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: B 212 SER OG : rot 180:sc= 0 USER MOD Set 1.2: B 216 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 386 HIS : no HD1:sc= 0.863 K(o=0.75,f=-5.8!) USER MOD Set 2.2: B 211 TYR OH : rot 179:sc= -0.116 USER MOD Set 3.1: A 392 THR OG1 : rot 180:sc= 0.184 USER MOD Set 3.2: A 394 THR OG1 : rot 84:sc= 0.00293 USER MOD Set 4.1: A 385 ASN : amide:sc= -2! C(o=-1!,f=-4.4!) USER MOD Set 4.2: A 387 ASN : amide:sc= 0.938 K(o=-1,f=-4) USER MOD Set 4.3: A 388 ASN : amide:sc= 0.0408 K(o=-1,f=-10!) USER MOD Single : A 369 SER OG : rot 180:sc= 0 USER MOD Single : A 375 LYS NZ :NH3+ -172:sc= -0.0109 (180deg=-0.118) USER MOD Single : A 378 LYS NZ :NH3+ 162:sc= 1.17 (180deg=0.463!) USER MOD Single : A 381 THR OG1 : rot 53:sc= 0.539 USER MOD Single : A 382 TYR OH : rot -171:sc= 0.109 USER MOD Single : A 383 TYR OH : rot 180:sc= 0 USER MOD Single : A 390 THR OG1 : rot 180:sc= 0 USER MOD Single : A 391 THR OG1 : rot 35:sc= -0.174 USER MOD Single : B 206 SER OG : rot 180:sc= 0.0664 USER MOD Single : B 214 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 365 -15.807 -3.156 -3.077 1.00 15.00 N ATOM 2 CA PRO A 365 -14.507 -2.662 -2.568 1.00 15.00 C ATOM 3 C PRO A 365 -14.693 -1.360 -1.797 1.00 15.00 C ATOM 4 O PRO A 365 -15.313 -0.420 -2.294 1.00 15.00 O ATOM 5 CB PRO A 365 -13.567 -2.439 -3.743 1.00 15.00 C ATOM 6 CG PRO A 365 -14.453 -2.560 -4.932 1.00 15.00 C ATOM 7 CD PRO A 365 -15.613 -3.436 -4.513 1.00 15.00 C ATOM 0 HA PRO A 365 -14.083 -3.403 -1.890 1.00 15.00 H new ATOM 0 HB2 PRO A 365 -13.092 -1.459 -3.696 1.00 15.00 H new ATOM 0 HB3 PRO A 365 -12.768 -3.180 -3.762 1.00 15.00 H new ATOM 0 HG2 PRO A 365 -14.804 -1.580 -5.256 1.00 15.00 H new ATOM 0 HG3 PRO A 365 -13.917 -3.001 -5.772 1.00 15.00 H new ATOM 0 HD2 PRO A 365 -16.511 -3.202 -5.085 1.00 15.00 H new ATOM 0 HD3 PRO A 365 -15.393 -4.490 -4.683 1.00 15.00 H new ATOM 17 N GLY A 366 -14.156 -1.307 -0.587 1.00 15.00 N ATOM 18 CA GLY A 366 -14.267 -0.108 0.219 1.00 15.00 C ATOM 19 C GLY A 366 -12.969 0.669 0.270 1.00 15.00 C ATOM 20 O GLY A 366 -11.972 0.183 0.802 1.00 15.00 O ATOM 0 H GLY A 366 -13.645 -2.073 -0.148 1.00 15.00 H new ATOM 0 HA2 GLY A 366 -15.054 0.528 -0.186 1.00 15.00 H new ATOM 0 HA3 GLY A 366 -14.566 -0.379 1.231 1.00 15.00 H new ATOM 24 N LEU A 367 -12.975 1.867 -0.302 1.00 15.00 N ATOM 25 CA LEU A 367 -11.802 2.729 -0.291 1.00 15.00 C ATOM 26 C LEU A 367 -11.916 3.718 0.874 1.00 15.00 C ATOM 27 O LEU A 367 -12.758 4.615 0.845 1.00 15.00 O ATOM 28 CB LEU A 367 -11.683 3.474 -1.634 1.00 15.00 C ATOM 29 CG LEU A 367 -10.293 4.032 -1.987 1.00 15.00 C ATOM 30 CD1 LEU A 367 -10.272 4.504 -3.434 1.00 15.00 C ATOM 31 CD2 LEU A 367 -9.897 5.176 -1.062 1.00 15.00 C ATOM 0 H LEU A 367 -13.783 2.264 -0.781 1.00 15.00 H new ATOM 0 HA LEU A 367 -10.903 2.128 -0.158 1.00 15.00 H new ATOM 0 HB2 LEU A 367 -11.991 2.795 -2.429 1.00 15.00 H new ATOM 0 HB3 LEU A 367 -12.392 4.302 -1.629 1.00 15.00 H new ATOM 0 HG LEU A 367 -9.568 3.228 -1.856 1.00 15.00 H new ATOM 0 HD11 LEU A 367 -9.284 4.897 -3.674 1.00 15.00 H new ATOM 0 HD12 LEU A 367 -10.499 3.666 -4.093 1.00 15.00 H new ATOM 0 HD13 LEU A 367 -11.018 5.287 -3.572 1.00 15.00 H new ATOM 0 HD21 LEU A 367 -8.910 5.545 -1.341 1.00 15.00 H new ATOM 0 HD22 LEU A 367 -10.624 5.983 -1.150 1.00 15.00 H new ATOM 0 HD23 LEU A 367 -9.873 4.820 -0.032 1.00 15.00 H new ATOM 43 N PRO A 368 -11.102 3.555 1.928 1.00 15.00 N ATOM 44 CA PRO A 368 -11.116 4.453 3.073 1.00 15.00 C ATOM 45 C PRO A 368 -10.155 5.630 2.901 1.00 15.00 C ATOM 46 O PRO A 368 -9.108 5.512 2.257 1.00 15.00 O ATOM 47 CB PRO A 368 -10.671 3.556 4.231 1.00 15.00 C ATOM 48 CG PRO A 368 -9.971 2.380 3.616 1.00 15.00 C ATOM 49 CD PRO A 368 -10.134 2.464 2.118 1.00 15.00 C ATOM 0 HA PRO A 368 -12.094 4.909 3.224 1.00 15.00 H new ATOM 0 HB2 PRO A 368 -10.005 4.095 4.905 1.00 15.00 H new ATOM 0 HB3 PRO A 368 -11.528 3.232 4.822 1.00 15.00 H new ATOM 0 HG2 PRO A 368 -8.914 2.384 3.884 1.00 15.00 H new ATOM 0 HG3 PRO A 368 -10.392 1.448 3.992 1.00 15.00 H new ATOM 0 HD2 PRO A 368 -9.186 2.680 1.625 1.00 15.00 H new ATOM 0 HD3 PRO A 368 -10.503 1.526 1.703 1.00 15.00 H new ATOM 57 N SER A 369 -10.505 6.755 3.508 1.00 15.00 N ATOM 58 CA SER A 369 -9.747 7.986 3.352 1.00 15.00 C ATOM 59 C SER A 369 -8.394 7.875 4.047 1.00 15.00 C ATOM 60 O SER A 369 -8.313 7.511 5.221 1.00 15.00 O ATOM 61 CB SER A 369 -10.542 9.148 3.940 1.00 15.00 C ATOM 62 OG SER A 369 -11.911 9.059 3.577 1.00 15.00 O ATOM 0 H SER A 369 -11.318 6.839 4.119 1.00 15.00 H new ATOM 0 HA SER A 369 -9.573 8.163 2.291 1.00 15.00 H new ATOM 0 HB2 SER A 369 -10.449 9.145 5.026 1.00 15.00 H new ATOM 0 HB3 SER A 369 -10.128 10.093 3.587 1.00 15.00 H new ATOM 0 HG SER A 369 -12.402 9.813 3.966 1.00 15.00 H new ATOM 68 N GLY A 370 -7.337 8.195 3.315 1.00 15.00 N ATOM 69 CA GLY A 370 -5.999 8.076 3.848 1.00 15.00 C ATOM 70 C GLY A 370 -5.235 6.956 3.181 1.00 15.00 C ATOM 71 O GLY A 370 -4.008 6.894 3.260 1.00 15.00 O ATOM 0 H GLY A 370 -7.385 8.537 2.355 1.00 15.00 H new ATOM 0 HA2 GLY A 370 -5.465 9.016 3.708 1.00 15.00 H new ATOM 0 HA3 GLY A 370 -6.049 7.895 4.922 1.00 15.00 H new ATOM 75 N TRP A 371 -5.964 6.067 2.521 1.00 15.00 N ATOM 76 CA TRP A 371 -5.358 4.952 1.815 1.00 15.00 C ATOM 77 C TRP A 371 -5.108 5.316 0.353 1.00 15.00 C ATOM 78 O TRP A 371 -6.029 5.727 -0.355 1.00 15.00 O ATOM 79 CB TRP A 371 -6.262 3.716 1.875 1.00 15.00 C ATOM 80 CG TRP A 371 -6.313 3.045 3.215 1.00 15.00 C ATOM 81 CD1 TRP A 371 -6.963 3.480 4.334 1.00 15.00 C ATOM 82 CD2 TRP A 371 -5.700 1.800 3.568 1.00 15.00 C ATOM 83 NE1 TRP A 371 -6.791 2.580 5.361 1.00 15.00 N ATOM 84 CE2 TRP A 371 -6.017 1.542 4.913 1.00 15.00 C ATOM 85 CE3 TRP A 371 -4.911 0.879 2.874 1.00 15.00 C ATOM 86 CZ2 TRP A 371 -5.574 0.402 5.580 1.00 15.00 C ATOM 87 CZ3 TRP A 371 -4.472 -0.252 3.537 1.00 15.00 C ATOM 88 CH2 TRP A 371 -4.804 -0.482 4.876 1.00 15.00 C ATOM 0 H TRP A 371 -6.982 6.099 2.461 1.00 15.00 H new ATOM 0 HA TRP A 371 -4.409 4.727 2.301 1.00 15.00 H new ATOM 0 HB2 TRP A 371 -7.273 4.007 1.590 1.00 15.00 H new ATOM 0 HB3 TRP A 371 -5.918 2.994 1.134 1.00 15.00 H new ATOM 0 HD1 TRP A 371 -7.530 4.397 4.403 1.00 15.00 H new ATOM 0 HE1 TRP A 371 -7.176 2.671 6.301 1.00 15.00 H new ATOM 0 HE3 TRP A 371 -4.649 1.047 1.840 1.00 15.00 H new ATOM 0 HZ2 TRP A 371 -5.829 0.223 6.614 1.00 15.00 H new ATOM 0 HZ3 TRP A 371 -3.861 -0.971 3.011 1.00 15.00 H new ATOM 0 HH2 TRP A 371 -4.445 -1.376 5.364 1.00 15.00 H new ATOM 99 N GLU A 372 -3.874 5.164 -0.105 1.00 15.00 N ATOM 100 CA GLU A 372 -3.584 5.333 -1.520 1.00 15.00 C ATOM 101 C GLU A 372 -3.177 3.997 -2.122 1.00 15.00 C ATOM 102 O GLU A 372 -2.137 3.429 -1.785 1.00 15.00 O ATOM 103 CB GLU A 372 -2.520 6.403 -1.788 1.00 15.00 C ATOM 104 CG GLU A 372 -2.892 7.784 -1.285 1.00 15.00 C ATOM 105 CD GLU A 372 -1.933 8.848 -1.773 1.00 15.00 C ATOM 106 OE1 GLU A 372 -0.907 9.088 -1.104 1.00 15.00 O ATOM 107 OE2 GLU A 372 -2.202 9.446 -2.833 1.00 15.00 O1- ATOM 0 H GLU A 372 -3.068 4.927 0.474 1.00 15.00 H new ATOM 0 HA GLU A 372 -4.496 5.688 -2.001 1.00 15.00 H new ATOM 0 HB2 GLU A 372 -1.585 6.096 -1.319 1.00 15.00 H new ATOM 0 HB3 GLU A 372 -2.335 6.456 -2.861 1.00 15.00 H new ATOM 0 HG2 GLU A 372 -3.902 8.029 -1.614 1.00 15.00 H new ATOM 0 HG3 GLU A 372 -2.904 7.781 -0.195 1.00 15.00 H new ATOM 114 N GLU A 373 -4.020 3.498 -3.003 1.00 15.00 N ATOM 115 CA GLU A 373 -3.860 2.171 -3.573 1.00 15.00 C ATOM 116 C GLU A 373 -3.218 2.293 -4.933 1.00 15.00 C ATOM 117 O GLU A 373 -3.784 2.900 -5.842 1.00 15.00 O ATOM 118 CB GLU A 373 -5.225 1.529 -3.692 1.00 15.00 C ATOM 119 CG GLU A 373 -6.147 2.039 -2.616 1.00 15.00 C ATOM 120 CD GLU A 373 -7.598 1.711 -2.874 1.00 15.00 C ATOM 121 OE1 GLU A 373 -7.949 1.428 -4.038 1.00 15.00 O1- ATOM 122 OE2 GLU A 373 -8.391 1.704 -1.914 1.00 15.00 O ATOM 0 H GLU A 373 -4.838 4.001 -3.346 1.00 15.00 H new ATOM 0 HA GLU A 373 -3.225 1.554 -2.937 1.00 15.00 H new ATOM 0 HB2 GLU A 373 -5.649 1.743 -4.673 1.00 15.00 H new ATOM 0 HB3 GLU A 373 -5.131 0.446 -3.615 1.00 15.00 H new ATOM 0 HG2 GLU A 373 -5.849 1.612 -1.658 1.00 15.00 H new ATOM 0 HG3 GLU A 373 -6.035 3.120 -2.532 1.00 15.00 H new ATOM 129 N ARG A 374 -2.038 1.739 -5.075 1.00 15.00 N ATOM 130 CA ARG A 374 -1.227 2.048 -6.224 1.00 15.00 C ATOM 131 C ARG A 374 -0.627 0.803 -6.847 1.00 15.00 C ATOM 132 O ARG A 374 0.088 0.039 -6.194 1.00 15.00 O ATOM 133 CB ARG A 374 -0.142 3.023 -5.793 1.00 15.00 C ATOM 134 CG ARG A 374 -0.709 4.324 -5.235 1.00 15.00 C ATOM 135 CD ARG A 374 0.351 5.120 -4.490 1.00 15.00 C ATOM 136 NE ARG A 374 1.628 5.144 -5.209 1.00 15.00 N ATOM 137 CZ ARG A 374 2.112 6.211 -5.849 1.00 15.00 C ATOM 138 NH1 ARG A 374 1.416 7.342 -5.902 1.00 15.00 N1+ ATOM 139 NH2 ARG A 374 3.294 6.144 -6.449 1.00 15.00 N ATOM 0 H ARG A 374 -1.623 1.080 -4.417 1.00 15.00 H new ATOM 0 HA ARG A 374 -1.853 2.501 -6.993 1.00 15.00 H new ATOM 0 HB2 ARG A 374 0.486 2.551 -5.037 1.00 15.00 H new ATOM 0 HB3 ARG A 374 0.499 3.247 -6.645 1.00 15.00 H new ATOM 0 HG2 ARG A 374 -1.111 4.926 -6.050 1.00 15.00 H new ATOM 0 HG3 ARG A 374 -1.538 4.102 -4.563 1.00 15.00 H new ATOM 0 HD2 ARG A 374 -0.000 6.141 -4.342 1.00 15.00 H new ATOM 0 HD3 ARG A 374 0.500 4.687 -3.501 1.00 15.00 H new ATOM 0 HE ARG A 374 2.184 4.289 -5.221 1.00 15.00 H new ATOM 0 HH11 ARG A 374 0.503 7.401 -5.451 1.00 15.00 H new ATOM 0 HH12 ARG A 374 1.795 8.151 -6.394 1.00 15.00 H new ATOM 0 HH21 ARG A 374 3.832 5.278 -6.421 1.00 15.00 H new ATOM 0 HH22 ARG A 374 3.665 6.959 -6.938 1.00 15.00 H new ATOM 153 N LYS A 375 -0.944 0.599 -8.114 1.00 15.00 N ATOM 154 CA LYS A 375 -0.377 -0.495 -8.879 1.00 15.00 C ATOM 155 C LYS A 375 0.807 0.021 -9.681 1.00 15.00 C ATOM 156 O LYS A 375 0.655 0.870 -10.562 1.00 15.00 O ATOM 157 CB LYS A 375 -1.421 -1.128 -9.810 1.00 15.00 C ATOM 158 CG LYS A 375 -2.499 -1.937 -9.091 1.00 15.00 C ATOM 159 CD LYS A 375 -3.466 -1.053 -8.315 1.00 15.00 C ATOM 160 CE LYS A 375 -4.492 -1.875 -7.547 1.00 15.00 C ATOM 161 NZ LYS A 375 -5.353 -2.683 -8.451 1.00 15.00 N1+ ATOM 0 H LYS A 375 -1.597 1.183 -8.637 1.00 15.00 H new ATOM 0 HA LYS A 375 -0.045 -1.270 -8.189 1.00 15.00 H new ATOM 0 HB2 LYS A 375 -1.901 -0.338 -10.388 1.00 15.00 H new ATOM 0 HB3 LYS A 375 -0.910 -1.777 -10.521 1.00 15.00 H new ATOM 0 HG2 LYS A 375 -3.055 -2.526 -9.821 1.00 15.00 H new ATOM 0 HG3 LYS A 375 -2.026 -2.641 -8.407 1.00 15.00 H new ATOM 0 HD2 LYS A 375 -2.908 -0.427 -7.619 1.00 15.00 H new ATOM 0 HD3 LYS A 375 -3.980 -0.383 -9.005 1.00 15.00 H new ATOM 0 HE2 LYS A 375 -3.977 -2.537 -6.850 1.00 15.00 H new ATOM 0 HE3 LYS A 375 -5.117 -1.209 -6.952 1.00 15.00 H new ATOM 0 HZ1 LYS A 375 -6.120 -3.119 -7.901 1.00 15.00 H new ATOM 0 HZ2 LYS A 375 -5.759 -2.068 -9.185 1.00 15.00 H new ATOM 0 HZ3 LYS A 375 -4.782 -3.427 -8.900 1.00 15.00 H new ATOM 175 N ASP A 376 1.981 -0.485 -9.359 1.00 15.00 N ATOM 176 CA ASP A 376 3.223 -0.006 -9.950 1.00 15.00 C ATOM 177 C ASP A 376 3.543 -0.792 -11.215 1.00 15.00 C ATOM 178 O ASP A 376 3.198 -1.967 -11.316 1.00 15.00 O ATOM 179 CB ASP A 376 4.365 -0.120 -8.946 1.00 15.00 C ATOM 180 CG ASP A 376 5.416 0.946 -9.155 1.00 15.00 C ATOM 181 OD1 ASP A 376 5.996 1.007 -10.257 1.00 15.00 O ATOM 182 OD2 ASP A 376 5.678 1.720 -8.212 1.00 15.00 O1- ATOM 0 H ASP A 376 2.105 -1.238 -8.682 1.00 15.00 H new ATOM 0 HA ASP A 376 3.102 1.044 -10.217 1.00 15.00 H new ATOM 0 HB2 ASP A 376 3.967 -0.042 -7.934 1.00 15.00 H new ATOM 0 HB3 ASP A 376 4.826 -1.104 -9.032 1.00 15.00 H new ATOM 187 N ALA A 377 4.226 -0.144 -12.156 1.00 15.00 N ATOM 188 CA ALA A 377 4.410 -0.670 -13.515 1.00 15.00 C ATOM 189 C ALA A 377 5.131 -2.021 -13.550 1.00 15.00 C ATOM 190 O ALA A 377 4.967 -2.784 -14.498 1.00 15.00 O ATOM 191 CB ALA A 377 5.171 0.342 -14.358 1.00 15.00 C ATOM 0 H ALA A 377 4.669 0.762 -12.002 1.00 15.00 H new ATOM 0 HA ALA A 377 3.414 -0.837 -13.925 1.00 15.00 H new ATOM 0 HB1 ALA A 377 5.306 -0.052 -15.365 1.00 15.00 H new ATOM 0 HB2 ALA A 377 4.607 1.274 -14.405 1.00 15.00 H new ATOM 0 HB3 ALA A 377 6.146 0.530 -13.909 1.00 15.00 H new ATOM 197 N LYS A 378 5.916 -2.322 -12.521 1.00 15.00 N ATOM 198 CA LYS A 378 6.592 -3.622 -12.424 1.00 15.00 C ATOM 199 C LYS A 378 5.574 -4.729 -12.167 1.00 15.00 C ATOM 200 O LYS A 378 5.878 -5.917 -12.281 1.00 15.00 O ATOM 201 CB LYS A 378 7.640 -3.665 -11.305 1.00 15.00 C ATOM 202 CG LYS A 378 8.551 -2.454 -11.219 1.00 15.00 C ATOM 203 CD LYS A 378 7.910 -1.361 -10.392 1.00 15.00 C ATOM 204 CE LYS A 378 8.956 -0.481 -9.722 1.00 15.00 C ATOM 205 NZ LYS A 378 8.361 0.372 -8.666 1.00 15.00 N1+ ATOM 0 H LYS A 378 6.103 -1.690 -11.743 1.00 15.00 H new ATOM 0 HA LYS A 378 7.100 -3.773 -13.376 1.00 15.00 H new ATOM 0 HB2 LYS A 378 7.124 -3.779 -10.352 1.00 15.00 H new ATOM 0 HB3 LYS A 378 8.257 -4.553 -11.442 1.00 15.00 H new ATOM 0 HG2 LYS A 378 9.505 -2.741 -10.776 1.00 15.00 H new ATOM 0 HG3 LYS A 378 8.764 -2.081 -12.221 1.00 15.00 H new ATOM 0 HD2 LYS A 378 7.272 -0.748 -11.029 1.00 15.00 H new ATOM 0 HD3 LYS A 378 7.268 -1.807 -9.632 1.00 15.00 H new ATOM 0 HE2 LYS A 378 9.734 -1.108 -9.287 1.00 15.00 H new ATOM 0 HE3 LYS A 378 9.435 0.149 -10.471 1.00 15.00 H new ATOM 0 HZ1 LYS A 378 9.112 0.721 -8.037 1.00 15.00 H new ATOM 0 HZ2 LYS A 378 7.874 1.179 -9.105 1.00 15.00 H new ATOM 0 HZ3 LYS A 378 7.678 -0.185 -8.114 1.00 15.00 H new ATOM 219 N GLY A 379 4.376 -4.318 -11.789 1.00 15.00 N ATOM 220 CA GLY A 379 3.376 -5.231 -11.294 1.00 15.00 C ATOM 221 C GLY A 379 3.472 -5.378 -9.798 1.00 15.00 C ATOM 222 O GLY A 379 3.496 -6.482 -9.256 1.00 15.00 O ATOM 0 H GLY A 379 4.075 -3.344 -11.819 1.00 15.00 H new ATOM 0 HA2 GLY A 379 2.384 -4.870 -11.565 1.00 15.00 H new ATOM 0 HA3 GLY A 379 3.501 -6.205 -11.767 1.00 15.00 H new ATOM 226 N ARG A 380 3.526 -4.237 -9.134 1.00 15.00 N ATOM 227 CA ARG A 380 3.603 -4.182 -7.687 1.00 15.00 C ATOM 228 C ARG A 380 2.306 -3.600 -7.139 1.00 15.00 C ATOM 229 O ARG A 380 2.021 -2.420 -7.335 1.00 15.00 O ATOM 230 CB ARG A 380 4.790 -3.314 -7.265 1.00 15.00 C ATOM 231 CG ARG A 380 6.091 -3.691 -7.955 1.00 15.00 C ATOM 232 CD ARG A 380 6.698 -4.952 -7.368 1.00 15.00 C ATOM 233 NE ARG A 380 7.293 -4.707 -6.055 1.00 15.00 N ATOM 234 CZ ARG A 380 7.809 -5.655 -5.279 1.00 15.00 C ATOM 235 NH1 ARG A 380 7.807 -6.925 -5.679 1.00 15.00 N1+ ATOM 236 NH2 ARG A 380 8.341 -5.323 -4.110 1.00 15.00 N ATOM 0 H ARG A 380 3.518 -3.322 -9.585 1.00 15.00 H new ATOM 0 HA ARG A 380 3.745 -5.186 -7.288 1.00 15.00 H new ATOM 0 HB2 ARG A 380 4.562 -2.270 -7.481 1.00 15.00 H new ATOM 0 HB3 ARG A 380 4.923 -3.394 -6.186 1.00 15.00 H new ATOM 0 HG2 ARG A 380 5.908 -3.838 -9.020 1.00 15.00 H new ATOM 0 HG3 ARG A 380 6.802 -2.870 -7.864 1.00 15.00 H new ATOM 0 HD2 ARG A 380 5.929 -5.719 -7.281 1.00 15.00 H new ATOM 0 HD3 ARG A 380 7.459 -5.339 -8.046 1.00 15.00 H new ATOM 0 HE ARG A 380 7.313 -3.747 -5.712 1.00 15.00 H new ATOM 0 HH11 ARG A 380 7.408 -7.174 -6.584 1.00 15.00 H new ATOM 0 HH12 ARG A 380 8.204 -7.649 -5.080 1.00 15.00 H new ATOM 0 HH21 ARG A 380 8.352 -4.347 -3.813 1.00 15.00 H new ATOM 0 HH22 ARG A 380 8.739 -6.044 -3.508 1.00 15.00 H new ATOM 250 N THR A 381 1.500 -4.434 -6.503 1.00 15.00 N ATOM 251 CA THR A 381 0.218 -3.992 -5.984 1.00 15.00 C ATOM 252 C THR A 381 0.291 -3.759 -4.479 1.00 15.00 C ATOM 253 O THR A 381 0.065 -4.676 -3.689 1.00 15.00 O ATOM 254 CB THR A 381 -0.891 -5.021 -6.297 1.00 15.00 C ATOM 255 OG1 THR A 381 -0.510 -6.315 -5.810 1.00 15.00 O ATOM 256 CG2 THR A 381 -1.149 -5.100 -7.794 1.00 15.00 C ATOM 0 H THR A 381 1.710 -5.418 -6.334 1.00 15.00 H new ATOM 0 HA THR A 381 -0.027 -3.051 -6.476 1.00 15.00 H new ATOM 0 HB THR A 381 -1.806 -4.697 -5.800 1.00 15.00 H new ATOM 0 HG1 THR A 381 -0.258 -6.248 -4.865 1.00 15.00 H new ATOM 0 HG21 THR A 381 -1.934 -5.831 -7.990 1.00 15.00 H new ATOM 0 HG22 THR A 381 -1.463 -4.123 -8.161 1.00 15.00 H new ATOM 0 HG23 THR A 381 -0.235 -5.403 -8.305 1.00 15.00 H new ATOM 264 N TYR A 382 0.632 -2.542 -4.084 1.00 15.00 N ATOM 265 CA TYR A 382 0.738 -2.214 -2.674 1.00 15.00 C ATOM 266 C TYR A 382 -0.340 -1.219 -2.263 1.00 15.00 C ATOM 267 O TYR A 382 -0.561 -0.200 -2.922 1.00 15.00 O ATOM 268 CB TYR A 382 2.139 -1.675 -2.334 1.00 15.00 C ATOM 269 CG TYR A 382 2.629 -0.544 -3.219 1.00 15.00 C ATOM 270 CD1 TYR A 382 2.213 0.765 -3.012 1.00 15.00 C ATOM 271 CD2 TYR A 382 3.522 -0.788 -4.255 1.00 15.00 C ATOM 272 CE1 TYR A 382 2.666 1.796 -3.810 1.00 15.00 C ATOM 273 CE2 TYR A 382 3.982 0.238 -5.057 1.00 15.00 C ATOM 274 CZ TYR A 382 3.550 1.528 -4.831 1.00 15.00 C ATOM 275 OH TYR A 382 4.000 2.555 -5.634 1.00 15.00 O ATOM 0 H TYR A 382 0.839 -1.770 -4.718 1.00 15.00 H new ATOM 0 HA TYR A 382 0.585 -3.132 -2.106 1.00 15.00 H new ATOM 0 HB2 TYR A 382 2.137 -1.331 -1.300 1.00 15.00 H new ATOM 0 HB3 TYR A 382 2.852 -2.497 -2.395 1.00 15.00 H new ATOM 0 HD1 TYR A 382 1.521 0.980 -2.211 1.00 15.00 H new ATOM 0 HD2 TYR A 382 3.862 -1.797 -4.436 1.00 15.00 H new ATOM 0 HE1 TYR A 382 2.329 2.807 -3.635 1.00 15.00 H new ATOM 0 HE2 TYR A 382 4.677 0.031 -5.857 1.00 15.00 H new ATOM 0 HH TYR A 382 4.501 2.184 -6.390 1.00 15.00 H new ATOM 285 N TYR A 383 -1.031 -1.540 -1.184 1.00 15.00 N ATOM 286 CA TYR A 383 -1.985 -0.622 -0.589 1.00 15.00 C ATOM 287 C TYR A 383 -1.322 0.078 0.586 1.00 15.00 C ATOM 288 O TYR A 383 -0.951 -0.572 1.564 1.00 15.00 O ATOM 289 CB TYR A 383 -3.234 -1.370 -0.108 1.00 15.00 C ATOM 290 CG TYR A 383 -3.967 -2.124 -1.199 1.00 15.00 C ATOM 291 CD1 TYR A 383 -3.511 -3.358 -1.646 1.00 15.00 C ATOM 292 CD2 TYR A 383 -5.123 -1.606 -1.772 1.00 15.00 C ATOM 293 CE1 TYR A 383 -4.182 -4.052 -2.634 1.00 15.00 C ATOM 294 CE2 TYR A 383 -5.801 -2.295 -2.760 1.00 15.00 C ATOM 295 CZ TYR A 383 -5.326 -3.518 -3.188 1.00 15.00 C ATOM 296 OH TYR A 383 -5.996 -4.209 -4.170 1.00 15.00 O ATOM 0 H TYR A 383 -0.948 -2.434 -0.700 1.00 15.00 H new ATOM 0 HA TYR A 383 -2.293 0.108 -1.338 1.00 15.00 H new ATOM 0 HB2 TYR A 383 -2.944 -2.074 0.672 1.00 15.00 H new ATOM 0 HB3 TYR A 383 -3.919 -0.655 0.347 1.00 15.00 H new ATOM 0 HD1 TYR A 383 -2.617 -3.782 -1.214 1.00 15.00 H new ATOM 0 HD2 TYR A 383 -5.498 -0.649 -1.440 1.00 15.00 H new ATOM 0 HE1 TYR A 383 -3.812 -5.009 -2.971 1.00 15.00 H new ATOM 0 HE2 TYR A 383 -6.698 -1.878 -3.195 1.00 15.00 H new ATOM 0 HH TYR A 383 -6.782 -3.696 -4.453 1.00 15.00 H new ATOM 306 N VAL A 384 -1.132 1.386 0.481 1.00 15.00 N ATOM 307 CA VAL A 384 -0.474 2.134 1.543 1.00 15.00 C ATOM 308 C VAL A 384 -1.459 3.043 2.265 1.00 15.00 C ATOM 309 O VAL A 384 -2.384 3.583 1.659 1.00 15.00 O ATOM 310 CB VAL A 384 0.711 2.972 1.019 1.00 15.00 C ATOM 311 CG1 VAL A 384 1.787 2.084 0.422 1.00 15.00 C ATOM 312 CG2 VAL A 384 0.252 3.993 0.007 1.00 15.00 C ATOM 0 H VAL A 384 -1.421 1.947 -0.321 1.00 15.00 H new ATOM 0 HA VAL A 384 -0.084 1.396 2.244 1.00 15.00 H new ATOM 0 HB VAL A 384 1.138 3.503 1.870 1.00 15.00 H new ATOM 0 HG11 VAL A 384 2.609 2.702 0.061 1.00 15.00 H new ATOM 0 HG12 VAL A 384 2.156 1.397 1.184 1.00 15.00 H new ATOM 0 HG13 VAL A 384 1.369 1.514 -0.408 1.00 15.00 H new ATOM 0 HG21 VAL A 384 1.109 4.568 -0.344 1.00 15.00 H new ATOM 0 HG22 VAL A 384 -0.214 3.485 -0.837 1.00 15.00 H new ATOM 0 HG23 VAL A 384 -0.471 4.665 0.470 1.00 15.00 H new ATOM 322 N ASN A 385 -1.252 3.210 3.559 1.00 15.00 N ATOM 323 CA ASN A 385 -2.170 3.972 4.386 1.00 15.00 C ATOM 324 C ASN A 385 -1.458 5.098 5.119 1.00 15.00 C ATOM 325 O ASN A 385 -0.510 4.854 5.866 1.00 15.00 O ATOM 326 CB ASN A 385 -2.846 3.043 5.391 1.00 15.00 C ATOM 327 CG ASN A 385 -3.854 3.762 6.259 1.00 15.00 C ATOM 328 OD1 ASN A 385 -4.405 4.788 5.872 1.00 15.00 O ATOM 329 ND2 ASN A 385 -4.109 3.222 7.438 1.00 15.00 N ATOM 0 H ASN A 385 -0.452 2.826 4.062 1.00 15.00 H new ATOM 0 HA ASN A 385 -2.920 4.420 3.735 1.00 15.00 H new ATOM 0 HB2 ASN A 385 -3.344 2.235 4.855 1.00 15.00 H new ATOM 0 HB3 ASN A 385 -2.087 2.585 6.025 1.00 15.00 H new ATOM 0 HD21 ASN A 385 -4.786 3.659 8.064 1.00 15.00 H new ATOM 0 HD22 ASN A 385 -3.629 2.368 7.722 1.00 15.00 H new ATOM 336 N HIS A 386 -1.940 6.323 4.914 1.00 15.00 N ATOM 337 CA HIS A 386 -1.383 7.502 5.577 1.00 15.00 C ATOM 338 C HIS A 386 -1.855 7.592 7.023 1.00 15.00 C ATOM 339 O HIS A 386 -1.244 8.281 7.841 1.00 15.00 O ATOM 340 CB HIS A 386 -1.785 8.792 4.853 1.00 15.00 C ATOM 341 CG HIS A 386 -1.092 9.024 3.548 1.00 15.00 C ATOM 342 ND1 HIS A 386 0.155 9.602 3.452 1.00 15.00 N ATOM 343 CD2 HIS A 386 -1.493 8.784 2.280 1.00 15.00 C ATOM 344 CE1 HIS A 386 0.488 9.715 2.180 1.00 15.00 C ATOM 345 NE2 HIS A 386 -0.496 9.223 1.452 1.00 15.00 N ATOM 0 H HIS A 386 -2.721 6.526 4.290 1.00 15.00 H new ATOM 0 HA HIS A 386 -0.299 7.394 5.550 1.00 15.00 H new ATOM 0 HB2 HIS A 386 -2.861 8.773 4.678 1.00 15.00 H new ATOM 0 HB3 HIS A 386 -1.584 9.638 5.510 1.00 15.00 H new ATOM 0 HD2 HIS A 386 -2.425 8.331 1.977 1.00 15.00 H new ATOM 0 HE1 HIS A 386 1.407 10.137 1.801 1.00 15.00 H new ATOM 0 HE2 HIS A 386 -0.511 9.177 0.433 1.00 15.00 H new ATOM 354 N ASN A 387 -2.967 6.927 7.318 1.00 15.00 N ATOM 355 CA ASN A 387 -3.559 6.967 8.654 1.00 15.00 C ATOM 356 C ASN A 387 -2.648 6.321 9.677 1.00 15.00 C ATOM 357 O ASN A 387 -2.120 6.976 10.573 1.00 15.00 O ATOM 358 CB ASN A 387 -4.896 6.227 8.682 1.00 15.00 C ATOM 359 CG ASN A 387 -6.002 6.940 7.943 1.00 15.00 C ATOM 360 OD1 ASN A 387 -6.625 7.866 8.463 1.00 15.00 O ATOM 361 ND2 ASN A 387 -6.286 6.470 6.747 1.00 15.00 N ATOM 0 H ASN A 387 -3.479 6.352 6.649 1.00 15.00 H new ATOM 0 HA ASN A 387 -3.707 8.018 8.901 1.00 15.00 H new ATOM 0 HB2 ASN A 387 -4.762 5.236 8.248 1.00 15.00 H new ATOM 0 HB3 ASN A 387 -5.199 6.082 9.719 1.00 15.00 H new ATOM 0 HD21 ASN A 387 -7.052 6.875 6.208 1.00 15.00 H new ATOM 0 HD22 ASN A 387 -5.740 5.701 6.359 1.00 15.00 H new ATOM 368 N ASN A 388 -2.475 5.024 9.532 1.00 15.00 N ATOM 369 CA ASN A 388 -1.742 4.236 10.501 1.00 15.00 C ATOM 370 C ASN A 388 -0.302 4.030 10.044 1.00 15.00 C ATOM 371 O ASN A 388 0.550 3.591 10.817 1.00 15.00 O ATOM 372 CB ASN A 388 -2.471 2.912 10.756 1.00 15.00 C ATOM 373 CG ASN A 388 -2.201 1.832 9.724 1.00 15.00 C ATOM 374 OD1 ASN A 388 -1.918 2.104 8.558 1.00 15.00 O ATOM 375 ND2 ASN A 388 -2.321 0.590 10.153 1.00 15.00 N ATOM 0 H ASN A 388 -2.837 4.488 8.743 1.00 15.00 H new ATOM 0 HA ASN A 388 -1.698 4.773 11.449 1.00 15.00 H new ATOM 0 HB2 ASN A 388 -2.183 2.537 11.738 1.00 15.00 H new ATOM 0 HB3 ASN A 388 -3.543 3.104 10.790 1.00 15.00 H new ATOM 0 HD21 ASN A 388 -2.178 -0.188 9.509 1.00 15.00 H new ATOM 0 HD22 ASN A 388 -2.557 0.408 11.128 1.00 15.00 H new ATOM 382 N ARG A 389 -0.068 4.319 8.760 1.00 15.00 N ATOM 383 CA ARG A 389 1.251 4.225 8.140 1.00 15.00 C ATOM 384 C ARG A 389 1.664 2.774 7.964 1.00 15.00 C ATOM 385 O ARG A 389 2.540 2.265 8.662 1.00 15.00 O ATOM 386 CB ARG A 389 2.307 5.017 8.920 1.00 15.00 C ATOM 387 CG ARG A 389 2.002 6.506 8.996 1.00 15.00 C ATOM 388 CD ARG A 389 3.010 7.244 9.861 1.00 15.00 C ATOM 389 NE ARG A 389 4.352 7.230 9.285 1.00 15.00 N ATOM 390 CZ ARG A 389 5.470 7.279 10.008 1.00 15.00 C ATOM 391 NH1 ARG A 389 5.404 7.294 11.334 1.00 15.00 N1+ ATOM 392 NH2 ARG A 389 6.644 7.306 9.399 1.00 15.00 N ATOM 0 H ARG A 389 -0.798 4.628 8.118 1.00 15.00 H new ATOM 0 HA ARG A 389 1.181 4.678 7.151 1.00 15.00 H new ATOM 0 HB2 ARG A 389 2.380 4.615 9.931 1.00 15.00 H new ATOM 0 HB3 ARG A 389 3.280 4.875 8.449 1.00 15.00 H new ATOM 0 HG2 ARG A 389 2.005 6.930 7.992 1.00 15.00 H new ATOM 0 HG3 ARG A 389 1.000 6.652 9.400 1.00 15.00 H new ATOM 0 HD2 ARG A 389 2.685 8.276 9.993 1.00 15.00 H new ATOM 0 HD3 ARG A 389 3.037 6.789 10.851 1.00 15.00 H new ATOM 0 HE ARG A 389 4.438 7.180 8.270 1.00 15.00 H new ATOM 0 HH11 ARG A 389 4.497 7.268 11.800 1.00 15.00 H new ATOM 0 HH12 ARG A 389 6.260 7.331 11.887 1.00 15.00 H new ATOM 0 HH21 ARG A 389 6.691 7.289 8.380 1.00 15.00 H new ATOM 0 HH22 ARG A 389 7.503 7.344 9.948 1.00 15.00 H new ATOM 406 N THR A 390 0.988 2.103 7.047 1.00 15.00 N ATOM 407 CA THR A 390 1.242 0.699 6.782 1.00 15.00 C ATOM 408 C THR A 390 0.939 0.381 5.322 1.00 15.00 C ATOM 409 O THR A 390 0.118 1.054 4.695 1.00 15.00 O ATOM 410 CB THR A 390 0.413 -0.223 7.714 1.00 15.00 C ATOM 411 OG1 THR A 390 1.179 -1.379 8.067 1.00 15.00 O ATOM 412 CG2 THR A 390 -0.890 -0.671 7.058 1.00 15.00 C ATOM 0 H THR A 390 0.254 2.513 6.470 1.00 15.00 H new ATOM 0 HA THR A 390 2.296 0.508 6.984 1.00 15.00 H new ATOM 0 HB THR A 390 0.167 0.354 8.606 1.00 15.00 H new ATOM 0 HG1 THR A 390 0.649 -1.955 8.657 1.00 15.00 H new ATOM 0 HG21 THR A 390 -1.440 -1.315 7.744 1.00 15.00 H new ATOM 0 HG22 THR A 390 -1.495 0.203 6.816 1.00 15.00 H new ATOM 0 HG23 THR A 390 -0.667 -1.222 6.144 1.00 15.00 H new ATOM 420 N THR A 391 1.639 -0.592 4.770 1.00 15.00 N ATOM 421 CA THR A 391 1.370 -1.042 3.419 1.00 15.00 C ATOM 422 C THR A 391 1.206 -2.560 3.397 1.00 15.00 C ATOM 423 O THR A 391 1.880 -3.278 4.139 1.00 15.00 O ATOM 424 CB THR A 391 2.474 -0.591 2.437 1.00 15.00 C ATOM 425 OG1 THR A 391 2.172 -1.045 1.113 1.00 15.00 O ATOM 426 CG2 THR A 391 3.845 -1.104 2.856 1.00 15.00 C ATOM 0 H THR A 391 2.399 -1.086 5.238 1.00 15.00 H new ATOM 0 HA THR A 391 0.439 -0.582 3.088 1.00 15.00 H new ATOM 0 HB THR A 391 2.503 0.498 2.453 1.00 15.00 H new ATOM 0 HG1 THR A 391 1.203 -1.020 0.972 1.00 15.00 H new ATOM 0 HG21 THR A 391 4.594 -0.766 2.140 1.00 15.00 H new ATOM 0 HG22 THR A 391 4.090 -0.720 3.846 1.00 15.00 H new ATOM 0 HG23 THR A 391 3.834 -2.194 2.882 1.00 15.00 H new ATOM 434 N THR A 392 0.289 -3.041 2.573 1.00 15.00 N ATOM 435 CA THR A 392 -0.041 -4.456 2.540 1.00 15.00 C ATOM 436 C THR A 392 -0.446 -4.893 1.132 1.00 15.00 C ATOM 437 O THR A 392 -0.938 -4.084 0.342 1.00 15.00 O ATOM 438 CB THR A 392 -1.172 -4.783 3.541 1.00 15.00 C ATOM 439 OG1 THR A 392 -1.463 -6.186 3.526 1.00 15.00 O ATOM 440 CG2 THR A 392 -2.437 -3.987 3.231 1.00 15.00 C ATOM 0 H THR A 392 -0.242 -2.469 1.916 1.00 15.00 H new ATOM 0 HA THR A 392 0.852 -5.009 2.831 1.00 15.00 H new ATOM 0 HB THR A 392 -0.826 -4.499 4.535 1.00 15.00 H new ATOM 0 HG1 THR A 392 -2.180 -6.378 4.166 1.00 15.00 H new ATOM 0 HG21 THR A 392 -3.213 -4.241 3.954 1.00 15.00 H new ATOM 0 HG22 THR A 392 -2.220 -2.921 3.291 1.00 15.00 H new ATOM 0 HG23 THR A 392 -2.783 -4.231 2.227 1.00 15.00 H new ATOM 448 N TRP A 393 -0.185 -6.161 0.807 1.00 15.00 N ATOM 449 CA TRP A 393 -0.603 -6.730 -0.474 1.00 15.00 C ATOM 450 C TRP A 393 -2.111 -6.992 -0.475 1.00 15.00 C ATOM 451 O TRP A 393 -2.709 -7.241 -1.523 1.00 15.00 O ATOM 452 CB TRP A 393 0.103 -8.064 -0.758 1.00 15.00 C ATOM 453 CG TRP A 393 1.602 -8.043 -0.680 1.00 15.00 C ATOM 454 CD1 TRP A 393 2.383 -8.785 0.159 1.00 15.00 C ATOM 455 CD2 TRP A 393 2.504 -7.272 -1.481 1.00 15.00 C ATOM 456 NE1 TRP A 393 3.705 -8.524 -0.072 1.00 15.00 N ATOM 457 CE2 TRP A 393 3.808 -7.593 -1.063 1.00 15.00 C ATOM 458 CE3 TRP A 393 2.339 -6.343 -2.505 1.00 15.00 C ATOM 459 CZ2 TRP A 393 4.938 -7.017 -1.628 1.00 15.00 C ATOM 460 CZ3 TRP A 393 3.463 -5.765 -3.072 1.00 15.00 C ATOM 461 CH2 TRP A 393 4.749 -6.104 -2.630 1.00 15.00 C ATOM 0 H TRP A 393 0.314 -6.812 1.413 1.00 15.00 H new ATOM 0 HA TRP A 393 -0.336 -6.005 -1.243 1.00 15.00 H new ATOM 0 HB2 TRP A 393 -0.268 -8.807 -0.051 1.00 15.00 H new ATOM 0 HB3 TRP A 393 -0.185 -8.400 -1.754 1.00 15.00 H new ATOM 0 HD1 TRP A 393 2.010 -9.478 0.899 1.00 15.00 H new ATOM 0 HE1 TRP A 393 4.488 -8.956 0.418 1.00 15.00 H new ATOM 0 HE3 TRP A 393 1.351 -6.077 -2.851 1.00 15.00 H new ATOM 0 HZ2 TRP A 393 5.929 -7.280 -1.289 1.00 15.00 H new ATOM 0 HZ3 TRP A 393 3.347 -5.043 -3.866 1.00 15.00 H new ATOM 0 HH2 TRP A 393 5.607 -5.636 -3.089 1.00 15.00 H new ATOM 472 N THR A 394 -2.708 -6.970 0.709 1.00 15.00 N ATOM 473 CA THR A 394 -4.103 -7.352 0.880 1.00 15.00 C ATOM 474 C THR A 394 -5.045 -6.186 0.580 1.00 15.00 C ATOM 475 O THR A 394 -4.738 -5.038 0.896 1.00 15.00 O ATOM 476 CB THR A 394 -4.342 -7.847 2.320 1.00 15.00 C ATOM 477 OG1 THR A 394 -3.296 -8.751 2.695 1.00 15.00 O ATOM 478 CG2 THR A 394 -5.685 -8.550 2.448 1.00 15.00 C ATOM 0 H THR A 394 -2.243 -6.689 1.572 1.00 15.00 H new ATOM 0 HA THR A 394 -4.316 -8.154 0.173 1.00 15.00 H new ATOM 0 HB THR A 394 -4.345 -6.980 2.981 1.00 15.00 H new ATOM 0 HG1 THR A 394 -2.524 -8.242 3.019 1.00 15.00 H new ATOM 0 HG21 THR A 394 -5.823 -8.887 3.475 1.00 15.00 H new ATOM 0 HG22 THR A 394 -6.485 -7.858 2.183 1.00 15.00 H new ATOM 0 HG23 THR A 394 -5.711 -9.409 1.778 1.00 15.00 H new ATOM 486 N ARG A 395 -6.185 -6.489 -0.034 1.00 15.00 N ATOM 487 CA ARG A 395 -7.195 -5.480 -0.319 1.00 15.00 C ATOM 488 C ARG A 395 -7.981 -5.142 0.944 1.00 15.00 C ATOM 489 O ARG A 395 -8.671 -5.995 1.500 1.00 15.00 O ATOM 490 CB ARG A 395 -8.155 -5.973 -1.410 1.00 15.00 C ATOM 491 CG ARG A 395 -9.340 -5.048 -1.657 1.00 15.00 C ATOM 492 CD ARG A 395 -8.891 -3.695 -2.178 1.00 15.00 C ATOM 493 NE ARG A 395 -9.498 -2.590 -1.437 1.00 15.00 N ATOM 494 CZ ARG A 395 -9.383 -1.317 -1.799 1.00 15.00 C ATOM 495 NH1 ARG A 395 -8.857 -1.007 -2.978 1.00 15.00 N1+ ATOM 496 NH2 ARG A 395 -9.829 -0.352 -1.007 1.00 15.00 N ATOM 0 H ARG A 395 -6.431 -7.429 -0.344 1.00 15.00 H new ATOM 0 HA ARG A 395 -6.689 -4.582 -0.673 1.00 15.00 H new ATOM 0 HB2 ARG A 395 -7.600 -6.092 -2.341 1.00 15.00 H new ATOM 0 HB3 ARG A 395 -8.528 -6.959 -1.133 1.00 15.00 H new ATOM 0 HG2 ARG A 395 -10.019 -5.508 -2.375 1.00 15.00 H new ATOM 0 HG3 ARG A 395 -9.898 -4.915 -0.730 1.00 15.00 H new ATOM 0 HD2 ARG A 395 -7.805 -3.623 -2.110 1.00 15.00 H new ATOM 0 HD3 ARG A 395 -9.151 -3.609 -3.233 1.00 15.00 H new ATOM 0 HE ARG A 395 -10.037 -2.808 -0.599 1.00 15.00 H new ATOM 0 HH11 ARG A 395 -8.541 -1.746 -3.606 1.00 15.00 H new ATOM 0 HH12 ARG A 395 -8.769 -0.030 -3.256 1.00 15.00 H new ATOM 0 HH21 ARG A 395 -10.263 -0.585 -0.114 1.00 15.00 H new ATOM 0 HH22 ARG A 395 -9.738 0.624 -1.291 1.00 15.00 H new ATOM 510 N PRO A 396 -7.868 -3.899 1.426 1.00 15.00 N ATOM 511 CA PRO A 396 -8.660 -3.431 2.555 1.00 15.00 C ATOM 512 C PRO A 396 -10.115 -3.215 2.156 1.00 15.00 C ATOM 513 O PRO A 396 -10.423 -2.354 1.329 1.00 15.00 O ATOM 514 CB PRO A 396 -7.995 -2.110 2.947 1.00 15.00 C ATOM 515 CG PRO A 396 -7.311 -1.636 1.711 1.00 15.00 C ATOM 516 CD PRO A 396 -6.954 -2.863 0.915 1.00 15.00 C ATOM 0 HA PRO A 396 -8.685 -4.149 3.375 1.00 15.00 H new ATOM 0 HB2 PRO A 396 -8.732 -1.385 3.292 1.00 15.00 H new ATOM 0 HB3 PRO A 396 -7.284 -2.253 3.761 1.00 15.00 H new ATOM 0 HG2 PRO A 396 -7.963 -0.978 1.136 1.00 15.00 H new ATOM 0 HG3 PRO A 396 -6.418 -1.062 1.959 1.00 15.00 H new ATOM 0 HD2 PRO A 396 -7.093 -2.700 -0.154 1.00 15.00 H new ATOM 0 HD3 PRO A 396 -5.911 -3.144 1.061 1.00 15.00 H new ATOM 524 N ILE A 397 -10.996 -4.046 2.690 1.00 15.00 N ATOM 525 CA ILE A 397 -12.417 -3.925 2.414 1.00 15.00 C ATOM 526 C ILE A 397 -13.084 -3.009 3.438 1.00 15.00 C ATOM 527 O ILE A 397 -13.975 -2.224 3.105 1.00 15.00 O ATOM 528 CB ILE A 397 -13.114 -5.310 2.387 1.00 15.00 C ATOM 529 CG1 ILE A 397 -14.611 -5.160 2.094 1.00 15.00 C ATOM 530 CG2 ILE A 397 -12.900 -6.061 3.694 1.00 15.00 C ATOM 531 CD1 ILE A 397 -14.906 -4.527 0.752 1.00 15.00 C ATOM 0 H ILE A 397 -10.751 -4.812 3.317 1.00 15.00 H new ATOM 0 HA ILE A 397 -12.525 -3.483 1.424 1.00 15.00 H new ATOM 0 HB ILE A 397 -12.661 -5.893 1.585 1.00 15.00 H new ATOM 0 HG12 ILE A 397 -15.081 -6.143 2.134 1.00 15.00 H new ATOM 0 HG13 ILE A 397 -15.067 -4.557 2.879 1.00 15.00 H new ATOM 0 HG21 ILE A 397 -13.401 -7.028 3.644 1.00 15.00 H new ATOM 0 HG22 ILE A 397 -11.833 -6.213 3.856 1.00 15.00 H new ATOM 0 HG23 ILE A 397 -13.313 -5.481 4.519 1.00 15.00 H new ATOM 0 HD11 ILE A 397 -15.985 -4.453 0.614 1.00 15.00 H new ATOM 0 HD12 ILE A 397 -14.466 -3.530 0.715 1.00 15.00 H new ATOM 0 HD13 ILE A 397 -14.480 -5.141 -0.041 1.00 15.00 H new ATOM 543 N GLY A 398 -12.637 -3.105 4.680 1.00 15.00 N ATOM 544 CA GLY A 398 -13.202 -2.296 5.734 1.00 15.00 C ATOM 545 C GLY A 398 -12.476 -0.979 5.881 1.00 15.00 C ATOM 546 O GLY A 398 -11.258 -0.938 5.616 1.00 15.00 O ATOM 547 OXT GLY A 398 -13.118 0.020 6.261 1.00 15.00 O ATOM 0 H GLY A 398 -11.889 -3.732 4.976 1.00 15.00 H new ATOM 0 HA2 GLY A 398 -14.255 -2.109 5.524 1.00 15.00 H new ATOM 0 HA3 GLY A 398 -13.157 -2.843 6.676 1.00 15.00 H new TER 551 GLY A 398 ATOM 552 N GLU B 203 0.196 -13.335 -4.046 1.00 15.00 N ATOM 553 CA GLU B 203 1.349 -12.537 -4.519 1.00 15.00 C ATOM 554 C GLU B 203 2.662 -13.255 -4.215 1.00 15.00 C ATOM 555 O GLU B 203 3.622 -13.132 -4.976 1.00 15.00 O ATOM 556 CB GLU B 203 1.351 -11.114 -3.907 1.00 15.00 C ATOM 557 CG GLU B 203 1.526 -11.052 -2.394 1.00 15.00 C ATOM 558 CD GLU B 203 0.456 -11.810 -1.636 1.00 15.00 C ATOM 559 OE1 GLU B 203 0.627 -13.032 -1.444 1.00 15.00 O1- ATOM 560 OE2 GLU B 203 -0.566 -11.202 -1.266 1.00 15.00 O ATOM 0 HA GLU B 203 1.252 -12.430 -5.599 1.00 15.00 H new ATOM 0 HB2 GLU B 203 2.151 -10.538 -4.372 1.00 15.00 H new ATOM 0 HB3 GLU B 203 0.413 -10.624 -4.167 1.00 15.00 H new ATOM 0 HG2 GLU B 203 2.503 -11.457 -2.131 1.00 15.00 H new ATOM 0 HG3 GLU B 203 1.517 -10.009 -2.076 1.00 15.00 H new ATOM 569 N LEU B 204 2.705 -13.981 -3.086 1.00 15.00 N ATOM 570 CA LEU B 204 3.884 -14.759 -2.689 1.00 15.00 C ATOM 571 C LEU B 204 5.099 -13.852 -2.489 1.00 15.00 C ATOM 572 O LEU B 204 6.241 -14.317 -2.448 1.00 15.00 O ATOM 573 CB LEU B 204 4.194 -15.832 -3.741 1.00 15.00 C ATOM 574 CG LEU B 204 3.096 -16.876 -3.954 1.00 15.00 C ATOM 575 CD1 LEU B 204 3.485 -17.837 -5.068 1.00 15.00 C ATOM 576 CD2 LEU B 204 2.826 -17.636 -2.665 1.00 15.00 C ATOM 0 H LEU B 204 1.928 -14.044 -2.428 1.00 15.00 H new ATOM 0 HA LEU B 204 3.662 -15.247 -1.740 1.00 15.00 H new ATOM 0 HB2 LEU B 204 4.392 -15.338 -4.692 1.00 15.00 H new ATOM 0 HB3 LEU B 204 5.110 -16.347 -3.452 1.00 15.00 H new ATOM 0 HG LEU B 204 2.182 -16.360 -4.247 1.00 15.00 H new ATOM 0 HD11 LEU B 204 2.693 -18.573 -5.207 1.00 15.00 H new ATOM 0 HD12 LEU B 204 3.630 -17.281 -5.994 1.00 15.00 H new ATOM 0 HD13 LEU B 204 4.411 -18.346 -4.802 1.00 15.00 H new ATOM 0 HD21 LEU B 204 2.042 -18.374 -2.835 1.00 15.00 H new ATOM 0 HD22 LEU B 204 3.737 -18.141 -2.343 1.00 15.00 H new ATOM 0 HD23 LEU B 204 2.505 -16.938 -1.892 1.00 15.00 H new ATOM 588 N GLU B 205 4.839 -12.568 -2.310 1.00 15.00 N ATOM 589 CA GLU B 205 5.894 -11.570 -2.240 1.00 15.00 C ATOM 590 C GLU B 205 6.248 -11.205 -0.811 1.00 15.00 C ATOM 591 O GLU B 205 5.381 -11.131 0.063 1.00 15.00 O ATOM 592 CB GLU B 205 5.485 -10.311 -2.999 1.00 15.00 C ATOM 593 CG GLU B 205 5.775 -10.388 -4.488 1.00 15.00 C ATOM 594 CD GLU B 205 7.252 -10.590 -4.766 1.00 15.00 C ATOM 595 OE1 GLU B 205 8.010 -9.596 -4.740 1.00 15.00 O1- ATOM 596 OE2 GLU B 205 7.668 -11.748 -4.986 1.00 15.00 O ATOM 0 H GLU B 205 3.897 -12.189 -2.210 1.00 15.00 H new ATOM 0 HA GLU B 205 6.778 -12.011 -2.701 1.00 15.00 H new ATOM 0 HB2 GLU B 205 4.419 -10.136 -2.852 1.00 15.00 H new ATOM 0 HB3 GLU B 205 6.010 -9.454 -2.577 1.00 15.00 H new ATOM 0 HG2 GLU B 205 5.207 -11.209 -4.927 1.00 15.00 H new ATOM 0 HG3 GLU B 205 5.436 -9.472 -4.972 1.00 15.00 H new ATOM 603 N SER B 206 7.537 -10.973 -0.601 1.00 15.00 N ATOM 604 CA SER B 206 8.042 -10.412 0.638 1.00 15.00 C ATOM 605 C SER B 206 7.255 -9.151 0.993 1.00 15.00 C ATOM 606 O SER B 206 6.864 -8.403 0.098 1.00 15.00 O ATOM 607 CB SER B 206 9.518 -10.069 0.451 1.00 15.00 C ATOM 608 OG SER B 206 10.161 -11.053 -0.344 1.00 15.00 O ATOM 0 H SER B 206 8.262 -11.171 -1.290 1.00 15.00 H new ATOM 0 HA SER B 206 7.929 -11.133 1.447 1.00 15.00 H new ATOM 0 HB2 SER B 206 9.613 -9.092 -0.022 1.00 15.00 H new ATOM 0 HB3 SER B 206 10.007 -10.001 1.423 1.00 15.00 H new ATOM 0 HG SER B 206 11.106 -10.817 -0.456 1.00 15.00 H new ATOM 614 N PRO B 207 7.033 -8.892 2.290 1.00 15.00 N ATOM 615 CA PRO B 207 6.239 -7.745 2.753 1.00 15.00 C ATOM 616 C PRO B 207 6.655 -6.434 2.082 1.00 15.00 C ATOM 617 O PRO B 207 7.853 -6.170 1.934 1.00 15.00 O ATOM 618 CB PRO B 207 6.542 -7.696 4.245 1.00 15.00 C ATOM 619 CG PRO B 207 6.842 -9.105 4.604 1.00 15.00 C ATOM 620 CD PRO B 207 7.536 -9.700 3.414 1.00 15.00 C ATOM 0 HA PRO B 207 5.181 -7.859 2.516 1.00 15.00 H new ATOM 0 HB2 PRO B 207 7.388 -7.042 4.458 1.00 15.00 H new ATOM 0 HB3 PRO B 207 5.693 -7.313 4.811 1.00 15.00 H new ATOM 0 HG2 PRO B 207 7.476 -9.155 5.490 1.00 15.00 H new ATOM 0 HG3 PRO B 207 5.928 -9.651 4.835 1.00 15.00 H new ATOM 0 HD2 PRO B 207 8.620 -9.632 3.505 1.00 15.00 H new ATOM 0 HD3 PRO B 207 7.292 -10.755 3.292 1.00 15.00 H new ATOM 628 N PRO B 208 5.669 -5.600 1.681 1.00 15.00 N ATOM 629 CA PRO B 208 5.911 -4.365 0.920 1.00 15.00 C ATOM 630 C PRO B 208 7.001 -3.472 1.508 1.00 15.00 C ATOM 631 O PRO B 208 7.269 -3.497 2.715 1.00 15.00 O ATOM 632 CB PRO B 208 4.566 -3.645 0.991 1.00 15.00 C ATOM 633 CG PRO B 208 3.573 -4.734 1.094 1.00 15.00 C ATOM 634 CD PRO B 208 4.223 -5.799 1.932 1.00 15.00 C ATOM 0 HA PRO B 208 6.262 -4.595 -0.086 1.00 15.00 H new ATOM 0 HB2 PRO B 208 4.517 -2.979 1.852 1.00 15.00 H new ATOM 0 HB3 PRO B 208 4.395 -3.033 0.105 1.00 15.00 H new ATOM 0 HG2 PRO B 208 2.651 -4.381 1.556 1.00 15.00 H new ATOM 0 HG3 PRO B 208 3.309 -5.118 0.109 1.00 15.00 H new ATOM 0 HD2 PRO B 208 3.979 -5.684 2.988 1.00 15.00 H new ATOM 0 HD3 PRO B 208 3.898 -6.797 1.637 1.00 15.00 H new ATOM 642 N PRO B 209 7.610 -2.646 0.640 1.00 15.00 N ATOM 643 CA PRO B 209 8.654 -1.693 1.030 1.00 15.00 C ATOM 644 C PRO B 209 8.191 -0.808 2.184 1.00 15.00 C ATOM 645 O PRO B 209 7.080 -0.278 2.152 1.00 15.00 O ATOM 646 CB PRO B 209 8.861 -0.861 -0.239 1.00 15.00 C ATOM 647 CG PRO B 209 8.434 -1.754 -1.349 1.00 15.00 C ATOM 648 CD PRO B 209 7.302 -2.564 -0.799 1.00 15.00 C ATOM 0 HA PRO B 209 9.563 -2.182 1.380 1.00 15.00 H new ATOM 0 HB2 PRO B 209 8.267 0.053 -0.215 1.00 15.00 H new ATOM 0 HB3 PRO B 209 9.903 -0.561 -0.350 1.00 15.00 H new ATOM 0 HG2 PRO B 209 8.117 -1.176 -2.217 1.00 15.00 H new ATOM 0 HG3 PRO B 209 9.253 -2.395 -1.674 1.00 15.00 H new ATOM 0 HD2 PRO B 209 6.340 -2.084 -0.978 1.00 15.00 H new ATOM 0 HD3 PRO B 209 7.255 -3.552 -1.257 1.00 15.00 H new ATOM 656 N PRO B 210 9.041 -0.641 3.215 1.00 15.00 N ATOM 657 CA PRO B 210 8.684 0.095 4.430 1.00 15.00 C ATOM 658 C PRO B 210 8.082 1.464 4.131 1.00 15.00 C ATOM 659 O PRO B 210 8.718 2.321 3.511 1.00 15.00 O ATOM 660 CB PRO B 210 10.014 0.243 5.185 1.00 15.00 C ATOM 661 CG PRO B 210 11.076 -0.192 4.227 1.00 15.00 C ATOM 662 CD PRO B 210 10.416 -1.148 3.277 1.00 15.00 C ATOM 0 HA PRO B 210 7.919 -0.431 5.002 1.00 15.00 H new ATOM 0 HB2 PRO B 210 10.171 1.274 5.502 1.00 15.00 H new ATOM 0 HB3 PRO B 210 10.023 -0.372 6.085 1.00 15.00 H new ATOM 0 HG2 PRO B 210 11.492 0.662 3.693 1.00 15.00 H new ATOM 0 HG3 PRO B 210 11.901 -0.673 4.752 1.00 15.00 H new ATOM 0 HD2 PRO B 210 10.895 -1.141 2.298 1.00 15.00 H new ATOM 0 HD3 PRO B 210 10.453 -2.174 3.643 1.00 15.00 H new ATOM 670 N TYR B 211 6.852 1.658 4.579 1.00 15.00 N ATOM 671 CA TYR B 211 6.126 2.885 4.318 1.00 15.00 C ATOM 672 C TYR B 211 6.467 3.930 5.369 1.00 15.00 C ATOM 673 O TYR B 211 6.040 3.829 6.517 1.00 15.00 O ATOM 674 CB TYR B 211 4.621 2.612 4.304 1.00 15.00 C ATOM 675 CG TYR B 211 3.789 3.767 3.800 1.00 15.00 C ATOM 676 CD1 TYR B 211 3.885 4.181 2.480 1.00 15.00 C ATOM 677 CD2 TYR B 211 2.896 4.429 4.633 1.00 15.00 C ATOM 678 CE1 TYR B 211 3.116 5.219 2.004 1.00 15.00 C ATOM 679 CE2 TYR B 211 2.127 5.473 4.162 1.00 15.00 C ATOM 680 CZ TYR B 211 2.240 5.863 2.847 1.00 15.00 C ATOM 681 OH TYR B 211 1.464 6.886 2.366 1.00 15.00 O ATOM 0 H TYR B 211 6.334 0.973 5.130 1.00 15.00 H new ATOM 0 HA TYR B 211 6.419 3.268 3.341 1.00 15.00 H new ATOM 0 HB2 TYR B 211 4.427 1.739 3.681 1.00 15.00 H new ATOM 0 HB3 TYR B 211 4.299 2.360 5.314 1.00 15.00 H new ATOM 0 HD1 TYR B 211 4.574 3.681 1.815 1.00 15.00 H new ATOM 0 HD2 TYR B 211 2.802 4.122 5.664 1.00 15.00 H new ATOM 0 HE1 TYR B 211 3.200 5.527 0.972 1.00 15.00 H new ATOM 0 HE2 TYR B 211 1.440 5.982 4.822 1.00 15.00 H new ATOM 0 HH TYR B 211 0.888 7.224 3.083 1.00 15.00 H new ATOM 691 N SER B 212 7.266 4.909 4.983 1.00 15.00 N ATOM 692 CA SER B 212 7.664 5.952 5.906 1.00 15.00 C ATOM 693 C SER B 212 6.695 7.130 5.825 1.00 15.00 C ATOM 694 O SER B 212 5.847 7.307 6.702 1.00 15.00 O ATOM 695 CB SER B 212 9.089 6.399 5.581 1.00 15.00 C ATOM 696 OG SER B 212 9.942 5.275 5.425 1.00 15.00 O ATOM 0 H SER B 212 7.649 5.002 4.042 1.00 15.00 H new ATOM 0 HA SER B 212 7.638 5.564 6.924 1.00 15.00 H new ATOM 0 HB2 SER B 212 9.090 6.993 4.667 1.00 15.00 H new ATOM 0 HB3 SER B 212 9.465 7.040 6.378 1.00 15.00 H new ATOM 0 HG SER B 212 10.850 5.580 5.216 1.00 15.00 H new ATOM 702 N ARG B 213 6.810 7.920 4.765 1.00 15.00 N ATOM 703 CA ARG B 213 5.875 9.015 4.528 1.00 15.00 C ATOM 704 C ARG B 213 5.146 8.850 3.197 1.00 15.00 C ATOM 705 O ARG B 213 3.921 8.935 3.133 1.00 15.00 O ATOM 706 CB ARG B 213 6.588 10.367 4.581 1.00 15.00 C ATOM 707 CG ARG B 213 7.272 10.636 5.914 1.00 15.00 C ATOM 708 CD ARG B 213 7.760 12.070 6.020 1.00 15.00 C ATOM 709 NE ARG B 213 8.688 12.423 4.946 1.00 15.00 N ATOM 710 CZ ARG B 213 9.576 13.410 5.030 1.00 15.00 C ATOM 711 NH1 ARG B 213 9.704 14.101 6.154 1.00 15.00 N1+ ATOM 712 NH2 ARG B 213 10.349 13.694 3.990 1.00 15.00 N ATOM 0 H ARG B 213 7.538 7.824 4.057 1.00 15.00 H new ATOM 0 HA ARG B 213 5.132 8.985 5.325 1.00 15.00 H new ATOM 0 HB2 ARG B 213 7.331 10.409 3.784 1.00 15.00 H new ATOM 0 HB3 ARG B 213 5.865 11.159 4.385 1.00 15.00 H new ATOM 0 HG2 ARG B 213 6.577 10.428 6.727 1.00 15.00 H new ATOM 0 HG3 ARG B 213 8.115 9.956 6.033 1.00 15.00 H new ATOM 0 HD2 ARG B 213 6.905 12.745 5.994 1.00 15.00 H new ATOM 0 HD3 ARG B 213 8.251 12.214 6.983 1.00 15.00 H new ATOM 0 HE ARG B 213 8.652 11.881 4.083 1.00 15.00 H new ATOM 0 HH11 ARG B 213 9.120 13.877 6.960 1.00 15.00 H new ATOM 0 HH12 ARG B 213 10.386 14.857 6.213 1.00 15.00 H new ATOM 0 HH21 ARG B 213 10.262 13.156 3.128 1.00 15.00 H new ATOM 0 HH22 ARG B 213 11.030 14.450 4.053 1.00 15.00 H new ATOM 726 N TYR B 214 5.911 8.637 2.131 1.00 15.00 N ATOM 727 CA TYR B 214 5.345 8.490 0.798 1.00 15.00 C ATOM 728 C TYR B 214 5.530 7.054 0.299 1.00 15.00 C ATOM 729 O TYR B 214 6.444 6.363 0.755 1.00 15.00 O ATOM 730 CB TYR B 214 6.020 9.469 -0.169 1.00 15.00 C ATOM 731 CG TYR B 214 5.820 10.924 0.194 1.00 15.00 C ATOM 732 CD1 TYR B 214 4.654 11.592 -0.158 1.00 15.00 C ATOM 733 CD2 TYR B 214 6.798 11.630 0.885 1.00 15.00 C ATOM 734 CE1 TYR B 214 4.468 12.922 0.168 1.00 15.00 C ATOM 735 CE2 TYR B 214 6.618 12.960 1.213 1.00 15.00 C ATOM 736 CZ TYR B 214 5.451 13.600 0.854 1.00 15.00 C ATOM 737 OH TYR B 214 5.272 14.926 1.174 1.00 15.00 O ATOM 0 H TYR B 214 6.928 8.562 2.167 1.00 15.00 H new ATOM 0 HA TYR B 214 4.279 8.712 0.844 1.00 15.00 H new ATOM 0 HB2 TYR B 214 7.088 9.256 -0.200 1.00 15.00 H new ATOM 0 HB3 TYR B 214 5.632 9.298 -1.173 1.00 15.00 H new ATOM 0 HD1 TYR B 214 3.880 11.063 -0.695 1.00 15.00 H new ATOM 0 HD2 TYR B 214 7.713 11.131 1.170 1.00 15.00 H new ATOM 0 HE1 TYR B 214 3.556 13.427 -0.114 1.00 15.00 H new ATOM 0 HE2 TYR B 214 7.388 13.496 1.748 1.00 15.00 H new ATOM 0 HH TYR B 214 6.058 15.255 1.658 1.00 15.00 H new ATOM 747 N PRO B 215 4.683 6.578 -0.643 1.00 15.00 N ATOM 748 CA PRO B 215 4.821 5.234 -1.209 1.00 15.00 C ATOM 749 C PRO B 215 6.005 5.139 -2.169 1.00 15.00 C ATOM 750 O PRO B 215 6.092 5.898 -3.134 1.00 15.00 O ATOM 751 CB PRO B 215 3.508 5.002 -1.972 1.00 15.00 C ATOM 752 CG PRO B 215 2.640 6.182 -1.687 1.00 15.00 C ATOM 753 CD PRO B 215 3.545 7.295 -1.244 1.00 15.00 C ATOM 0 HA PRO B 215 5.004 4.493 -0.431 1.00 15.00 H new ATOM 0 HB2 PRO B 215 3.693 4.905 -3.042 1.00 15.00 H new ATOM 0 HB3 PRO B 215 3.028 4.079 -1.647 1.00 15.00 H new ATOM 0 HG2 PRO B 215 2.079 6.472 -2.575 1.00 15.00 H new ATOM 0 HG3 PRO B 215 1.911 5.946 -0.912 1.00 15.00 H new ATOM 0 HD2 PRO B 215 3.858 7.918 -2.082 1.00 15.00 H new ATOM 0 HD3 PRO B 215 3.056 7.951 -0.524 1.00 15.00 H new ATOM 761 N MET B 216 6.904 4.202 -1.907 1.00 15.00 N ATOM 762 CA MET B 216 8.097 4.044 -2.726 1.00 15.00 C ATOM 763 C MET B 216 8.410 2.563 -2.954 1.00 15.00 C ATOM 764 O MET B 216 8.663 1.822 -2.007 1.00 15.00 O ATOM 765 CB MET B 216 9.290 4.752 -2.063 1.00 15.00 C ATOM 766 CG MET B 216 9.567 4.298 -0.637 1.00 15.00 C ATOM 767 SD MET B 216 10.905 5.221 0.146 1.00 15.00 S ATOM 768 CE MET B 216 10.966 4.421 1.748 1.00 15.00 C ATOM 0 H MET B 216 6.830 3.540 -1.134 1.00 15.00 H new ATOM 0 HA MET B 216 7.912 4.502 -3.698 1.00 15.00 H new ATOM 0 HB2 MET B 216 10.181 4.582 -2.667 1.00 15.00 H new ATOM 0 HB3 MET B 216 9.106 5.826 -2.062 1.00 15.00 H new ATOM 0 HG2 MET B 216 8.660 4.409 -0.043 1.00 15.00 H new ATOM 0 HG3 MET B 216 9.818 3.237 -0.641 1.00 15.00 H new ATOM 0 HE1 MET B 216 11.747 4.880 2.354 1.00 15.00 H new ATOM 0 HE2 MET B 216 10.004 4.535 2.248 1.00 15.00 H new ATOM 0 HE3 MET B 216 11.184 3.361 1.617 1.00 15.00 H new ATOM 778 N ASP B 217 8.366 2.135 -4.209 1.00 15.00 N ATOM 779 CA ASP B 217 8.685 0.759 -4.567 1.00 15.00 C ATOM 780 C ASP B 217 9.855 0.746 -5.539 1.00 15.00 C ATOM 781 O ASP B 217 10.942 0.275 -5.155 1.00 15.00 O ATOM 782 CB ASP B 217 7.460 0.067 -5.179 1.00 15.00 C ATOM 783 CG ASP B 217 7.748 -1.341 -5.673 1.00 15.00 C ATOM 784 OD1 ASP B 217 7.762 -2.285 -4.849 1.00 15.00 O1- ATOM 785 OD2 ASP B 217 7.923 -1.513 -6.897 1.00 15.00 O ATOM 786 OXT ASP B 217 9.703 1.285 -6.659 1.00 15.00 O ATOM 0 H ASP B 217 8.111 2.725 -5.001 1.00 15.00 H new ATOM 0 HA ASP B 217 8.966 0.209 -3.669 1.00 15.00 H new ATOM 0 HB2 ASP B 217 6.664 0.028 -4.435 1.00 15.00 H new ATOM 0 HB3 ASP B 217 7.090 0.667 -6.010 1.00 15.00 H new TER 791 ASP B 217