USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=14 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: A 392 THR OG1 : rot -123:sc= 0.551 USER MOD Set 1.2: A 394 THR OG1 : rot 180:sc= 0.53 USER MOD Set 2.1: A 385 ASN : amide:sc= -2.56! C(o=-1.1!,f=-9.8!) USER MOD Set 2.2: A 387 ASN : amide:sc= 1.24 K(o=-1.1,f=-3.6) USER MOD Set 2.3: A 388 ASN : amide:sc= -0.0922 K(o=-1.1,f=-10!) USER MOD Set 2.4: A 390 THR OG1 : rot -0:sc= 0.344 USER MOD Set 3.1: A 386 HIS : +bothHN:sc= 1.7 K(o=2,f=-17!) USER MOD Set 3.2: B 211 TYR OH : rot -130:sc= 0.318 USER MOD Single : A 369 SER OG : rot 43:sc= 0.0582 USER MOD Single : A 375 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 378 LYS NZ :NH3+ 164:sc= 0.621 (180deg=-0.586!) USER MOD Single : A 381 THR OG1 : rot 49:sc= 0.395 USER MOD Single : A 382 TYR OH : rot 180:sc= 0 USER MOD Single : A 383 TYR OH : rot 30:sc= 0 USER MOD Single : A 391 THR OG1 : rot 40:sc= 0.433 USER MOD Single : B 206 SER OG : rot 180:sc= -0.0956 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 24 N LEU A 367 -13.280 1.333 0.046 1.00 15.00 N ATOM 25 CA LEU A 367 -12.133 2.234 0.061 1.00 15.00 C ATOM 26 C LEU A 367 -12.211 3.123 1.302 1.00 15.00 C ATOM 27 O LEU A 367 -13.118 3.951 1.423 1.00 15.00 O ATOM 28 CB LEU A 367 -12.107 3.090 -1.216 1.00 15.00 C ATOM 29 CG LEU A 367 -10.746 3.702 -1.608 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.847 4.354 -2.978 1.00 15.00 C ATOM 31 CD2 LEU A 367 -10.273 4.728 -0.591 1.00 15.00 C ATOM 0 HA LEU A 367 -11.213 1.650 0.093 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.456 2.475 -2.046 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.824 3.902 -1.097 1.00 15.00 H new ATOM 0 HG LEU A 367 -10.016 2.893 -1.633 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.883 4.784 -3.248 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -11.130 3.605 -3.717 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -11.601 5.141 -2.952 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -9.311 5.135 -0.905 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -11.003 5.535 -0.522 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -10.165 4.251 0.383 1.00 15.00 H new ATOM 43 N PRO A 368 -11.282 2.942 2.252 1.00 15.00 N ATOM 44 CA PRO A 368 -11.224 3.747 3.463 1.00 15.00 C ATOM 45 C PRO A 368 -10.354 4.995 3.296 1.00 15.00 C ATOM 46 O PRO A 368 -9.342 4.981 2.592 1.00 15.00 O ATOM 47 CB PRO A 368 -10.604 2.783 4.472 1.00 15.00 C ATOM 48 CG PRO A 368 -9.770 1.834 3.669 1.00 15.00 C ATOM 49 CD PRO A 368 -10.238 1.906 2.236 1.00 15.00 C ATOM 0 HA PRO A 368 -12.201 4.133 3.756 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -9.995 3.318 5.201 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.375 2.251 5.029 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.715 2.099 3.740 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -9.870 0.819 4.053 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.423 2.172 1.563 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.632 0.948 1.897 1.00 15.00 H new ATOM 57 N SER A 369 -10.737 6.061 3.988 1.00 15.00 N ATOM 58 CA SER A 369 -10.078 7.351 3.851 1.00 15.00 C ATOM 59 C SER A 369 -8.672 7.327 4.449 1.00 15.00 C ATOM 60 O SER A 369 -8.489 7.039 5.633 1.00 15.00 O ATOM 61 CB SER A 369 -10.933 8.422 4.531 1.00 15.00 C ATOM 62 OG SER A 369 -11.400 7.970 5.796 1.00 15.00 O ATOM 0 H SER A 369 -11.508 6.055 4.655 1.00 15.00 H new ATOM 0 HA SER A 369 -9.973 7.582 2.791 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.348 9.333 4.659 1.00 15.00 H new ATOM 0 HB3 SER A 369 -11.781 8.674 3.895 1.00 15.00 H new ATOM 0 HG SER A 369 -10.675 7.507 6.266 1.00 15.00 H new ATOM 68 N GLY A 370 -7.682 7.635 3.619 1.00 15.00 N ATOM 69 CA GLY A 370 -6.305 7.633 4.074 1.00 15.00 C ATOM 70 C GLY A 370 -5.455 6.617 3.337 1.00 15.00 C ATOM 71 O GLY A 370 -4.225 6.642 3.424 1.00 15.00 O ATOM 0 H GLY A 370 -7.809 7.886 2.639 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.879 8.627 3.938 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.278 7.419 5.142 1.00 15.00 H new ATOM 75 N TRP A 371 -6.112 5.723 2.611 1.00 15.00 N ATOM 76 CA TRP A 371 -5.418 4.691 1.852 1.00 15.00 C ATOM 77 C TRP A 371 -5.292 5.088 0.382 1.00 15.00 C ATOM 78 O TRP A 371 -6.227 5.641 -0.197 1.00 15.00 O ATOM 79 CB TRP A 371 -6.185 3.368 1.935 1.00 15.00 C ATOM 80 CG TRP A 371 -6.131 2.696 3.274 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.740 3.101 4.427 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.438 1.482 3.591 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.468 2.213 5.439 1.00 15.00 N ATOM 84 CE2 TRP A 371 -5.670 1.212 4.952 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.641 0.599 2.856 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.136 0.094 5.592 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.111 -0.508 3.491 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.360 -0.752 4.846 1.00 15.00 C ATOM 0 H TRP A 371 -7.128 5.692 2.531 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.423 4.575 2.282 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.228 3.552 1.678 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.787 2.685 1.185 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.346 3.989 4.528 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -6.806 2.287 6.399 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.443 0.779 1.810 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.328 -0.097 6.638 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.494 -1.196 2.932 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -3.931 -1.626 5.313 1.00 15.00 H new ATOM 99 N GLU A 372 -4.151 4.791 -0.226 1.00 15.00 N ATOM 100 CA GLU A 372 -4.001 4.961 -1.665 1.00 15.00 C ATOM 101 C GLU A 372 -3.662 3.630 -2.329 1.00 15.00 C ATOM 102 O GLU A 372 -2.696 2.960 -1.952 1.00 15.00 O ATOM 103 CB GLU A 372 -2.939 6.006 -2.014 1.00 15.00 C ATOM 104 CG GLU A 372 -3.359 7.439 -1.768 1.00 15.00 C ATOM 105 CD GLU A 372 -2.289 8.418 -2.190 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.702 8.233 -3.277 1.00 15.00 O1- ATOM 107 OE2 GLU A 372 -2.023 9.372 -1.432 1.00 15.00 O ATOM 0 H GLU A 372 -3.322 4.434 0.250 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.957 5.321 -2.046 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -2.041 5.800 -1.432 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.671 5.895 -3.065 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -4.278 7.647 -2.315 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -3.580 7.576 -0.710 1.00 15.00 H new ATOM 114 N GLU A 373 -4.463 3.257 -3.318 1.00 15.00 N ATOM 115 CA GLU A 373 -4.274 2.007 -4.040 1.00 15.00 C ATOM 116 C GLU A 373 -3.425 2.271 -5.259 1.00 15.00 C ATOM 117 O GLU A 373 -3.901 2.846 -6.236 1.00 15.00 O ATOM 118 CB GLU A 373 -5.612 1.466 -4.501 1.00 15.00 C ATOM 119 CG GLU A 373 -6.737 1.858 -3.585 1.00 15.00 C ATOM 120 CD GLU A 373 -8.089 1.508 -4.166 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.132 0.804 -5.196 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -9.116 1.902 -3.591 1.00 15.00 O ATOM 0 H GLU A 373 -5.258 3.809 -3.641 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.793 1.284 -3.381 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.822 1.832 -5.506 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.559 0.379 -4.562 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.614 1.357 -2.625 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.691 2.930 -3.393 1.00 15.00 H new ATOM 129 N ARG A 374 -2.174 1.889 -5.212 1.00 15.00 N ATOM 130 CA ARG A 374 -1.259 2.289 -6.253 1.00 15.00 C ATOM 131 C ARG A 374 -0.456 1.104 -6.774 1.00 15.00 C ATOM 132 O ARG A 374 0.268 0.437 -6.030 1.00 15.00 O ATOM 133 CB ARG A 374 -0.375 3.409 -5.713 1.00 15.00 C ATOM 134 CG ARG A 374 -1.185 4.635 -5.292 1.00 15.00 C ATOM 135 CD ARG A 374 -0.348 5.625 -4.492 1.00 15.00 C ATOM 136 NE ARG A 374 0.825 6.096 -5.234 1.00 15.00 N ATOM 137 CZ ARG A 374 1.263 7.360 -5.223 1.00 15.00 C ATOM 138 NH1 ARG A 374 0.605 8.299 -4.551 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.358 7.689 -5.897 1.00 15.00 N ATOM 0 H ARG A 374 -1.769 1.310 -4.476 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.813 2.665 -7.113 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.193 3.041 -4.859 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.348 3.698 -6.476 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.582 5.129 -6.179 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -2.040 4.317 -4.695 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.966 6.479 -4.216 1.00 15.00 H new ATOM 0 HD3 ARG A 374 -0.022 5.154 -3.564 1.00 15.00 H new ATOM 0 HE ARG A 374 1.340 5.417 -5.794 1.00 15.00 H new ATOM 0 HH11 ARG A 374 -0.243 8.059 -4.037 1.00 15.00 H new ATOM 0 HH12 ARG A 374 0.948 9.260 -4.549 1.00 15.00 H new ATOM 0 HH21 ARG A 374 2.866 6.978 -6.423 1.00 15.00 H new ATOM 0 HH22 ARG A 374 2.692 8.653 -5.889 1.00 15.00 H new ATOM 153 N LYS A 375 -0.625 0.840 -8.062 1.00 15.00 N ATOM 154 CA LYS A 375 0.037 -0.271 -8.721 1.00 15.00 C ATOM 155 C LYS A 375 1.213 0.261 -9.524 1.00 15.00 C ATOM 156 O LYS A 375 1.028 1.037 -10.464 1.00 15.00 O ATOM 157 CB LYS A 375 -0.928 -1.021 -9.658 1.00 15.00 C ATOM 158 CG LYS A 375 -2.271 -1.409 -9.039 1.00 15.00 C ATOM 159 CD LYS A 375 -3.256 -0.246 -9.042 1.00 15.00 C ATOM 160 CE LYS A 375 -4.676 -0.693 -8.723 1.00 15.00 C ATOM 161 NZ LYS A 375 -4.826 -1.177 -7.324 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.225 1.391 -8.677 1.00 15.00 H new ATOM 0 HA LYS A 375 0.381 -0.971 -7.960 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.116 -0.398 -10.533 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.435 -1.926 -10.012 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.697 -2.247 -9.591 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.114 -1.749 -8.015 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.939 0.498 -8.312 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.240 0.238 -10.018 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -5.360 0.139 -8.891 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.965 -1.488 -9.411 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.811 -1.468 -7.161 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -4.195 -1.988 -7.168 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.577 -0.413 -6.664 1.00 15.00 H new ATOM 175 N ASP A 376 2.411 -0.146 -9.153 1.00 15.00 N ATOM 176 CA ASP A 376 3.615 0.361 -9.797 1.00 15.00 C ATOM 177 C ASP A 376 3.988 -0.515 -10.990 1.00 15.00 C ATOM 178 O ASP A 376 3.738 -1.720 -10.981 1.00 15.00 O ATOM 179 CB ASP A 376 4.771 0.425 -8.805 1.00 15.00 C ATOM 180 CG ASP A 376 5.791 1.478 -9.192 1.00 15.00 C ATOM 181 OD1 ASP A 376 6.367 1.383 -10.295 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 6.024 2.405 -8.399 1.00 15.00 O ATOM 0 H ASP A 376 2.581 -0.825 -8.411 1.00 15.00 H new ATOM 0 HA ASP A 376 3.413 1.371 -10.154 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.384 0.643 -7.810 1.00 15.00 H new ATOM 0 HB3 ASP A 376 5.257 -0.549 -8.751 1.00 15.00 H new ATOM 187 N ALA A 377 4.620 0.101 -11.986 1.00 15.00 N ATOM 188 CA ALA A 377 4.838 -0.506 -13.304 1.00 15.00 C ATOM 189 C ALA A 377 5.654 -1.803 -13.258 1.00 15.00 C ATOM 190 O ALA A 377 5.548 -2.631 -14.166 1.00 15.00 O ATOM 191 CB ALA A 377 5.514 0.499 -14.223 1.00 15.00 C ATOM 0 H ALA A 377 5.000 1.044 -11.904 1.00 15.00 H new ATOM 0 HA ALA A 377 3.855 -0.777 -13.688 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.675 0.046 -15.201 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.879 1.379 -14.330 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.473 0.794 -13.797 1.00 15.00 H new ATOM 197 N LYS A 378 6.456 -1.993 -12.211 1.00 15.00 N ATOM 198 CA LYS A 378 7.209 -3.246 -12.047 1.00 15.00 C ATOM 199 C LYS A 378 6.248 -4.397 -11.788 1.00 15.00 C ATOM 200 O LYS A 378 6.616 -5.567 -11.865 1.00 15.00 O ATOM 201 CB LYS A 378 8.214 -3.196 -10.885 1.00 15.00 C ATOM 202 CG LYS A 378 9.067 -1.945 -10.816 1.00 15.00 C ATOM 203 CD LYS A 378 8.334 -0.841 -10.088 1.00 15.00 C ATOM 204 CE LYS A 378 9.299 0.129 -9.424 1.00 15.00 C ATOM 205 NZ LYS A 378 8.616 0.986 -8.421 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.603 -1.308 -11.470 1.00 15.00 H new ATOM 0 HA LYS A 378 7.765 -3.391 -12.973 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.665 -3.293 -9.948 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.873 -4.061 -10.960 1.00 15.00 H new ATOM 0 HG2 LYS A 378 10.004 -2.165 -10.305 1.00 15.00 H new ATOM 0 HG3 LYS A 378 9.323 -1.617 -11.823 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.699 -0.300 -10.790 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.677 -1.275 -9.334 1.00 15.00 H new ATOM 0 HE2 LYS A 378 10.100 -0.429 -8.940 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.763 0.758 -10.184 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.325 1.433 -7.806 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 8.068 1.722 -8.909 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.976 0.403 -7.844 1.00 15.00 H new ATOM 219 N GLY A 379 5.017 -4.038 -11.469 1.00 15.00 N ATOM 220 CA GLY A 379 4.032 -4.994 -11.032 1.00 15.00 C ATOM 221 C GLY A 379 4.054 -5.155 -9.535 1.00 15.00 C ATOM 222 O GLY A 379 4.069 -6.269 -9.006 1.00 15.00 O ATOM 0 H GLY A 379 4.679 -3.076 -11.508 1.00 15.00 H new ATOM 0 HA2 GLY A 379 3.041 -4.670 -11.351 1.00 15.00 H new ATOM 0 HA3 GLY A 379 4.221 -5.957 -11.507 1.00 15.00 H new ATOM 226 N ARG A 380 4.066 -4.020 -8.855 1.00 15.00 N ATOM 227 CA ARG A 380 4.010 -3.986 -7.409 1.00 15.00 C ATOM 228 C ARG A 380 2.693 -3.354 -6.986 1.00 15.00 C ATOM 229 O ARG A 380 2.515 -2.140 -7.090 1.00 15.00 O ATOM 230 CB ARG A 380 5.187 -3.187 -6.833 1.00 15.00 C ATOM 231 CG ARG A 380 6.528 -3.505 -7.481 1.00 15.00 C ATOM 232 CD ARG A 380 6.930 -4.956 -7.281 1.00 15.00 C ATOM 233 NE ARG A 380 7.337 -5.241 -5.905 1.00 15.00 N ATOM 234 CZ ARG A 380 7.333 -6.463 -5.371 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.906 -7.495 -6.086 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.762 -6.652 -4.130 1.00 15.00 N ATOM 0 H ARG A 380 4.115 -3.100 -9.292 1.00 15.00 H new ATOM 0 HA ARG A 380 4.077 -5.003 -7.024 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.982 -2.123 -6.950 1.00 15.00 H new ATOM 0 HB3 ARG A 380 5.257 -3.383 -5.763 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.475 -3.288 -8.548 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.296 -2.855 -7.061 1.00 15.00 H new ATOM 0 HD2 ARG A 380 6.094 -5.601 -7.550 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.750 -5.199 -7.957 1.00 15.00 H new ATOM 0 HE ARG A 380 7.641 -4.462 -5.321 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.581 -7.353 -7.043 1.00 15.00 H new ATOM 0 HH12 ARG A 380 6.902 -8.430 -5.679 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.097 -5.861 -3.580 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.757 -7.588 -3.726 1.00 15.00 H new ATOM 250 N THR A 381 1.752 -4.182 -6.575 1.00 15.00 N ATOM 251 CA THR A 381 0.441 -3.702 -6.180 1.00 15.00 C ATOM 252 C THR A 381 0.354 -3.550 -4.667 1.00 15.00 C ATOM 253 O THR A 381 -0.005 -4.490 -3.961 1.00 15.00 O ATOM 254 CB THR A 381 -0.661 -4.657 -6.672 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.349 -6.000 -6.281 1.00 15.00 O ATOM 256 CG2 THR A 381 -0.806 -4.591 -8.185 1.00 15.00 C ATOM 0 H THR A 381 1.871 -5.193 -6.506 1.00 15.00 H new ATOM 0 HA THR A 381 0.291 -2.725 -6.640 1.00 15.00 H new ATOM 0 HB THR A 381 -1.604 -4.350 -6.220 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.121 -6.019 -5.328 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.591 -5.276 -8.505 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.067 -3.575 -8.482 1.00 15.00 H new ATOM 0 HG23 THR A 381 0.136 -4.875 -8.654 1.00 15.00 H new ATOM 264 N TYR A 382 0.696 -2.373 -4.171 1.00 15.00 N ATOM 265 CA TYR A 382 0.727 -2.144 -2.737 1.00 15.00 C ATOM 266 C TYR A 382 -0.315 -1.115 -2.319 1.00 15.00 C ATOM 267 O TYR A 382 -0.475 -0.069 -2.953 1.00 15.00 O ATOM 268 CB TYR A 382 2.134 -1.714 -2.291 1.00 15.00 C ATOM 269 CG TYR A 382 2.763 -0.619 -3.132 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.425 0.715 -2.944 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.705 -0.924 -4.108 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.002 1.711 -3.706 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.290 0.069 -4.873 1.00 15.00 C ATOM 274 CZ TYR A 382 3.934 1.386 -4.667 1.00 15.00 C ATOM 275 OH TYR A 382 4.513 2.384 -5.420 1.00 15.00 O ATOM 0 H TYR A 382 0.955 -1.565 -4.737 1.00 15.00 H new ATOM 0 HA TYR A 382 0.480 -3.082 -2.240 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.084 -1.374 -1.257 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.787 -2.586 -2.308 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.699 0.977 -2.189 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.985 -1.954 -4.272 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.723 2.743 -3.549 1.00 15.00 H new ATOM 0 HE2 TYR A 382 5.021 -0.185 -5.627 1.00 15.00 H new ATOM 0 HH TYR A 382 5.149 1.989 -6.052 1.00 15.00 H new ATOM 285 N TYR A 383 -1.036 -1.431 -1.259 1.00 15.00 N ATOM 286 CA TYR A 383 -1.965 -0.490 -0.659 1.00 15.00 C ATOM 287 C TYR A 383 -1.276 0.218 0.494 1.00 15.00 C ATOM 288 O TYR A 383 -0.907 -0.417 1.481 1.00 15.00 O ATOM 289 CB TYR A 383 -3.217 -1.212 -0.156 1.00 15.00 C ATOM 290 CG TYR A 383 -4.018 -1.879 -1.248 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.657 -3.126 -1.744 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.135 -1.259 -1.787 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.388 -3.734 -2.744 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.870 -1.859 -2.785 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.494 -3.095 -3.261 1.00 15.00 C ATOM 296 OH TYR A 383 -6.228 -3.689 -4.262 1.00 15.00 O ATOM 0 H TYR A 383 -0.996 -2.338 -0.793 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.272 0.238 -1.410 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.922 -1.964 0.576 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.854 -0.496 0.363 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.790 -3.628 -1.340 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.434 -0.289 -1.418 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -4.095 -4.704 -3.119 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.738 -1.362 -3.193 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.173 -4.663 -4.174 1.00 15.00 H new ATOM 306 N VAL A 384 -1.064 1.515 0.356 1.00 15.00 N ATOM 307 CA VAL A 384 -0.388 2.276 1.393 1.00 15.00 C ATOM 308 C VAL A 384 -1.361 3.159 2.159 1.00 15.00 C ATOM 309 O VAL A 384 -2.156 3.897 1.574 1.00 15.00 O ATOM 310 CB VAL A 384 0.766 3.137 0.837 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.975 2.282 0.501 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.327 3.917 -0.381 1.00 15.00 C ATOM 0 H VAL A 384 -1.348 2.061 -0.458 1.00 15.00 H new ATOM 0 HA VAL A 384 0.039 1.541 2.075 1.00 15.00 H new ATOM 0 HB VAL A 384 1.049 3.844 1.617 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.772 2.916 0.112 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.322 1.774 1.400 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.700 1.542 -0.251 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.161 4.514 -0.751 1.00 15.00 H new ATOM 0 HG22 VAL A 384 0.003 3.225 -1.159 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.500 4.575 -0.113 1.00 15.00 H new ATOM 322 N ASN A 385 -1.291 3.061 3.476 1.00 15.00 N ATOM 323 CA ASN A 385 -2.159 3.814 4.360 1.00 15.00 C ATOM 324 C ASN A 385 -1.396 4.951 5.026 1.00 15.00 C ATOM 325 O ASN A 385 -0.420 4.716 5.751 1.00 15.00 O ATOM 326 CB ASN A 385 -2.745 2.892 5.430 1.00 15.00 C ATOM 327 CG ASN A 385 -3.673 3.622 6.377 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.267 4.637 6.023 1.00 15.00 O ATOM 329 ND2 ASN A 385 -3.805 3.111 7.590 1.00 15.00 N ATOM 0 H ASN A 385 -0.629 2.456 3.961 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.968 4.238 3.765 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.289 2.080 4.947 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -1.933 2.439 5.999 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.418 3.562 8.270 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.294 2.266 7.846 1.00 15.00 H new ATOM 336 N HIS A 386 -1.863 6.175 4.790 1.00 15.00 N ATOM 337 CA HIS A 386 -1.243 7.370 5.356 1.00 15.00 C ATOM 338 C HIS A 386 -1.656 7.550 6.811 1.00 15.00 C ATOM 339 O HIS A 386 -1.048 8.323 7.549 1.00 15.00 O ATOM 340 CB HIS A 386 -1.649 8.630 4.580 1.00 15.00 C ATOM 341 CG HIS A 386 -1.273 8.634 3.128 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.019 8.477 2.685 1.00 15.00 N ATOM 343 CD2 HIS A 386 -2.026 8.812 2.017 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.051 8.565 1.372 1.00 15.00 C ATOM 345 NE2 HIS A 386 -1.178 8.768 0.939 1.00 15.00 N ATOM 0 H HIS A 386 -2.676 6.366 4.205 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.164 7.234 5.286 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.729 8.754 4.660 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.192 9.496 5.060 1.00 15.00 H new ATOM 0 HD1 HIS A 386 0.830 8.317 3.283 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -3.095 8.961 1.985 1.00 15.00 H new ATOM 0 HE1 HIS A 386 0.933 8.485 0.755 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -1.453 8.875 -0.037 1.00 15.00 H new ATOM 354 N ASN A 387 -2.706 6.842 7.204 1.00 15.00 N ATOM 355 CA ASN A 387 -3.294 7.003 8.529 1.00 15.00 C ATOM 356 C ASN A 387 -2.346 6.553 9.635 1.00 15.00 C ATOM 357 O ASN A 387 -2.109 7.281 10.595 1.00 15.00 O ATOM 358 CB ASN A 387 -4.605 6.216 8.633 1.00 15.00 C ATOM 359 CG ASN A 387 -5.737 6.831 7.833 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.811 8.048 7.660 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.635 5.987 7.347 1.00 15.00 N ATOM 0 H ASN A 387 -3.171 6.146 6.621 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.490 8.067 8.662 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.437 5.196 8.287 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -4.901 6.153 9.680 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.425 6.339 6.806 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.536 4.986 7.514 1.00 15.00 H new ATOM 368 N ASN A 388 -1.826 5.343 9.510 1.00 15.00 N ATOM 369 CA ASN A 388 -1.028 4.749 10.583 1.00 15.00 C ATOM 370 C ASN A 388 0.413 4.459 10.156 1.00 15.00 C ATOM 371 O ASN A 388 1.261 4.187 11.008 1.00 15.00 O ATOM 372 CB ASN A 388 -1.697 3.471 11.106 1.00 15.00 C ATOM 373 CG ASN A 388 -1.580 2.295 10.154 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.472 2.464 8.938 1.00 15.00 O ATOM 375 ND2 ASN A 388 -1.630 1.093 10.701 1.00 15.00 N ATOM 0 H ASN A 388 -1.938 4.753 8.686 1.00 15.00 H new ATOM 0 HA ASN A 388 -0.980 5.485 11.385 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.249 3.201 12.062 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -2.752 3.673 11.294 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -1.579 0.262 10.112 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -1.720 0.996 11.712 1.00 15.00 H new ATOM 382 N ARG A 389 0.666 4.492 8.839 1.00 15.00 N ATOM 383 CA ARG A 389 1.944 4.075 8.249 1.00 15.00 C ATOM 384 C ARG A 389 2.007 2.559 8.105 1.00 15.00 C ATOM 385 O ARG A 389 2.721 1.878 8.845 1.00 15.00 O ATOM 386 CB ARG A 389 3.168 4.575 9.027 1.00 15.00 C ATOM 387 CG ARG A 389 3.581 6.004 8.722 1.00 15.00 C ATOM 388 CD ARG A 389 4.873 6.357 9.443 1.00 15.00 C ATOM 389 NE ARG A 389 5.914 5.352 9.213 1.00 15.00 N ATOM 390 CZ ARG A 389 7.220 5.610 9.182 1.00 15.00 C ATOM 391 NH1 ARG A 389 7.667 6.853 9.311 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 8.079 4.614 8.999 1.00 15.00 N ATOM 0 H ARG A 389 -0.016 4.811 8.150 1.00 15.00 H new ATOM 0 HA ARG A 389 1.982 4.540 7.264 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.961 4.492 10.094 1.00 15.00 H new ATOM 0 HB3 ARG A 389 4.010 3.916 8.814 1.00 15.00 H new ATOM 0 HG2 ARG A 389 3.713 6.128 7.647 1.00 15.00 H new ATOM 0 HG3 ARG A 389 2.790 6.689 9.027 1.00 15.00 H new ATOM 0 HD2 ARG A 389 5.225 7.331 9.102 1.00 15.00 H new ATOM 0 HD3 ARG A 389 4.681 6.444 10.512 1.00 15.00 H new ATOM 0 HE ARG A 389 5.618 4.387 9.066 1.00 15.00 H new ATOM 0 HH11 ARG A 389 7.008 7.622 9.435 1.00 15.00 H new ATOM 0 HH12 ARG A 389 8.669 7.040 9.286 1.00 15.00 H new ATOM 0 HH21 ARG A 389 7.737 3.660 8.883 1.00 15.00 H new ATOM 0 HH22 ARG A 389 9.081 4.803 8.974 1.00 15.00 H new ATOM 406 N THR A 390 1.213 2.030 7.187 1.00 15.00 N ATOM 407 CA THR A 390 1.187 0.594 6.928 1.00 15.00 C ATOM 408 C THR A 390 0.832 0.320 5.469 1.00 15.00 C ATOM 409 O THR A 390 0.051 1.051 4.870 1.00 15.00 O ATOM 410 CB THR A 390 0.182 -0.119 7.865 1.00 15.00 C ATOM 411 OG1 THR A 390 0.608 0.023 9.225 1.00 15.00 O ATOM 412 CG2 THR A 390 0.050 -1.598 7.534 1.00 15.00 C ATOM 0 H THR A 390 0.575 2.574 6.606 1.00 15.00 H new ATOM 0 HA THR A 390 2.183 0.198 7.127 1.00 15.00 H new ATOM 0 HB THR A 390 -0.792 0.348 7.721 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.444 0.534 9.254 1.00 15.00 H new ATOM 0 HG21 THR A 390 -0.665 -2.061 8.215 1.00 15.00 H new ATOM 0 HG22 THR A 390 -0.300 -1.711 6.508 1.00 15.00 H new ATOM 0 HG23 THR A 390 1.020 -2.083 7.642 1.00 15.00 H new ATOM 420 N THR A 391 1.425 -0.719 4.898 1.00 15.00 N ATOM 421 CA THR A 391 1.121 -1.115 3.534 1.00 15.00 C ATOM 422 C THR A 391 0.921 -2.630 3.459 1.00 15.00 C ATOM 423 O THR A 391 1.530 -3.380 4.222 1.00 15.00 O ATOM 424 CB THR A 391 2.226 -0.655 2.555 1.00 15.00 C ATOM 425 OG1 THR A 391 1.939 -1.108 1.228 1.00 15.00 O ATOM 426 CG2 THR A 391 3.596 -1.154 2.989 1.00 15.00 C ATOM 0 H THR A 391 2.121 -1.303 5.361 1.00 15.00 H new ATOM 0 HA THR A 391 0.195 -0.625 3.234 1.00 15.00 H new ATOM 0 HB THR A 391 2.243 0.435 2.565 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.980 -1.014 1.050 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.349 -0.813 2.279 1.00 15.00 H new ATOM 0 HG22 THR A 391 3.828 -0.764 3.980 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.593 -2.244 3.020 1.00 15.00 H new ATOM 434 N THR A 392 0.049 -3.073 2.559 1.00 15.00 N ATOM 435 CA THR A 392 -0.316 -4.479 2.476 1.00 15.00 C ATOM 436 C THR A 392 -0.682 -4.866 1.040 1.00 15.00 C ATOM 437 O THR A 392 -1.131 -4.021 0.261 1.00 15.00 O ATOM 438 CB THR A 392 -1.493 -4.796 3.431 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.821 -6.190 3.382 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.724 -3.973 3.079 1.00 15.00 C ATOM 0 H THR A 392 -0.418 -2.476 1.876 1.00 15.00 H new ATOM 0 HA THR A 392 0.549 -5.068 2.781 1.00 15.00 H new ATOM 0 HB THR A 392 -1.175 -4.536 4.441 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.765 -6.296 3.139 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.534 -4.217 3.767 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.487 -2.912 3.159 1.00 15.00 H new ATOM 0 HG23 THR A 392 -3.034 -4.200 2.059 1.00 15.00 H new ATOM 448 N TRP A 393 -0.444 -6.130 0.680 1.00 15.00 N ATOM 449 CA TRP A 393 -0.810 -6.632 -0.643 1.00 15.00 C ATOM 450 C TRP A 393 -2.308 -6.901 -0.718 1.00 15.00 C ATOM 451 O TRP A 393 -2.908 -6.878 -1.794 1.00 15.00 O ATOM 452 CB TRP A 393 -0.079 -7.939 -0.973 1.00 15.00 C ATOM 453 CG TRP A 393 1.411 -7.880 -0.865 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.183 -8.529 0.052 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.312 -7.155 -1.708 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.508 -8.252 -0.167 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.612 -7.409 -1.238 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.148 -6.316 -2.810 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.739 -6.857 -1.831 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.269 -5.766 -3.400 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.550 -6.040 -2.908 1.00 15.00 C ATOM 0 H TRP A 393 -0.001 -6.821 1.285 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.523 -5.864 -1.361 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.445 -8.720 -0.306 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.342 -8.238 -1.988 1.00 15.00 H new ATOM 0 HD1 TRP A 393 1.806 -9.168 0.837 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.288 -8.616 0.380 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.162 -6.100 -3.195 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.729 -7.066 -1.454 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.155 -5.115 -4.254 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.408 -5.595 -3.391 1.00 15.00 H new ATOM 472 N THR A 394 -2.899 -7.195 0.431 1.00 15.00 N ATOM 473 CA THR A 394 -4.294 -7.598 0.488 1.00 15.00 C ATOM 474 C THR A 394 -5.230 -6.398 0.456 1.00 15.00 C ATOM 475 O THR A 394 -4.879 -5.313 0.917 1.00 15.00 O ATOM 476 CB THR A 394 -4.572 -8.458 1.732 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.907 -7.912 2.881 1.00 15.00 O ATOM 478 CG2 THR A 394 -4.108 -9.885 1.503 1.00 15.00 C ATOM 0 H THR A 394 -2.432 -7.162 1.337 1.00 15.00 H new ATOM 0 HA THR A 394 -4.489 -8.199 -0.400 1.00 15.00 H new ATOM 0 HB THR A 394 -5.647 -8.457 1.912 1.00 15.00 H new ATOM 0 HG1 THR A 394 -4.096 -8.470 3.664 1.00 15.00 H new ATOM 0 HG21 THR A 394 -4.312 -10.481 2.393 1.00 15.00 H new ATOM 0 HG22 THR A 394 -4.641 -10.309 0.652 1.00 15.00 H new ATOM 0 HG23 THR A 394 -3.037 -9.891 1.300 1.00 15.00 H new ATOM 486 N ARG A 395 -6.418 -6.602 -0.100 1.00 15.00 N ATOM 487 CA ARG A 395 -7.394 -5.533 -0.251 1.00 15.00 C ATOM 488 C ARG A 395 -8.089 -5.233 1.075 1.00 15.00 C ATOM 489 O ARG A 395 -8.761 -6.095 1.643 1.00 15.00 O ATOM 490 CB ARG A 395 -8.442 -5.912 -1.304 1.00 15.00 C ATOM 491 CG ARG A 395 -9.491 -4.830 -1.526 1.00 15.00 C ATOM 492 CD ARG A 395 -8.860 -3.561 -2.065 1.00 15.00 C ATOM 493 NE ARG A 395 -9.747 -2.404 -1.966 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.661 -1.344 -2.768 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.865 -1.381 -3.829 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.396 -0.268 -2.532 1.00 15.00 N ATOM 0 H ARG A 395 -6.729 -7.506 -0.456 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.861 -4.639 -0.576 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.939 -6.120 -2.248 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.939 -6.833 -0.997 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.247 -5.189 -2.225 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -10.001 -4.616 -0.587 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.940 -3.356 -1.517 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.583 -3.713 -3.108 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.469 -2.408 -1.246 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.321 -2.220 -4.029 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.798 -0.570 -4.445 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -11.031 -0.249 -1.734 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.327 0.542 -3.148 1.00 15.00 H new ATOM 510 N PRO A 396 -7.921 -4.008 1.591 1.00 15.00 N ATOM 511 CA PRO A 396 -8.642 -3.547 2.772 1.00 15.00 C ATOM 512 C PRO A 396 -10.024 -3.009 2.407 1.00 15.00 C ATOM 513 O PRO A 396 -10.151 -2.092 1.593 1.00 15.00 O ATOM 514 CB PRO A 396 -7.741 -2.433 3.296 1.00 15.00 C ATOM 515 CG PRO A 396 -7.141 -1.840 2.066 1.00 15.00 C ATOM 516 CD PRO A 396 -6.998 -2.974 1.080 1.00 15.00 C ATOM 0 HA PRO A 396 -8.828 -4.337 3.499 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.309 -1.693 3.859 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.974 -2.823 3.965 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.777 -1.052 1.663 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.173 -1.389 2.284 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.267 -2.662 0.071 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.972 -3.340 1.038 1.00 15.00 H new ATOM 588 N GLU B 205 4.317 -12.709 -2.363 1.00 15.00 N ATOM 589 CA GLU B 205 5.379 -11.726 -2.460 1.00 15.00 C ATOM 590 C GLU B 205 5.926 -11.388 -1.084 1.00 15.00 C ATOM 591 O GLU B 205 5.196 -11.415 -0.090 1.00 15.00 O ATOM 592 CB GLU B 205 4.860 -10.456 -3.136 1.00 15.00 C ATOM 593 CG GLU B 205 4.502 -10.642 -4.600 1.00 15.00 C ATOM 594 CD GLU B 205 5.699 -11.028 -5.443 1.00 15.00 C ATOM 595 OE1 GLU B 205 6.451 -10.123 -5.860 1.00 15.00 O ATOM 596 OE2 GLU B 205 5.890 -12.234 -5.695 1.00 15.00 O1- ATOM 0 HA GLU B 205 6.184 -12.150 -3.060 1.00 15.00 H new ATOM 0 HB2 GLU B 205 3.980 -10.104 -2.599 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.617 -9.676 -3.053 1.00 15.00 H new ATOM 0 HG2 GLU B 205 3.735 -11.412 -4.689 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.072 -9.718 -4.986 1.00 15.00 H new ATOM 603 N SER B 206 7.215 -11.090 -1.037 1.00 15.00 N ATOM 604 CA SER B 206 7.845 -10.561 0.162 1.00 15.00 C ATOM 605 C SER B 206 7.117 -9.282 0.589 1.00 15.00 C ATOM 606 O SER B 206 6.703 -8.501 -0.267 1.00 15.00 O ATOM 607 CB SER B 206 9.321 -10.276 -0.132 1.00 15.00 C ATOM 608 OG SER B 206 10.032 -9.932 1.043 1.00 15.00 O ATOM 0 H SER B 206 7.851 -11.207 -1.825 1.00 15.00 H new ATOM 0 HA SER B 206 7.784 -11.285 0.975 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.777 -11.154 -0.589 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.398 -9.464 -0.855 1.00 15.00 H new ATOM 0 HG SER B 206 10.970 -9.759 0.819 1.00 15.00 H new ATOM 614 N PRO B 207 6.959 -9.053 1.907 1.00 15.00 N ATOM 615 CA PRO B 207 6.202 -7.906 2.440 1.00 15.00 C ATOM 616 C PRO B 207 6.596 -6.575 1.792 1.00 15.00 C ATOM 617 O PRO B 207 7.781 -6.336 1.536 1.00 15.00 O ATOM 618 CB PRO B 207 6.580 -7.904 3.918 1.00 15.00 C ATOM 619 CG PRO B 207 6.863 -9.329 4.229 1.00 15.00 C ATOM 620 CD PRO B 207 7.489 -9.905 2.991 1.00 15.00 C ATOM 0 HA PRO B 207 5.134 -8.003 2.247 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.451 -7.276 4.104 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.769 -7.516 4.535 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.535 -9.416 5.083 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.948 -9.861 4.488 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.577 -9.866 3.036 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.213 -10.950 2.851 1.00 15.00 H new ATOM 628 N PRO B 208 5.608 -5.690 1.534 1.00 15.00 N ATOM 629 CA PRO B 208 5.832 -4.408 0.847 1.00 15.00 C ATOM 630 C PRO B 208 6.979 -3.590 1.432 1.00 15.00 C ATOM 631 O PRO B 208 7.237 -3.620 2.637 1.00 15.00 O ATOM 632 CB PRO B 208 4.513 -3.670 1.051 1.00 15.00 C ATOM 633 CG PRO B 208 3.506 -4.749 1.140 1.00 15.00 C ATOM 634 CD PRO B 208 4.182 -5.862 1.889 1.00 15.00 C ATOM 0 HA PRO B 208 6.113 -4.566 -0.194 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.531 -3.065 1.958 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.302 -2.995 0.222 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.611 -4.410 1.662 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.192 -5.076 0.149 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.022 -5.780 2.964 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.806 -6.839 1.585 1.00 15.00 H new ATOM 642 N PRO B 209 7.658 -2.830 0.563 1.00 15.00 N ATOM 643 CA PRO B 209 8.785 -1.972 0.948 1.00 15.00 C ATOM 644 C PRO B 209 8.404 -0.972 2.046 1.00 15.00 C ATOM 645 O PRO B 209 7.285 -0.455 2.053 1.00 15.00 O ATOM 646 CB PRO B 209 9.123 -1.243 -0.358 1.00 15.00 C ATOM 647 CG PRO B 209 8.621 -2.142 -1.430 1.00 15.00 C ATOM 648 CD PRO B 209 7.369 -2.741 -0.880 1.00 15.00 C ATOM 0 HA PRO B 209 9.617 -2.540 1.364 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.642 -0.266 -0.403 1.00 15.00 H new ATOM 0 HB3 PRO B 209 10.196 -1.075 -0.452 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.423 -1.589 -2.348 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.353 -2.912 -1.673 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.499 -2.116 -1.081 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.165 -3.720 -1.313 1.00 15.00 H new ATOM 656 N PRO B 210 9.343 -0.680 2.970 1.00 15.00 N ATOM 657 CA PRO B 210 9.101 0.220 4.109 1.00 15.00 C ATOM 658 C PRO B 210 8.460 1.546 3.702 1.00 15.00 C ATOM 659 O PRO B 210 8.964 2.262 2.832 1.00 15.00 O ATOM 660 CB PRO B 210 10.500 0.465 4.673 1.00 15.00 C ATOM 661 CG PRO B 210 11.285 -0.738 4.289 1.00 15.00 C ATOM 662 CD PRO B 210 10.717 -1.219 2.981 1.00 15.00 C ATOM 0 HA PRO B 210 8.402 -0.221 4.820 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.940 1.372 4.258 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.473 0.590 5.755 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.343 -0.495 4.187 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.208 -1.512 5.053 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.297 -0.851 2.134 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.720 -2.307 2.921 1.00 15.00 H new ATOM 670 N TYR B 211 7.352 1.864 4.349 1.00 15.00 N ATOM 671 CA TYR B 211 6.600 3.069 4.052 1.00 15.00 C ATOM 672 C TYR B 211 6.894 4.158 5.081 1.00 15.00 C ATOM 673 O TYR B 211 6.768 3.933 6.286 1.00 15.00 O ATOM 674 CB TYR B 211 5.102 2.748 4.037 1.00 15.00 C ATOM 675 CG TYR B 211 4.223 3.975 4.023 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.076 4.738 2.874 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.556 4.381 5.172 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.295 5.875 2.874 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.768 5.511 5.171 1.00 15.00 C ATOM 680 CZ TYR B 211 2.643 6.251 4.029 1.00 15.00 C ATOM 681 OH TYR B 211 1.879 7.385 4.056 1.00 15.00 O ATOM 0 H TYR B 211 6.950 1.295 5.094 1.00 15.00 H new ATOM 0 HA TYR B 211 6.901 3.438 3.071 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.878 2.140 3.161 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.859 2.147 4.913 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.580 4.438 1.967 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.657 3.803 6.079 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.195 6.466 1.976 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.251 5.811 6.070 1.00 15.00 H new ATOM 0 HH TYR B 211 2.131 7.931 4.830 1.00 15.00 H new ATOM 691 N SER B 212 7.271 5.342 4.604 1.00 15.00 N ATOM 692 CA SER B 212 7.532 6.471 5.489 1.00 15.00 C ATOM 693 C SER B 212 6.447 7.545 5.320 1.00 15.00 C ATOM 694 O SER B 212 5.542 7.655 6.147 1.00 15.00 O ATOM 695 CB SER B 212 8.925 7.045 5.194 1.00 15.00 C ATOM 696 OG SER B 212 9.256 8.102 6.081 1.00 15.00 O ATOM 0 H SER B 212 7.402 5.543 3.613 1.00 15.00 H new ATOM 0 HA SER B 212 7.507 6.131 6.524 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.670 6.253 5.277 1.00 15.00 H new ATOM 0 HB3 SER B 212 8.959 7.408 4.167 1.00 15.00 H new ATOM 0 HG SER B 212 10.149 8.442 5.866 1.00 15.00 H new ATOM 702 N ARG B 213 6.510 8.300 4.226 1.00 15.00 N ATOM 703 CA ARG B 213 5.491 9.321 3.941 1.00 15.00 C ATOM 704 C ARG B 213 4.786 9.041 2.623 1.00 15.00 C ATOM 705 O ARG B 213 3.561 9.094 2.535 1.00 15.00 O ATOM 706 CB ARG B 213 6.089 10.729 3.894 1.00 15.00 C ATOM 707 CG ARG B 213 6.755 11.170 5.187 1.00 15.00 C ATOM 708 CD ARG B 213 5.829 11.013 6.384 1.00 15.00 C ATOM 709 NE ARG B 213 4.542 11.689 6.198 1.00 15.00 N ATOM 710 CZ ARG B 213 3.557 11.658 7.095 1.00 15.00 C ATOM 711 NH1 ARG B 213 3.726 11.014 8.245 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 2.408 12.275 6.848 1.00 15.00 N ATOM 0 H ARG B 213 7.247 8.230 3.524 1.00 15.00 H new ATOM 0 HA ARG B 213 4.771 9.273 4.758 1.00 15.00 H new ATOM 0 HB2 ARG B 213 6.822 10.773 3.088 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.299 11.438 3.646 1.00 15.00 H new ATOM 0 HG2 ARG B 213 7.659 10.583 5.348 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.062 12.212 5.100 1.00 15.00 H new ATOM 0 HD2 ARG B 213 5.654 9.953 6.566 1.00 15.00 H new ATOM 0 HD3 ARG B 213 6.319 11.412 7.272 1.00 15.00 H new ATOM 0 HE ARG B 213 4.392 12.212 5.335 1.00 15.00 H new ATOM 0 HH11 ARG B 213 4.610 10.544 8.441 1.00 15.00 H new ATOM 0 HH12 ARG B 213 2.972 10.990 8.932 1.00 15.00 H new ATOM 0 HH21 ARG B 213 2.276 12.775 5.969 1.00 15.00 H new ATOM 0 HH22 ARG B 213 1.657 12.249 7.537 1.00 15.00 H new ATOM 726 N TYR B 214 5.570 8.804 1.583 1.00 15.00 N ATOM 727 CA TYR B 214 5.034 8.450 0.285 1.00 15.00 C ATOM 728 C TYR B 214 5.321 6.982 0.007 1.00 15.00 C ATOM 729 O TYR B 214 6.156 6.380 0.685 1.00 15.00 O ATOM 730 CB TYR B 214 5.664 9.326 -0.801 1.00 15.00 C ATOM 731 CG TYR B 214 5.431 10.807 -0.602 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.156 11.352 -0.709 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.485 11.658 -0.304 1.00 15.00 C ATOM 734 CE1 TYR B 214 3.943 12.707 -0.529 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.280 13.012 -0.122 1.00 15.00 C ATOM 736 CZ TYR B 214 5.009 13.533 -0.236 1.00 15.00 C ATOM 737 OH TYR B 214 4.804 14.882 -0.053 1.00 15.00 O ATOM 0 H TYR B 214 6.588 8.852 1.617 1.00 15.00 H new ATOM 0 HA TYR B 214 3.957 8.615 0.280 1.00 15.00 H new ATOM 0 HB2 TYR B 214 6.737 9.137 -0.830 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.262 9.032 -1.771 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.320 10.708 -0.936 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.483 11.255 -0.213 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.947 13.116 -0.617 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.113 13.660 0.109 1.00 15.00 H new ATOM 0 HH TYR B 214 5.658 15.318 0.147 1.00 15.00 H new ATOM 747 N PRO B 215 4.650 6.382 -0.986 1.00 15.00 N ATOM 748 CA PRO B 215 4.913 4.999 -1.377 1.00 15.00 C ATOM 749 C PRO B 215 6.274 4.875 -2.046 1.00 15.00 C ATOM 750 O PRO B 215 6.520 5.473 -3.093 1.00 15.00 O ATOM 751 CB PRO B 215 3.794 4.669 -2.372 1.00 15.00 C ATOM 752 CG PRO B 215 2.802 5.777 -2.242 1.00 15.00 C ATOM 753 CD PRO B 215 3.578 6.978 -1.794 1.00 15.00 C ATOM 0 HA PRO B 215 4.929 4.323 -0.522 1.00 15.00 H new ATOM 0 HB2 PRO B 215 4.180 4.606 -3.389 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.338 3.706 -2.144 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.303 5.967 -3.192 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.026 5.523 -1.520 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.973 7.544 -2.638 1.00 15.00 H new ATOM 0 HD3 PRO B 215 2.963 7.663 -1.210 1.00 15.00 H new ATOM 761 N MET B 216 7.164 4.123 -1.420 1.00 15.00 N ATOM 762 CA MET B 216 8.535 4.021 -1.888 1.00 15.00 C ATOM 763 C MET B 216 8.858 2.599 -2.330 1.00 15.00 C ATOM 764 O MET B 216 9.096 1.720 -1.502 1.00 15.00 O ATOM 765 CB MET B 216 9.501 4.472 -0.788 1.00 15.00 C ATOM 766 CG MET B 216 9.360 5.942 -0.422 1.00 15.00 C ATOM 767 SD MET B 216 10.418 6.419 0.958 1.00 15.00 S ATOM 768 CE MET B 216 10.091 8.178 1.045 1.00 15.00 C ATOM 0 H MET B 216 6.961 3.574 -0.585 1.00 15.00 H new ATOM 0 HA MET B 216 8.652 4.676 -2.752 1.00 15.00 H new ATOM 0 HB2 MET B 216 9.333 3.866 0.103 1.00 15.00 H new ATOM 0 HB3 MET B 216 10.524 4.283 -1.114 1.00 15.00 H new ATOM 0 HG2 MET B 216 9.604 6.554 -1.290 1.00 15.00 H new ATOM 0 HG3 MET B 216 8.321 6.151 -0.167 1.00 15.00 H new ATOM 0 HE1 MET B 216 10.675 8.617 1.854 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.369 8.647 0.101 1.00 15.00 H new ATOM 0 HE3 MET B 216 9.030 8.342 1.233 1.00 15.00 H new ATOM 778 N ASP B 217 8.822 2.378 -3.637 1.00 15.00 N ATOM 779 CA ASP B 217 9.141 1.082 -4.218 1.00 15.00 C ATOM 780 C ASP B 217 10.167 1.257 -5.329 1.00 15.00 C ATOM 781 O ASP B 217 9.861 1.947 -6.327 1.00 15.00 O ATOM 782 CB ASP B 217 7.875 0.404 -4.761 1.00 15.00 C ATOM 783 CG ASP B 217 8.163 -0.909 -5.471 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.382 -1.932 -4.785 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 8.155 -0.924 -6.720 1.00 15.00 O ATOM 786 OXT ASP B 217 11.287 0.727 -5.197 1.00 15.00 O ATOM 0 H ASP B 217 8.571 3.090 -4.323 1.00 15.00 H new ATOM 0 HA ASP B 217 9.561 0.442 -3.442 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.185 0.222 -3.937 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.374 1.082 -5.452 1.00 15.00 H new