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= 2.24 K(o=3.3,f=-16!) USER MOD Set 1.2: B 211 TYR OH : rot 45:sc= 1.02 USER MOD Set 2.1: A 385 ASN : amide:sc= -5.27! C(o=-10!,f=-19!) USER MOD Set 2.2: A 388 ASN : amide:sc= -4.88! C(o=-10!,f=-21!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ 172:sc= 1.14 (180deg=1.1) USER MOD Single : A 378 LYS NZ :NH3+ 168:sc= 1.66 (180deg=0.836!) USER MOD Single : A 381 THR OG1 : rot 49:sc= 0.295 USER MOD Single : A 382 TYR OH : rot -172:sc= 0.159 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) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 42:sc= 0.452 USER MOD Single : A 392 THR OG1 : rot 180:sc= 0.0847 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 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 -15.984 -3.569 -2.592 1.00 15.00 N ATOM 2 CA PRO A 365 -15.175 -3.081 -1.454 1.00 15.00 C ATOM 3 C PRO A 365 -14.962 -1.576 -1.557 1.00 15.00 C ATOM 4 O PRO A 365 -14.469 -1.078 -2.569 1.00 15.00 O ATOM 5 CB PRO A 365 -13.838 -3.803 -1.448 1.00 15.00 C ATOM 6 CG PRO A 365 -14.029 -4.893 -2.443 1.00 15.00 C ATOM 7 CD PRO A 365 -15.083 -4.405 -3.409 1.00 15.00 C ATOM 0 HA PRO A 365 -15.703 -3.285 -0.523 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -13.022 -3.139 -1.732 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -13.599 -4.198 -0.461 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -13.097 -5.112 -2.963 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -14.346 -5.814 -1.954 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -14.639 -3.831 -4.222 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -15.620 -5.238 -3.863 1.00 15.00 H new ATOM 17 N GLY A 366 -15.335 -0.863 -0.506 1.00 15.00 N ATOM 18 CA GLY A 366 -15.199 0.578 -0.494 1.00 15.00 C ATOM 19 C GLY A 366 -13.769 1.022 -0.273 1.00 15.00 C ATOM 20 O GLY A 366 -12.983 0.318 0.365 1.00 15.00 O ATOM 0 H GLY A 366 -15.733 -1.260 0.345 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.560 0.982 -1.440 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -15.831 0.993 0.291 1.00 15.00 H new ATOM 24 N LEU A 367 -13.426 2.172 -0.824 1.00 15.00 N ATOM 25 CA LEU A 367 -12.111 2.753 -0.615 1.00 15.00 C ATOM 26 C LEU A 367 -12.167 3.679 0.601 1.00 15.00 C ATOM 27 O LEU A 367 -12.918 4.656 0.600 1.00 15.00 O ATOM 28 CB LEU A 367 -11.663 3.525 -1.870 1.00 15.00 C ATOM 29 CG LEU A 367 -10.177 3.933 -1.924 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.782 4.308 -3.343 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.886 5.103 -0.996 1.00 15.00 C ATOM 0 H LEU A 367 -14.041 2.724 -1.421 1.00 15.00 H new ATOM 0 HA LEU A 367 -11.383 1.963 -0.432 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.882 2.913 -2.745 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.269 4.427 -1.952 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.591 3.075 -1.594 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.730 4.594 -3.364 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -9.940 3.454 -4.002 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.392 5.145 -3.681 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.830 5.364 -1.060 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.490 5.961 -1.292 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.130 4.824 0.029 1.00 15.00 H new ATOM 43 N PRO A 368 -11.385 3.394 1.654 1.00 15.00 N ATOM 44 CA PRO A 368 -11.341 4.243 2.833 1.00 15.00 C ATOM 45 C PRO A 368 -10.277 5.334 2.711 1.00 15.00 C ATOM 46 O PRO A 368 -9.187 5.110 2.182 1.00 15.00 O ATOM 47 CB PRO A 368 -10.987 3.263 3.952 1.00 15.00 C ATOM 48 CG PRO A 368 -10.289 2.112 3.294 1.00 15.00 C ATOM 49 CD PRO A 368 -10.532 2.204 1.807 1.00 15.00 C ATOM 0 HA PRO A 368 -12.277 4.776 2.999 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.344 3.736 4.694 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.883 2.928 4.474 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -9.221 2.142 3.508 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.665 1.166 3.683 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.597 2.310 1.256 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -11.025 1.309 1.428 1.00 15.00 H new ATOM 57 N SER A 369 -10.597 6.506 3.237 1.00 15.00 N ATOM 58 CA SER A 369 -9.771 7.688 3.052 1.00 15.00 C ATOM 59 C SER A 369 -8.456 7.569 3.813 1.00 15.00 C ATOM 60 O SER A 369 -8.431 7.292 5.014 1.00 15.00 O ATOM 61 CB SER A 369 -10.547 8.919 3.515 1.00 15.00 C ATOM 62 OG SER A 369 -11.804 8.989 2.861 1.00 15.00 O ATOM 0 H SER A 369 -11.432 6.664 3.801 1.00 15.00 H new ATOM 0 HA SER A 369 -9.528 7.785 1.994 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.694 8.879 4.594 1.00 15.00 H new ATOM 0 HB3 SER A 369 -9.970 9.820 3.305 1.00 15.00 H new ATOM 0 HG SER A 369 -12.290 9.782 3.170 1.00 15.00 H new ATOM 68 N GLY A 370 -7.363 7.778 3.094 1.00 15.00 N ATOM 69 CA GLY A 370 -6.049 7.626 3.674 1.00 15.00 C ATOM 70 C GLY A 370 -5.321 6.448 3.070 1.00 15.00 C ATOM 71 O GLY A 370 -4.099 6.321 3.197 1.00 15.00 O ATOM 0 H GLY A 370 -7.366 8.052 2.112 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.470 8.536 3.515 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.137 7.489 4.752 1.00 15.00 H new ATOM 75 N TRP A 371 -6.083 5.565 2.438 1.00 15.00 N ATOM 76 CA TRP A 371 -5.524 4.420 1.735 1.00 15.00 C ATOM 77 C TRP A 371 -5.285 4.778 0.278 1.00 15.00 C ATOM 78 O TRP A 371 -6.223 5.128 -0.439 1.00 15.00 O ATOM 79 CB TRP A 371 -6.480 3.222 1.798 1.00 15.00 C ATOM 80 CG TRP A 371 -6.600 2.577 3.148 1.00 15.00 C ATOM 81 CD1 TRP A 371 -7.320 3.025 4.220 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.996 1.346 3.557 1.00 15.00 C ATOM 83 NE1 TRP A 371 -7.208 2.140 5.266 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.397 1.103 4.885 1.00 15.00 C ATOM 85 CE3 TRP A 371 -5.154 0.425 2.927 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.984 -0.024 5.593 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.745 -0.692 3.629 1.00 15.00 C ATOM 88 CH2 TRP A 371 -5.160 -0.909 4.950 1.00 15.00 C ATOM 0 H TRP A 371 -7.101 5.622 2.399 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.583 4.153 2.216 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.470 3.549 1.479 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -6.146 2.471 1.082 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.893 3.940 4.242 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.656 2.239 6.177 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.829 0.584 1.909 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -6.302 -0.193 6.611 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -4.095 -1.410 3.152 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.823 -1.793 5.472 1.00 15.00 H new ATOM 99 N GLU A 372 -4.043 4.709 -0.164 1.00 15.00 N ATOM 100 CA GLU A 372 -3.746 4.924 -1.567 1.00 15.00 C ATOM 101 C GLU A 372 -3.422 3.599 -2.240 1.00 15.00 C ATOM 102 O GLU A 372 -2.425 2.948 -1.922 1.00 15.00 O ATOM 103 CB GLU A 372 -2.607 5.924 -1.753 1.00 15.00 C ATOM 104 CG GLU A 372 -2.976 7.354 -1.410 1.00 15.00 C ATOM 105 CD GLU A 372 -1.878 8.325 -1.777 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.692 8.577 -2.984 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -1.194 8.833 -0.865 1.00 15.00 O ATOM 0 H GLU A 372 -3.232 4.508 0.421 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.630 5.351 -2.040 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.765 5.619 -1.132 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.270 5.886 -2.789 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.892 7.628 -1.934 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.184 7.429 -0.343 1.00 15.00 H new ATOM 114 N GLU A 373 -4.292 3.199 -3.154 1.00 15.00 N ATOM 115 CA GLU A 373 -4.166 1.924 -3.843 1.00 15.00 C ATOM 116 C GLU A 373 -3.388 2.127 -5.125 1.00 15.00 C ATOM 117 O GLU A 373 -3.949 2.539 -6.142 1.00 15.00 O ATOM 118 CB GLU A 373 -5.547 1.384 -4.173 1.00 15.00 C ATOM 119 CG GLU A 373 -6.589 1.821 -3.169 1.00 15.00 C ATOM 120 CD GLU A 373 -7.994 1.479 -3.606 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.247 1.435 -4.827 1.00 15.00 O ATOM 122 OE2 GLU A 373 -8.853 1.245 -2.736 1.00 15.00 O1- ATOM 0 H GLU A 373 -5.104 3.747 -3.439 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.644 1.214 -3.202 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.839 1.723 -5.167 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.511 0.295 -4.205 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.385 1.347 -2.209 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.512 2.897 -3.015 1.00 15.00 H new ATOM 129 N ARG A 374 -2.101 1.877 -5.078 1.00 15.00 N ATOM 130 CA ARG A 374 -1.240 2.272 -6.167 1.00 15.00 C ATOM 131 C ARG A 374 -0.426 1.093 -6.681 1.00 15.00 C ATOM 132 O ARG A 374 0.293 0.427 -5.932 1.00 15.00 O ATOM 133 CB ARG A 374 -0.369 3.438 -5.706 1.00 15.00 C ATOM 134 CG ARG A 374 -1.214 4.637 -5.274 1.00 15.00 C ATOM 135 CD ARG A 374 -0.376 5.741 -4.647 1.00 15.00 C ATOM 136 NE ARG A 374 0.541 6.352 -5.608 1.00 15.00 N ATOM 137 CZ ARG A 374 0.931 7.625 -5.567 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.443 8.458 -4.654 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 1.802 8.075 -6.459 1.00 15.00 N ATOM 0 H ARG A 374 -1.630 1.406 -4.305 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.839 2.607 -7.014 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.259 3.117 -4.875 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.299 3.736 -6.514 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.745 5.034 -6.139 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.969 4.308 -4.560 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -1.035 6.507 -4.238 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.194 5.333 -3.813 1.00 15.00 H new ATOM 0 HE ARG A 374 0.906 5.765 -6.359 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.239 8.125 -3.973 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.751 9.430 -4.634 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.171 7.447 -7.173 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.103 9.049 -6.431 1.00 15.00 H new ATOM 153 N LYS A 375 -0.574 0.844 -7.972 1.00 15.00 N ATOM 154 CA LYS A 375 0.020 -0.313 -8.618 1.00 15.00 C ATOM 155 C LYS A 375 1.220 0.126 -9.443 1.00 15.00 C ATOM 156 O LYS A 375 1.104 0.987 -10.316 1.00 15.00 O ATOM 157 CB LYS A 375 -1.000 -1.019 -9.531 1.00 15.00 C ATOM 158 CG LYS A 375 -2.348 -1.314 -8.878 1.00 15.00 C ATOM 159 CD LYS A 375 -3.220 -0.069 -8.802 1.00 15.00 C ATOM 160 CE LYS A 375 -4.543 -0.341 -8.108 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.356 0.894 -7.980 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.111 1.440 -8.602 1.00 15.00 H new ATOM 0 HA LYS A 375 0.336 -1.014 -7.846 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.167 -0.400 -10.412 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.567 -1.957 -9.878 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.866 -2.087 -9.445 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.188 -1.708 -7.874 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.685 0.716 -8.267 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.409 0.303 -9.809 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.102 -1.089 -8.670 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.357 -0.759 -7.119 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.303 0.651 -7.627 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.895 1.546 -7.314 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -5.440 1.352 -8.910 1.00 15.00 H new ATOM 175 N ASP A 376 2.365 -0.465 -9.169 1.00 15.00 N ATOM 176 CA ASP A 376 3.594 -0.096 -9.858 1.00 15.00 C ATOM 177 C ASP A 376 3.773 -0.946 -11.115 1.00 15.00 C ATOM 178 O ASP A 376 3.368 -2.107 -11.142 1.00 15.00 O ATOM 179 CB ASP A 376 4.786 -0.269 -8.924 1.00 15.00 C ATOM 180 CG ASP A 376 5.925 0.665 -9.271 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.339 0.697 -10.446 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.416 1.364 -8.366 1.00 15.00 O ATOM 0 H ASP A 376 2.475 -1.204 -8.474 1.00 15.00 H new ATOM 0 HA ASP A 376 3.531 0.950 -10.156 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.470 -0.087 -7.897 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.136 -1.300 -8.972 1.00 15.00 H new ATOM 187 N ALA A 377 4.428 -0.372 -12.125 1.00 15.00 N ATOM 188 CA ALA A 377 4.533 -0.974 -13.458 1.00 15.00 C ATOM 189 C ALA A 377 5.220 -2.345 -13.455 1.00 15.00 C ATOM 190 O ALA A 377 4.995 -3.151 -14.354 1.00 15.00 O ATOM 191 CB ALA A 377 5.264 -0.028 -14.397 1.00 15.00 C ATOM 0 H ALA A 377 4.903 0.527 -12.043 1.00 15.00 H new ATOM 0 HA ALA A 377 3.514 -1.139 -13.807 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.338 -0.482 -15.385 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.714 0.910 -14.469 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.265 0.167 -14.011 1.00 15.00 H new ATOM 197 N LYS A 378 6.051 -2.612 -12.448 1.00 15.00 N ATOM 198 CA LYS A 378 6.708 -3.921 -12.335 1.00 15.00 C ATOM 199 C LYS A 378 5.684 -4.993 -11.991 1.00 15.00 C ATOM 200 O LYS A 378 5.956 -6.191 -12.085 1.00 15.00 O ATOM 201 CB LYS A 378 7.802 -3.945 -11.262 1.00 15.00 C ATOM 202 CG LYS A 378 8.701 -2.728 -11.225 1.00 15.00 C ATOM 203 CD LYS A 378 8.154 -1.697 -10.262 1.00 15.00 C ATOM 204 CE LYS A 378 9.269 -0.850 -9.666 1.00 15.00 C ATOM 205 NZ LYS A 378 8.802 -0.037 -8.512 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.285 -1.952 -11.706 1.00 15.00 H new ATOM 0 HA LYS A 378 7.171 -4.116 -13.302 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.328 -4.056 -10.287 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.421 -4.829 -11.418 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.707 -3.020 -10.922 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.781 -2.297 -12.223 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.443 -1.053 -10.780 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.607 -2.197 -9.462 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.084 -1.499 -9.345 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.671 -0.190 -10.434 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.623 0.363 -8.014 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.195 0.735 -8.854 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 8.261 -0.639 -7.859 1.00 15.00 H new ATOM 219 N GLY A 379 4.518 -4.539 -11.573 1.00 15.00 N ATOM 220 CA GLY A 379 3.524 -5.417 -11.013 1.00 15.00 C ATOM 221 C GLY A 379 3.675 -5.533 -9.518 1.00 15.00 C ATOM 222 O GLY A 379 3.741 -6.627 -8.959 1.00 15.00 O ATOM 0 H GLY A 379 4.240 -3.558 -11.614 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.529 -5.042 -11.252 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.611 -6.404 -11.467 1.00 15.00 H new ATOM 226 N ARG A 380 3.745 -4.379 -8.880 1.00 15.00 N ATOM 227 CA ARG A 380 3.818 -4.289 -7.434 1.00 15.00 C ATOM 228 C ARG A 380 2.588 -3.546 -6.928 1.00 15.00 C ATOM 229 O ARG A 380 2.496 -2.326 -7.061 1.00 15.00 O ATOM 230 CB ARG A 380 5.098 -3.558 -7.014 1.00 15.00 C ATOM 231 CG ARG A 380 6.374 -4.237 -7.493 1.00 15.00 C ATOM 232 CD ARG A 380 6.801 -5.361 -6.561 1.00 15.00 C ATOM 233 NE ARG A 380 7.325 -4.841 -5.300 1.00 15.00 N ATOM 234 CZ ARG A 380 7.723 -5.596 -4.278 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.654 -6.922 -4.347 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.202 -5.010 -3.188 1.00 15.00 N ATOM 0 H ARG A 380 3.753 -3.475 -9.352 1.00 15.00 H new ATOM 0 HA ARG A 380 3.843 -5.289 -7.001 1.00 15.00 H new ATOM 0 HB2 ARG A 380 5.070 -2.540 -7.404 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.123 -3.482 -5.927 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.219 -4.636 -8.496 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.174 -3.500 -7.563 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.950 -6.013 -6.362 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.562 -5.970 -7.049 1.00 15.00 H new ATOM 0 HE ARG A 380 7.390 -3.829 -5.195 1.00 15.00 H new ATOM 0 HH11 ARG A 380 7.293 -7.371 -5.189 1.00 15.00 H new ATOM 0 HH12 ARG A 380 7.962 -7.490 -3.558 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.262 -3.993 -3.140 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.510 -5.577 -2.398 1.00 15.00 H new ATOM 250 N THR A 381 1.620 -4.286 -6.413 1.00 15.00 N ATOM 251 CA THR A 381 0.366 -3.698 -5.975 1.00 15.00 C ATOM 252 C THR A 381 0.363 -3.471 -4.472 1.00 15.00 C ATOM 253 O THR A 381 -0.028 -4.348 -3.704 1.00 15.00 O ATOM 254 CB THR A 381 -0.820 -4.601 -6.365 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.554 -5.952 -5.966 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.064 -4.554 -7.865 1.00 15.00 C ATOM 0 H THR A 381 1.679 -5.297 -6.288 1.00 15.00 H new ATOM 0 HA THR A 381 0.261 -2.734 -6.472 1.00 15.00 H new ATOM 0 HB THR A 381 -1.711 -4.236 -5.855 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.248 -5.964 -5.035 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.906 -5.199 -8.117 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.288 -3.530 -8.165 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.173 -4.899 -8.390 1.00 15.00 H new ATOM 264 N TYR A 382 0.811 -2.300 -4.051 1.00 15.00 N ATOM 265 CA TYR A 382 0.910 -2.006 -2.634 1.00 15.00 C ATOM 266 C TYR A 382 -0.174 -1.031 -2.188 1.00 15.00 C ATOM 267 O TYR A 382 -0.315 0.066 -2.733 1.00 15.00 O ATOM 268 CB TYR A 382 2.309 -1.474 -2.280 1.00 15.00 C ATOM 269 CG TYR A 382 2.903 -0.493 -3.277 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.536 0.848 -3.278 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.848 -0.914 -4.206 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.090 1.739 -4.180 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.408 -0.028 -5.106 1.00 15.00 C ATOM 274 CZ TYR A 382 4.027 1.296 -5.090 1.00 15.00 C ATOM 275 OH TYR A 382 4.586 2.183 -5.984 1.00 15.00 O ATOM 0 H TYR A 382 1.110 -1.543 -4.666 1.00 15.00 H new ATOM 0 HA TYR A 382 0.755 -2.939 -2.093 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.259 -0.990 -1.305 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.987 -2.321 -2.181 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.807 1.200 -2.563 1.00 15.00 H new ATOM 0 HD2 TYR A 382 4.149 -1.951 -4.224 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.790 2.777 -4.172 1.00 15.00 H new ATOM 0 HE2 TYR A 382 5.142 -0.372 -5.820 1.00 15.00 H new ATOM 0 HH TYR A 382 5.134 1.693 -6.632 1.00 15.00 H new ATOM 285 N TYR A 383 -0.950 -1.453 -1.202 1.00 15.00 N ATOM 286 CA TYR A 383 -1.924 -0.579 -0.572 1.00 15.00 C ATOM 287 C TYR A 383 -1.254 0.125 0.598 1.00 15.00 C ATOM 288 O TYR A 383 -0.995 -0.493 1.631 1.00 15.00 O ATOM 289 CB TYR A 383 -3.140 -1.366 -0.061 1.00 15.00 C ATOM 290 CG TYR A 383 -3.889 -2.144 -1.123 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.388 -3.342 -1.617 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.107 -1.692 -1.615 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.074 -4.062 -2.575 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.803 -2.410 -2.570 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.281 -3.594 -3.046 1.00 15.00 C ATOM 296 OH TYR A 383 -5.968 -4.313 -3.996 1.00 15.00 O ATOM 0 H TYR A 383 -0.923 -2.399 -0.821 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.277 0.141 -1.310 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.807 -2.061 0.710 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.831 -0.670 0.414 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.446 -3.717 -1.245 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.517 -0.764 -1.245 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.666 -4.988 -2.953 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.750 -2.046 -2.941 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.801 -3.847 -4.220 1.00 15.00 H new ATOM 306 N VAL A 384 -0.918 1.391 0.419 1.00 15.00 N ATOM 307 CA VAL A 384 -0.240 2.140 1.463 1.00 15.00 C ATOM 308 C VAL A 384 -1.211 3.064 2.188 1.00 15.00 C ATOM 309 O VAL A 384 -1.789 3.978 1.597 1.00 15.00 O ATOM 310 CB VAL A 384 0.969 2.941 0.917 1.00 15.00 C ATOM 311 CG1 VAL A 384 2.152 2.025 0.654 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.622 3.694 -0.351 1.00 15.00 C ATOM 0 H VAL A 384 -1.102 1.919 -0.434 1.00 15.00 H new ATOM 0 HA VAL A 384 0.148 1.412 2.176 1.00 15.00 H new ATOM 0 HB VAL A 384 1.238 3.667 1.684 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.988 2.611 0.271 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.447 1.536 1.582 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.872 1.270 -0.081 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.497 4.242 -0.700 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.306 2.988 -1.119 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.188 4.395 -0.148 1.00 15.00 H new ATOM 322 N ASN A 385 -1.410 2.799 3.472 1.00 15.00 N ATOM 323 CA ASN A 385 -2.335 3.584 4.272 1.00 15.00 C ATOM 324 C ASN A 385 -1.594 4.563 5.163 1.00 15.00 C ATOM 325 O ASN A 385 -0.764 4.167 5.988 1.00 15.00 O ATOM 326 CB ASN A 385 -3.207 2.686 5.144 1.00 15.00 C ATOM 327 CG ASN A 385 -4.242 3.478 5.928 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.556 3.161 7.068 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.796 4.509 5.317 1.00 15.00 N ATOM 0 H ASN A 385 -0.943 2.047 3.980 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.967 4.136 3.577 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.712 1.952 4.516 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.575 2.131 5.837 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.505 5.064 5.795 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -4.515 4.750 4.367 1.00 15.00 H new ATOM 336 N HIS A 386 -1.925 5.839 5.010 1.00 15.00 N ATOM 337 CA HIS A 386 -1.337 6.891 5.829 1.00 15.00 C ATOM 338 C HIS A 386 -2.046 6.968 7.178 1.00 15.00 C ATOM 339 O HIS A 386 -1.553 7.596 8.111 1.00 15.00 O ATOM 340 CB HIS A 386 -1.438 8.257 5.133 1.00 15.00 C ATOM 341 CG HIS A 386 -0.859 8.300 3.752 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.491 8.379 3.497 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.465 8.290 2.543 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.690 8.419 2.191 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.483 8.367 1.591 1.00 15.00 N ATOM 0 H HIS A 386 -2.601 6.171 4.322 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.285 6.646 5.977 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.488 8.547 5.081 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -0.932 9.001 5.748 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.528 8.232 2.361 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.649 8.483 1.699 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.635 8.382 0.582 1.00 15.00 H new ATOM 354 N ASN A 387 -3.213 6.332 7.269 1.00 15.00 N ATOM 355 CA ASN A 387 -4.046 6.428 8.466 1.00 15.00 C ATOM 356 C ASN A 387 -3.521 5.525 9.584 1.00 15.00 C ATOM 357 O ASN A 387 -3.665 5.843 10.764 1.00 15.00 O ATOM 358 CB ASN A 387 -5.508 6.097 8.142 1.00 15.00 C ATOM 359 CG ASN A 387 -6.431 6.279 9.333 1.00 15.00 C ATOM 360 OD1 ASN A 387 -6.862 7.391 9.631 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.775 5.186 9.993 1.00 15.00 N ATOM 0 H ASN A 387 -3.602 5.746 6.530 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.999 7.458 8.820 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -5.847 6.734 7.325 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.573 5.067 7.792 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.420 5.248 10.781 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.395 4.281 9.714 1.00 15.00 H new ATOM 368 N ASN A 388 -2.942 4.389 9.213 1.00 15.00 N ATOM 369 CA ASN A 388 -2.302 3.501 10.186 1.00 15.00 C ATOM 370 C ASN A 388 -0.785 3.490 10.016 1.00 15.00 C ATOM 371 O ASN A 388 -0.070 2.979 10.881 1.00 15.00 O ATOM 372 CB ASN A 388 -2.856 2.069 10.114 1.00 15.00 C ATOM 373 CG ASN A 388 -2.826 1.477 8.720 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.988 1.833 7.893 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.743 0.559 8.449 1.00 15.00 N ATOM 0 H ASN A 388 -2.901 4.059 8.249 1.00 15.00 H new ATOM 0 HA ASN A 388 -2.538 3.900 11.173 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -2.279 1.431 10.783 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.883 2.067 10.479 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.770 0.122 7.528 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -4.421 0.290 9.162 1.00 15.00 H new ATOM 382 N ARG A 389 -0.313 4.009 8.872 1.00 15.00 N ATOM 383 CA ARG A 389 1.121 4.110 8.561 1.00 15.00 C ATOM 384 C ARG A 389 1.697 2.758 8.160 1.00 15.00 C ATOM 385 O ARG A 389 2.894 2.507 8.318 1.00 15.00 O ATOM 386 CB ARG A 389 1.910 4.685 9.743 1.00 15.00 C ATOM 387 CG ARG A 389 1.536 6.113 10.100 1.00 15.00 C ATOM 388 CD ARG A 389 2.344 6.616 11.285 1.00 15.00 C ATOM 389 NE ARG A 389 2.190 5.755 12.459 1.00 15.00 N ATOM 390 CZ ARG A 389 2.767 5.985 13.635 1.00 15.00 C ATOM 391 NH1 ARG A 389 3.575 7.025 13.790 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 2.558 5.154 14.649 1.00 15.00 N ATOM 0 H ARG A 389 -0.917 4.371 8.134 1.00 15.00 H new ATOM 0 HA ARG A 389 1.218 4.792 7.717 1.00 15.00 H new ATOM 0 HB2 ARG A 389 1.752 4.050 10.615 1.00 15.00 H new ATOM 0 HB3 ARG A 389 2.974 4.647 9.509 1.00 15.00 H new ATOM 0 HG2 ARG A 389 1.705 6.761 9.240 1.00 15.00 H new ATOM 0 HG3 ARG A 389 0.473 6.165 10.334 1.00 15.00 H new ATOM 0 HD2 ARG A 389 3.397 6.668 11.010 1.00 15.00 H new ATOM 0 HD3 ARG A 389 2.029 7.629 11.535 1.00 15.00 H new ATOM 0 HE ARG A 389 1.603 4.926 12.369 1.00 15.00 H new ATOM 0 HH11 ARG A 389 3.756 7.652 13.006 1.00 15.00 H new ATOM 0 HH12 ARG A 389 4.016 7.198 14.693 1.00 15.00 H new ATOM 0 HH21 ARG A 389 1.956 4.340 14.526 1.00 15.00 H new ATOM 0 HH22 ARG A 389 3.000 5.329 15.551 1.00 15.00 H new ATOM 406 N THR A 390 0.865 1.911 7.579 1.00 15.00 N ATOM 407 CA THR A 390 1.312 0.588 7.178 1.00 15.00 C ATOM 408 C THR A 390 0.750 0.222 5.810 1.00 15.00 C ATOM 409 O THR A 390 -0.316 0.696 5.408 1.00 15.00 O ATOM 410 CB THR A 390 0.947 -0.498 8.222 1.00 15.00 C ATOM 411 OG1 THR A 390 1.762 -1.663 8.022 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.518 -0.902 8.136 1.00 15.00 C ATOM 0 H THR A 390 -0.114 2.112 7.376 1.00 15.00 H new ATOM 0 HA THR A 390 2.400 0.624 7.116 1.00 15.00 H new ATOM 0 HB THR A 390 1.128 -0.071 9.208 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.527 -2.344 8.686 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.730 -1.665 8.885 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.147 -0.031 8.318 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.728 -1.300 7.143 1.00 15.00 H new ATOM 420 N THR A 391 1.497 -0.587 5.081 1.00 15.00 N ATOM 421 CA THR A 391 1.090 -1.022 3.764 1.00 15.00 C ATOM 422 C THR A 391 0.909 -2.539 3.731 1.00 15.00 C ATOM 423 O THR A 391 1.573 -3.269 4.469 1.00 15.00 O ATOM 424 CB THR A 391 2.109 -0.561 2.698 1.00 15.00 C ATOM 425 OG1 THR A 391 1.836 -1.175 1.432 1.00 15.00 O ATOM 426 CG2 THR A 391 3.536 -0.862 3.132 1.00 15.00 C ATOM 0 H THR A 391 2.397 -0.957 5.386 1.00 15.00 H new ATOM 0 HA THR A 391 0.129 -0.563 3.531 1.00 15.00 H new ATOM 0 HB THR A 391 2.006 0.519 2.591 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.869 -1.176 1.271 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.229 -0.526 2.361 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.750 -0.341 4.065 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.652 -1.935 3.281 1.00 15.00 H new ATOM 434 N THR A 392 -0.013 -3.001 2.898 1.00 15.00 N ATOM 435 CA THR A 392 -0.347 -4.415 2.823 1.00 15.00 C ATOM 436 C THR A 392 -0.634 -4.820 1.377 1.00 15.00 C ATOM 437 O THR A 392 -1.064 -3.990 0.570 1.00 15.00 O ATOM 438 CB THR A 392 -1.567 -4.744 3.719 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.902 -6.136 3.639 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.780 -3.908 3.328 1.00 15.00 C ATOM 0 H THR A 392 -0.547 -2.411 2.260 1.00 15.00 H new ATOM 0 HA THR A 392 0.510 -4.983 3.186 1.00 15.00 H new ATOM 0 HB THR A 392 -1.288 -4.502 4.745 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.674 -6.320 4.214 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.620 -4.161 3.975 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.543 -2.850 3.438 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.045 -4.114 2.291 1.00 15.00 H new ATOM 448 N TRP A 393 -0.353 -6.077 1.044 1.00 15.00 N ATOM 449 CA TRP A 393 -0.650 -6.597 -0.286 1.00 15.00 C ATOM 450 C TRP A 393 -2.135 -6.916 -0.415 1.00 15.00 C ATOM 451 O TRP A 393 -2.683 -6.953 -1.515 1.00 15.00 O ATOM 452 CB TRP A 393 0.140 -7.878 -0.575 1.00 15.00 C ATOM 453 CG TRP A 393 1.627 -7.719 -0.558 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.499 -8.313 0.307 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.419 -6.927 -1.448 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.783 -7.943 0.004 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.759 -7.087 -1.062 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.126 -6.097 -2.532 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.805 -6.450 -1.716 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.166 -5.464 -3.185 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.492 -5.642 -2.773 1.00 15.00 C ATOM 0 H TRP A 393 0.079 -6.752 1.675 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.364 -5.826 -1.001 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.138 -8.633 0.161 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.159 -8.259 -1.552 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.219 -8.977 1.112 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.621 -8.256 0.494 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.105 -5.953 -2.854 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.829 -6.588 -1.401 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.953 -4.822 -4.027 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.283 -5.131 -3.301 1.00 15.00 H new ATOM 472 N THR A 394 -2.771 -7.165 0.718 1.00 15.00 N ATOM 473 CA THR A 394 -4.139 -7.650 0.740 1.00 15.00 C ATOM 474 C THR A 394 -5.143 -6.499 0.680 1.00 15.00 C ATOM 475 O THR A 394 -4.896 -5.412 1.205 1.00 15.00 O ATOM 476 CB THR A 394 -4.378 -8.503 1.999 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.346 -9.497 2.102 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.734 -9.191 1.952 1.00 15.00 C ATOM 0 H THR A 394 -2.356 -7.038 1.641 1.00 15.00 H new ATOM 0 HA THR A 394 -4.290 -8.268 -0.145 1.00 15.00 H new ATOM 0 HB THR A 394 -4.358 -7.844 2.867 1.00 15.00 H new ATOM 0 HG1 THR A 394 -3.494 -10.041 2.904 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.872 -9.785 2.855 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.521 -8.440 1.888 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.782 -9.842 1.079 1.00 15.00 H new ATOM 486 N ARG A 395 -6.272 -6.750 0.023 1.00 15.00 N ATOM 487 CA ARG A 395 -7.317 -5.749 -0.136 1.00 15.00 C ATOM 488 C ARG A 395 -8.021 -5.460 1.193 1.00 15.00 C ATOM 489 O ARG A 395 -8.588 -6.361 1.818 1.00 15.00 O ATOM 490 CB ARG A 395 -8.343 -6.222 -1.176 1.00 15.00 C ATOM 491 CG ARG A 395 -9.520 -5.274 -1.337 1.00 15.00 C ATOM 492 CD ARG A 395 -9.063 -3.911 -1.818 1.00 15.00 C ATOM 493 NE ARG A 395 -9.870 -2.830 -1.260 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.849 -1.587 -1.725 1.00 15.00 C ATOM 495 NH1 ARG A 395 -9.175 -1.306 -2.830 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.520 -0.624 -1.105 1.00 15.00 N ATOM 0 H ARG A 395 -6.485 -7.648 -0.411 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.848 -4.827 -0.479 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.846 -6.339 -2.139 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.715 -7.205 -0.888 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.233 -5.693 -2.047 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -10.041 -5.171 -0.385 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -8.019 -3.762 -1.543 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.114 -3.876 -2.906 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.482 -3.041 -0.472 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.673 -2.044 -3.323 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -9.158 -0.351 -3.188 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -11.057 -0.837 -0.264 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.498 0.329 -1.469 1.00 15.00 H new ATOM 510 N PRO A 396 -7.978 -4.198 1.643 1.00 15.00 N ATOM 511 CA PRO A 396 -8.730 -3.749 2.815 1.00 15.00 C ATOM 512 C PRO A 396 -10.218 -3.579 2.508 1.00 15.00 C ATOM 513 O PRO A 396 -10.594 -2.999 1.483 1.00 15.00 O ATOM 514 CB PRO A 396 -8.095 -2.399 3.143 1.00 15.00 C ATOM 515 CG PRO A 396 -7.591 -1.894 1.839 1.00 15.00 C ATOM 516 CD PRO A 396 -7.169 -3.109 1.058 1.00 15.00 C ATOM 0 HA PRO A 396 -8.685 -4.466 3.635 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.823 -1.714 3.579 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.286 -2.507 3.866 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -8.366 -1.340 1.310 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.753 -1.212 1.982 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.368 -2.990 -0.007 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -6.101 -3.302 1.163 1.00 15.00 H new ATOM 524 N ILE A 397 -11.054 -4.112 3.382 1.00 15.00 N ATOM 525 CA ILE A 397 -12.492 -3.966 3.245 1.00 15.00 C ATOM 526 C ILE A 397 -12.973 -2.713 3.972 1.00 15.00 C ATOM 527 O ILE A 397 -13.702 -1.897 3.405 1.00 15.00 O ATOM 528 CB ILE A 397 -13.239 -5.202 3.792 1.00 15.00 C ATOM 529 CG1 ILE A 397 -12.782 -6.465 3.056 1.00 15.00 C ATOM 530 CG2 ILE A 397 -14.746 -5.020 3.655 1.00 15.00 C ATOM 531 CD1 ILE A 397 -13.411 -7.739 3.575 1.00 15.00 C ATOM 0 H ILE A 397 -10.760 -4.651 4.196 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.712 -3.874 2.181 1.00 15.00 H new ATOM 0 HB ILE A 397 -13.002 -5.311 4.850 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -13.017 -6.361 1.997 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -11.698 -6.548 3.136 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -15.256 -5.901 4.046 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -15.059 -4.140 4.218 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -15.003 -4.889 2.604 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -13.037 -8.588 3.003 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -13.155 -7.869 4.627 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.494 -7.679 3.470 1.00 15.00 H new ATOM 543 N GLY A 398 -12.561 -2.573 5.226 1.00 15.00 N ATOM 544 CA GLY A 398 -12.969 -1.433 6.025 1.00 15.00 C ATOM 545 C GLY A 398 -12.013 -0.266 5.901 1.00 15.00 C ATOM 546 O GLY A 398 -10.805 -0.506 5.697 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.467 0.894 6.013 1.00 15.00 O ATOM 0 H GLY A 398 -11.948 -3.232 5.706 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -13.966 -1.116 5.718 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -13.038 -1.732 7.071 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.343 -12.318 -4.106 1.00 15.00 N ATOM 553 CA GLU B 203 0.830 -11.561 -4.601 1.00 15.00 C ATOM 554 C GLU B 203 2.090 -12.407 -4.471 1.00 15.00 C ATOM 555 O GLU B 203 2.931 -12.412 -5.367 1.00 15.00 O ATOM 556 CB GLU B 203 1.036 -10.242 -3.829 1.00 15.00 C ATOM 557 CG GLU B 203 -0.151 -9.285 -3.847 1.00 15.00 C ATOM 558 CD GLU B 203 -1.373 -9.844 -3.153 1.00 15.00 C ATOM 559 OE1 GLU B 203 -1.242 -10.314 -2.005 1.00 15.00 O ATOM 560 OE2 GLU B 203 -2.457 -9.850 -3.766 1.00 15.00 O1- ATOM 0 HA GLU B 203 0.638 -11.321 -5.647 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.274 -10.480 -2.792 1.00 15.00 H new ATOM 0 HB3 GLU B 203 1.903 -9.728 -4.245 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.136 -8.350 -3.367 1.00 15.00 H new ATOM 0 HG3 GLU B 203 -0.404 -9.048 -4.880 1.00 15.00 H new ATOM 569 N LEU B 204 2.224 -13.100 -3.331 1.00 15.00 N ATOM 570 CA LEU B 204 3.393 -13.945 -3.055 1.00 15.00 C ATOM 571 C LEU B 204 4.667 -13.105 -3.001 1.00 15.00 C ATOM 572 O LEU B 204 5.778 -13.624 -3.103 1.00 15.00 O ATOM 573 CB LEU B 204 3.531 -15.049 -4.112 1.00 15.00 C ATOM 574 CG LEU B 204 2.383 -16.060 -4.152 1.00 15.00 C ATOM 575 CD1 LEU B 204 2.628 -17.094 -5.239 1.00 15.00 C ATOM 576 CD2 LEU B 204 2.214 -16.734 -2.796 1.00 15.00 C ATOM 0 H LEU B 204 1.532 -13.091 -2.582 1.00 15.00 H new ATOM 0 HA LEU B 204 3.245 -14.414 -2.082 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.617 -14.582 -5.093 1.00 15.00 H new ATOM 0 HB3 LEU B 204 4.462 -15.587 -3.933 1.00 15.00 H new ATOM 0 HG LEU B 204 1.460 -15.528 -4.384 1.00 15.00 H new ATOM 0 HD11 LEU B 204 1.803 -17.807 -5.256 1.00 15.00 H new ATOM 0 HD12 LEU B 204 2.697 -16.596 -6.206 1.00 15.00 H new ATOM 0 HD13 LEU B 204 3.560 -17.622 -5.036 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.393 -17.449 -2.845 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.134 -17.255 -2.532 1.00 15.00 H new ATOM 0 HD23 LEU B 204 1.994 -15.980 -2.040 1.00 15.00 H new ATOM 588 N GLU B 205 4.484 -11.812 -2.790 1.00 15.00 N ATOM 589 CA GLU B 205 5.581 -10.860 -2.762 1.00 15.00 C ATOM 590 C GLU B 205 6.139 -10.725 -1.351 1.00 15.00 C ATOM 591 O GLU B 205 5.409 -10.894 -0.371 1.00 15.00 O ATOM 592 CB GLU B 205 5.079 -9.492 -3.225 1.00 15.00 C ATOM 593 CG GLU B 205 4.597 -9.458 -4.662 1.00 15.00 C ATOM 594 CD GLU B 205 5.731 -9.545 -5.659 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.903 -9.493 -5.237 1.00 15.00 O ATOM 596 OE2 GLU B 205 5.456 -9.647 -6.871 1.00 15.00 O1- ATOM 0 H GLU B 205 3.568 -11.392 -2.633 1.00 15.00 H new ATOM 0 HA GLU B 205 6.368 -11.220 -3.425 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.264 -9.177 -2.573 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.882 -8.764 -3.106 1.00 15.00 H new ATOM 0 HG2 GLU B 205 3.907 -10.285 -4.829 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.039 -8.538 -4.832 1.00 15.00 H new ATOM 603 N SER B 206 7.423 -10.407 -1.254 1.00 15.00 N ATOM 604 CA SER B 206 8.018 -10.028 0.017 1.00 15.00 C ATOM 605 C SER B 206 7.325 -8.768 0.532 1.00 15.00 C ATOM 606 O SER B 206 6.822 -7.980 -0.264 1.00 15.00 O ATOM 607 CB SER B 206 9.517 -9.782 -0.164 1.00 15.00 C ATOM 608 OG SER B 206 10.180 -10.962 -0.590 1.00 15.00 O ATOM 0 H SER B 206 8.071 -10.404 -2.041 1.00 15.00 H new ATOM 0 HA SER B 206 7.889 -10.831 0.743 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.673 -8.989 -0.896 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.948 -9.438 0.776 1.00 15.00 H new ATOM 0 HG SER B 206 11.136 -10.778 -0.700 1.00 15.00 H new ATOM 614 N PRO B 207 7.316 -8.545 1.857 1.00 15.00 N ATOM 615 CA PRO B 207 6.564 -7.443 2.484 1.00 15.00 C ATOM 616 C PRO B 207 6.796 -6.094 1.803 1.00 15.00 C ATOM 617 O PRO B 207 7.930 -5.765 1.442 1.00 15.00 O ATOM 618 CB PRO B 207 7.123 -7.421 3.905 1.00 15.00 C ATOM 619 CG PRO B 207 7.493 -8.834 4.163 1.00 15.00 C ATOM 620 CD PRO B 207 8.027 -9.357 2.860 1.00 15.00 C ATOM 0 HA PRO B 207 5.487 -7.599 2.421 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.987 -6.761 3.985 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.382 -7.065 4.621 1.00 15.00 H new ATOM 0 HG2 PRO B 207 8.243 -8.905 4.951 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.629 -9.411 4.492 1.00 15.00 H new ATOM 0 HD2 PRO B 207 9.107 -9.232 2.788 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.821 -10.420 2.738 1.00 15.00 H new ATOM 628 N PRO B 208 5.715 -5.299 1.619 1.00 15.00 N ATOM 629 CA PRO B 208 5.775 -4.009 0.919 1.00 15.00 C ATOM 630 C PRO B 208 6.877 -3.093 1.431 1.00 15.00 C ATOM 631 O PRO B 208 7.248 -3.137 2.607 1.00 15.00 O ATOM 632 CB PRO B 208 4.412 -3.390 1.205 1.00 15.00 C ATOM 633 CG PRO B 208 3.514 -4.550 1.383 1.00 15.00 C ATOM 634 CD PRO B 208 4.340 -5.595 2.077 1.00 15.00 C ATOM 0 HA PRO B 208 5.998 -4.146 -0.139 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.438 -2.766 2.099 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.083 -2.755 0.382 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.640 -4.282 1.977 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.147 -4.913 0.423 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.253 -5.523 3.161 1.00 15.00 H new ATOM 0 HD3 PRO B 208 4.031 -6.603 1.799 1.00 15.00 H new ATOM 642 N PRO B 209 7.380 -2.229 0.540 1.00 15.00 N ATOM 643 CA PRO B 209 8.457 -1.288 0.853 1.00 15.00 C ATOM 644 C PRO B 209 8.136 -0.429 2.075 1.00 15.00 C ATOM 645 O PRO B 209 7.031 0.109 2.184 1.00 15.00 O ATOM 646 CB PRO B 209 8.536 -0.424 -0.406 1.00 15.00 C ATOM 647 CG PRO B 209 8.005 -1.293 -1.489 1.00 15.00 C ATOM 648 CD PRO B 209 6.918 -2.095 -0.852 1.00 15.00 C ATOM 0 HA PRO B 209 9.390 -1.794 1.101 1.00 15.00 H new ATOM 0 HB2 PRO B 209 7.944 0.485 -0.301 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.561 -0.115 -0.612 1.00 15.00 H new ATOM 0 HG2 PRO B 209 7.621 -0.698 -2.318 1.00 15.00 H new ATOM 0 HG3 PRO B 209 8.785 -1.938 -1.894 1.00 15.00 H new ATOM 0 HD2 PRO B 209 5.955 -1.588 -0.911 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.797 -3.066 -1.333 1.00 15.00 H new ATOM 656 N PRO B 210 9.106 -0.288 3.002 1.00 15.00 N ATOM 657 CA PRO B 210 8.922 0.469 4.245 1.00 15.00 C ATOM 658 C PRO B 210 8.324 1.852 4.015 1.00 15.00 C ATOM 659 O PRO B 210 8.887 2.677 3.291 1.00 15.00 O ATOM 660 CB PRO B 210 10.343 0.596 4.797 1.00 15.00 C ATOM 661 CG PRO B 210 11.063 -0.589 4.259 1.00 15.00 C ATOM 662 CD PRO B 210 10.461 -0.872 2.910 1.00 15.00 C ATOM 0 HA PRO B 210 8.224 -0.031 4.917 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.812 1.525 4.474 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.346 0.600 5.887 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.131 -0.389 4.174 1.00 15.00 H new ATOM 0 HG3 PRO B 210 10.951 -1.446 4.923 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.041 -0.414 2.109 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.423 -1.942 2.705 1.00 15.00 H new ATOM 670 N TYR B 211 7.175 2.091 4.630 1.00 15.00 N ATOM 671 CA TYR B 211 6.490 3.361 4.499 1.00 15.00 C ATOM 672 C TYR B 211 7.059 4.388 5.466 1.00 15.00 C ATOM 673 O TYR B 211 7.050 4.185 6.680 1.00 15.00 O ATOM 674 CB TYR B 211 4.988 3.184 4.753 1.00 15.00 C ATOM 675 CG TYR B 211 4.247 4.493 4.924 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.014 5.324 3.840 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.786 4.902 6.172 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.354 6.523 3.990 1.00 15.00 C ATOM 679 CE2 TYR B 211 3.120 6.100 6.326 1.00 15.00 C ATOM 680 CZ TYR B 211 2.909 6.907 5.236 1.00 15.00 C ATOM 681 OH TYR B 211 2.259 8.109 5.399 1.00 15.00 O ATOM 0 H TYR B 211 6.698 1.415 5.227 1.00 15.00 H new ATOM 0 HA TYR B 211 6.641 3.722 3.482 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.549 2.633 3.921 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.848 2.577 5.647 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.356 5.026 2.860 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.952 4.272 7.033 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.186 7.160 3.134 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.766 6.402 7.301 1.00 15.00 H new ATOM 0 HH TYR B 211 1.593 8.220 4.688 1.00 15.00 H new ATOM 691 N SER B 212 7.565 5.482 4.925 1.00 15.00 N ATOM 692 CA SER B 212 7.958 6.606 5.744 1.00 15.00 C ATOM 693 C SER B 212 6.949 7.736 5.545 1.00 15.00 C ATOM 694 O SER B 212 6.087 7.968 6.391 1.00 15.00 O ATOM 695 CB SER B 212 9.373 7.058 5.369 1.00 15.00 C ATOM 696 OG SER B 212 9.824 8.113 6.204 1.00 15.00 O ATOM 0 H SER B 212 7.712 5.612 3.924 1.00 15.00 H new ATOM 0 HA SER B 212 7.968 6.319 6.796 1.00 15.00 H new ATOM 0 HB2 SER B 212 10.058 6.214 5.447 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.387 7.385 4.329 1.00 15.00 H new ATOM 0 HG SER B 212 10.730 8.376 5.939 1.00 15.00 H new ATOM 702 N ARG B 213 7.035 8.410 4.408 1.00 15.00 N ATOM 703 CA ARG B 213 5.983 9.337 3.996 1.00 15.00 C ATOM 704 C ARG B 213 5.371 8.932 2.649 1.00 15.00 C ATOM 705 O ARG B 213 4.151 8.973 2.478 1.00 15.00 O ATOM 706 CB ARG B 213 6.488 10.778 3.933 1.00 15.00 C ATOM 707 CG ARG B 213 5.361 11.789 3.797 1.00 15.00 C ATOM 708 CD ARG B 213 4.411 11.703 4.984 1.00 15.00 C ATOM 709 NE ARG B 213 3.136 12.376 4.732 1.00 15.00 N ATOM 710 CZ ARG B 213 2.083 12.305 5.551 1.00 15.00 C ATOM 711 NH1 ARG B 213 2.170 11.659 6.707 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 0.940 12.886 5.215 1.00 15.00 N ATOM 0 H ARG B 213 7.816 8.336 3.756 1.00 15.00 H new ATOM 0 HA ARG B 213 5.205 9.284 4.757 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.061 10.998 4.834 1.00 15.00 H new ATOM 0 HB3 ARG B 213 7.169 10.883 3.089 1.00 15.00 H new ATOM 0 HG2 ARG B 213 5.775 12.795 3.729 1.00 15.00 H new ATOM 0 HG3 ARG B 213 4.813 11.607 2.873 1.00 15.00 H new ATOM 0 HD2 ARG B 213 4.225 10.655 5.221 1.00 15.00 H new ATOM 0 HD3 ARG B 213 4.886 12.148 5.858 1.00 15.00 H new ATOM 0 HE ARG B 213 3.046 12.932 3.881 1.00 15.00 H new ATOM 0 HH11 ARG B 213 3.046 11.212 6.976 1.00 15.00 H new ATOM 0 HH12 ARG B 213 1.361 11.610 7.326 1.00 15.00 H new ATOM 0 HH21 ARG B 213 0.864 13.388 4.330 1.00 15.00 H new ATOM 0 HH22 ARG B 213 0.137 12.831 5.841 1.00 15.00 H new ATOM 726 N TYR B 214 6.217 8.588 1.681 1.00 15.00 N ATOM 727 CA TYR B 214 5.751 8.145 0.376 1.00 15.00 C ATOM 728 C TYR B 214 6.224 6.722 0.106 1.00 15.00 C ATOM 729 O TYR B 214 7.297 6.323 0.559 1.00 15.00 O ATOM 730 CB TYR B 214 6.276 9.079 -0.716 1.00 15.00 C ATOM 731 CG TYR B 214 5.826 10.511 -0.559 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.528 10.890 -0.878 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.698 11.484 -0.091 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.114 12.198 -0.736 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.291 12.794 0.053 1.00 15.00 C ATOM 736 CZ TYR B 214 4.999 13.147 -0.271 1.00 15.00 C ATOM 737 OH TYR B 214 4.590 14.455 -0.131 1.00 15.00 O ATOM 0 H TYR B 214 7.232 8.609 1.780 1.00 15.00 H new ATOM 0 HA TYR B 214 4.661 8.166 0.369 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.366 9.048 -0.715 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.947 8.709 -1.687 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.832 10.149 -1.243 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.711 11.211 0.164 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.102 12.477 -0.988 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.982 13.540 0.418 1.00 15.00 H new ATOM 0 HH TYR B 214 5.333 14.996 0.209 1.00 15.00 H new ATOM 747 N PRO B 215 5.433 5.940 -0.643 1.00 15.00 N ATOM 748 CA PRO B 215 5.819 4.584 -1.028 1.00 15.00 C ATOM 749 C PRO B 215 6.966 4.583 -2.039 1.00 15.00 C ATOM 750 O PRO B 215 6.884 5.220 -3.091 1.00 15.00 O ATOM 751 CB PRO B 215 4.546 4.012 -1.657 1.00 15.00 C ATOM 752 CG PRO B 215 3.773 5.200 -2.115 1.00 15.00 C ATOM 753 CD PRO B 215 4.099 6.309 -1.153 1.00 15.00 C ATOM 0 HA PRO B 215 6.181 4.003 -0.180 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.781 3.349 -2.490 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.978 3.426 -0.934 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.048 5.475 -3.133 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.703 4.990 -2.119 1.00 15.00 H new ATOM 0 HD2 PRO B 215 4.113 7.280 -1.649 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.365 6.372 -0.349 1.00 15.00 H new ATOM 761 N MET B 216 8.037 3.883 -1.702 1.00 15.00 N ATOM 762 CA MET B 216 9.197 3.785 -2.574 1.00 15.00 C ATOM 763 C MET B 216 9.505 2.324 -2.883 1.00 15.00 C ATOM 764 O MET B 216 10.033 1.602 -2.040 1.00 15.00 O ATOM 765 CB MET B 216 10.415 4.472 -1.939 1.00 15.00 C ATOM 766 CG MET B 216 10.651 4.091 -0.483 1.00 15.00 C ATOM 767 SD MET B 216 12.153 4.820 0.200 1.00 15.00 S ATOM 768 CE MET B 216 11.984 4.376 1.930 1.00 15.00 C ATOM 0 H MET B 216 8.127 3.371 -0.825 1.00 15.00 H new ATOM 0 HA MET B 216 8.969 4.297 -3.509 1.00 15.00 H new ATOM 0 HB2 MET B 216 11.304 4.221 -2.518 1.00 15.00 H new ATOM 0 HB3 MET B 216 10.286 5.552 -2.005 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.796 4.408 0.113 1.00 15.00 H new ATOM 0 HG3 MET B 216 10.711 3.006 -0.402 1.00 15.00 H new ATOM 0 HE1 MET B 216 12.839 4.757 2.489 1.00 15.00 H new ATOM 0 HE2 MET B 216 11.067 4.810 2.329 1.00 15.00 H new ATOM 0 HE3 MET B 216 11.943 3.291 2.025 1.00 15.00 H new ATOM 778 N ASP B 217 9.141 1.884 -4.076 1.00 15.00 N ATOM 779 CA ASP B 217 9.332 0.496 -4.470 1.00 15.00 C ATOM 780 C ASP B 217 10.536 0.376 -5.396 1.00 15.00 C ATOM 781 O ASP B 217 11.595 -0.093 -4.938 1.00 15.00 O ATOM 782 CB ASP B 217 8.072 -0.036 -5.158 1.00 15.00 C ATOM 783 CG ASP B 217 8.155 -1.516 -5.481 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.875 -2.342 -4.589 1.00 15.00 O ATOM 785 OD2 ASP B 217 8.474 -1.860 -6.638 1.00 15.00 O1- ATOM 786 OXT ASP B 217 10.432 0.795 -6.570 1.00 15.00 O ATOM 0 H ASP B 217 8.710 2.469 -4.791 1.00 15.00 H new ATOM 0 HA ASP B 217 9.518 -0.102 -3.578 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.210 0.142 -4.515 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.904 0.523 -6.079 1.00 15.00 H new TER 791 ASP B 217