USER MOD reduce.3.24.130724 H: found=0, std=0, add=378, rem=0, adj=15 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 392 THR OG1 : rot 179:sc= 0.524 USER MOD Set 1.2: A 394 THR OG1 : rot 88:sc= 0.0834 USER MOD Set 2.1: A 385 ASN : amide:sc= -0.689! C(o=-2.2!,f=-14!) USER MOD Set 2.2: A 388 ASN : amide:sc= -1.55 K(o=-2.2,f=-11!) USER MOD Set 3.1: A 386 HIS : no HD1:sc= 1.92 K(o=3,f=-14!) USER MOD Set 3.2: B 211 TYR OH : rot -122:sc= 1.05 USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.24) USER MOD Single : A 378 LYS NZ :NH3+ 163:sc= 1.31 (180deg=0.207!) USER MOD Single : A 381 THR OG1 : rot 51:sc= 0.758 USER MOD Single : A 382 TYR OH : rot -164:sc= 1.11 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 387 ASN : amide:sc=-0.00497 X(o=-0.005,f=-0.42) USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 33:sc= 0.896 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 157:sc= -0.131 (180deg=-0.733) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -16.885 0.078 -5.432 1.00 15.00 N ATOM 2 CA PRO A 365 -15.480 0.021 -4.975 1.00 15.00 C ATOM 3 C PRO A 365 -15.384 0.296 -3.479 1.00 15.00 C ATOM 4 O PRO A 365 -15.806 1.353 -3.006 1.00 15.00 O ATOM 5 CB PRO A 365 -14.666 1.047 -5.752 1.00 15.00 C ATOM 6 CG PRO A 365 -15.689 1.781 -6.546 1.00 15.00 C ATOM 7 CD PRO A 365 -16.867 0.845 -6.690 1.00 15.00 C ATOM 0 HA PRO A 365 -15.085 -0.979 -5.157 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -14.122 1.715 -5.084 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -13.928 0.568 -6.395 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -15.984 2.702 -6.043 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -15.295 2.063 -7.522 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -17.797 1.396 -6.832 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -16.750 0.189 -7.553 1.00 15.00 H new ATOM 17 N GLY A 366 -14.833 -0.653 -2.737 1.00 15.00 N ATOM 18 CA GLY A 366 -14.662 -0.468 -1.311 1.00 15.00 C ATOM 19 C GLY A 366 -13.332 0.175 -0.993 1.00 15.00 C ATOM 20 O GLY A 366 -12.334 -0.515 -0.796 1.00 15.00 O ATOM 0 H GLY A 366 -14.501 -1.548 -3.097 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.470 0.153 -0.924 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -14.731 -1.432 -0.807 1.00 15.00 H new ATOM 24 N LEU A 367 -13.313 1.497 -0.953 1.00 15.00 N ATOM 25 CA LEU A 367 -12.077 2.231 -0.741 1.00 15.00 C ATOM 26 C LEU A 367 -12.241 3.206 0.425 1.00 15.00 C ATOM 27 O LEU A 367 -13.081 4.105 0.373 1.00 15.00 O ATOM 28 CB LEU A 367 -11.706 2.990 -2.022 1.00 15.00 C ATOM 29 CG LEU A 367 -10.206 3.232 -2.262 1.00 15.00 C ATOM 30 CD1 LEU A 367 -9.993 3.912 -3.603 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.586 4.070 -1.155 1.00 15.00 C ATOM 0 H LEU A 367 -14.140 2.084 -1.065 1.00 15.00 H new ATOM 0 HA LEU A 367 -11.278 1.531 -0.498 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -12.104 2.438 -2.874 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.210 3.956 -2.005 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.713 2.260 -2.263 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -8.927 4.078 -3.762 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.384 3.278 -4.399 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -10.515 4.869 -3.613 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.526 4.219 -1.361 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.086 5.038 -1.108 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.701 3.555 -0.201 1.00 15.00 H new ATOM 43 N PRO A 368 -11.447 3.045 1.492 1.00 15.00 N ATOM 44 CA PRO A 368 -11.462 3.960 2.623 1.00 15.00 C ATOM 45 C PRO A 368 -10.472 5.112 2.435 1.00 15.00 C ATOM 46 O PRO A 368 -9.339 4.913 1.991 1.00 15.00 O ATOM 47 CB PRO A 368 -11.040 3.063 3.788 1.00 15.00 C ATOM 48 CG PRO A 368 -10.219 1.965 3.185 1.00 15.00 C ATOM 49 CD PRO A 368 -10.504 1.934 1.701 1.00 15.00 C ATOM 0 HA PRO A 368 -12.430 4.440 2.767 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.463 3.624 4.523 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.910 2.660 4.306 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -9.158 2.138 3.366 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.468 1.007 3.642 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.593 2.069 1.118 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.938 0.981 1.398 1.00 15.00 H new ATOM 57 N SER A 369 -10.901 6.318 2.786 1.00 15.00 N ATOM 58 CA SER A 369 -10.080 7.503 2.590 1.00 15.00 C ATOM 59 C SER A 369 -8.893 7.491 3.547 1.00 15.00 C ATOM 60 O SER A 369 -9.050 7.294 4.751 1.00 15.00 O ATOM 61 CB SER A 369 -10.926 8.760 2.798 1.00 15.00 C ATOM 62 OG SER A 369 -12.041 8.769 1.920 1.00 15.00 O ATOM 0 H SER A 369 -11.812 6.500 3.207 1.00 15.00 H new ATOM 0 HA SER A 369 -9.695 7.504 1.570 1.00 15.00 H new ATOM 0 HB2 SER A 369 -11.271 8.805 3.831 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.316 9.647 2.627 1.00 15.00 H new ATOM 0 HG SER A 369 -12.570 9.580 2.071 1.00 15.00 H new ATOM 68 N GLY A 370 -7.708 7.710 2.996 1.00 15.00 N ATOM 69 CA GLY A 370 -6.491 7.573 3.764 1.00 15.00 C ATOM 70 C GLY A 370 -5.619 6.473 3.203 1.00 15.00 C ATOM 71 O GLY A 370 -4.451 6.338 3.565 1.00 15.00 O ATOM 0 H GLY A 370 -7.569 7.982 2.023 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.944 8.516 3.757 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.735 7.354 4.804 1.00 15.00 H new ATOM 75 N TRP A 371 -6.201 5.683 2.316 1.00 15.00 N ATOM 76 CA TRP A 371 -5.492 4.604 1.644 1.00 15.00 C ATOM 77 C TRP A 371 -5.260 4.952 0.181 1.00 15.00 C ATOM 78 O TRP A 371 -6.120 5.557 -0.463 1.00 15.00 O ATOM 79 CB TRP A 371 -6.310 3.316 1.691 1.00 15.00 C ATOM 80 CG TRP A 371 -6.433 2.671 3.038 1.00 15.00 C ATOM 81 CD1 TRP A 371 -7.174 3.101 4.102 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.813 1.447 3.447 1.00 15.00 C ATOM 83 NE1 TRP A 371 -7.076 2.202 5.135 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.236 1.184 4.761 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.940 0.546 2.827 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.822 0.057 5.466 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.528 -0.571 3.529 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.969 -0.807 4.836 1.00 15.00 C ATOM 0 H TRP A 371 -7.179 5.771 2.041 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.540 4.466 2.157 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.312 3.530 1.319 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.862 2.598 1.005 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.752 4.013 4.127 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.551 2.279 6.035 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.595 0.720 1.819 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -6.162 -0.128 6.474 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.854 -1.274 3.061 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.629 -1.689 5.358 1.00 15.00 H new ATOM 99 N GLU A 372 -4.114 4.553 -0.351 1.00 15.00 N ATOM 100 CA GLU A 372 -3.901 4.600 -1.787 1.00 15.00 C ATOM 101 C GLU A 372 -3.540 3.210 -2.294 1.00 15.00 C ATOM 102 O GLU A 372 -2.507 2.649 -1.919 1.00 15.00 O ATOM 103 CB GLU A 372 -2.814 5.597 -2.195 1.00 15.00 C ATOM 104 CG GLU A 372 -2.958 6.986 -1.604 1.00 15.00 C ATOM 105 CD GLU A 372 -1.813 7.888 -2.020 1.00 15.00 C ATOM 106 OE1 GLU A 372 -1.620 8.085 -3.239 1.00 15.00 O ATOM 107 OE2 GLU A 372 -1.103 8.407 -1.134 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.324 4.196 0.186 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.832 4.941 -2.240 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.845 5.193 -1.902 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.809 5.681 -3.282 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.903 7.424 -1.926 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.993 6.918 -0.517 1.00 15.00 H new ATOM 114 N GLU A 373 -4.401 2.657 -3.129 1.00 15.00 N ATOM 115 CA GLU A 373 -4.197 1.328 -3.690 1.00 15.00 C ATOM 116 C GLU A 373 -3.431 1.467 -4.979 1.00 15.00 C ATOM 117 O GLU A 373 -4.011 1.735 -6.030 1.00 15.00 O ATOM 118 CB GLU A 373 -5.537 0.681 -3.973 1.00 15.00 C ATOM 119 CG GLU A 373 -6.591 1.172 -3.023 1.00 15.00 C ATOM 120 CD GLU A 373 -7.989 0.839 -3.494 1.00 15.00 C ATOM 121 OE1 GLU A 373 -8.298 1.111 -4.672 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.770 0.281 -2.696 1.00 15.00 O ATOM 0 H GLU A 373 -5.260 3.112 -3.438 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.643 0.709 -2.984 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.839 0.898 -4.998 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.445 -0.402 -3.890 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -6.426 0.729 -2.041 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.497 2.252 -2.906 1.00 15.00 H new ATOM 129 N ARG A 374 -2.135 1.327 -4.901 1.00 15.00 N ATOM 130 CA ARG A 374 -1.295 1.777 -5.977 1.00 15.00 C ATOM 131 C ARG A 374 -0.599 0.636 -6.687 1.00 15.00 C ATOM 132 O ARG A 374 0.192 -0.106 -6.101 1.00 15.00 O ATOM 133 CB ARG A 374 -0.315 2.793 -5.425 1.00 15.00 C ATOM 134 CG ARG A 374 -1.026 4.025 -4.880 1.00 15.00 C ATOM 135 CD ARG A 374 -0.090 4.892 -4.058 1.00 15.00 C ATOM 136 NE ARG A 374 1.138 5.224 -4.783 1.00 15.00 N ATOM 137 CZ ARG A 374 1.720 6.422 -4.758 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.126 7.442 -4.144 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 2.880 6.608 -5.376 1.00 15.00 N ATOM 0 H ARG A 374 -1.642 0.909 -4.112 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.914 2.248 -6.741 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.277 2.334 -4.633 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.380 3.092 -6.210 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.431 4.608 -5.707 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.871 3.716 -4.265 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.603 5.811 -3.776 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.165 4.373 -3.134 1.00 15.00 H new ATOM 0 HE ARG A 374 1.575 4.492 -5.342 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.222 7.308 -3.691 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.574 8.358 -4.127 1.00 15.00 H new ATOM 0 HH21 ARG A 374 3.325 5.834 -5.869 1.00 15.00 H new ATOM 0 HH22 ARG A 374 3.326 7.525 -5.357 1.00 15.00 H new ATOM 153 N LYS A 375 -0.938 0.498 -7.958 1.00 15.00 N ATOM 154 CA LYS A 375 -0.332 -0.493 -8.820 1.00 15.00 C ATOM 155 C LYS A 375 0.820 0.148 -9.578 1.00 15.00 C ATOM 156 O LYS A 375 0.622 1.067 -10.377 1.00 15.00 O ATOM 157 CB LYS A 375 -1.360 -1.067 -9.805 1.00 15.00 C ATOM 158 CG LYS A 375 -2.377 -2.019 -9.181 1.00 15.00 C ATOM 159 CD LYS A 375 -3.347 -1.316 -8.238 1.00 15.00 C ATOM 160 CE LYS A 375 -4.246 -0.337 -8.976 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.205 0.333 -8.058 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.643 1.073 -8.419 1.00 15.00 H new ATOM 0 HA LYS A 375 0.040 -1.316 -8.209 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.895 -0.241 -10.273 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.829 -1.593 -10.598 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -2.941 -2.511 -9.974 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -1.848 -2.800 -8.634 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -3.961 -2.059 -7.728 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -2.785 -0.785 -7.469 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -3.633 0.415 -9.473 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -4.797 -0.865 -9.754 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -5.974 0.761 -8.612 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.601 -0.367 -7.399 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.711 1.074 -7.521 1.00 15.00 H new ATOM 175 N ASP A 376 2.017 -0.331 -9.312 1.00 15.00 N ATOM 176 CA ASP A 376 3.219 0.246 -9.888 1.00 15.00 C ATOM 177 C ASP A 376 3.543 -0.432 -11.211 1.00 15.00 C ATOM 178 O ASP A 376 3.247 -1.611 -11.389 1.00 15.00 O ATOM 179 CB ASP A 376 4.384 0.101 -8.919 1.00 15.00 C ATOM 180 CG ASP A 376 5.393 1.213 -9.083 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.959 1.355 -10.187 1.00 15.00 O1- ATOM 182 OD2 ASP A 376 5.625 1.952 -8.113 1.00 15.00 O ATOM 0 H ASP A 376 2.187 -1.126 -8.695 1.00 15.00 H new ATOM 0 HA ASP A 376 3.049 1.307 -10.073 1.00 15.00 H new ATOM 0 HB2 ASP A 376 4.008 0.100 -7.896 1.00 15.00 H new ATOM 0 HB3 ASP A 376 4.873 -0.860 -9.080 1.00 15.00 H new ATOM 187 N ALA A 377 4.173 0.313 -12.118 1.00 15.00 N ATOM 188 CA ALA A 377 4.364 -0.109 -13.509 1.00 15.00 C ATOM 189 C ALA A 377 5.158 -1.414 -13.646 1.00 15.00 C ATOM 190 O ALA A 377 5.038 -2.108 -14.653 1.00 15.00 O ATOM 191 CB ALA A 377 5.043 0.997 -14.301 1.00 15.00 C ATOM 0 H ALA A 377 4.568 1.230 -11.910 1.00 15.00 H new ATOM 0 HA ALA A 377 3.370 -0.305 -13.912 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.180 0.674 -15.333 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.422 1.893 -14.281 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.014 1.218 -13.858 1.00 15.00 H new ATOM 197 N LYS A 378 5.964 -1.753 -12.641 1.00 15.00 N ATOM 198 CA LYS A 378 6.698 -3.025 -12.650 1.00 15.00 C ATOM 199 C LYS A 378 5.728 -4.182 -12.448 1.00 15.00 C ATOM 200 O LYS A 378 6.065 -5.345 -12.663 1.00 15.00 O ATOM 201 CB LYS A 378 7.775 -3.103 -11.559 1.00 15.00 C ATOM 202 CG LYS A 378 8.625 -1.859 -11.392 1.00 15.00 C ATOM 203 CD LYS A 378 7.939 -0.861 -10.483 1.00 15.00 C ATOM 204 CE LYS A 378 8.940 0.066 -9.811 1.00 15.00 C ATOM 205 NZ LYS A 378 8.314 0.866 -8.728 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.127 -1.174 -11.817 1.00 15.00 H new ATOM 0 HA LYS A 378 7.194 -3.089 -13.619 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.289 -3.320 -10.608 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.432 -3.944 -11.781 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.596 -2.129 -10.977 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.809 -1.405 -12.366 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.227 -0.271 -11.061 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.368 -1.394 -9.722 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.760 -0.522 -9.400 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.370 0.736 -10.555 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.056 1.260 -8.114 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 7.761 1.642 -9.145 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.686 0.257 -8.165 1.00 15.00 H new ATOM 219 N GLY A 379 4.530 -3.836 -12.011 1.00 15.00 N ATOM 220 CA GLY A 379 3.554 -4.815 -11.605 1.00 15.00 C ATOM 221 C GLY A 379 3.663 -5.129 -10.131 1.00 15.00 C ATOM 222 O GLY A 379 3.819 -6.282 -9.734 1.00 15.00 O ATOM 0 H GLY A 379 4.213 -2.870 -11.930 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.553 -4.445 -11.826 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.691 -5.729 -12.184 1.00 15.00 H new ATOM 226 N ARG A 380 3.588 -4.079 -9.323 1.00 15.00 N ATOM 227 CA ARG A 380 3.642 -4.205 -7.873 1.00 15.00 C ATOM 228 C ARG A 380 2.400 -3.562 -7.265 1.00 15.00 C ATOM 229 O ARG A 380 2.197 -2.354 -7.386 1.00 15.00 O ATOM 230 CB ARG A 380 4.905 -3.525 -7.323 1.00 15.00 C ATOM 231 CG ARG A 380 6.192 -3.954 -8.018 1.00 15.00 C ATOM 232 CD ARG A 380 6.472 -5.438 -7.833 1.00 15.00 C ATOM 233 NE ARG A 380 6.749 -5.772 -6.438 1.00 15.00 N ATOM 234 CZ ARG A 380 6.814 -7.016 -5.966 1.00 15.00 C ATOM 235 NH1 ARG A 380 6.629 -8.052 -6.771 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 7.072 -7.223 -4.681 1.00 15.00 N ATOM 0 H ARG A 380 3.488 -3.119 -9.653 1.00 15.00 H new ATOM 0 HA ARG A 380 3.675 -5.262 -7.608 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.795 -2.445 -7.419 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.989 -3.744 -6.258 1.00 15.00 H new ATOM 0 HG2 ARG A 380 6.122 -3.728 -9.082 1.00 15.00 H new ATOM 0 HG3 ARG A 380 7.027 -3.375 -7.624 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.615 -6.015 -8.181 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.322 -5.726 -8.451 1.00 15.00 H new ATOM 0 HE ARG A 380 6.902 -5.004 -5.784 1.00 15.00 H new ATOM 0 HH11 ARG A 380 6.435 -7.900 -7.761 1.00 15.00 H new ATOM 0 HH12 ARG A 380 6.681 -9.001 -6.401 1.00 15.00 H new ATOM 0 HH21 ARG A 380 7.220 -6.430 -4.056 1.00 15.00 H new ATOM 0 HH22 ARG A 380 7.122 -8.175 -4.318 1.00 15.00 H new ATOM 250 N THR A 381 1.557 -4.367 -6.636 1.00 15.00 N ATOM 251 CA THR A 381 0.301 -3.871 -6.093 1.00 15.00 C ATOM 252 C THR A 381 0.377 -3.694 -4.576 1.00 15.00 C ATOM 253 O THR A 381 0.079 -4.620 -3.826 1.00 15.00 O ATOM 254 CB THR A 381 -0.858 -4.829 -6.440 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.581 -6.142 -5.932 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.064 -4.908 -7.944 1.00 15.00 C ATOM 0 H THR A 381 1.719 -5.363 -6.489 1.00 15.00 H new ATOM 0 HA THR A 381 0.115 -2.897 -6.547 1.00 15.00 H new ATOM 0 HB THR A 381 -1.766 -4.440 -5.979 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.341 -6.082 -4.984 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.886 -5.589 -8.163 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.301 -3.917 -8.331 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.153 -5.274 -8.417 1.00 15.00 H new ATOM 264 N TYR A 382 0.784 -2.514 -4.124 1.00 15.00 N ATOM 265 CA TYR A 382 0.902 -2.257 -2.700 1.00 15.00 C ATOM 266 C TYR A 382 -0.154 -1.264 -2.225 1.00 15.00 C ATOM 267 O TYR A 382 -0.334 -0.188 -2.804 1.00 15.00 O ATOM 268 CB TYR A 382 2.319 -1.779 -2.348 1.00 15.00 C ATOM 269 CG TYR A 382 2.881 -0.687 -3.241 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.596 0.654 -3.010 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.721 -1.003 -4.300 1.00 15.00 C ATOM 272 CE1 TYR A 382 3.127 1.645 -3.813 1.00 15.00 C ATOM 273 CE2 TYR A 382 4.262 -0.018 -5.104 1.00 15.00 C ATOM 274 CZ TYR A 382 3.961 1.304 -4.856 1.00 15.00 C ATOM 275 OH TYR A 382 4.501 2.291 -5.651 1.00 15.00 O ATOM 0 H TYR A 382 1.036 -1.726 -4.721 1.00 15.00 H new ATOM 0 HA TYR A 382 0.724 -3.195 -2.174 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.317 -1.418 -1.320 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.992 -2.636 -2.384 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.949 0.926 -2.189 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.956 -2.038 -4.499 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.890 2.682 -3.624 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.916 -0.282 -5.921 1.00 15.00 H new ATOM 0 HH TYR A 382 4.850 1.892 -6.475 1.00 15.00 H new ATOM 285 N TYR A 383 -0.862 -1.647 -1.176 1.00 15.00 N ATOM 286 CA TYR A 383 -1.872 -0.795 -0.569 1.00 15.00 C ATOM 287 C TYR A 383 -1.274 -0.090 0.639 1.00 15.00 C ATOM 288 O TYR A 383 -0.869 -0.741 1.603 1.00 15.00 O ATOM 289 CB TYR A 383 -3.080 -1.632 -0.134 1.00 15.00 C ATOM 290 CG TYR A 383 -3.678 -2.476 -1.240 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.088 -3.676 -1.621 1.00 15.00 C ATOM 292 CD2 TYR A 383 -4.830 -2.076 -1.903 1.00 15.00 C ATOM 293 CE1 TYR A 383 -3.624 -4.449 -2.630 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.373 -2.844 -2.917 1.00 15.00 C ATOM 295 CZ TYR A 383 -4.767 -4.029 -3.277 1.00 15.00 C ATOM 296 OH TYR A 383 -5.305 -4.790 -4.290 1.00 15.00 O ATOM 0 H TYR A 383 -0.754 -2.554 -0.722 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.203 -0.056 -1.299 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.780 -2.285 0.685 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.849 -0.965 0.256 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.193 -4.009 -1.117 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.310 -1.150 -1.623 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.151 -5.378 -2.912 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.268 -2.517 -3.425 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.109 -4.351 -4.637 1.00 15.00 H new ATOM 306 N VAL A 384 -1.185 1.231 0.581 1.00 15.00 N ATOM 307 CA VAL A 384 -0.617 1.989 1.686 1.00 15.00 C ATOM 308 C VAL A 384 -1.682 2.767 2.443 1.00 15.00 C ATOM 309 O VAL A 384 -2.552 3.408 1.851 1.00 15.00 O ATOM 310 CB VAL A 384 0.492 2.962 1.232 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.747 2.211 0.829 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.016 3.831 0.092 1.00 15.00 C ATOM 0 H VAL A 384 -1.495 1.795 -0.210 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.173 1.247 2.350 1.00 15.00 H new ATOM 0 HB VAL A 384 0.733 3.604 2.079 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.511 2.922 0.514 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.115 1.635 1.678 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.518 1.535 0.005 1.00 15.00 H new ATOM 0 HG21 VAL A 384 0.816 4.507 -0.209 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.264 3.202 -0.753 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.848 4.412 0.414 1.00 15.00 H new ATOM 322 N ASN A 385 -1.601 2.695 3.758 1.00 15.00 N ATOM 323 CA ASN A 385 -2.509 3.405 4.638 1.00 15.00 C ATOM 324 C ASN A 385 -1.798 4.581 5.296 1.00 15.00 C ATOM 325 O ASN A 385 -0.729 4.420 5.884 1.00 15.00 O ATOM 326 CB ASN A 385 -3.048 2.450 5.707 1.00 15.00 C ATOM 327 CG ASN A 385 -3.768 3.174 6.824 1.00 15.00 C ATOM 328 OD1 ASN A 385 -3.165 3.534 7.824 1.00 15.00 O ATOM 329 ND2 ASN A 385 -5.056 3.407 6.657 1.00 15.00 N ATOM 0 H ASN A 385 -0.900 2.139 4.248 1.00 15.00 H new ATOM 0 HA ASN A 385 -3.342 3.789 4.050 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.729 1.738 5.242 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.222 1.875 6.125 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -5.582 3.903 7.376 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -5.526 3.091 5.808 1.00 15.00 H new ATOM 336 N HIS A 386 -2.393 5.761 5.195 1.00 15.00 N ATOM 337 CA HIS A 386 -1.831 6.961 5.805 1.00 15.00 C ATOM 338 C HIS A 386 -2.345 7.146 7.233 1.00 15.00 C ATOM 339 O HIS A 386 -1.811 7.955 7.988 1.00 15.00 O ATOM 340 CB HIS A 386 -2.152 8.208 4.971 1.00 15.00 C ATOM 341 CG HIS A 386 -1.517 8.222 3.610 1.00 15.00 C ATOM 342 ND1 HIS A 386 -0.154 8.302 3.412 1.00 15.00 N ATOM 343 CD2 HIS A 386 -2.068 8.180 2.372 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.105 8.315 2.119 1.00 15.00 C ATOM 345 NE2 HIS A 386 -1.037 8.238 1.466 1.00 15.00 N ATOM 0 H HIS A 386 -3.268 5.915 4.695 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.749 6.832 5.837 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -3.233 8.285 4.855 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.826 9.092 5.520 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -3.121 8.113 2.141 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.086 8.378 1.672 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -1.139 8.224 0.451 1.00 15.00 H new ATOM 354 N ASN A 387 -3.406 6.417 7.581 1.00 15.00 N ATOM 355 CA ASN A 387 -4.038 6.536 8.898 1.00 15.00 C ATOM 356 C ASN A 387 -3.076 6.129 10.024 1.00 15.00 C ATOM 357 O ASN A 387 -2.675 6.956 10.845 1.00 15.00 O ATOM 358 CB ASN A 387 -5.310 5.681 8.966 1.00 15.00 C ATOM 359 CG ASN A 387 -5.944 5.674 10.350 1.00 15.00 C ATOM 360 OD1 ASN A 387 -5.859 6.648 11.097 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.587 4.573 10.703 1.00 15.00 N ATOM 0 H ASN A 387 -3.849 5.734 6.966 1.00 15.00 H new ATOM 0 HA ASN A 387 -4.303 7.584 9.039 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -6.033 6.056 8.242 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.070 4.658 8.676 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.032 4.514 11.619 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -6.638 3.784 10.059 1.00 15.00 H new ATOM 368 N ASN A 388 -2.719 4.851 10.056 1.00 15.00 N ATOM 369 CA ASN A 388 -1.805 4.322 11.065 1.00 15.00 C ATOM 370 C ASN A 388 -0.407 4.166 10.480 1.00 15.00 C ATOM 371 O ASN A 388 0.560 3.936 11.208 1.00 15.00 O ATOM 372 CB ASN A 388 -2.312 2.995 11.656 1.00 15.00 C ATOM 373 CG ASN A 388 -2.545 1.901 10.628 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.855 1.808 9.617 1.00 15.00 O ATOM 375 ND2 ASN A 388 -3.538 1.065 10.883 1.00 15.00 N ATOM 0 H ASN A 388 -3.051 4.155 9.389 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.760 5.038 11.886 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -1.590 2.639 12.391 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.244 3.181 12.189 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -3.752 0.312 10.229 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -4.090 1.173 11.734 1.00 15.00 H new ATOM 382 N ARG A 389 -0.340 4.231 9.147 1.00 15.00 N ATOM 383 CA ARG A 389 0.920 4.223 8.405 1.00 15.00 C ATOM 384 C ARG A 389 1.480 2.816 8.251 1.00 15.00 C ATOM 385 O ARG A 389 2.474 2.451 8.879 1.00 15.00 O ATOM 386 CB ARG A 389 1.955 5.155 9.042 1.00 15.00 C ATOM 387 CG ARG A 389 1.605 6.629 8.924 1.00 15.00 C ATOM 388 CD ARG A 389 2.479 7.476 9.833 1.00 15.00 C ATOM 389 NE ARG A 389 3.868 7.024 9.827 1.00 15.00 N ATOM 390 CZ ARG A 389 4.624 6.937 10.918 1.00 15.00 C ATOM 391 NH1 ARG A 389 4.165 7.378 12.085 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 5.843 6.427 10.834 1.00 15.00 N ATOM 0 H ARG A 389 -1.165 4.291 8.550 1.00 15.00 H new ATOM 0 HA ARG A 389 0.699 4.600 7.406 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.061 4.899 10.096 1.00 15.00 H new ATOM 0 HB3 ARG A 389 2.924 4.982 8.573 1.00 15.00 H new ATOM 0 HG2 ARG A 389 1.729 6.953 7.891 1.00 15.00 H new ATOM 0 HG3 ARG A 389 0.556 6.778 9.181 1.00 15.00 H new ATOM 0 HD2 ARG A 389 2.434 8.517 9.513 1.00 15.00 H new ATOM 0 HD3 ARG A 389 2.089 7.438 10.850 1.00 15.00 H new ATOM 0 HE ARG A 389 4.283 6.759 8.933 1.00 15.00 H new ATOM 0 HH11 ARG A 389 3.231 7.784 12.145 1.00 15.00 H new ATOM 0 HH12 ARG A 389 4.747 7.310 12.920 1.00 15.00 H new ATOM 0 HH21 ARG A 389 6.199 6.103 9.935 1.00 15.00 H new ATOM 0 HH22 ARG A 389 6.426 6.359 11.668 1.00 15.00 H new ATOM 406 N THR A 390 0.809 2.016 7.437 1.00 15.00 N ATOM 407 CA THR A 390 1.252 0.664 7.148 1.00 15.00 C ATOM 408 C THR A 390 0.839 0.278 5.729 1.00 15.00 C ATOM 409 O THR A 390 -0.148 0.793 5.205 1.00 15.00 O ATOM 410 CB THR A 390 0.678 -0.355 8.164 1.00 15.00 C ATOM 411 OG1 THR A 390 1.381 -1.602 8.062 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.810 -0.595 7.938 1.00 15.00 C ATOM 0 H THR A 390 -0.052 2.285 6.962 1.00 15.00 H new ATOM 0 HA THR A 390 2.338 0.640 7.233 1.00 15.00 H new ATOM 0 HB THR A 390 0.810 0.065 9.161 1.00 15.00 H new ATOM 0 HG1 THR A 390 1.012 -2.239 8.709 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.178 -1.315 8.669 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.351 0.344 8.050 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.967 -0.986 6.933 1.00 15.00 H new ATOM 420 N THR A 391 1.615 -0.583 5.092 1.00 15.00 N ATOM 421 CA THR A 391 1.281 -1.054 3.760 1.00 15.00 C ATOM 422 C THR A 391 1.191 -2.579 3.746 1.00 15.00 C ATOM 423 O THR A 391 1.931 -3.263 4.457 1.00 15.00 O ATOM 424 CB THR A 391 2.288 -0.548 2.702 1.00 15.00 C ATOM 425 OG1 THR A 391 1.928 -1.033 1.403 1.00 15.00 O ATOM 426 CG2 THR A 391 3.713 -0.968 3.028 1.00 15.00 C ATOM 0 H THR A 391 2.478 -0.969 5.475 1.00 15.00 H new ATOM 0 HA THR A 391 0.307 -0.644 3.495 1.00 15.00 H new ATOM 0 HB THR A 391 2.248 0.541 2.711 1.00 15.00 H new ATOM 0 HG1 THR A 391 0.953 -1.107 1.340 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.388 -0.592 2.259 1.00 15.00 H new ATOM 0 HG22 THR A 391 4.001 -0.558 3.996 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.773 -2.056 3.063 1.00 15.00 H new ATOM 434 N THR A 392 0.260 -3.102 2.962 1.00 15.00 N ATOM 435 CA THR A 392 -0.034 -4.523 2.965 1.00 15.00 C ATOM 436 C THR A 392 -0.523 -4.983 1.595 1.00 15.00 C ATOM 437 O THR A 392 -1.084 -4.191 0.834 1.00 15.00 O ATOM 438 CB THR A 392 -1.087 -4.869 4.041 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.369 -6.273 4.026 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.376 -4.080 3.827 1.00 15.00 C ATOM 0 H THR A 392 -0.307 -2.557 2.312 1.00 15.00 H new ATOM 0 HA THR A 392 0.892 -5.048 3.201 1.00 15.00 H new ATOM 0 HB THR A 392 -0.675 -4.595 5.012 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.024 -6.482 4.724 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.097 -4.345 4.600 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.162 -3.012 3.881 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.790 -4.318 2.847 1.00 15.00 H new ATOM 448 N TRP A 393 -0.254 -6.243 1.261 1.00 15.00 N ATOM 449 CA TRP A 393 -0.792 -6.837 0.043 1.00 15.00 C ATOM 450 C TRP A 393 -2.272 -7.159 0.232 1.00 15.00 C ATOM 451 O TRP A 393 -3.004 -7.374 -0.733 1.00 15.00 O ATOM 452 CB TRP A 393 -0.066 -8.134 -0.326 1.00 15.00 C ATOM 453 CG TRP A 393 1.430 -8.042 -0.368 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.309 -8.731 0.418 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.226 -7.230 -1.241 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.596 -8.405 0.081 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.573 -7.485 -0.928 1.00 15.00 C ATOM 458 CE3 TRP A 393 1.937 -6.316 -2.257 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.625 -6.860 -1.589 1.00 15.00 C ATOM 460 CZ3 TRP A 393 2.983 -5.694 -2.914 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.314 -5.970 -2.577 1.00 15.00 C ATOM 0 H TRP A 393 0.331 -6.869 1.815 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.651 -6.112 -0.758 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.346 -8.905 0.392 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.421 -8.464 -1.302 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.030 -9.431 1.192 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.436 -8.788 0.514 1.00 15.00 H new ATOM 0 HE3 TRP A 393 0.914 -6.099 -2.525 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.652 -7.071 -1.330 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 2.770 -4.984 -3.700 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.110 -5.469 -3.109 1.00 15.00 H new ATOM 472 N THR A 394 -2.690 -7.218 1.490 1.00 15.00 N ATOM 473 CA THR A 394 -4.049 -7.598 1.835 1.00 15.00 C ATOM 474 C THR A 394 -5.043 -6.512 1.426 1.00 15.00 C ATOM 475 O THR A 394 -4.771 -5.322 1.586 1.00 15.00 O ATOM 476 CB THR A 394 -4.162 -7.862 3.352 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.146 -8.792 3.759 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.530 -8.418 3.716 1.00 15.00 C ATOM 0 H THR A 394 -2.099 -7.005 2.293 1.00 15.00 H new ATOM 0 HA THR A 394 -4.290 -8.511 1.291 1.00 15.00 H new ATOM 0 HB THR A 394 -4.028 -6.913 3.870 1.00 15.00 H new ATOM 0 HG1 THR A 394 -2.327 -8.303 3.986 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.577 -8.593 4.791 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.301 -7.703 3.431 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.693 -9.357 3.188 1.00 15.00 H new ATOM 486 N ARG A 395 -6.183 -6.930 0.884 1.00 15.00 N ATOM 487 CA ARG A 395 -7.236 -5.999 0.507 1.00 15.00 C ATOM 488 C ARG A 395 -7.906 -5.405 1.740 1.00 15.00 C ATOM 489 O ARG A 395 -8.537 -6.121 2.516 1.00 15.00 O ATOM 490 CB ARG A 395 -8.295 -6.689 -0.358 1.00 15.00 C ATOM 491 CG ARG A 395 -8.125 -6.452 -1.852 1.00 15.00 C ATOM 492 CD ARG A 395 -8.045 -4.968 -2.169 1.00 15.00 C ATOM 493 NE ARG A 395 -9.056 -4.189 -1.449 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.305 -2.902 -1.685 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.767 -2.305 -2.735 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -10.125 -2.224 -0.893 1.00 15.00 N ATOM 0 H ARG A 395 -6.399 -7.909 0.697 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.770 -5.199 -0.068 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -8.265 -7.761 -0.165 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -9.282 -6.338 -0.055 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -7.220 -6.950 -2.201 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -8.962 -6.897 -2.391 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.053 -4.597 -1.912 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -8.172 -4.821 -3.241 1.00 15.00 H new ATOM 0 HE ARG A 395 -9.600 -4.659 -0.726 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.161 -2.830 -3.365 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.958 -1.319 -2.915 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.568 -2.688 -0.100 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -10.313 -1.239 -1.077 1.00 15.00 H new ATOM 510 N PRO A 396 -7.770 -4.089 1.943 1.00 15.00 N ATOM 511 CA PRO A 396 -8.399 -3.411 3.067 1.00 15.00 C ATOM 512 C PRO A 396 -9.912 -3.328 2.919 1.00 15.00 C ATOM 513 O PRO A 396 -10.433 -2.636 2.042 1.00 15.00 O ATOM 514 CB PRO A 396 -7.778 -2.016 3.064 1.00 15.00 C ATOM 515 CG PRO A 396 -7.237 -1.813 1.688 1.00 15.00 C ATOM 516 CD PRO A 396 -6.975 -3.174 1.105 1.00 15.00 C ATOM 0 HA PRO A 396 -8.233 -3.949 4.000 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.521 -1.257 3.308 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -6.987 -1.939 3.810 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.948 -1.262 1.073 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.320 -1.225 1.719 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.281 -3.225 0.060 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.915 -3.424 1.139 1.00 15.00 H new ATOM 524 N ILE A 397 -10.606 -4.108 3.726 1.00 15.00 N ATOM 525 CA ILE A 397 -12.055 -4.033 3.805 1.00 15.00 C ATOM 526 C ILE A 397 -12.465 -3.025 4.877 1.00 15.00 C ATOM 527 O ILE A 397 -13.542 -2.430 4.819 1.00 15.00 O ATOM 528 CB ILE A 397 -12.671 -5.421 4.105 1.00 15.00 C ATOM 529 CG1 ILE A 397 -14.203 -5.345 4.147 1.00 15.00 C ATOM 530 CG2 ILE A 397 -12.123 -5.978 5.413 1.00 15.00 C ATOM 531 CD1 ILE A 397 -14.877 -6.688 4.348 1.00 15.00 C ATOM 0 H ILE A 397 -10.187 -4.806 4.341 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.435 -3.702 2.839 1.00 15.00 H new ATOM 0 HB ILE A 397 -12.390 -6.098 3.298 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -14.502 -4.675 4.953 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -14.561 -4.905 3.216 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -12.567 -6.954 5.607 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -11.040 -6.080 5.340 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -12.369 -5.299 6.229 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -15.958 -6.553 4.367 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -14.609 -7.356 3.529 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.549 -7.122 5.293 1.00 15.00 H new ATOM 543 N GLY A 398 -11.583 -2.831 5.849 1.00 15.00 N ATOM 544 CA GLY A 398 -11.856 -1.921 6.937 1.00 15.00 C ATOM 545 C GLY A 398 -11.388 -0.516 6.636 1.00 15.00 C ATOM 546 O GLY A 398 -10.392 -0.367 5.901 1.00 15.00 O ATOM 547 OXT GLY A 398 -12.018 0.443 7.131 1.00 15.00 O ATOM 0 H GLY A 398 -10.676 -3.294 5.900 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -12.927 -1.910 7.139 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -11.364 -2.280 7.841 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 -0.126 -13.134 -4.982 1.00 15.00 N ATOM 553 CA GLU B 203 1.151 -12.412 -4.787 1.00 15.00 C ATOM 554 C GLU B 203 2.131 -13.247 -3.954 1.00 15.00 C ATOM 555 O GLU B 203 3.140 -13.715 -4.481 1.00 15.00 O ATOM 556 CB GLU B 203 0.922 -11.010 -4.164 1.00 15.00 C ATOM 557 CG GLU B 203 0.268 -10.986 -2.783 1.00 15.00 C ATOM 558 CD GLU B 203 -1.037 -11.746 -2.723 1.00 15.00 C ATOM 559 OE1 GLU B 203 -2.088 -11.172 -3.059 1.00 15.00 O1- ATOM 560 OE2 GLU B 203 -0.995 -12.946 -2.385 1.00 15.00 O ATOM 0 HA GLU B 203 1.599 -12.257 -5.768 1.00 15.00 H new ATOM 0 HB2 GLU B 203 1.885 -10.503 -4.096 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.303 -10.428 -4.847 1.00 15.00 H new ATOM 0 HG2 GLU B 203 0.960 -11.409 -2.054 1.00 15.00 H new ATOM 0 HG3 GLU B 203 0.091 -9.951 -2.491 1.00 15.00 H new ATOM 569 N LEU B 204 1.818 -13.459 -2.667 1.00 15.00 N ATOM 570 CA LEU B 204 2.715 -14.170 -1.743 1.00 15.00 C ATOM 571 C LEU B 204 4.079 -13.484 -1.670 1.00 15.00 C ATOM 572 O LEU B 204 5.063 -14.075 -1.229 1.00 15.00 O ATOM 573 CB LEU B 204 2.889 -15.640 -2.161 1.00 15.00 C ATOM 574 CG LEU B 204 1.728 -16.580 -1.810 1.00 15.00 C ATOM 575 CD1 LEU B 204 0.483 -16.253 -2.623 1.00 15.00 C ATOM 576 CD2 LEU B 204 2.139 -18.028 -2.027 1.00 15.00 C ATOM 0 H LEU B 204 0.946 -13.146 -2.241 1.00 15.00 H new ATOM 0 HA LEU B 204 2.256 -14.143 -0.755 1.00 15.00 H new ATOM 0 HB2 LEU B 204 3.045 -15.675 -3.239 1.00 15.00 H new ATOM 0 HB3 LEU B 204 3.796 -16.025 -1.695 1.00 15.00 H new ATOM 0 HG LEU B 204 1.485 -16.435 -0.757 1.00 15.00 H new ATOM 0 HD11 LEU B 204 -0.320 -16.937 -2.350 1.00 15.00 H new ATOM 0 HD12 LEU B 204 0.173 -15.229 -2.417 1.00 15.00 H new ATOM 0 HD13 LEU B 204 0.704 -16.359 -3.685 1.00 15.00 H new ATOM 0 HD21 LEU B 204 1.306 -18.684 -1.774 1.00 15.00 H new ATOM 0 HD22 LEU B 204 2.413 -18.176 -3.071 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.992 -18.263 -1.391 1.00 15.00 H new ATOM 588 N GLU B 205 4.106 -12.217 -2.056 1.00 15.00 N ATOM 589 CA GLU B 205 5.339 -11.450 -2.126 1.00 15.00 C ATOM 590 C GLU B 205 5.821 -11.051 -0.740 1.00 15.00 C ATOM 591 O GLU B 205 5.025 -10.912 0.190 1.00 15.00 O ATOM 592 CB GLU B 205 5.109 -10.192 -2.961 1.00 15.00 C ATOM 593 CG GLU B 205 4.833 -10.472 -4.427 1.00 15.00 C ATOM 594 CD GLU B 205 6.042 -11.033 -5.141 1.00 15.00 C ATOM 595 OE1 GLU B 205 7.021 -10.281 -5.327 1.00 15.00 O ATOM 596 OE2 GLU B 205 6.014 -12.214 -5.538 1.00 15.00 O1- ATOM 0 H GLU B 205 3.275 -11.693 -2.329 1.00 15.00 H new ATOM 0 HA GLU B 205 6.103 -12.075 -2.588 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.269 -9.638 -2.542 1.00 15.00 H new ATOM 0 HB3 GLU B 205 5.986 -9.549 -2.882 1.00 15.00 H new ATOM 0 HG2 GLU B 205 4.005 -11.176 -4.511 1.00 15.00 H new ATOM 0 HG3 GLU B 205 4.519 -9.551 -4.918 1.00 15.00 H new ATOM 603 N SER B 206 7.128 -10.863 -0.616 1.00 15.00 N ATOM 604 CA SER B 206 7.719 -10.311 0.592 1.00 15.00 C ATOM 605 C SER B 206 7.079 -8.957 0.910 1.00 15.00 C ATOM 606 O SER B 206 6.676 -8.237 -0.001 1.00 15.00 O ATOM 607 CB SER B 206 9.231 -10.169 0.397 1.00 15.00 C ATOM 608 OG SER B 206 9.529 -9.527 -0.834 1.00 15.00 O ATOM 0 H SER B 206 7.804 -11.088 -1.346 1.00 15.00 H new ATOM 0 HA SER B 206 7.536 -10.980 1.433 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.655 -9.596 1.222 1.00 15.00 H new ATOM 0 HB3 SER B 206 9.698 -11.154 0.420 1.00 15.00 H new ATOM 0 HG SER B 206 10.501 -9.447 -0.934 1.00 15.00 H new ATOM 614 N PRO B 207 7.013 -8.585 2.201 1.00 15.00 N ATOM 615 CA PRO B 207 6.304 -7.378 2.656 1.00 15.00 C ATOM 616 C PRO B 207 6.659 -6.125 1.851 1.00 15.00 C ATOM 617 O PRO B 207 7.831 -5.884 1.548 1.00 15.00 O ATOM 618 CB PRO B 207 6.784 -7.228 4.097 1.00 15.00 C ATOM 619 CG PRO B 207 7.067 -8.617 4.533 1.00 15.00 C ATOM 620 CD PRO B 207 7.611 -9.324 3.327 1.00 15.00 C ATOM 0 HA PRO B 207 5.225 -7.479 2.541 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.675 -6.603 4.157 1.00 15.00 H new ATOM 0 HB3 PRO B 207 6.024 -6.761 4.723 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.787 -8.630 5.351 1.00 15.00 H new ATOM 0 HG3 PRO B 207 6.162 -9.104 4.896 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.700 -9.289 3.298 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.325 -10.376 3.315 1.00 15.00 H new ATOM 628 N PRO B 208 5.635 -5.314 1.499 1.00 15.00 N ATOM 629 CA PRO B 208 5.801 -4.098 0.687 1.00 15.00 C ATOM 630 C PRO B 208 6.917 -3.183 1.176 1.00 15.00 C ATOM 631 O PRO B 208 7.211 -3.121 2.373 1.00 15.00 O ATOM 632 CB PRO B 208 4.454 -3.397 0.841 1.00 15.00 C ATOM 633 CG PRO B 208 3.487 -4.497 1.051 1.00 15.00 C ATOM 634 CD PRO B 208 4.218 -5.531 1.860 1.00 15.00 C ATOM 0 HA PRO B 208 6.078 -4.344 -0.338 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.460 -2.707 1.685 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.206 -2.814 -0.046 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.600 -4.144 1.577 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.151 -4.910 0.100 1.00 15.00 H new ATOM 0 HD2 PRO B 208 4.051 -5.396 2.929 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.891 -6.540 1.611 1.00 15.00 H new ATOM 642 N PRO B 209 7.517 -2.434 0.238 1.00 15.00 N ATOM 643 CA PRO B 209 8.651 -1.540 0.510 1.00 15.00 C ATOM 644 C PRO B 209 8.383 -0.578 1.670 1.00 15.00 C ATOM 645 O PRO B 209 7.248 -0.129 1.860 1.00 15.00 O ATOM 646 CB PRO B 209 8.801 -0.770 -0.801 1.00 15.00 C ATOM 647 CG PRO B 209 8.264 -1.692 -1.835 1.00 15.00 C ATOM 648 CD PRO B 209 7.115 -2.391 -1.181 1.00 15.00 C ATOM 0 HA PRO B 209 9.543 -2.091 0.810 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.245 0.167 -0.777 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.843 -0.518 -0.996 1.00 15.00 H new ATOM 0 HG2 PRO B 209 7.939 -1.145 -2.720 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.023 -2.403 -2.161 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.180 -1.848 -1.319 1.00 15.00 H new ATOM 0 HD3 PRO B 209 6.966 -3.391 -1.589 1.00 15.00 H new ATOM 656 N PRO B 210 9.432 -0.242 2.446 1.00 15.00 N ATOM 657 CA PRO B 210 9.312 0.629 3.620 1.00 15.00 C ATOM 658 C PRO B 210 8.560 1.927 3.339 1.00 15.00 C ATOM 659 O PRO B 210 8.942 2.712 2.465 1.00 15.00 O ATOM 660 CB PRO B 210 10.764 0.940 3.991 1.00 15.00 C ATOM 661 CG PRO B 210 11.555 -0.200 3.456 1.00 15.00 C ATOM 662 CD PRO B 210 10.823 -0.693 2.236 1.00 15.00 C ATOM 0 HA PRO B 210 8.740 0.140 4.409 1.00 15.00 H new ATOM 0 HB2 PRO B 210 11.089 1.884 3.554 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.884 1.031 5.071 1.00 15.00 H new ATOM 0 HG2 PRO B 210 12.566 0.116 3.200 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.647 -0.992 4.200 1.00 15.00 H new ATOM 0 HD2 PRO B 210 11.244 -0.275 1.322 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.882 -1.778 2.147 1.00 15.00 H new ATOM 670 N TYR B 211 7.487 2.143 4.082 1.00 15.00 N ATOM 671 CA TYR B 211 6.737 3.382 3.995 1.00 15.00 C ATOM 672 C TYR B 211 7.269 4.378 5.015 1.00 15.00 C ATOM 673 O TYR B 211 7.159 4.157 6.221 1.00 15.00 O ATOM 674 CB TYR B 211 5.239 3.129 4.239 1.00 15.00 C ATOM 675 CG TYR B 211 4.404 4.395 4.296 1.00 15.00 C ATOM 676 CD1 TYR B 211 4.246 5.095 5.487 1.00 15.00 C ATOM 677 CD2 TYR B 211 3.781 4.897 3.159 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.501 6.249 5.545 1.00 15.00 C ATOM 679 CE2 TYR B 211 3.032 6.058 3.213 1.00 15.00 C ATOM 680 CZ TYR B 211 2.899 6.728 4.413 1.00 15.00 C ATOM 681 OH TYR B 211 2.167 7.890 4.484 1.00 15.00 O ATOM 0 H TYR B 211 7.116 1.472 4.755 1.00 15.00 H new ATOM 0 HA TYR B 211 6.858 3.792 2.992 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.855 2.487 3.446 1.00 15.00 H new ATOM 0 HB3 TYR B 211 5.120 2.584 5.176 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.718 4.725 6.385 1.00 15.00 H new ATOM 0 HD2 TYR B 211 3.884 4.373 2.220 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.391 6.776 6.481 1.00 15.00 H new ATOM 0 HE2 TYR B 211 2.554 6.438 2.322 1.00 15.00 H new ATOM 0 HH TYR B 211 1.248 7.716 4.193 1.00 15.00 H new ATOM 691 N SER B 212 7.867 5.458 4.539 1.00 15.00 N ATOM 692 CA SER B 212 8.277 6.532 5.425 1.00 15.00 C ATOM 693 C SER B 212 7.203 7.617 5.401 1.00 15.00 C ATOM 694 O SER B 212 6.389 7.718 6.319 1.00 15.00 O ATOM 695 CB SER B 212 9.636 7.088 4.982 1.00 15.00 C ATOM 696 OG SER B 212 10.150 8.011 5.924 1.00 15.00 O ATOM 0 H SER B 212 8.077 5.613 3.553 1.00 15.00 H new ATOM 0 HA SER B 212 8.388 6.161 6.444 1.00 15.00 H new ATOM 0 HB2 SER B 212 10.342 6.267 4.853 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.533 7.575 4.012 1.00 15.00 H new ATOM 0 HG SER B 212 11.017 8.346 5.614 1.00 15.00 H new ATOM 702 N ARG B 213 7.172 8.384 4.322 1.00 15.00 N ATOM 703 CA ARG B 213 6.046 9.277 4.047 1.00 15.00 C ATOM 704 C ARG B 213 5.376 8.913 2.719 1.00 15.00 C ATOM 705 O ARG B 213 4.152 8.947 2.604 1.00 15.00 O ATOM 706 CB ARG B 213 6.475 10.747 4.023 1.00 15.00 C ATOM 707 CG ARG B 213 7.177 11.219 5.291 1.00 15.00 C ATOM 708 CD ARG B 213 6.368 10.909 6.546 1.00 15.00 C ATOM 709 NE ARG B 213 4.969 11.326 6.430 1.00 15.00 N ATOM 710 CZ ARG B 213 4.220 11.717 7.458 1.00 15.00 C ATOM 711 NH1 ARG B 213 4.737 11.783 8.680 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 2.946 12.035 7.262 1.00 15.00 N ATOM 0 H ARG B 213 7.911 8.409 3.620 1.00 15.00 H new ATOM 0 HA ARG B 213 5.331 9.146 4.859 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.140 10.905 3.174 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.594 11.367 3.858 1.00 15.00 H new ATOM 0 HG2 ARG B 213 8.154 10.741 5.363 1.00 15.00 H new ATOM 0 HG3 ARG B 213 7.352 12.293 5.229 1.00 15.00 H new ATOM 0 HD2 ARG B 213 6.409 9.838 6.745 1.00 15.00 H new ATOM 0 HD3 ARG B 213 6.823 11.410 7.400 1.00 15.00 H new ATOM 0 HE ARG B 213 4.542 11.316 5.504 1.00 15.00 H new ATOM 0 HH11 ARG B 213 5.714 11.533 8.835 1.00 15.00 H new ATOM 0 HH12 ARG B 213 4.157 12.084 9.464 1.00 15.00 H new ATOM 0 HH21 ARG B 213 2.545 11.979 6.326 1.00 15.00 H new ATOM 0 HH22 ARG B 213 2.369 12.335 8.047 1.00 15.00 H new ATOM 726 N TYR B 214 6.180 8.625 1.701 1.00 15.00 N ATOM 727 CA TYR B 214 5.674 8.099 0.447 1.00 15.00 C ATOM 728 C TYR B 214 6.282 6.722 0.209 1.00 15.00 C ATOM 729 O TYR B 214 7.444 6.495 0.550 1.00 15.00 O ATOM 730 CB TYR B 214 6.034 9.047 -0.702 1.00 15.00 C ATOM 731 CG TYR B 214 5.599 10.473 -0.457 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.273 10.855 -0.623 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.511 11.436 -0.041 1.00 15.00 C ATOM 734 CE1 TYR B 214 3.870 12.155 -0.385 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.115 12.736 0.201 1.00 15.00 C ATOM 736 CZ TYR B 214 4.795 13.090 0.027 1.00 15.00 C ATOM 737 OH TYR B 214 4.399 14.384 0.271 1.00 15.00 O ATOM 0 H TYR B 214 7.192 8.750 1.725 1.00 15.00 H new ATOM 0 HA TYR B 214 4.588 8.013 0.493 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.113 9.025 -0.858 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.572 8.686 -1.621 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.546 10.124 -0.943 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.547 11.162 0.095 1.00 15.00 H new ATOM 0 HE1 TYR B 214 2.836 12.437 -0.521 1.00 15.00 H new ATOM 0 HE2 TYR B 214 6.836 13.472 0.525 1.00 15.00 H new ATOM 0 HH TYR B 214 5.172 14.915 0.554 1.00 15.00 H new ATOM 747 N PRO B 215 5.523 5.789 -0.382 1.00 15.00 N ATOM 748 CA PRO B 215 6.010 4.430 -0.623 1.00 15.00 C ATOM 749 C PRO B 215 7.089 4.388 -1.700 1.00 15.00 C ATOM 750 O PRO B 215 6.861 4.774 -2.847 1.00 15.00 O ATOM 751 CB PRO B 215 4.763 3.673 -1.083 1.00 15.00 C ATOM 752 CG PRO B 215 3.845 4.721 -1.616 1.00 15.00 C ATOM 753 CD PRO B 215 4.137 5.979 -0.843 1.00 15.00 C ATOM 0 HA PRO B 215 6.475 4.002 0.265 1.00 15.00 H new ATOM 0 HB2 PRO B 215 5.009 2.938 -1.849 1.00 15.00 H new ATOM 0 HB3 PRO B 215 4.304 3.131 -0.256 1.00 15.00 H new ATOM 0 HG2 PRO B 215 4.009 4.874 -2.683 1.00 15.00 H new ATOM 0 HG3 PRO B 215 2.804 4.423 -1.493 1.00 15.00 H new ATOM 0 HD2 PRO B 215 4.041 6.866 -1.469 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.450 6.104 -0.006 1.00 15.00 H new ATOM 761 N MET B 216 8.273 3.939 -1.311 1.00 15.00 N ATOM 762 CA MET B 216 9.407 3.882 -2.220 1.00 15.00 C ATOM 763 C MET B 216 9.580 2.472 -2.778 1.00 15.00 C ATOM 764 O MET B 216 10.101 1.583 -2.111 1.00 15.00 O ATOM 765 CB MET B 216 10.684 4.360 -1.507 1.00 15.00 C ATOM 766 CG MET B 216 11.013 3.585 -0.235 1.00 15.00 C ATOM 767 SD MET B 216 12.317 4.356 0.743 1.00 15.00 S ATOM 768 CE MET B 216 11.494 5.860 1.262 1.00 15.00 C ATOM 0 H MET B 216 8.473 3.608 -0.367 1.00 15.00 H new ATOM 0 HA MET B 216 9.217 4.549 -3.060 1.00 15.00 H new ATOM 0 HB2 MET B 216 11.524 4.279 -2.197 1.00 15.00 H new ATOM 0 HB3 MET B 216 10.575 5.416 -1.259 1.00 15.00 H new ATOM 0 HG2 MET B 216 10.113 3.498 0.374 1.00 15.00 H new ATOM 0 HG3 MET B 216 11.317 2.573 -0.501 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.969 6.241 2.166 1.00 15.00 H new ATOM 0 HE2 MET B 216 11.568 6.607 0.471 1.00 15.00 H new ATOM 0 HE3 MET B 216 10.444 5.649 1.465 1.00 15.00 H new ATOM 778 N ASP B 217 9.101 2.262 -3.991 1.00 15.00 N ATOM 779 CA ASP B 217 9.199 0.961 -4.634 1.00 15.00 C ATOM 780 C ASP B 217 10.157 1.041 -5.806 1.00 15.00 C ATOM 781 O ASP B 217 9.838 1.746 -6.788 1.00 15.00 O ATOM 782 CB ASP B 217 7.826 0.470 -5.103 1.00 15.00 C ATOM 783 CG ASP B 217 7.890 -0.907 -5.739 1.00 15.00 C ATOM 784 OD1 ASP B 217 8.044 -1.902 -5.002 1.00 15.00 O ATOM 785 OD2 ASP B 217 7.783 -1.004 -6.981 1.00 15.00 O1- ATOM 786 OXT ASP B 217 11.232 0.417 -5.738 1.00 15.00 O ATOM 0 H ASP B 217 8.639 2.977 -4.553 1.00 15.00 H new ATOM 0 HA ASP B 217 9.578 0.245 -3.905 1.00 15.00 H new ATOM 0 HB2 ASP B 217 7.143 0.444 -4.254 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.415 1.180 -5.821 1.00 15.00 H new TER 791 ASP B 217