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 USER MOD Set 1.2: B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 386 HIS : +bothHN:sc= 2.02 K(o=2.8,f=-18!) USER MOD Set 2.2: B 211 TYR OH : rot 180:sc= 0.799 USER MOD Set 3.1: A 385 ASN : amide:sc= -6.04! C(o=-7.4!,f=-16!) USER MOD Set 3.2: A 388 ASN : amide:sc= -1.5 K(o=-7.4,f=-16!) USER MOD Set 3.3: A 390 THR OG1 : rot 93:sc= 0.152 USER MOD Single : A 369 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 375 LYS NZ :NH3+ 158:sc= 1.31 (180deg=1.29) USER MOD Single : A 378 LYS NZ :NH3+ -179:sc= 1.82 (180deg=1.82) USER MOD Single : A 381 THR OG1 : rot 52:sc= 0.265 USER MOD Single : A 382 TYR OH : rot -162:sc= 1.05 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 391 THR OG1 : rot 34:sc= 0.0728 USER MOD Single : A 392 THR OG1 : rot 170:sc= 0.804 USER MOD Single : A 394 THR OG1 : rot 180:sc= 0 USER MOD Single : B 206 SER OG : rot 180:sc= 0 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 24 N LEU A 367 -13.030 1.591 -1.034 1.00 15.00 N ATOM 25 CA LEU A 367 -11.817 2.390 -0.947 1.00 15.00 C ATOM 26 C LEU A 367 -11.905 3.310 0.269 1.00 15.00 C ATOM 27 O LEU A 367 -12.775 4.183 0.330 1.00 15.00 O ATOM 28 CB LEU A 367 -11.626 3.203 -2.239 1.00 15.00 C ATOM 29 CG LEU A 367 -10.233 3.818 -2.449 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.023 4.154 -3.917 1.00 15.00 C ATOM 31 CD2 LEU A 367 -10.043 5.072 -1.605 1.00 15.00 C ATOM 0 HA LEU A 367 -10.953 1.735 -0.831 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.847 2.556 -3.088 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.362 4.007 -2.251 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.495 3.080 -2.134 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.033 4.589 -4.053 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.105 3.245 -4.514 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.780 4.869 -4.239 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -9.047 5.480 -1.779 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.792 5.814 -1.882 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.153 4.821 -0.550 1.00 15.00 H new ATOM 43 N PRO A 368 -11.025 3.118 1.260 1.00 15.00 N ATOM 44 CA PRO A 368 -11.019 3.925 2.473 1.00 15.00 C ATOM 45 C PRO A 368 -10.136 5.169 2.355 1.00 15.00 C ATOM 46 O PRO A 368 -9.072 5.147 1.727 1.00 15.00 O ATOM 47 CB PRO A 368 -10.452 2.956 3.508 1.00 15.00 C ATOM 48 CG PRO A 368 -9.548 2.042 2.744 1.00 15.00 C ATOM 49 CD PRO A 368 -9.991 2.066 1.301 1.00 15.00 C ATOM 0 HA PRO A 368 -12.006 4.318 2.715 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.905 3.488 4.286 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.248 2.399 4.002 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.511 2.367 2.832 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.600 1.029 3.144 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.161 2.296 0.633 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.392 1.101 0.991 1.00 15.00 H new ATOM 57 N SER A 369 -10.579 6.246 2.985 1.00 15.00 N ATOM 58 CA SER A 369 -9.891 7.524 2.913 1.00 15.00 C ATOM 59 C SER A 369 -8.565 7.477 3.673 1.00 15.00 C ATOM 60 O SER A 369 -8.501 7.010 4.814 1.00 15.00 O ATOM 61 CB SER A 369 -10.802 8.620 3.472 1.00 15.00 C ATOM 62 OG SER A 369 -11.318 8.257 4.743 1.00 15.00 O ATOM 0 H SER A 369 -11.422 6.258 3.558 1.00 15.00 H new ATOM 0 HA SER A 369 -9.661 7.746 1.871 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.245 9.553 3.555 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.625 8.801 2.780 1.00 15.00 H new ATOM 0 HG SER A 369 -11.895 8.974 5.079 1.00 15.00 H new ATOM 68 N GLY A 370 -7.512 7.976 3.040 1.00 15.00 N ATOM 69 CA GLY A 370 -6.195 7.943 3.642 1.00 15.00 C ATOM 70 C GLY A 370 -5.333 6.849 3.052 1.00 15.00 C ATOM 71 O GLY A 370 -4.136 6.764 3.332 1.00 15.00 O ATOM 0 H GLY A 370 -7.548 8.405 2.115 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.706 8.907 3.500 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.291 7.790 4.717 1.00 15.00 H new ATOM 75 N TRP A 371 -5.950 6.000 2.249 1.00 15.00 N ATOM 76 CA TRP A 371 -5.249 4.916 1.580 1.00 15.00 C ATOM 77 C TRP A 371 -5.031 5.254 0.109 1.00 15.00 C ATOM 78 O TRP A 371 -5.966 5.658 -0.581 1.00 15.00 O ATOM 79 CB TRP A 371 -6.066 3.625 1.664 1.00 15.00 C ATOM 80 CG TRP A 371 -6.133 2.995 3.025 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.803 3.458 4.127 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.524 1.760 3.417 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.654 2.575 5.170 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.871 1.528 4.761 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.719 0.825 2.758 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.440 0.402 5.457 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.291 -0.291 3.451 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.654 -0.496 4.789 1.00 15.00 C ATOM 0 H TRP A 371 -6.948 6.041 2.042 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.287 4.780 2.075 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.082 3.835 1.329 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.643 2.901 0.967 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.365 4.380 4.170 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.061 2.682 6.099 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.437 0.973 1.726 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.717 0.243 6.489 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.666 -1.018 2.953 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.306 -1.380 5.303 1.00 15.00 H new ATOM 99 N GLU A 372 -3.807 5.090 -0.373 1.00 15.00 N ATOM 100 CA GLU A 372 -3.554 5.182 -1.803 1.00 15.00 C ATOM 101 C GLU A 372 -3.250 3.795 -2.349 1.00 15.00 C ATOM 102 O GLU A 372 -2.240 3.182 -1.993 1.00 15.00 O ATOM 103 CB GLU A 372 -2.405 6.136 -2.144 1.00 15.00 C ATOM 104 CG GLU A 372 -2.552 7.541 -1.593 1.00 15.00 C ATOM 105 CD GLU A 372 -1.329 8.388 -1.880 1.00 15.00 C ATOM 106 OE1 GLU A 372 -0.861 8.390 -3.039 1.00 15.00 O ATOM 107 OE2 GLU A 372 -0.835 9.059 -0.953 1.00 15.00 O1- ATOM 0 H GLU A 372 -2.984 4.895 0.197 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.452 5.590 -2.267 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.475 5.710 -1.767 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.312 6.195 -3.228 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.432 8.013 -2.030 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.717 7.494 -0.517 1.00 15.00 H new ATOM 114 N GLU A 373 -4.134 3.302 -3.199 1.00 15.00 N ATOM 115 CA GLU A 373 -4.007 1.964 -3.759 1.00 15.00 C ATOM 116 C GLU A 373 -3.272 2.050 -5.074 1.00 15.00 C ATOM 117 O GLU A 373 -3.859 2.350 -6.115 1.00 15.00 O ATOM 118 CB GLU A 373 -5.384 1.373 -3.979 1.00 15.00 C ATOM 119 CG GLU A 373 -6.380 1.905 -2.984 1.00 15.00 C ATOM 120 CD GLU A 373 -7.793 1.447 -3.277 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.110 1.206 -4.463 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.581 1.279 -2.329 1.00 15.00 O ATOM 0 H GLU A 373 -4.956 3.813 -3.520 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.452 1.326 -3.071 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.721 1.601 -4.990 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.332 0.287 -3.898 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.097 1.581 -1.983 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.346 2.994 -2.988 1.00 15.00 H new ATOM 129 N ARG A 374 -1.986 1.818 -5.027 1.00 15.00 N ATOM 130 CA ARG A 374 -1.139 2.180 -6.133 1.00 15.00 C ATOM 131 C ARG A 374 -0.435 0.973 -6.722 1.00 15.00 C ATOM 132 O ARG A 374 0.291 0.252 -6.038 1.00 15.00 O ATOM 133 CB ARG A 374 -0.165 3.244 -5.654 1.00 15.00 C ATOM 134 CG ARG A 374 -0.884 4.500 -5.174 1.00 15.00 C ATOM 135 CD ARG A 374 0.059 5.427 -4.426 1.00 15.00 C ATOM 136 NE ARG A 374 1.262 5.732 -5.203 1.00 15.00 N ATOM 137 CZ ARG A 374 1.875 6.917 -5.199 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.394 7.924 -4.476 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.972 7.097 -5.927 1.00 15.00 N ATOM 0 H ARG A 374 -1.505 1.383 -4.240 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.742 2.586 -6.945 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.442 2.841 -4.843 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.516 3.503 -6.464 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.311 5.025 -6.028 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.713 4.220 -4.524 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.461 6.354 -4.184 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.346 4.966 -3.481 1.00 15.00 H new ATOM 0 HE ARG A 374 1.656 4.992 -5.784 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.550 7.794 -3.918 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.869 8.827 -4.479 1.00 15.00 H new ATOM 0 HH21 ARG A 374 3.344 6.330 -6.487 1.00 15.00 H new ATOM 0 HH22 ARG A 374 3.442 8.002 -5.925 1.00 15.00 H new ATOM 153 N LYS A 375 -0.683 0.765 -8.003 1.00 15.00 N ATOM 154 CA LYS A 375 -0.128 -0.358 -8.731 1.00 15.00 C ATOM 155 C LYS A 375 1.090 0.104 -9.519 1.00 15.00 C ATOM 156 O LYS A 375 0.992 0.980 -10.379 1.00 15.00 O ATOM 157 CB LYS A 375 -1.183 -0.963 -9.673 1.00 15.00 C ATOM 158 CG LYS A 375 -2.313 -1.719 -8.969 1.00 15.00 C ATOM 159 CD LYS A 375 -3.240 -0.802 -8.172 1.00 15.00 C ATOM 160 CE LYS A 375 -4.008 0.157 -9.073 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.900 1.062 -8.292 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.277 1.373 -8.567 1.00 15.00 H new ATOM 0 HA LYS A 375 0.175 -1.130 -8.024 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.618 -0.162 -10.271 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.685 -1.643 -10.364 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.898 -2.261 -9.712 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.882 -2.463 -8.298 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.945 -1.407 -7.602 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.654 -0.231 -7.452 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -3.303 0.754 -9.652 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.604 -0.413 -9.786 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.110 1.912 -8.854 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.787 0.567 -8.068 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.426 1.339 -7.409 1.00 15.00 H new ATOM 175 N ASP A 376 2.233 -0.471 -9.203 1.00 15.00 N ATOM 176 CA ASP A 376 3.490 -0.078 -9.820 1.00 15.00 C ATOM 177 C ASP A 376 3.748 -0.900 -11.078 1.00 15.00 C ATOM 178 O ASP A 376 3.333 -2.053 -11.154 1.00 15.00 O ATOM 179 CB ASP A 376 4.636 -0.245 -8.832 1.00 15.00 C ATOM 180 CG ASP A 376 5.686 0.820 -9.019 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.447 0.745 -10.002 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.747 1.745 -8.192 1.00 15.00 O1- ATOM 0 H ASP A 376 2.320 -1.220 -8.516 1.00 15.00 H new ATOM 0 HA ASP A 376 3.424 0.972 -10.104 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.249 -0.201 -7.814 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.087 -1.229 -8.960 1.00 15.00 H new ATOM 187 N ALA A 377 4.453 -0.310 -12.044 1.00 15.00 N ATOM 188 CA ALA A 377 4.608 -0.890 -13.383 1.00 15.00 C ATOM 189 C ALA A 377 5.272 -2.271 -13.373 1.00 15.00 C ATOM 190 O ALA A 377 5.043 -3.071 -14.278 1.00 15.00 O ATOM 191 CB ALA A 377 5.394 0.060 -14.273 1.00 15.00 C ATOM 0 H ALA A 377 4.933 0.582 -11.923 1.00 15.00 H new ATOM 0 HA ALA A 377 3.603 -1.031 -13.780 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.504 -0.378 -15.265 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.862 1.008 -14.352 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.380 0.232 -13.841 1.00 15.00 H new ATOM 197 N LYS A 378 6.082 -2.557 -12.354 1.00 15.00 N ATOM 198 CA LYS A 378 6.704 -3.885 -12.221 1.00 15.00 C ATOM 199 C LYS A 378 5.641 -4.923 -11.888 1.00 15.00 C ATOM 200 O LYS A 378 5.875 -6.129 -11.954 1.00 15.00 O ATOM 201 CB LYS A 378 7.777 -3.936 -11.129 1.00 15.00 C ATOM 202 CG LYS A 378 8.749 -2.773 -11.117 1.00 15.00 C ATOM 203 CD LYS A 378 8.182 -1.613 -10.330 1.00 15.00 C ATOM 204 CE LYS A 378 9.282 -0.710 -9.788 1.00 15.00 C ATOM 205 NZ LYS A 378 8.766 0.245 -8.773 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.324 -1.899 -11.613 1.00 15.00 H new ATOM 0 HA LYS A 378 7.182 -4.097 -13.177 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.282 -3.984 -10.159 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.344 -4.860 -11.243 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.696 -3.088 -10.679 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.960 -2.458 -12.139 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.515 -1.032 -10.967 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.582 -1.993 -9.503 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.068 -1.321 -9.345 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.735 -0.156 -10.610 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.542 0.853 -8.442 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.022 0.835 -9.198 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.372 -0.283 -7.968 1.00 15.00 H new ATOM 219 N GLY A 379 4.485 -4.427 -11.493 1.00 15.00 N ATOM 220 CA GLY A 379 3.446 -5.260 -10.952 1.00 15.00 C ATOM 221 C GLY A 379 3.566 -5.378 -9.455 1.00 15.00 C ATOM 222 O GLY A 379 3.641 -6.470 -8.899 1.00 15.00 O ATOM 0 H GLY A 379 4.246 -3.436 -11.541 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.472 -4.844 -11.210 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.499 -6.251 -11.403 1.00 15.00 H new ATOM 226 N ARG A 380 3.593 -4.222 -8.813 1.00 15.00 N ATOM 227 CA ARG A 380 3.672 -4.137 -7.367 1.00 15.00 C ATOM 228 C ARG A 380 2.399 -3.496 -6.837 1.00 15.00 C ATOM 229 O ARG A 380 2.163 -2.308 -7.055 1.00 15.00 O ATOM 230 CB ARG A 380 4.886 -3.301 -6.951 1.00 15.00 C ATOM 231 CG ARG A 380 6.166 -3.684 -7.677 1.00 15.00 C ATOM 232 CD ARG A 380 6.675 -5.046 -7.246 1.00 15.00 C ATOM 233 NE ARG A 380 7.257 -5.016 -5.908 1.00 15.00 N ATOM 234 CZ ARG A 380 7.568 -6.110 -5.214 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.309 -7.312 -5.720 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.140 -6.000 -4.022 1.00 15.00 N ATOM 0 H ARG A 380 3.561 -3.316 -9.281 1.00 15.00 H new ATOM 0 HA ARG A 380 3.781 -5.139 -6.952 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.673 -2.248 -7.138 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.041 -3.409 -5.877 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.986 -3.687 -8.752 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.932 -2.933 -7.484 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.854 -5.763 -7.268 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.422 -5.395 -7.958 1.00 15.00 H new ATOM 0 HE ARG A 380 7.436 -4.107 -5.481 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.873 -7.396 -6.638 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.547 -8.150 -5.190 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.342 -5.078 -3.636 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.378 -6.838 -3.491 1.00 15.00 H new ATOM 250 N THR A 381 1.559 -4.282 -6.192 1.00 15.00 N ATOM 251 CA THR A 381 0.306 -3.772 -5.673 1.00 15.00 C ATOM 252 C THR A 381 0.411 -3.483 -4.181 1.00 15.00 C ATOM 253 O THR A 381 0.146 -4.352 -3.352 1.00 15.00 O ATOM 254 CB THR A 381 -0.837 -4.773 -5.930 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.437 -6.086 -5.507 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.213 -4.804 -7.403 1.00 15.00 C ATOM 0 H THR A 381 1.721 -5.273 -6.015 1.00 15.00 H new ATOM 0 HA THR A 381 0.086 -2.840 -6.194 1.00 15.00 H new ATOM 0 HB THR A 381 -1.708 -4.452 -5.358 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.101 -6.045 -4.587 1.00 15.00 H new ATOM 0 HG21 THR A 381 -2.022 -5.518 -7.557 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.540 -3.812 -7.716 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.347 -5.104 -7.993 1.00 15.00 H new ATOM 264 N TYR A 382 0.810 -2.265 -3.843 1.00 15.00 N ATOM 265 CA TYR A 382 0.941 -1.877 -2.454 1.00 15.00 C ATOM 266 C TYR A 382 -0.117 -0.847 -2.072 1.00 15.00 C ATOM 267 O TYR A 382 -0.228 0.221 -2.678 1.00 15.00 O ATOM 268 CB TYR A 382 2.361 -1.362 -2.155 1.00 15.00 C ATOM 269 CG TYR A 382 2.918 -0.355 -3.146 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.558 0.985 -3.091 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.829 -0.746 -4.123 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.080 1.902 -3.980 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.361 0.169 -5.012 1.00 15.00 C ATOM 274 CZ TYR A 382 3.983 1.493 -4.936 1.00 15.00 C ATOM 275 OH TYR A 382 4.513 2.415 -5.812 1.00 15.00 O ATOM 0 H TYR A 382 1.047 -1.533 -4.513 1.00 15.00 H new ATOM 0 HA TYR A 382 0.776 -2.762 -1.840 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.362 -0.908 -1.164 1.00 15.00 H new ATOM 0 HB3 TYR A 382 3.037 -2.216 -2.115 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.857 1.315 -2.339 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.125 -1.783 -4.188 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.781 2.938 -3.926 1.00 15.00 H new ATOM 0 HE2 TYR A 382 5.069 -0.151 -5.762 1.00 15.00 H new ATOM 0 HH TYR A 382 4.898 1.949 -6.584 1.00 15.00 H new ATOM 285 N TYR A 383 -0.916 -1.200 -1.084 1.00 15.00 N ATOM 286 CA TYR A 383 -1.922 -0.301 -0.554 1.00 15.00 C ATOM 287 C TYR A 383 -1.373 0.375 0.691 1.00 15.00 C ATOM 288 O TYR A 383 -1.172 -0.276 1.714 1.00 15.00 O ATOM 289 CB TYR A 383 -3.202 -1.075 -0.214 1.00 15.00 C ATOM 290 CG TYR A 383 -3.771 -1.866 -1.373 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.176 -3.048 -1.796 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.904 -1.431 -2.044 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.691 -3.771 -2.851 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.425 -2.151 -3.101 1.00 15.00 C ATOM 295 CZ TYR A 383 -4.815 -3.319 -3.499 1.00 15.00 C ATOM 296 OH TYR A 383 -5.335 -4.038 -4.550 1.00 15.00 O ATOM 0 H TYR A 383 -0.887 -2.112 -0.629 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.167 0.452 -1.303 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.993 -1.757 0.610 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.957 -0.372 0.138 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.293 -3.407 -1.289 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.386 -0.515 -1.735 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.214 -4.687 -3.166 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.308 -1.799 -3.614 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.130 -3.582 -4.897 1.00 15.00 H new ATOM 306 N VAL A 384 -1.082 1.664 0.594 1.00 15.00 N ATOM 307 CA VAL A 384 -0.512 2.391 1.719 1.00 15.00 C ATOM 308 C VAL A 384 -1.540 3.292 2.382 1.00 15.00 C ATOM 309 O VAL A 384 -2.318 3.972 1.716 1.00 15.00 O ATOM 310 CB VAL A 384 0.707 3.248 1.319 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.927 2.387 1.040 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.383 4.107 0.122 1.00 15.00 C ATOM 0 H VAL A 384 -1.230 2.225 -0.245 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.184 1.625 2.422 1.00 15.00 H new ATOM 0 HB VAL A 384 0.944 3.897 2.162 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.766 3.024 0.761 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.184 1.819 1.934 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.708 1.699 0.224 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.255 4.704 -0.144 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.108 3.470 -0.719 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.449 4.768 0.363 1.00 15.00 H new ATOM 322 N ASN A 385 -1.530 3.283 3.697 1.00 15.00 N ATOM 323 CA ASN A 385 -2.409 4.126 4.479 1.00 15.00 C ATOM 324 C ASN A 385 -1.607 5.171 5.229 1.00 15.00 C ATOM 325 O ASN A 385 -0.658 4.841 5.940 1.00 15.00 O ATOM 326 CB ASN A 385 -3.196 3.289 5.482 1.00 15.00 C ATOM 327 CG ASN A 385 -4.153 4.132 6.304 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.365 3.882 7.483 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.752 5.136 5.678 1.00 15.00 N ATOM 0 H ASN A 385 -0.913 2.692 4.254 1.00 15.00 H new ATOM 0 HA ASN A 385 -3.101 4.619 3.796 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.756 2.520 4.951 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.502 2.776 6.148 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.413 5.728 6.180 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.552 5.316 4.694 1.00 15.00 H new ATOM 336 N HIS A 386 -1.996 6.426 5.081 1.00 15.00 N ATOM 337 CA HIS A 386 -1.360 7.509 5.815 1.00 15.00 C ATOM 338 C HIS A 386 -1.982 7.651 7.201 1.00 15.00 C ATOM 339 O HIS A 386 -1.431 8.320 8.071 1.00 15.00 O ATOM 340 CB HIS A 386 -1.481 8.837 5.064 1.00 15.00 C ATOM 341 CG HIS A 386 -0.846 8.847 3.708 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.506 8.682 3.507 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.383 9.034 2.479 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.777 8.778 2.220 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.352 8.987 1.576 1.00 15.00 N ATOM 0 H HIS A 386 -2.749 6.721 4.460 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.303 7.262 5.914 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.537 9.084 4.958 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.029 9.623 5.668 1.00 15.00 H new ATOM 0 HD1 HIS A 386 1.193 8.512 4.241 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.427 9.191 2.252 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.756 8.699 1.772 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.445 9.097 0.566 1.00 15.00 H new ATOM 354 N ASN A 387 -3.143 7.026 7.393 1.00 15.00 N ATOM 355 CA ASN A 387 -3.885 7.143 8.647 1.00 15.00 C ATOM 356 C ASN A 387 -3.177 6.394 9.780 1.00 15.00 C ATOM 357 O ASN A 387 -2.712 7.003 10.743 1.00 15.00 O ATOM 358 CB ASN A 387 -5.320 6.626 8.481 1.00 15.00 C ATOM 359 CG ASN A 387 -6.157 6.799 9.737 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.939 7.719 10.524 1.00 15.00 O ATOM 361 ND2 ASN A 387 -7.127 5.916 9.930 1.00 15.00 N ATOM 0 H ASN A 387 -3.590 6.432 6.695 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.925 8.200 8.911 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.798 7.154 7.656 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.292 5.570 8.211 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.724 5.986 10.754 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -7.277 5.167 9.254 1.00 15.00 H new ATOM 368 N ASN A 388 -3.082 5.075 9.652 1.00 15.00 N ATOM 369 CA ASN A 388 -2.441 4.248 10.673 1.00 15.00 C ATOM 370 C ASN A 388 -0.984 3.960 10.319 1.00 15.00 C ATOM 371 O ASN A 388 -0.221 3.473 11.156 1.00 15.00 O ATOM 372 CB ASN A 388 -3.213 2.936 10.905 1.00 15.00 C ATOM 373 CG ASN A 388 -3.361 2.079 9.657 1.00 15.00 C ATOM 374 OD1 ASN A 388 -2.513 2.090 8.770 1.00 15.00 O ATOM 375 ND2 ASN A 388 -4.446 1.326 9.585 1.00 15.00 N ATOM 0 H ASN A 388 -3.440 4.554 8.852 1.00 15.00 H new ATOM 0 HA ASN A 388 -2.458 4.815 11.604 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -2.702 2.356 11.673 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -4.205 3.173 11.291 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -4.599 0.729 8.773 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -5.130 1.343 10.342 1.00 15.00 H new ATOM 382 N ARG A 389 -0.628 4.225 9.056 1.00 15.00 N ATOM 383 CA ARG A 389 0.715 3.967 8.528 1.00 15.00 C ATOM 384 C ARG A 389 0.925 2.471 8.327 1.00 15.00 C ATOM 385 O ARG A 389 1.650 1.823 9.078 1.00 15.00 O ATOM 386 CB ARG A 389 1.819 4.546 9.423 1.00 15.00 C ATOM 387 CG ARG A 389 1.639 6.020 9.756 1.00 15.00 C ATOM 388 CD ARG A 389 2.708 6.495 10.725 1.00 15.00 C ATOM 389 NE ARG A 389 2.863 5.576 11.854 1.00 15.00 N ATOM 390 CZ ARG A 389 3.275 5.932 13.068 1.00 15.00 C ATOM 391 NH1 ARG A 389 3.486 7.209 13.358 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 3.445 5.004 13.999 1.00 15.00 N ATOM 0 H ARG A 389 -1.267 4.626 8.370 1.00 15.00 H new ATOM 0 HA ARG A 389 0.785 4.475 7.566 1.00 15.00 H new ATOM 0 HB2 ARG A 389 1.855 3.976 10.352 1.00 15.00 H new ATOM 0 HB3 ARG A 389 2.781 4.411 8.929 1.00 15.00 H new ATOM 0 HG2 ARG A 389 1.684 6.611 8.841 1.00 15.00 H new ATOM 0 HG3 ARG A 389 0.652 6.180 10.191 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.659 6.590 10.200 1.00 15.00 H new ATOM 0 HD3 ARG A 389 2.448 7.486 11.096 1.00 15.00 H new ATOM 0 HE ARG A 389 2.639 4.593 11.699 1.00 15.00 H new ATOM 0 HH11 ARG A 389 3.332 7.925 12.648 1.00 15.00 H new ATOM 0 HH12 ARG A 389 3.802 7.475 14.291 1.00 15.00 H new ATOM 0 HH21 ARG A 389 3.260 4.025 13.782 1.00 15.00 H new ATOM 0 HH22 ARG A 389 3.761 5.269 14.932 1.00 15.00 H new ATOM 406 N THR A 390 0.231 1.927 7.340 1.00 15.00 N ATOM 407 CA THR A 390 0.260 0.498 7.058 1.00 15.00 C ATOM 408 C THR A 390 0.196 0.249 5.553 1.00 15.00 C ATOM 409 O THR A 390 -0.511 0.954 4.843 1.00 15.00 O ATOM 410 CB THR A 390 -0.930 -0.208 7.754 1.00 15.00 C ATOM 411 OG1 THR A 390 -0.731 -0.220 9.172 1.00 15.00 O ATOM 412 CG2 THR A 390 -1.130 -1.626 7.244 1.00 15.00 C ATOM 0 H THR A 390 -0.368 2.462 6.711 1.00 15.00 H new ATOM 0 HA THR A 390 1.194 0.091 7.444 1.00 15.00 H new ATOM 0 HB THR A 390 -1.832 0.356 7.515 1.00 15.00 H new ATOM 0 HG1 THR A 390 -1.162 0.565 9.569 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.975 -2.082 7.760 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.329 -1.603 6.172 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.230 -2.211 7.434 1.00 15.00 H new ATOM 420 N THR A 391 0.949 -0.732 5.064 1.00 15.00 N ATOM 421 CA THR A 391 0.866 -1.111 3.664 1.00 15.00 C ATOM 422 C THR A 391 0.724 -2.629 3.522 1.00 15.00 C ATOM 423 O THR A 391 1.297 -3.395 4.301 1.00 15.00 O ATOM 424 CB THR A 391 2.071 -0.590 2.842 1.00 15.00 C ATOM 425 OG1 THR A 391 1.898 -0.920 1.459 1.00 15.00 O ATOM 426 CG2 THR A 391 3.390 -1.160 3.341 1.00 15.00 C ATOM 0 H THR A 391 1.617 -1.273 5.614 1.00 15.00 H new ATOM 0 HA THR A 391 -0.026 -0.637 3.255 1.00 15.00 H new ATOM 0 HB THR A 391 2.107 0.492 2.965 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.945 -0.887 1.232 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.208 -0.768 2.736 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.539 -0.874 4.382 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.369 -2.247 3.263 1.00 15.00 H new ATOM 434 N THR A 392 -0.072 -3.046 2.547 1.00 15.00 N ATOM 435 CA THR A 392 -0.396 -4.453 2.345 1.00 15.00 C ATOM 436 C THR A 392 -0.660 -4.740 0.866 1.00 15.00 C ATOM 437 O THR A 392 -1.068 -3.845 0.127 1.00 15.00 O ATOM 438 CB THR A 392 -1.629 -4.864 3.185 1.00 15.00 C ATOM 439 OG1 THR A 392 -2.062 -6.182 2.824 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.777 -3.880 3.001 1.00 15.00 C ATOM 0 H THR A 392 -0.512 -2.419 1.873 1.00 15.00 H new ATOM 0 HA THR A 392 0.462 -5.041 2.673 1.00 15.00 H new ATOM 0 HB THR A 392 -1.332 -4.855 4.234 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.734 -6.493 3.466 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.628 -4.197 3.604 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.459 -2.886 3.316 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.067 -3.852 1.951 1.00 15.00 H new ATOM 448 N TRP A 393 -0.371 -5.970 0.427 1.00 15.00 N ATOM 449 CA TRP A 393 -0.713 -6.398 -0.934 1.00 15.00 C ATOM 450 C TRP A 393 -2.208 -6.712 -1.026 1.00 15.00 C ATOM 451 O TRP A 393 -2.756 -6.911 -2.113 1.00 15.00 O ATOM 452 CB TRP A 393 0.048 -7.667 -1.340 1.00 15.00 C ATOM 453 CG TRP A 393 1.528 -7.650 -1.111 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.206 -8.321 -0.135 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.519 -6.964 -1.885 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.550 -8.099 -0.261 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.767 -7.261 -1.315 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.476 -6.127 -3.000 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.959 -6.755 -1.814 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.663 -5.620 -3.500 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.890 -5.934 -2.906 1.00 15.00 C ATOM 0 H TRP A 393 0.095 -6.682 0.989 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.439 -5.580 -1.600 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.374 -8.510 -0.793 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.133 -7.852 -2.399 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.749 -8.937 0.625 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.274 -8.497 0.338 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.533 -5.879 -3.465 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.906 -7.000 -1.357 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.641 -4.971 -4.363 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.799 -5.521 -3.317 1.00 15.00 H new ATOM 472 N THR A 394 -2.847 -6.787 0.129 1.00 15.00 N ATOM 473 CA THR A 394 -4.214 -7.268 0.245 1.00 15.00 C ATOM 474 C THR A 394 -5.210 -6.108 0.317 1.00 15.00 C ATOM 475 O THR A 394 -4.868 -5.020 0.778 1.00 15.00 O ATOM 476 CB THR A 394 -4.351 -8.157 1.498 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.236 -9.062 1.563 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.650 -8.954 1.473 1.00 15.00 C ATOM 0 H THR A 394 -2.430 -6.514 1.019 1.00 15.00 H new ATOM 0 HA THR A 394 -4.443 -7.853 -0.646 1.00 15.00 H new ATOM 0 HB THR A 394 -4.365 -7.511 2.376 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.319 -9.627 2.359 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.716 -9.570 2.370 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.497 -8.269 1.441 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.667 -9.594 0.591 1.00 15.00 H new ATOM 486 N ARG A 395 -6.429 -6.335 -0.170 1.00 15.00 N ATOM 487 CA ARG A 395 -7.481 -5.327 -0.096 1.00 15.00 C ATOM 488 C ARG A 395 -7.923 -5.144 1.353 1.00 15.00 C ATOM 489 O ARG A 395 -8.414 -6.082 1.983 1.00 15.00 O ATOM 490 CB ARG A 395 -8.693 -5.738 -0.943 1.00 15.00 C ATOM 491 CG ARG A 395 -8.481 -5.634 -2.446 1.00 15.00 C ATOM 492 CD ARG A 395 -8.118 -4.217 -2.856 1.00 15.00 C ATOM 493 NE ARG A 395 -9.009 -3.217 -2.265 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.001 -1.930 -2.605 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.317 -1.526 -3.666 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.713 -1.049 -1.921 1.00 15.00 N ATOM 0 H ARG A 395 -6.710 -7.207 -0.619 1.00 15.00 H new ATOM 0 HA ARG A 395 -7.081 -4.390 -0.484 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -8.959 -6.766 -0.697 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -9.542 -5.114 -0.665 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -7.689 -6.317 -2.752 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.388 -5.944 -2.966 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.091 -4.007 -2.556 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.155 -4.136 -3.942 1.00 15.00 H new ATOM 0 HE ARG A 395 -9.673 -3.523 -1.553 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -7.795 -2.202 -4.224 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.312 -0.539 -3.924 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.274 -1.354 -1.126 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.701 -0.065 -2.189 1.00 15.00 H new ATOM 510 N PRO A 396 -7.741 -3.932 1.899 1.00 15.00 N ATOM 511 CA PRO A 396 -8.076 -3.633 3.292 1.00 15.00 C ATOM 512 C PRO A 396 -9.578 -3.533 3.528 1.00 15.00 C ATOM 513 O PRO A 396 -10.258 -2.677 2.957 1.00 15.00 O ATOM 514 CB PRO A 396 -7.400 -2.284 3.534 1.00 15.00 C ATOM 515 CG PRO A 396 -7.350 -1.639 2.193 1.00 15.00 C ATOM 516 CD PRO A 396 -7.189 -2.755 1.199 1.00 15.00 C ATOM 0 HA PRO A 396 -7.743 -4.421 3.968 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -7.966 -1.679 4.243 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.400 -2.411 3.950 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.261 -1.073 1.999 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.518 -0.937 2.129 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.730 -2.549 0.275 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.143 -2.903 0.930 1.00 15.00 H new ATOM 588 N GLU B 205 4.742 -12.434 -2.594 1.00 15.00 N ATOM 589 CA GLU B 205 5.899 -11.566 -2.444 1.00 15.00 C ATOM 590 C GLU B 205 6.233 -11.354 -0.977 1.00 15.00 C ATOM 591 O GLU B 205 5.438 -11.678 -0.090 1.00 15.00 O ATOM 592 CB GLU B 205 5.619 -10.206 -3.087 1.00 15.00 C ATOM 593 CG GLU B 205 5.445 -10.252 -4.593 1.00 15.00 C ATOM 594 CD GLU B 205 6.724 -10.616 -5.317 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.738 -9.905 -5.137 1.00 15.00 O ATOM 596 OE2 GLU B 205 6.712 -11.595 -6.092 1.00 15.00 O1- ATOM 0 HA GLU B 205 6.744 -12.047 -2.937 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.718 -9.785 -2.641 1.00 15.00 H new ATOM 0 HB3 GLU B 205 6.439 -9.529 -2.848 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.671 -10.978 -4.843 1.00 15.00 H new ATOM 0 HG3 GLU B 205 5.097 -9.281 -4.944 1.00 15.00 H new ATOM 603 N SER B 206 7.407 -10.801 -0.732 1.00 15.00 N ATOM 604 CA SER B 206 7.775 -10.348 0.593 1.00 15.00 C ATOM 605 C SER B 206 6.955 -9.103 0.924 1.00 15.00 C ATOM 606 O SER B 206 6.533 -8.394 0.015 1.00 15.00 O ATOM 607 CB SER B 206 9.270 -10.032 0.628 1.00 15.00 C ATOM 608 OG SER B 206 10.035 -11.151 0.207 1.00 15.00 O ATOM 0 H SER B 206 8.126 -10.655 -1.441 1.00 15.00 H new ATOM 0 HA SER B 206 7.571 -11.123 1.331 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.481 -9.179 -0.017 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.562 -9.747 1.639 1.00 15.00 H new ATOM 0 HG SER B 206 10.988 -10.925 0.236 1.00 15.00 H new ATOM 614 N PRO B 207 6.713 -8.823 2.214 1.00 15.00 N ATOM 615 CA PRO B 207 5.913 -7.665 2.644 1.00 15.00 C ATOM 616 C PRO B 207 6.339 -6.362 1.966 1.00 15.00 C ATOM 617 O PRO B 207 7.534 -6.122 1.786 1.00 15.00 O ATOM 618 CB PRO B 207 6.187 -7.599 4.142 1.00 15.00 C ATOM 619 CG PRO B 207 6.447 -9.011 4.518 1.00 15.00 C ATOM 620 CD PRO B 207 7.189 -9.614 3.362 1.00 15.00 C ATOM 0 HA PRO B 207 4.861 -7.779 2.384 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.043 -6.962 4.364 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.336 -7.190 4.687 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.036 -9.069 5.433 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.514 -9.544 4.704 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.269 -9.532 3.489 1.00 15.00 H new ATOM 0 HD3 PRO B 207 6.961 -10.673 3.245 1.00 15.00 H new ATOM 628 N PRO B 208 5.362 -5.500 1.604 1.00 15.00 N ATOM 629 CA PRO B 208 5.618 -4.252 0.866 1.00 15.00 C ATOM 630 C PRO B 208 6.740 -3.409 1.465 1.00 15.00 C ATOM 631 O PRO B 208 6.947 -3.399 2.683 1.00 15.00 O ATOM 632 CB PRO B 208 4.290 -3.507 0.978 1.00 15.00 C ATOM 633 CG PRO B 208 3.281 -4.586 1.059 1.00 15.00 C ATOM 634 CD PRO B 208 3.918 -5.668 1.883 1.00 15.00 C ATOM 0 HA PRO B 208 5.943 -4.455 -0.154 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.264 -2.869 1.861 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.119 -2.864 0.115 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.361 -4.229 1.523 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.017 -4.952 0.067 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.696 -5.550 2.944 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.564 -6.657 1.592 1.00 15.00 H new ATOM 642 N PRO B 209 7.445 -2.668 0.598 1.00 15.00 N ATOM 643 CA PRO B 209 8.576 -1.822 0.988 1.00 15.00 C ATOM 644 C PRO B 209 8.216 -0.877 2.130 1.00 15.00 C ATOM 645 O PRO B 209 7.113 -0.328 2.162 1.00 15.00 O ATOM 646 CB PRO B 209 8.883 -1.034 -0.288 1.00 15.00 C ATOM 647 CG PRO B 209 8.379 -1.896 -1.391 1.00 15.00 C ATOM 648 CD PRO B 209 7.167 -2.582 -0.847 1.00 15.00 C ATOM 0 HA PRO B 209 9.421 -2.405 1.355 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.386 -0.064 -0.284 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.952 -0.844 -0.390 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.131 -1.302 -2.270 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.134 -2.620 -1.698 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.259 -2.014 -1.049 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.031 -3.569 -1.290 1.00 15.00 H new ATOM 656 N PRO B 210 9.155 -0.673 3.070 1.00 15.00 N ATOM 657 CA PRO B 210 8.922 0.120 4.281 1.00 15.00 C ATOM 658 C PRO B 210 8.302 1.484 3.994 1.00 15.00 C ATOM 659 O PRO B 210 8.872 2.307 3.276 1.00 15.00 O ATOM 660 CB PRO B 210 10.321 0.288 4.893 1.00 15.00 C ATOM 661 CG PRO B 210 11.278 -0.183 3.848 1.00 15.00 C ATOM 662 CD PRO B 210 10.527 -1.185 3.023 1.00 15.00 C ATOM 0 HA PRO B 210 8.211 -0.376 4.941 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.510 1.328 5.157 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.421 -0.296 5.808 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.625 0.648 3.233 1.00 15.00 H new ATOM 0 HG3 PRO B 210 12.161 -0.634 4.302 1.00 15.00 H new ATOM 0 HD2 PRO B 210 10.906 -1.236 2.002 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.599 -2.189 3.440 1.00 15.00 H new ATOM 670 N TYR B 211 7.125 1.704 4.557 1.00 15.00 N ATOM 671 CA TYR B 211 6.434 2.971 4.415 1.00 15.00 C ATOM 672 C TYR B 211 7.093 4.027 5.293 1.00 15.00 C ATOM 673 O TYR B 211 7.192 3.856 6.510 1.00 15.00 O ATOM 674 CB TYR B 211 4.954 2.817 4.795 1.00 15.00 C ATOM 675 CG TYR B 211 4.211 4.132 4.863 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.772 4.766 3.708 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.964 4.750 6.085 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.116 5.978 3.770 1.00 15.00 C ATOM 679 CE2 TYR B 211 3.301 5.958 6.147 1.00 15.00 C ATOM 680 CZ TYR B 211 2.885 6.563 4.999 1.00 15.00 C ATOM 681 OH TYR B 211 2.252 7.776 5.088 1.00 15.00 O ATOM 0 H TYR B 211 6.627 1.015 5.120 1.00 15.00 H new ATOM 0 HA TYR B 211 6.496 3.288 3.374 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.465 2.169 4.067 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.885 2.319 5.762 1.00 15.00 H new ATOM 0 HD1 TYR B 211 3.947 4.304 2.748 1.00 15.00 H new ATOM 0 HD2 TYR B 211 4.296 4.277 6.998 1.00 15.00 H new ATOM 0 HE1 TYR B 211 2.786 6.465 2.864 1.00 15.00 H new ATOM 0 HE2 TYR B 211 3.112 6.423 7.103 1.00 15.00 H new ATOM 0 HH TYR B 211 2.173 8.036 6.030 1.00 15.00 H new ATOM 691 N SER B 212 7.559 5.102 4.677 1.00 15.00 N ATOM 692 CA SER B 212 8.136 6.201 5.429 1.00 15.00 C ATOM 693 C SER B 212 7.188 7.401 5.419 1.00 15.00 C ATOM 694 O SER B 212 6.501 7.674 6.401 1.00 15.00 O ATOM 695 CB SER B 212 9.486 6.587 4.825 1.00 15.00 C ATOM 696 OG SER B 212 10.272 5.438 4.556 1.00 15.00 O ATOM 0 H SER B 212 7.549 5.235 3.666 1.00 15.00 H new ATOM 0 HA SER B 212 8.287 5.887 6.462 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.329 7.148 3.904 1.00 15.00 H new ATOM 0 HB3 SER B 212 10.020 7.244 5.511 1.00 15.00 H new ATOM 0 HG SER B 212 11.130 5.712 4.169 1.00 15.00 H new ATOM 702 N ARG B 213 7.129 8.099 4.287 1.00 15.00 N ATOM 703 CA ARG B 213 6.187 9.201 4.116 1.00 15.00 C ATOM 704 C ARG B 213 5.257 8.914 2.942 1.00 15.00 C ATOM 705 O ARG B 213 4.036 8.936 3.078 1.00 15.00 O ATOM 706 CB ARG B 213 6.908 10.539 3.887 1.00 15.00 C ATOM 707 CG ARG B 213 7.466 11.200 5.144 1.00 15.00 C ATOM 708 CD ARG B 213 8.715 10.511 5.670 1.00 15.00 C ATOM 709 NE ARG B 213 9.387 11.324 6.684 1.00 15.00 N ATOM 710 CZ ARG B 213 10.508 10.969 7.311 1.00 15.00 C ATOM 711 NH1 ARG B 213 11.056 9.782 7.085 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 11.077 11.805 8.167 1.00 15.00 N ATOM 0 H ARG B 213 7.722 7.921 3.476 1.00 15.00 H new ATOM 0 HA ARG B 213 5.608 9.284 5.036 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.728 10.377 3.187 1.00 15.00 H new ATOM 0 HB3 ARG B 213 6.214 11.231 3.410 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.696 12.243 4.928 1.00 15.00 H new ATOM 0 HG3 ARG B 213 6.701 11.197 5.920 1.00 15.00 H new ATOM 0 HD2 ARG B 213 8.447 9.544 6.096 1.00 15.00 H new ATOM 0 HD3 ARG B 213 9.400 10.317 4.845 1.00 15.00 H new ATOM 0 HE ARG B 213 8.970 12.222 6.927 1.00 15.00 H new ATOM 0 HH11 ARG B 213 10.619 9.135 6.428 1.00 15.00 H new ATOM 0 HH12 ARG B 213 11.914 9.516 7.568 1.00 15.00 H new ATOM 0 HH21 ARG B 213 10.657 12.717 8.345 1.00 15.00 H new ATOM 0 HH22 ARG B 213 11.935 11.536 8.649 1.00 15.00 H new ATOM 726 N TYR B 214 5.853 8.668 1.784 1.00 15.00 N ATOM 727 CA TYR B 214 5.106 8.342 0.578 1.00 15.00 C ATOM 728 C TYR B 214 5.521 6.962 0.069 1.00 15.00 C ATOM 729 O TYR B 214 6.563 6.443 0.475 1.00 15.00 O ATOM 730 CB TYR B 214 5.340 9.413 -0.498 1.00 15.00 C ATOM 731 CG TYR B 214 4.607 10.711 -0.236 1.00 15.00 C ATOM 732 CD1 TYR B 214 5.074 11.613 0.705 1.00 15.00 C ATOM 733 CD2 TYR B 214 3.446 11.033 -0.933 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.414 12.800 0.951 1.00 15.00 C ATOM 735 CE2 TYR B 214 2.779 12.221 -0.696 1.00 15.00 C ATOM 736 CZ TYR B 214 3.266 13.102 0.249 1.00 15.00 C ATOM 737 OH TYR B 214 2.610 14.291 0.488 1.00 15.00 O ATOM 0 H TYR B 214 6.865 8.689 1.654 1.00 15.00 H new ATOM 0 HA TYR B 214 4.041 8.321 0.811 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.408 9.617 -0.568 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.027 9.018 -1.465 1.00 15.00 H new ATOM 0 HD1 TYR B 214 5.973 11.383 1.258 1.00 15.00 H new ATOM 0 HD2 TYR B 214 3.060 10.344 -1.670 1.00 15.00 H new ATOM 0 HE1 TYR B 214 4.795 13.489 1.690 1.00 15.00 H new ATOM 0 HE2 TYR B 214 1.881 12.459 -1.248 1.00 15.00 H new ATOM 0 HH TYR B 214 1.821 14.351 -0.090 1.00 15.00 H new ATOM 747 N PRO B 215 4.721 6.347 -0.822 1.00 15.00 N ATOM 748 CA PRO B 215 5.003 5.006 -1.344 1.00 15.00 C ATOM 749 C PRO B 215 6.210 4.981 -2.278 1.00 15.00 C ATOM 750 O PRO B 215 6.302 5.771 -3.221 1.00 15.00 O ATOM 751 CB PRO B 215 3.734 4.636 -2.125 1.00 15.00 C ATOM 752 CG PRO B 215 2.718 5.668 -1.769 1.00 15.00 C ATOM 753 CD PRO B 215 3.484 6.897 -1.393 1.00 15.00 C ATOM 0 HA PRO B 215 5.244 4.313 -0.538 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.924 4.629 -3.198 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.387 3.638 -1.857 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.053 5.866 -2.610 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.094 5.330 -0.942 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.684 7.529 -2.258 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.941 7.507 -0.671 1.00 15.00 H new ATOM 761 N MET B 216 7.129 4.062 -2.016 1.00 15.00 N ATOM 762 CA MET B 216 8.317 3.913 -2.840 1.00 15.00 C ATOM 763 C MET B 216 8.671 2.433 -3.001 1.00 15.00 C ATOM 764 O MET B 216 8.978 1.747 -2.024 1.00 15.00 O ATOM 765 CB MET B 216 9.497 4.692 -2.233 1.00 15.00 C ATOM 766 CG MET B 216 9.883 4.251 -0.826 1.00 15.00 C ATOM 767 SD MET B 216 11.258 5.200 -0.145 1.00 15.00 S ATOM 768 CE MET B 216 11.539 4.313 1.387 1.00 15.00 C ATOM 0 H MET B 216 7.073 3.407 -1.236 1.00 15.00 H new ATOM 0 HA MET B 216 8.109 4.326 -3.827 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.363 4.583 -2.886 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.245 5.752 -2.212 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.019 4.351 -0.169 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.150 3.194 -0.842 1.00 15.00 H new ATOM 0 HE1 MET B 216 12.363 4.777 1.930 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.637 4.347 1.998 1.00 15.00 H new ATOM 0 HE3 MET B 216 11.789 3.275 1.166 1.00 15.00 H new ATOM 778 N ASP B 217 8.599 1.933 -4.228 1.00 15.00 N ATOM 779 CA ASP B 217 8.934 0.543 -4.506 1.00 15.00 C ATOM 780 C ASP B 217 10.268 0.456 -5.232 1.00 15.00 C ATOM 781 O ASP B 217 10.303 0.726 -6.448 1.00 15.00 O ATOM 782 CB ASP B 217 7.834 -0.125 -5.337 1.00 15.00 C ATOM 783 CG ASP B 217 8.200 -1.535 -5.762 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.109 -2.461 -4.927 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.573 -1.726 -6.937 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.284 0.139 -4.575 1.00 15.00 O ATOM 0 H ASP B 217 8.312 2.470 -5.046 1.00 15.00 H new ATOM 0 HA ASP B 217 9.016 0.015 -3.556 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.911 -0.152 -4.757 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.636 0.478 -6.223 1.00 15.00 H new