CA THR A 391 1.280 -1.019 3.683 1.00 15.00 C ATOM 422 C THR A 391 1.000 -2.524 3.664 1.00 15.00 C ATOM 423 O THR A 391 1.621 -3.289 4.407 1.00 15.00 O ATOM 424 CB THR A 391 2.381 -0.651 2.664 1.00 15.00 C ATOM 425 OG1 THR A 391 2.036 -1.132 1.362 1.00 15.00 O ATOM 426 CG2 THR A 391 3.732 -1.206 3.082 1.00 15.00 C ATOM 0 H THR A 391 2.459 -1.061 5.407 1.00 15.00 H new ATOM 0 HA THR A 391 0.372 -0.492 3.390 1.00 15.00 H new ATOM 0 HB THR A 391 2.456 0.436 2.636 1.00 15.00 H new ATOM 0 HG1 THR A 391 1.075 -1.014 1.214 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.484 -0.929 2.343 1.00 15.00 H new ATOM 0 HG22 THR A 391 4.009 -0.796 4.053 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.674 -2.292 3.150 1.00 15.00 H new ATOM 434 N THR A 392 0.049 -2.942 2.838 1.00 15.00 N ATOM 435 CA THR A 392 -0.388 -4.330 2.811 1.00 15.00 C ATOM 436 C THR A 392 -0.616 -4.817 1.378 1.00 15.00 C ATOM 437 O THR A 392 -0.928 -4.025 0.485 1.00 15.00 O ATOM 438 CB THR A 392 -1.672 -4.522 3.653 1.00 15.00 C ATOM 439 OG1 THR A 392 -2.086 -5.895 3.627 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.810 -3.631 3.160 1.00 15.00 C ATOM 0 H THR A 392 -0.435 -2.336 2.176 1.00 15.00 H new ATOM 0 HA THR A 392 0.409 -4.931 3.250 1.00 15.00 H new ATOM 0 HB THR A 392 -1.436 -4.233 4.677 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.543 -6.115 4.465 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.694 -3.795 3.777 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.509 -2.586 3.228 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.041 -3.876 2.123 1.00 15.00 H new ATOM 448 N TRP A 393 -0.411 -6.116 1.160 1.00 15.00 N ATOM 449 CA TRP A 393 -0.624 -6.727 -0.151 1.00 15.00 C ATOM 450 C TRP A 393 -2.106 -6.985 -0.405 1.00 15.00 C ATOM 451 O TRP A 393 -2.547 -7.055 -1.551 1.00 15.00 O ATOM 452 CB TRP A 393 0.118 -8.065 -0.268 1.00 15.00 C ATOM 453 CG TRP A 393 1.610 -7.968 -0.228 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.436 -8.477 0.731 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.456 -7.337 -1.193 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.742 -8.191 0.426 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.779 -7.486 -0.745 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.223 -6.652 -2.388 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.867 -6.977 -1.445 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.305 -6.144 -3.086 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.615 -6.306 -2.611 1.00 15.00 C ATOM 0 H TRP A 393 -0.096 -6.768 1.879 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.238 -6.024 -0.889 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.210 -8.717 0.542 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.175 -8.545 -1.202 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.109 -9.025 1.603 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.554 -8.460 0.982 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.218 -6.521 -2.760 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.876 -7.107 -1.081 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.138 -5.614 -4.012 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.439 -5.894 -3.175 1.00 15.00 H new ATOM 472 N THR A 394 -2.866 -7.154 0.667 1.00 15.00 N ATOM 473 CA THR A 394 -4.251 -7.578 0.549 1.00 15.00 C ATOM 474 C THR A 394 -5.190 -6.378 0.474 1.00 15.00 C ATOM 475 O THR A 394 -4.897 -5.307 1.010 1.00 15.00 O ATOM 476 CB THR A 394 -4.662 -8.509 1.717 1.00 15.00 C ATOM 477 OG1 THR A 394 -5.950 -9.088 1.464 1.00 15.00 O ATOM 478 CG2 THR A 394 -4.694 -7.760 3.042 1.00 15.00 C ATOM 0 H THR A 394 -2.548 -7.004 1.624 1.00 15.00 H new ATOM 0 HA THR A 394 -4.336 -8.142 -0.380 1.00 15.00 H new ATOM 0 HB THR A 394 -3.914 -9.298 1.786 1.00 15.00 H new ATOM 0 HG1 THR A 394 -6.197 -9.675 2.209 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.986 -8.443 3.839 1.00 15.00 H new ATOM 0 HG22 THR A 394 -3.705 -7.355 3.255 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.414 -6.944 2.981 1.00 15.00 H new ATOM 486 N ARG A 395 -6.306 -6.559 -0.217 1.00 15.00 N ATOM 487 CA ARG A 395 -7.297 -5.509 -0.361 1.00 15.00 C ATOM 488 C ARG A 395 -8.122 -5.366 0.913 1.00 15.00 C ATOM 489 O ARG A 395 -8.676 -6.346 1.418 1.00 15.00 O ATOM 490 CB ARG A 395 -8.231 -5.816 -1.539 1.00 15.00 C ATOM 491 CG ARG A 395 -9.354 -4.802 -1.696 1.00 15.00 C ATOM 492 CD ARG A 395 -8.814 -3.449 -2.117 1.00 15.00 C ATOM 493 NE ARG A 395 -9.639 -2.344 -1.631 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.628 -1.128 -2.172 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.962 -0.904 -3.294 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.307 -0.136 -1.616 1.00 15.00 N ATOM 0 H ARG A 395 -6.547 -7.431 -0.689 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.771 -4.573 -0.549 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.647 -5.846 -2.459 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.663 -6.808 -1.403 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.069 -5.158 -2.438 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.894 -4.704 -0.754 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.798 -3.333 -1.740 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.758 -3.406 -3.205 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.255 -2.514 -0.836 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.455 -1.665 -3.747 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.956 0.029 -3.706 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.845 -0.300 -0.765 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.292 0.792 -2.039 1.00 15.00 H new ATOM 510 N PRO A 396 -8.224 -4.142 1.447 1.00 15.00 N ATOM 511 CA PRO A 396 -9.140 -3.860 2.540 1.00 15.00 C ATOM 512 C PRO A 396 -10.583 -3.927 2.048 1.00 15.00 C ATOM 513 O PRO A 396 -10.961 -3.248 1.087 1.00 15.00 O ATOM 514 CB PRO A 396 -8.771 -2.444 2.998 1.00 15.00 C ATOM 515 CG PRO A 396 -7.940 -1.847 1.907 1.00 15.00 C ATOM 516 CD PRO A 396 -7.416 -2.975 1.056 1.00 15.00 C ATOM 0 HA PRO A 396 -9.061 -4.580 3.355 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -9.666 -1.848 3.174 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -8.217 -2.472 3.936 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.536 -1.160 1.306 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -7.116 -1.271 2.327 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.526 -2.755 -0.006 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.355 -3.149 1.237 1.00 15.00 H new ATOM 588 N GLU B 205 4.696 -12.721 -1.901 1.00 15.00 N ATOM 589 CA GLU B 205 5.664 -11.641 -1.848 1.00 15.00 C ATOM 590 C GLU B 205 6.029 -11.298 -0.419 1.00 15.00 C ATOM 591 O GLU B 205 5.174 -11.307 0.474 1.00 15.00 O ATOM 592 CB GLU B 205 5.101 -10.396 -2.534 1.00 15.00 C ATOM 593 CG GLU B 205 5.193 -10.430 -4.049 1.00 15.00 C ATOM 594 CD GLU B 205 6.626 -10.387 -4.533 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.226 -9.293 -4.530 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 7.164 -11.449 -4.913 1.00 15.00 O ATOM 0 HA GLU B 205 6.562 -11.976 -2.367 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.056 -10.276 -2.246 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.635 -9.519 -2.168 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.712 -11.335 -4.421 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.645 -9.584 -4.464 1.00 15.00 H new ATOM 603 N SER B 206 7.299 -10.989 -0.218 1.00 15.00 N ATOM 604 CA SER B 206 7.763 -10.435 1.040 1.00 15.00 C ATOM 605 C SER B 206 7.068 -9.098 1.285 1.00 15.00 C ATOM 606 O SER B 206 6.691 -8.424 0.328 1.00 15.00 O ATOM 607 CB SER B 206 9.278 -10.249 0.978 1.00 15.00 C ATOM 608 OG SER B 206 9.656 -9.562 -0.203 1.00 15.00 O ATOM 0 H SER B 206 8.031 -11.114 -0.917 1.00 15.00 H new ATOM 0 HA SER B 206 7.525 -11.111 1.861 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.616 -9.692 1.852 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.769 -11.221 1.011 1.00 15.00 H new ATOM 0 HG SER B 206 10.630 -9.453 -0.220 1.00 15.00 H new ATOM 614 N PRO B 207 6.917 -8.683 2.557 1.00 15.00 N ATOM 615 CA PRO B 207 6.191 -7.453 2.916 1.00 15.00 C ATOM 616 C PRO B 207 6.634 -6.251 2.085 1.00 15.00 C ATOM 617 O PRO B 207 7.832 -6.085 1.826 1.00 15.00 O ATOM 618 CB PRO B 207 6.566 -7.254 4.382 1.00 15.00 C ATOM 619 CG PRO B 207 6.802 -8.630 4.885 1.00 15.00 C ATOM 620 CD PRO B 207 7.433 -9.380 3.748 1.00 15.00 C ATOM 0 HA PRO B 207 5.119 -7.539 2.736 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.456 -6.634 4.485 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.767 -6.759 4.934 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.456 -8.620 5.757 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.867 -9.100 5.192 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.521 -9.343 3.796 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.149 -10.432 3.753 1.00 15.00 H new ATOM 628 N PRO B 208 5.673 -5.401 1.650 1.00 15.00 N ATOM 629 CA PRO B 208 5.949 -4.261 0.764 1.00 15.00 C ATOM 630 C PRO B 208 7.092 -3.387 1.245 1.00 15.00 C ATOM 631 O PRO B 208 7.381 -3.321 2.442 1.00 15.00 O ATOM 632 CB PRO B 208 4.645 -3.470 0.792 1.00 15.00 C ATOM 633 CG PRO B 208 3.613 -4.496 1.033 1.00 15.00 C ATOM 634 CD PRO B 208 4.235 -5.474 1.989 1.00 15.00 C ATOM 0 HA PRO B 208 6.254 -4.598 -0.227 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.651 -2.717 1.580 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.475 -2.946 -0.149 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.711 -4.054 1.456 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.322 -4.986 0.104 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.050 -5.197 3.027 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.839 -6.480 1.852 1.00 15.00 H new ATOM 642 N PRO B 209 7.728 -2.685 0.300 1.00 15.00 N ATOM 643 CA PRO B 209 8.831 -1.766 0.587 1.00 15.00 C ATOM 644 C PRO B 209 8.483 -0.813 1.731 1.00 15.00 C ATOM 645 O PRO B 209 7.407 -0.210 1.727 1.00 15.00 O ATOM 646 CB PRO B 209 8.990 -1.015 -0.738 1.00 15.00 C ATOM 647 CG PRO B 209 8.540 -1.992 -1.764 1.00 15.00 C ATOM 648 CD PRO B 209 7.394 -2.718 -1.137 1.00 15.00 C ATOM 0 HA PRO B 209 9.741 -2.270 0.912 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.385 -0.109 -0.758 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.024 -0.711 -0.903 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.233 -1.488 -2.680 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.342 -2.679 -2.032 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.443 -2.226 -1.342 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.311 -3.739 -1.509 1.00 15.00 H new ATOM 656 N PRO B 210 9.384 -0.677 2.727 1.00 15.00 N ATOM 657 CA PRO B 210 9.124 0.110 3.941 1.00 15.00 C ATOM 658 C PRO B 210 8.569 1.500 3.652 1.00 15.00 C ATOM 659 O PRO B 210 9.182 2.303 2.944 1.00 15.00 O ATOM 660 CB PRO B 210 10.502 0.219 4.589 1.00 15.00 C ATOM 661 CG PRO B 210 11.216 -1.009 4.151 1.00 15.00 C ATOM 662 CD PRO B 210 10.722 -1.304 2.762 1.00 15.00 C ATOM 0 HA PRO B 210 8.367 -0.364 4.566 1.00 15.00 H new ATOM 0 HB2 PRO B 210 11.024 1.119 4.264 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.427 0.269 5.675 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.295 -0.856 4.157 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.009 -1.841 4.824 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.382 -0.882 2.004 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.667 -2.377 2.576 1.00 15.00 H new ATOM 670 N TYR B 211 7.402 1.770 4.214 1.00 15.00 N ATOM 671 CA TYR B 211 6.700 3.015 3.974 1.00 15.00 C ATOM 672 C TYR B 211 7.090 4.061 5.015 1.00 15.00 C ATOM 673 O TYR B 211 6.793 3.914 6.202 1.00 15.00 O ATOM 674 CB TYR B 211 5.188 2.769 4.005 1.00 15.00 C ATOM 675 CG TYR B 211 4.366 3.965 3.594 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.222 4.294 2.254 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.728 4.757 4.539 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.468 5.378 1.866 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.971 5.846 4.158 1.00 15.00 C ATOM 680 CZ TYR B 211 2.845 6.150 2.819 1.00 15.00 C ATOM 681 OH TYR B 211 2.101 7.234 2.433 1.00 15.00 O ATOM 0 H TYR B 211 6.918 1.133 4.847 1.00 15.00 H new ATOM 0 HA TYR B 211 6.980 3.394 2.991 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.952 1.934 3.345 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.899 2.471 5.013 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.709 3.690 1.503 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.826 4.517 5.588 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.366 5.621 0.819 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.481 6.456 4.903 1.00 15.00 H new ATOM 0 HH TYR B 211 2.648 8.045 2.495 1.00 15.00 H new ATOM 691 N SER B 212 7.774 5.104 4.576 1.00 15.00 N ATOM 692 CA SER B 212 8.158 6.187 5.463 1.00 15.00 C ATOM 693 C SER B 212 7.139 7.325 5.399 1.00 15.00 C ATOM 694 O SER B 212 6.320 7.483 6.304 1.00 15.00 O ATOM 695 CB SER B 212 9.555 6.683 5.099 1.00 15.00 C ATOM 696 OG SER B 212 9.694 6.811 3.693 1.00 15.00 O ATOM 0 H SER B 212 8.075 5.223 3.609 1.00 15.00 H new ATOM 0 HA SER B 212 8.176 5.816 6.488 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.740 7.645 5.576 1.00 15.00 H new ATOM 0 HB3 SER B 212 10.303 5.989 5.481 1.00 15.00 H new ATOM 0 HG SER B 212 10.596 7.132 3.481 1.00 15.00 H new ATOM 702 N ARG B 213 7.179 8.097 4.320 1.00 15.00 N ATOM 703 CA ARG B 213 6.218 9.180 4.117 1.00 15.00 C ATOM 704 C ARG B 213 5.418 8.951 2.841 1.00 15.00 C ATOM 705 O ARG B 213 4.187 8.989 2.852 1.00 15.00 O ATOM 706 CB ARG B 213 6.902 10.555 4.039 1.00 15.00 C ATOM 707 CG ARG B 213 7.500 11.058 5.349 1.00 15.00 C ATOM 708 CD ARG B 213 8.756 10.295 5.742 1.00 15.00 C ATOM 709 NE ARG B 213 9.749 10.268 4.666 1.00 15.00 N ATOM 710 CZ ARG B 213 11.054 10.077 4.863 1.00 15.00 C ATOM 711 NH1 ARG B 213 11.530 9.924 6.093 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 11.886 10.038 3.829 1.00 15.00 N ATOM 0 H ARG B 213 7.865 7.995 3.572 1.00 15.00 H new ATOM 0 HA ARG B 213 5.553 9.176 4.981 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.694 10.507 3.291 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.174 11.286 3.686 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.736 12.118 5.254 1.00 15.00 H new ATOM 0 HG3 ARG B 213 6.759 10.966 6.143 1.00 15.00 H new ATOM 0 HD2 ARG B 213 9.195 10.754 6.628 1.00 15.00 H new ATOM 0 HD3 ARG B 213 8.488 9.274 6.012 1.00 15.00 H new ATOM 0 HE ARG B 213 9.423 10.403 3.709 1.00 15.00 H new ATOM 0 HH11 ARG B 213 10.897 9.952 6.892 1.00 15.00 H new ATOM 0 HH12 ARG B 213 12.529 9.778 6.239 1.00 15.00 H new ATOM 0 HH21 ARG B 213 11.527 10.154 2.881 1.00 15.00 H new ATOM 0 HH22 ARG B 213 12.884 9.892 3.982 1.00 15.00 H new ATOM 726 N TYR B 214 6.125 8.736 1.738 1.00 15.00 N ATOM 727 CA TYR B 214 5.486 8.502 0.453 1.00 15.00 C ATOM 728 C TYR B 214 5.825 7.102 -0.061 1.00 15.00 C ATOM 729 O TYR B 214 6.832 6.524 0.355 1.00 15.00 O ATOM 730 CB TYR B 214 5.929 9.568 -0.557 1.00 15.00 C ATOM 731 CG TYR B 214 5.488 10.967 -0.189 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.169 11.370 -0.374 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.383 11.880 0.354 1.00 15.00 C ATOM 734 CE1 TYR B 214 3.759 12.644 -0.032 1.00 15.00 C ATOM 735 CE2 TYR B 214 5.978 13.155 0.702 1.00 15.00 C ATOM 736 CZ TYR B 214 4.666 13.532 0.506 1.00 15.00 C ATOM 737 OH TYR B 214 4.260 14.799 0.854 1.00 15.00 O ATOM 0 H TYR B 214 7.144 8.719 1.710 1.00 15.00 H new ATOM 0 HA TYR B 214 4.405 8.570 0.579 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.016 9.548 -0.641 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.529 9.316 -1.539 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.455 10.676 -0.792 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.412 11.589 0.507 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.733 12.943 -0.185 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.686 13.853 1.125 1.00 15.00 H new ATOM 0 HH TYR B 214 5.021 15.297 1.219 1.00 15.00 H new ATOM 747 N PRO B 215 5.005 6.532 -0.973 1.00 15.00 N ATOM 748 CA PRO B 215 5.240 5.186 -1.512 1.00 15.00 C ATOM 749 C PRO B 215 6.456 5.133 -2.432 1.00 15.00 C ATOM 750 O PRO B 215 6.613 5.971 -3.322 1.00 15.00 O ATOM 751 CB PRO B 215 3.969 4.876 -2.318 1.00 15.00 C ATOM 752 CG PRO B 215 2.990 5.941 -1.962 1.00 15.00 C ATOM 753 CD PRO B 215 3.798 7.138 -1.559 1.00 15.00 C ATOM 0 HA PRO B 215 5.440 4.472 -0.713 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.175 4.877 -3.388 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.580 3.889 -2.069 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.345 6.175 -2.809 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.342 5.617 -1.147 1.00 15.00 H new ATOM 0 HD2 PRO B 215 4.037 7.771 -2.413 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.267 7.761 -0.839 1.00 15.00 H new ATOM 761 N MET B 216 7.297 4.130 -2.230 1.00 15.00 N ATOM 762 CA MET B 216 8.503 3.969 -3.026 1.00 15.00 C ATOM 763 C MET B 216 8.718 2.497 -3.369 1.00 15.00 C ATOM 764 O MET B 216 8.678 1.637 -2.493 1.00 15.00 O ATOM 765 CB MET B 216 9.713 4.533 -2.273 1.00 15.00 C ATOM 766 CG MET B 216 9.969 3.881 -0.925 1.00 15.00 C ATOM 767 SD MET B 216 11.205 4.763 0.045 1.00 15.00 S ATOM 768 CE MET B 216 10.362 6.323 0.310 1.00 15.00 C ATOM 0 H MET B 216 7.165 3.412 -1.518 1.00 15.00 H new ATOM 0 HA MET B 216 8.388 4.524 -3.957 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.600 4.415 -2.895 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.567 5.603 -2.124 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.036 3.836 -0.364 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.298 2.853 -1.079 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.772 6.813 1.193 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.503 6.965 -0.559 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.297 6.141 0.457 1.00 15.00 H new ATOM 778 N ASP B 217 8.935 2.217 -4.647 1.00 15.00 N ATOM 779 CA ASP B 217 9.143 0.852 -5.116 1.00 15.00 C ATOM 780 C ASP B 217 10.189 0.840 -6.221 1.00 15.00 C ATOM 781 O ASP B 217 9.965 1.503 -7.259 1.00 15.00 O ATOM 782 CB ASP B 217 7.827 0.246 -5.621 1.00 15.00 C ATOM 783 CG ASP B 217 7.999 -1.158 -6.177 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.966 -2.130 -5.389 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.150 -1.298 -7.408 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.239 0.195 -6.045 1.00 15.00 O ATOM 0 H ASP B 217 8.972 2.922 -5.383 1.00 15.00 H new ATOM 0 HA ASP B 217 9.498 0.246 -4.282 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.106 0.222 -4.804 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.410 0.890 -6.395 1.00 15.00 H new