USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 405 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 Single : A 136 TYR OH : rot 180:sc= 0 USER MOD Single : A 154 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 164 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.324) USER MOD Single : A 168 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.18) USER MOD Single : A 171 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 175 SER OG : rot 180:sc= 0 USER MOD Single : A 178 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 181 MET CE :methyl 124:sc= -0.0592 (180deg=-0.378) USER MOD Single : A 186 TYR OH : rot 180:sc= 0 USER MOD Single : A 189 LYS NZ :NH3+ -154:sc= -0.0531 (180deg=-0.319) USER MOD Single : A 190 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N TYR A 136 -1.989 -2.546 0.202 1.00 0.00 N ATOM 20 CA TYR A 136 -3.229 -3.001 -0.406 1.00 0.00 C ATOM 21 C TYR A 136 -4.368 -2.019 -0.126 1.00 0.00 C ATOM 22 O TYR A 136 -4.163 -0.990 0.517 1.00 0.00 O ATOM 23 CB TYR A 136 -3.555 -4.342 0.255 1.00 0.00 C ATOM 24 CG TYR A 136 -2.334 -5.237 0.479 1.00 0.00 C ATOM 25 CD1 TYR A 136 -1.337 -5.298 -0.474 1.00 0.00 C ATOM 26 CD2 TYR A 136 -2.230 -5.986 1.635 1.00 0.00 C ATOM 27 CE1 TYR A 136 -0.189 -6.141 -0.262 1.00 0.00 C ATOM 28 CE2 TYR A 136 -1.081 -6.828 1.846 1.00 0.00 C ATOM 29 CZ TYR A 136 -0.118 -6.864 0.887 1.00 0.00 C ATOM 30 OH TYR A 136 0.966 -7.659 1.087 1.00 0.00 O ATOM 0 HA TYR A 136 -3.119 -3.083 -1.487 1.00 0.00 H new ATOM 0 HB2 TYR A 136 -4.037 -4.155 1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 136 -4.275 -4.876 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 136 -1.418 -4.713 -1.379 1.00 0.00 H new ATOM 0 HD2 TYR A 136 -3.010 -5.940 2.380 1.00 0.00 H new ATOM 0 HE1 TYR A 136 0.598 -6.198 -0.999 1.00 0.00 H new ATOM 0 HE2 TYR A 136 -0.986 -7.418 2.746 1.00 0.00 H new ATOM 0 HH TYR A 136 0.882 -8.115 1.950 1.00 0.00 H new ATOM 40 N VAL A 137 -5.545 -2.371 -0.624 1.00 0.00 N ATOM 41 CA VAL A 137 -6.718 -1.533 -0.435 1.00 0.00 C ATOM 42 C VAL A 137 -7.712 -2.253 0.478 1.00 0.00 C ATOM 43 O VAL A 137 -7.611 -3.461 0.681 1.00 0.00 O ATOM 44 CB VAL A 137 -7.315 -1.158 -1.793 1.00 0.00 C ATOM 45 CG1 VAL A 137 -6.289 -0.425 -2.660 1.00 0.00 C ATOM 46 CG2 VAL A 137 -7.860 -2.393 -2.513 1.00 0.00 C ATOM 0 H VAL A 137 -5.711 -3.224 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 137 -6.446 -0.598 0.055 1.00 0.00 H new ATOM 0 HB VAL A 137 -8.149 -0.479 -1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -6.739 -0.170 -3.619 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -5.971 0.487 -2.155 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -5.425 -1.069 -2.824 1.00 0.00 H new ATOM 0 HG21 VAL A 137 -8.278 -2.098 -3.475 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -7.052 -3.107 -2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -8.638 -2.855 -1.905 1.00 0.00 H new ATOM 56 N ARG A 138 -8.651 -1.479 1.004 1.00 0.00 N ATOM 57 CA ARG A 138 -9.662 -2.028 1.891 1.00 0.00 C ATOM 58 C ARG A 138 -11.059 -1.611 1.424 1.00 0.00 C ATOM 59 O ARG A 138 -11.347 -0.422 1.301 1.00 0.00 O ATOM 60 CB ARG A 138 -9.450 -1.552 3.329 1.00 0.00 C ATOM 61 CG ARG A 138 -8.920 -2.687 4.209 1.00 0.00 C ATOM 62 CD ARG A 138 -9.577 -2.661 5.591 1.00 0.00 C ATOM 63 NE ARG A 138 -8.714 -3.354 6.574 1.00 0.00 N ATOM 64 CZ ARG A 138 -9.052 -3.563 7.854 1.00 0.00 C ATOM 65 NH1 ARG A 138 -10.236 -3.134 8.313 1.00 0.00 N ATOM 66 NH2 ARG A 138 -8.207 -4.201 8.674 1.00 0.00 N ATOM 0 H ARG A 138 -8.732 -0.477 0.833 1.00 0.00 H new ATOM 0 HA ARG A 138 -9.574 -3.114 1.863 1.00 0.00 H new ATOM 0 HB2 ARG A 138 -8.747 -0.719 3.340 1.00 0.00 H new ATOM 0 HB3 ARG A 138 -10.391 -1.181 3.736 1.00 0.00 H new ATOM 0 HG2 ARG A 138 -9.114 -3.646 3.728 1.00 0.00 H new ATOM 0 HG3 ARG A 138 -7.839 -2.596 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 138 -9.744 -1.630 5.904 1.00 0.00 H new ATOM 0 HD3 ARG A 138 -10.553 -3.143 5.548 1.00 0.00 H new ATOM 0 HE ARG A 138 -7.806 -3.694 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 138 -10.880 -2.649 7.688 1.00 0.00 H new ATOM 0 HH12 ARG A 138 -10.493 -3.293 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 138 -7.306 -4.528 8.324 1.00 0.00 H new ATOM 0 HH22 ARG A 138 -8.464 -4.360 9.648 1.00 0.00 H new ATOM 80 N ALA A 139 -11.888 -2.614 1.175 1.00 0.00 N ATOM 81 CA ALA A 139 -13.247 -2.368 0.726 1.00 0.00 C ATOM 82 C ALA A 139 -14.152 -2.153 1.941 1.00 0.00 C ATOM 83 O ALA A 139 -14.252 -3.021 2.806 1.00 0.00 O ATOM 84 CB ALA A 139 -13.715 -3.532 -0.150 1.00 0.00 C ATOM 0 H ALA A 139 -11.644 -3.599 1.276 1.00 0.00 H new ATOM 0 HA ALA A 139 -13.291 -1.464 0.118 1.00 0.00 H new ATOM 0 HB1 ALA A 139 -14.735 -3.347 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 139 -13.058 -3.623 -1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 139 -13.686 -4.456 0.427 1.00 0.00 H new ATOM 90 N LEU A 140 -14.788 -0.991 1.967 1.00 0.00 N ATOM 91 CA LEU A 140 -15.680 -0.651 3.062 1.00 0.00 C ATOM 92 C LEU A 140 -17.126 -0.666 2.559 1.00 0.00 C ATOM 93 O LEU A 140 -17.884 0.269 2.811 1.00 0.00 O ATOM 94 CB LEU A 140 -15.265 0.676 3.699 1.00 0.00 C ATOM 95 CG LEU A 140 -13.857 1.170 3.364 1.00 0.00 C ATOM 96 CD1 LEU A 140 -13.859 2.669 3.060 1.00 0.00 C ATOM 97 CD2 LEU A 140 -12.870 0.812 4.476 1.00 0.00 C ATOM 0 H LEU A 140 -14.703 -0.273 1.247 1.00 0.00 H new ATOM 0 HA LEU A 140 -15.610 -1.395 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 140 -15.979 1.441 3.394 1.00 0.00 H new ATOM 0 HB3 LEU A 140 -15.346 0.577 4.782 1.00 0.00 H new ATOM 0 HG LEU A 140 -13.523 0.659 2.461 1.00 0.00 H new ATOM 0 HD11 LEU A 140 -12.845 2.994 2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 140 -14.510 2.867 2.208 1.00 0.00 H new ATOM 0 HD13 LEU A 140 -14.223 3.216 3.930 1.00 0.00 H new ATOM 0 HD21 LEU A 140 -11.877 1.175 4.212 1.00 0.00 H new ATOM 0 HD22 LEU A 140 -13.189 1.276 5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 140 -12.839 -0.270 4.601 1.00 0.00 H new ATOM 109 N PHE A 141 -17.464 -1.738 1.857 1.00 0.00 N ATOM 110 CA PHE A 141 -18.804 -1.887 1.317 1.00 0.00 C ATOM 111 C PHE A 141 -19.093 -3.347 0.960 1.00 0.00 C ATOM 112 O PHE A 141 -18.397 -3.937 0.134 1.00 0.00 O ATOM 113 CB PHE A 141 -18.870 -1.041 0.044 1.00 0.00 C ATOM 114 CG PHE A 141 -18.590 0.446 0.270 1.00 0.00 C ATOM 115 CD1 PHE A 141 -19.556 1.248 0.792 1.00 0.00 C ATOM 116 CD2 PHE A 141 -17.376 0.966 -0.052 1.00 0.00 C ATOM 117 CE1 PHE A 141 -19.297 2.628 1.002 1.00 0.00 C ATOM 118 CE2 PHE A 141 -17.115 2.346 0.158 1.00 0.00 C ATOM 119 CZ PHE A 141 -18.082 3.148 0.682 1.00 0.00 C ATOM 0 H PHE A 141 -16.832 -2.512 1.650 1.00 0.00 H new ATOM 0 HA PHE A 141 -19.540 -1.569 2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -18.151 -1.430 -0.676 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -19.859 -1.150 -0.402 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -20.521 0.835 1.047 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -16.609 0.329 -0.468 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -20.065 3.265 1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -16.150 2.759 -0.098 1.00 0.00 H new ATOM 0 HZ PHE A 141 -17.884 4.197 0.844 1.00 0.00 H new ATOM 129 N ASP A 142 -20.119 -3.888 1.601 1.00 0.00 N ATOM 130 CA ASP A 142 -20.507 -5.267 1.362 1.00 0.00 C ATOM 131 C ASP A 142 -21.102 -5.388 -0.043 1.00 0.00 C ATOM 132 O ASP A 142 -22.037 -4.669 -0.390 1.00 0.00 O ATOM 133 CB ASP A 142 -21.568 -5.722 2.365 1.00 0.00 C ATOM 134 CG ASP A 142 -21.525 -5.011 3.719 1.00 0.00 C ATOM 135 OD1 ASP A 142 -21.820 -3.796 3.732 1.00 0.00 O ATOM 136 OD2 ASP A 142 -21.198 -5.699 4.711 1.00 0.00 O ATOM 0 H ASP A 142 -20.693 -3.396 2.286 1.00 0.00 H new ATOM 0 HA ASP A 142 -19.619 -5.891 1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 142 -22.553 -5.570 1.923 1.00 0.00 H new ATOM 0 HB3 ASP A 142 -21.454 -6.793 2.530 1.00 0.00 H new ATOM 141 N PHE A 143 -20.534 -6.305 -0.814 1.00 0.00 N ATOM 142 CA PHE A 143 -20.997 -6.529 -2.173 1.00 0.00 C ATOM 143 C PHE A 143 -20.488 -7.868 -2.711 1.00 0.00 C ATOM 144 O PHE A 143 -19.496 -8.403 -2.217 1.00 0.00 O ATOM 145 CB PHE A 143 -20.426 -5.399 -3.032 1.00 0.00 C ATOM 146 CG PHE A 143 -20.737 -5.534 -4.524 1.00 0.00 C ATOM 147 CD1 PHE A 143 -20.050 -6.430 -5.283 1.00 0.00 C ATOM 148 CD2 PHE A 143 -21.699 -4.758 -5.092 1.00 0.00 C ATOM 149 CE1 PHE A 143 -20.339 -6.555 -6.668 1.00 0.00 C ATOM 150 CE2 PHE A 143 -21.987 -4.884 -6.476 1.00 0.00 C ATOM 151 CZ PHE A 143 -21.301 -5.780 -7.236 1.00 0.00 C ATOM 0 H PHE A 143 -19.758 -6.900 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 143 -22.087 -6.548 -2.197 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -20.821 -4.449 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -19.345 -5.365 -2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -19.285 -7.046 -4.833 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -22.244 -4.046 -4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -19.794 -7.266 -7.271 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -22.751 -4.268 -6.926 1.00 0.00 H new ATOM 0 HZ PHE A 143 -21.520 -5.876 -8.289 1.00 0.00 H new ATOM 250 N LEU A 151 -14.999 -10.411 -7.401 1.00 0.00 N ATOM 251 CA LEU A 151 -14.971 -11.373 -6.311 1.00 0.00 C ATOM 252 C LEU A 151 -15.844 -10.862 -5.164 1.00 0.00 C ATOM 253 O LEU A 151 -15.866 -9.665 -4.881 1.00 0.00 O ATOM 254 CB LEU A 151 -13.528 -11.674 -5.899 1.00 0.00 C ATOM 255 CG LEU A 151 -12.910 -10.719 -4.877 1.00 0.00 C ATOM 256 CD1 LEU A 151 -12.333 -11.490 -3.686 1.00 0.00 C ATOM 257 CD2 LEU A 151 -11.866 -9.814 -5.534 1.00 0.00 C ATOM 0 HA LEU A 151 -15.392 -12.326 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 151 -13.491 -12.684 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 151 -12.907 -11.668 -6.794 1.00 0.00 H new ATOM 0 HG LEU A 151 -13.699 -10.073 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 151 -11.899 -10.788 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 151 -13.127 -12.056 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 151 -11.561 -12.175 -4.036 1.00 0.00 H new ATOM 0 HD21 LEU A 151 -11.442 -9.145 -4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 151 -11.073 -10.426 -5.964 1.00 0.00 H new ATOM 0 HD23 LEU A 151 -12.338 -9.226 -6.321 1.00 0.00 H new ATOM 269 N PRO A 152 -16.560 -11.820 -4.515 1.00 0.00 N ATOM 270 CA PRO A 152 -17.433 -11.479 -3.405 1.00 0.00 C ATOM 271 C PRO A 152 -16.622 -11.184 -2.142 1.00 0.00 C ATOM 272 O PRO A 152 -15.854 -12.027 -1.681 1.00 0.00 O ATOM 273 CB PRO A 152 -18.358 -12.676 -3.250 1.00 0.00 C ATOM 274 CG PRO A 152 -17.674 -13.827 -3.968 1.00 0.00 C ATOM 275 CD PRO A 152 -16.559 -13.247 -4.823 1.00 0.00 C ATOM 0 HA PRO A 152 -18.007 -10.570 -3.584 1.00 0.00 H new ATOM 0 HB2 PRO A 152 -18.518 -12.912 -2.198 1.00 0.00 H new ATOM 0 HB3 PRO A 152 -19.337 -12.472 -3.684 1.00 0.00 H new ATOM 0 HG2 PRO A 152 -17.272 -14.540 -3.249 1.00 0.00 H new ATOM 0 HG3 PRO A 152 -18.388 -14.368 -4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 152 -15.598 -13.703 -4.584 1.00 0.00 H new ATOM 0 HD3 PRO A 152 -16.740 -13.423 -5.883 1.00 0.00 H new ATOM 283 N PHE A 153 -16.820 -9.982 -1.617 1.00 0.00 N ATOM 284 CA PHE A 153 -16.117 -9.565 -0.417 1.00 0.00 C ATOM 285 C PHE A 153 -17.092 -9.017 0.627 1.00 0.00 C ATOM 286 O PHE A 153 -18.282 -8.867 0.352 1.00 0.00 O ATOM 287 CB PHE A 153 -15.151 -8.453 -0.829 1.00 0.00 C ATOM 288 CG PHE A 153 -15.826 -7.267 -1.520 1.00 0.00 C ATOM 289 CD1 PHE A 153 -16.362 -7.418 -2.761 1.00 0.00 C ATOM 290 CD2 PHE A 153 -15.889 -6.060 -0.895 1.00 0.00 C ATOM 291 CE1 PHE A 153 -16.989 -6.317 -3.403 1.00 0.00 C ATOM 292 CE2 PHE A 153 -16.516 -4.960 -1.537 1.00 0.00 C ATOM 293 CZ PHE A 153 -17.053 -5.112 -2.778 1.00 0.00 C ATOM 0 H PHE A 153 -17.457 -9.285 -2.002 1.00 0.00 H new ATOM 0 HA PHE A 153 -15.595 -10.415 0.023 1.00 0.00 H new ATOM 0 HB2 PHE A 153 -14.627 -8.094 0.057 1.00 0.00 H new ATOM 0 HB3 PHE A 153 -14.398 -8.869 -1.498 1.00 0.00 H new ATOM 0 HD1 PHE A 153 -16.311 -8.375 -3.258 1.00 0.00 H new ATOM 0 HD2 PHE A 153 -15.462 -5.939 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 153 -17.415 -6.438 -4.388 1.00 0.00 H new ATOM 0 HE2 PHE A 153 -16.567 -4.002 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 153 -17.530 -4.275 -3.266 1.00 0.00 H new ATOM 303 N LYS A 154 -16.552 -8.733 1.803 1.00 0.00 N ATOM 304 CA LYS A 154 -17.360 -8.205 2.890 1.00 0.00 C ATOM 305 C LYS A 154 -16.834 -6.824 3.285 1.00 0.00 C ATOM 306 O LYS A 154 -15.699 -6.472 2.966 1.00 0.00 O ATOM 307 CB LYS A 154 -17.412 -9.199 4.051 1.00 0.00 C ATOM 308 CG LYS A 154 -16.018 -9.428 4.641 1.00 0.00 C ATOM 309 CD LYS A 154 -15.945 -8.924 6.084 1.00 0.00 C ATOM 310 CE LYS A 154 -14.587 -9.252 6.709 1.00 0.00 C ATOM 311 NZ LYS A 154 -14.651 -9.124 8.182 1.00 0.00 N ATOM 0 H LYS A 154 -15.565 -8.858 2.027 1.00 0.00 H new ATOM 0 HA LYS A 154 -18.393 -8.073 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -18.081 -8.824 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -17.824 -10.147 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -15.776 -10.490 4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -15.273 -8.914 4.034 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -16.109 -7.847 6.106 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -16.741 -9.380 6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -14.291 -10.265 6.438 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -13.826 -8.581 6.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -13.722 -9.350 8.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -14.913 -8.150 8.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -15.363 -9.782 8.557 1.00 0.00 H new ATOM 325 N LYS A 155 -17.684 -6.078 3.976 1.00 0.00 N ATOM 326 CA LYS A 155 -17.319 -4.744 4.419 1.00 0.00 C ATOM 327 C LYS A 155 -16.082 -4.828 5.317 1.00 0.00 C ATOM 328 O LYS A 155 -16.035 -5.644 6.237 1.00 0.00 O ATOM 329 CB LYS A 155 -18.512 -4.053 5.081 1.00 0.00 C ATOM 330 CG LYS A 155 -18.385 -2.531 4.992 1.00 0.00 C ATOM 331 CD LYS A 155 -17.461 -1.993 6.087 1.00 0.00 C ATOM 332 CE LYS A 155 -18.134 -2.071 7.459 1.00 0.00 C ATOM 333 NZ LYS A 155 -18.858 -0.815 7.753 1.00 0.00 N ATOM 0 H LYS A 155 -18.624 -6.373 4.240 1.00 0.00 H new ATOM 0 HA LYS A 155 -17.052 -4.121 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 155 -19.435 -4.373 4.598 1.00 0.00 H new ATOM 0 HB3 LYS A 155 -18.577 -4.355 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 155 -17.996 -2.252 4.013 1.00 0.00 H new ATOM 0 HG3 LYS A 155 -19.370 -2.074 5.086 1.00 0.00 H new ATOM 0 HD2 LYS A 155 -16.534 -2.566 6.100 1.00 0.00 H new ATOM 0 HD3 LYS A 155 -17.194 -0.959 5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 155 -18.827 -2.912 7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 155 -17.384 -2.254 8.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 -19.309 -0.885 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 -18.188 -0.019 7.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 -19.587 -0.657 7.028 1.00 0.00 H new ATOM 347 N GLY A 156 -15.113 -3.976 5.019 1.00 0.00 N ATOM 348 CA GLY A 156 -13.881 -3.944 5.788 1.00 0.00 C ATOM 349 C GLY A 156 -12.940 -5.074 5.361 1.00 0.00 C ATOM 350 O GLY A 156 -12.180 -5.594 6.176 1.00 0.00 O ATOM 0 H GLY A 156 -15.156 -3.302 4.255 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -13.387 -2.982 5.650 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -14.108 -4.036 6.850 1.00 0.00 H new ATOM 354 N ASP A 157 -13.022 -5.418 4.084 1.00 0.00 N ATOM 355 CA ASP A 157 -12.188 -6.477 3.540 1.00 0.00 C ATOM 356 C ASP A 157 -10.881 -5.874 3.024 1.00 0.00 C ATOM 357 O ASP A 157 -10.792 -4.666 2.807 1.00 0.00 O ATOM 358 CB ASP A 157 -12.880 -7.178 2.370 1.00 0.00 C ATOM 359 CG ASP A 157 -13.438 -6.242 1.294 1.00 0.00 C ATOM 360 OD1 ASP A 157 -14.133 -5.280 1.683 1.00 0.00 O ATOM 361 OD2 ASP A 157 -13.155 -6.511 0.107 1.00 0.00 O ATOM 0 H ASP A 157 -13.653 -4.983 3.411 1.00 0.00 H new ATOM 0 HA ASP A 157 -12.001 -7.201 4.333 1.00 0.00 H new ATOM 0 HB2 ASP A 157 -12.170 -7.861 1.904 1.00 0.00 H new ATOM 0 HB3 ASP A 157 -13.696 -7.785 2.761 1.00 0.00 H new ATOM 366 N ILE A 158 -9.897 -6.743 2.840 1.00 0.00 N ATOM 367 CA ILE A 158 -8.598 -6.311 2.353 1.00 0.00 C ATOM 368 C ILE A 158 -8.312 -6.986 1.010 1.00 0.00 C ATOM 369 O ILE A 158 -8.488 -8.195 0.869 1.00 0.00 O ATOM 370 CB ILE A 158 -7.520 -6.562 3.409 1.00 0.00 C ATOM 371 CG1 ILE A 158 -7.731 -5.668 4.632 1.00 0.00 C ATOM 372 CG2 ILE A 158 -6.121 -6.395 2.814 1.00 0.00 C ATOM 373 CD1 ILE A 158 -7.333 -6.395 5.919 1.00 0.00 C ATOM 0 H ILE A 158 -9.974 -7.744 3.020 1.00 0.00 H new ATOM 0 HA ILE A 158 -8.595 -5.235 2.177 1.00 0.00 H new ATOM 0 HB ILE A 158 -7.607 -7.595 3.746 1.00 0.00 H new ATOM 0 HG12 ILE A 158 -7.141 -4.757 4.527 1.00 0.00 H new ATOM 0 HG13 ILE A 158 -8.777 -5.365 4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 158 -5.373 -6.579 3.585 1.00 0.00 H new ATOM 0 HG22 ILE A 158 -5.985 -7.106 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 158 -6.007 -5.380 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 158 -7.493 -5.737 6.773 1.00 0.00 H new ATOM 0 HD12 ILE A 158 -7.942 -7.292 6.033 1.00 0.00 H new ATOM 0 HD13 ILE A 158 -6.281 -6.675 5.868 1.00 0.00 H new ATOM 385 N LEU A 159 -7.875 -6.174 0.057 1.00 0.00 N ATOM 386 CA LEU A 159 -7.564 -6.678 -1.269 1.00 0.00 C ATOM 387 C LEU A 159 -6.355 -5.922 -1.825 1.00 0.00 C ATOM 388 O LEU A 159 -6.326 -4.692 -1.808 1.00 0.00 O ATOM 389 CB LEU A 159 -8.798 -6.614 -2.171 1.00 0.00 C ATOM 390 CG LEU A 159 -10.065 -7.269 -1.619 1.00 0.00 C ATOM 391 CD1 LEU A 159 -11.285 -6.369 -1.830 1.00 0.00 C ATOM 392 CD2 LEU A 159 -10.270 -8.660 -2.223 1.00 0.00 C ATOM 0 H LEU A 159 -7.729 -5.172 0.178 1.00 0.00 H new ATOM 0 HA LEU A 159 -7.289 -7.732 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -9.016 -5.567 -2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -8.553 -7.086 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 159 -9.942 -7.398 -0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -12.172 -6.859 -1.428 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -11.130 -5.420 -1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -11.422 -6.186 -2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -11.178 -9.104 -1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -10.363 -8.576 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -9.416 -9.292 -1.980 1.00 0.00 H new ATOM 404 N ARG A 160 -5.388 -6.688 -2.306 1.00 0.00 N ATOM 405 CA ARG A 160 -4.180 -6.106 -2.867 1.00 0.00 C ATOM 406 C ARG A 160 -4.355 -5.863 -4.367 1.00 0.00 C ATOM 407 O ARG A 160 -5.043 -6.624 -5.046 1.00 0.00 O ATOM 408 CB ARG A 160 -2.973 -7.018 -2.642 1.00 0.00 C ATOM 409 CG ARG A 160 -3.327 -8.479 -2.935 1.00 0.00 C ATOM 410 CD ARG A 160 -2.133 -9.222 -3.536 1.00 0.00 C ATOM 411 NE ARG A 160 -1.912 -10.494 -2.811 1.00 0.00 N ATOM 412 CZ ARG A 160 -0.743 -11.147 -2.780 1.00 0.00 C ATOM 413 NH1 ARG A 160 0.318 -10.653 -3.430 1.00 0.00 N ATOM 414 NH2 ARG A 160 -0.635 -12.295 -2.097 1.00 0.00 N ATOM 0 H ARG A 160 -5.416 -7.708 -2.319 1.00 0.00 H new ATOM 0 HA ARG A 160 -4.003 -5.157 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -2.150 -6.704 -3.284 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -2.628 -6.923 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -3.641 -8.972 -2.015 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -4.171 -8.521 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -2.313 -9.422 -4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -1.240 -8.600 -3.477 1.00 0.00 H new ATOM 0 HE ARG A 160 -2.699 -10.898 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 160 0.236 -9.779 -3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 160 1.208 -11.151 -3.406 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -1.443 -12.671 -1.601 1.00 0.00 H new ATOM 0 HH22 ARG A 160 0.255 -12.792 -2.073 1.00 0.00 H new ATOM 428 N ILE A 161 -3.721 -4.800 -4.840 1.00 0.00 N ATOM 429 CA ILE A 161 -3.798 -4.448 -6.248 1.00 0.00 C ATOM 430 C ILE A 161 -2.683 -5.166 -7.010 1.00 0.00 C ATOM 431 O ILE A 161 -1.504 -4.991 -6.706 1.00 0.00 O ATOM 432 CB ILE A 161 -3.781 -2.928 -6.421 1.00 0.00 C ATOM 433 CG1 ILE A 161 -5.025 -2.291 -5.799 1.00 0.00 C ATOM 434 CG2 ILE A 161 -3.616 -2.546 -7.893 1.00 0.00 C ATOM 435 CD1 ILE A 161 -4.858 -0.776 -5.668 1.00 0.00 C ATOM 0 H ILE A 161 -3.152 -4.171 -4.274 1.00 0.00 H new ATOM 0 HA ILE A 161 -4.743 -4.784 -6.674 1.00 0.00 H new ATOM 0 HB ILE A 161 -2.917 -2.533 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 161 -5.897 -2.512 -6.414 1.00 0.00 H new ATOM 0 HG13 ILE A 161 -5.208 -2.727 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 161 -3.607 -1.460 -7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 161 -2.677 -2.951 -8.271 1.00 0.00 H new ATOM 0 HG23 ILE A 161 -4.446 -2.954 -8.470 1.00 0.00 H new ATOM 0 HD11 ILE A 161 -5.756 -0.348 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 161 -3.999 -0.558 -5.033 1.00 0.00 H new ATOM 0 HD13 ILE A 161 -4.699 -0.341 -6.655 1.00 0.00 H new ATOM 447 N ARG A 162 -3.096 -5.961 -7.987 1.00 0.00 N ATOM 448 CA ARG A 162 -2.146 -6.707 -8.796 1.00 0.00 C ATOM 449 C ARG A 162 -2.231 -6.263 -10.258 1.00 0.00 C ATOM 450 O ARG A 162 -1.224 -6.245 -10.965 1.00 0.00 O ATOM 451 CB ARG A 162 -2.413 -8.211 -8.711 1.00 0.00 C ATOM 452 CG ARG A 162 -3.857 -8.535 -9.097 1.00 0.00 C ATOM 453 CD ARG A 162 -4.056 -10.043 -9.257 1.00 0.00 C ATOM 454 NE ARG A 162 -3.994 -10.413 -10.690 1.00 0.00 N ATOM 455 CZ ARG A 162 -2.877 -10.807 -11.316 1.00 0.00 C ATOM 456 NH1 ARG A 162 -1.722 -10.885 -10.640 1.00 0.00 N ATOM 457 NH2 ARG A 162 -2.915 -11.123 -12.617 1.00 0.00 N ATOM 0 H ARG A 162 -4.075 -6.105 -8.236 1.00 0.00 H new ATOM 0 HA ARG A 162 -1.148 -6.504 -8.408 1.00 0.00 H new ATOM 0 HB2 ARG A 162 -1.728 -8.743 -9.371 1.00 0.00 H new ATOM 0 HB3 ARG A 162 -2.216 -8.562 -7.698 1.00 0.00 H new ATOM 0 HG2 ARG A 162 -4.536 -8.154 -8.334 1.00 0.00 H new ATOM 0 HG3 ARG A 162 -4.110 -8.030 -10.029 1.00 0.00 H new ATOM 0 HD2 ARG A 162 -3.288 -10.581 -8.701 1.00 0.00 H new ATOM 0 HD3 ARG A 162 -5.018 -10.338 -8.838 1.00 0.00 H new ATOM 0 HE ARG A 162 -4.855 -10.365 -11.234 1.00 0.00 H new ATOM 0 HH11 ARG A 162 -1.694 -10.644 -9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 162 -0.871 -11.185 -11.116 1.00 0.00 H new ATOM 0 HH21 ARG A 162 -3.794 -11.064 -13.131 1.00 0.00 H new ATOM 0 HH22 ARG A 162 -2.065 -11.423 -13.094 1.00 0.00 H new ATOM 471 N ASP A 163 -3.442 -5.916 -10.669 1.00 0.00 N ATOM 472 CA ASP A 163 -3.671 -5.473 -12.033 1.00 0.00 C ATOM 473 C ASP A 163 -4.709 -4.350 -12.034 1.00 0.00 C ATOM 474 O ASP A 163 -5.543 -4.271 -11.132 1.00 0.00 O ATOM 475 CB ASP A 163 -4.210 -6.615 -12.900 1.00 0.00 C ATOM 476 CG ASP A 163 -3.485 -7.952 -12.730 1.00 0.00 C ATOM 477 OD1 ASP A 163 -2.324 -7.914 -12.271 1.00 0.00 O ATOM 478 OD2 ASP A 163 -4.111 -8.981 -13.063 1.00 0.00 O ATOM 0 H ASP A 163 -4.275 -5.933 -10.081 1.00 0.00 H new ATOM 0 HA ASP A 163 -2.720 -5.128 -12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -5.266 -6.759 -12.670 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -4.150 -6.316 -13.947 1.00 0.00 H new ATOM 483 N LYS A 164 -4.625 -3.509 -13.054 1.00 0.00 N ATOM 484 CA LYS A 164 -5.547 -2.393 -13.183 1.00 0.00 C ATOM 485 C LYS A 164 -5.643 -1.984 -14.654 1.00 0.00 C ATOM 486 O LYS A 164 -5.377 -0.835 -15.002 1.00 0.00 O ATOM 487 CB LYS A 164 -5.138 -1.250 -12.252 1.00 0.00 C ATOM 488 CG LYS A 164 -3.677 -0.858 -12.476 1.00 0.00 C ATOM 489 CD LYS A 164 -3.371 0.501 -11.841 1.00 0.00 C ATOM 490 CE LYS A 164 -2.064 0.453 -11.049 1.00 0.00 C ATOM 491 NZ LYS A 164 -2.327 0.637 -9.604 1.00 0.00 N ATOM 0 H LYS A 164 -3.932 -3.578 -13.799 1.00 0.00 H new ATOM 0 HA LYS A 164 -6.548 -2.687 -12.868 1.00 0.00 H new ATOM 0 HB2 LYS A 164 -5.781 -0.387 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 164 -5.283 -1.552 -11.215 1.00 0.00 H new ATOM 0 HG2 LYS A 164 -3.023 -1.618 -12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 164 -3.467 -0.820 -13.545 1.00 0.00 H new ATOM 0 HD2 LYS A 164 -3.302 1.262 -12.618 1.00 0.00 H new ATOM 0 HD3 LYS A 164 -4.189 0.791 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 164 -1.566 -0.502 -11.215 1.00 0.00 H new ATOM 0 HE3 LYS A 164 -1.388 1.231 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 -1.561 0.199 -9.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 -2.373 1.653 -9.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 -3.232 0.188 -9.356 1.00 0.00 H new ATOM 505 N PRO A 165 -6.036 -2.974 -15.501 1.00 0.00 N ATOM 506 CA PRO A 165 -6.171 -2.729 -16.927 1.00 0.00 C ATOM 507 C PRO A 165 -7.437 -1.922 -17.227 1.00 0.00 C ATOM 508 O PRO A 165 -8.130 -2.191 -18.207 1.00 0.00 O ATOM 509 CB PRO A 165 -6.181 -4.108 -17.564 1.00 0.00 C ATOM 510 CG PRO A 165 -6.519 -5.081 -16.447 1.00 0.00 C ATOM 511 CD PRO A 165 -6.360 -4.347 -15.125 1.00 0.00 C ATOM 0 HA PRO A 165 -5.357 -2.125 -17.329 1.00 0.00 H new ATOM 0 HB2 PRO A 165 -6.918 -4.163 -18.366 1.00 0.00 H new ATOM 0 HB3 PRO A 165 -5.212 -4.341 -18.005 1.00 0.00 H new ATOM 0 HG2 PRO A 165 -7.538 -5.451 -16.558 1.00 0.00 H new ATOM 0 HG3 PRO A 165 -5.860 -5.948 -16.484 1.00 0.00 H new ATOM 0 HD2 PRO A 165 -7.276 -4.391 -14.535 1.00 0.00 H new ATOM 0 HD3 PRO A 165 -5.569 -4.789 -14.519 1.00 0.00 H new ATOM 519 N GLU A 166 -7.698 -0.949 -16.366 1.00 0.00 N ATOM 520 CA GLU A 166 -8.868 -0.102 -16.527 1.00 0.00 C ATOM 521 C GLU A 166 -8.667 1.224 -15.789 1.00 0.00 C ATOM 522 O GLU A 166 -7.610 1.462 -15.209 1.00 0.00 O ATOM 523 CB GLU A 166 -10.132 -0.815 -16.042 1.00 0.00 C ATOM 524 CG GLU A 166 -10.384 -2.091 -16.846 1.00 0.00 C ATOM 525 CD GLU A 166 -11.774 -2.658 -16.553 1.00 0.00 C ATOM 526 OE1 GLU A 166 -12.727 -2.194 -17.216 1.00 0.00 O ATOM 527 OE2 GLU A 166 -11.853 -3.542 -15.672 1.00 0.00 O ATOM 0 H GLU A 166 -7.120 -0.728 -15.555 1.00 0.00 H new ATOM 0 HA GLU A 166 -8.997 0.111 -17.588 1.00 0.00 H new ATOM 0 HB2 GLU A 166 -10.032 -1.061 -14.985 1.00 0.00 H new ATOM 0 HB3 GLU A 166 -10.989 -0.147 -16.135 1.00 0.00 H new ATOM 0 HG2 GLU A 166 -10.291 -1.878 -17.911 1.00 0.00 H new ATOM 0 HG3 GLU A 166 -9.625 -2.835 -16.602 1.00 0.00 H new ATOM 534 N GLU A 167 -9.701 2.051 -15.835 1.00 0.00 N ATOM 535 CA GLU A 167 -9.653 3.346 -15.179 1.00 0.00 C ATOM 536 C GLU A 167 -10.790 3.469 -14.163 1.00 0.00 C ATOM 537 O GLU A 167 -11.542 4.443 -14.182 1.00 0.00 O ATOM 538 CB GLU A 167 -9.707 4.482 -16.202 1.00 0.00 C ATOM 539 CG GLU A 167 -8.968 5.720 -15.688 1.00 0.00 C ATOM 540 CD GLU A 167 -7.486 5.417 -15.459 1.00 0.00 C ATOM 541 OE1 GLU A 167 -6.924 4.669 -16.288 1.00 0.00 O ATOM 542 OE2 GLU A 167 -6.947 5.941 -14.460 1.00 0.00 O ATOM 0 H GLU A 167 -10.577 1.849 -16.317 1.00 0.00 H new ATOM 0 HA GLU A 167 -8.705 3.426 -14.646 1.00 0.00 H new ATOM 0 HB2 GLU A 167 -9.262 4.152 -17.141 1.00 0.00 H new ATOM 0 HB3 GLU A 167 -10.746 4.736 -16.414 1.00 0.00 H new ATOM 0 HG2 GLU A 167 -9.070 6.533 -16.406 1.00 0.00 H new ATOM 0 HG3 GLU A 167 -9.422 6.059 -14.757 1.00 0.00 H new ATOM 549 N GLN A 168 -10.881 2.469 -13.299 1.00 0.00 N ATOM 550 CA GLN A 168 -11.914 2.452 -12.278 1.00 0.00 C ATOM 551 C GLN A 168 -11.852 1.147 -11.481 1.00 0.00 C ATOM 552 O GLN A 168 -11.603 1.163 -10.276 1.00 0.00 O ATOM 553 CB GLN A 168 -13.299 2.651 -12.896 1.00 0.00 C ATOM 554 CG GLN A 168 -13.780 4.092 -12.709 1.00 0.00 C ATOM 555 CD GLN A 168 -14.515 4.590 -13.955 1.00 0.00 C ATOM 556 OE1 GLN A 168 -14.042 5.445 -14.687 1.00 0.00 O ATOM 557 NE2 GLN A 168 -15.695 4.010 -14.156 1.00 0.00 N ATOM 0 H GLN A 168 -10.255 1.664 -13.285 1.00 0.00 H new ATOM 0 HA GLN A 168 -11.735 3.282 -11.594 1.00 0.00 H new ATOM 0 HB2 GLN A 168 -13.265 2.410 -13.958 1.00 0.00 H new ATOM 0 HB3 GLN A 168 -14.009 1.964 -12.436 1.00 0.00 H new ATOM 0 HG2 GLN A 168 -14.442 4.149 -11.845 1.00 0.00 H new ATOM 0 HG3 GLN A 168 -12.928 4.740 -12.502 1.00 0.00 H new ATOM 0 HE21 GLN A 168 -16.032 3.301 -13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 168 -16.262 4.274 -14.961 1.00 0.00 H new ATOM 566 N TRP A 169 -12.082 0.049 -12.185 1.00 0.00 N ATOM 567 CA TRP A 169 -12.056 -1.261 -11.558 1.00 0.00 C ATOM 568 C TRP A 169 -10.686 -1.888 -11.832 1.00 0.00 C ATOM 569 O TRP A 169 -10.218 -1.893 -12.968 1.00 0.00 O ATOM 570 CB TRP A 169 -13.218 -2.127 -12.047 1.00 0.00 C ATOM 571 CG TRP A 169 -14.599 -1.574 -11.691 1.00 0.00 C ATOM 572 CD1 TRP A 169 -15.196 -0.474 -12.170 1.00 0.00 C ATOM 573 CD2 TRP A 169 -15.538 -2.143 -10.755 1.00 0.00 C ATOM 574 NE1 TRP A 169 -16.446 -0.293 -11.613 1.00 0.00 N ATOM 575 CE2 TRP A 169 -16.660 -1.341 -10.725 1.00 0.00 C ATOM 576 CE3 TRP A 169 -15.442 -3.298 -9.959 1.00 0.00 C ATOM 577 CZ2 TRP A 169 -17.771 -1.606 -9.916 1.00 0.00 C ATOM 578 CZ3 TRP A 169 -16.561 -3.550 -9.156 1.00 0.00 C ATOM 579 CH2 TRP A 169 -17.698 -2.751 -9.115 1.00 0.00 C ATOM 0 H TRP A 169 -12.287 0.040 -13.184 1.00 0.00 H new ATOM 0 HA TRP A 169 -12.192 -1.175 -10.480 1.00 0.00 H new ATOM 0 HB2 TRP A 169 -13.148 -2.233 -13.130 1.00 0.00 H new ATOM 0 HB3 TRP A 169 -13.117 -3.126 -11.622 1.00 0.00 H new ATOM 0 HD1 TRP A 169 -14.754 0.188 -12.900 1.00 0.00 H new ATOM 0 HE1 TRP A 169 -17.093 0.469 -11.816 1.00 0.00 H new ATOM 0 HE3 TRP A 169 -14.574 -3.940 -9.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 -18.638 -0.962 -9.910 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 -16.539 -4.426 -8.525 1.00 0.00 H new ATOM 0 HH2 TRP A 169 -18.522 -3.013 -8.467 1.00 0.00 H new ATOM 590 N TRP A 170 -10.084 -2.401 -10.769 1.00 0.00 N ATOM 591 CA TRP A 170 -8.778 -3.029 -10.880 1.00 0.00 C ATOM 592 C TRP A 170 -8.880 -4.437 -10.290 1.00 0.00 C ATOM 593 O TRP A 170 -9.754 -4.710 -9.469 1.00 0.00 O ATOM 594 CB TRP A 170 -7.701 -2.176 -10.207 1.00 0.00 C ATOM 595 CG TRP A 170 -7.669 -0.723 -10.685 1.00 0.00 C ATOM 596 CD1 TRP A 170 -8.021 -0.242 -11.886 1.00 0.00 C ATOM 597 CD2 TRP A 170 -7.248 0.425 -9.919 1.00 0.00 C ATOM 598 NE1 TRP A 170 -7.857 1.127 -11.949 1.00 0.00 N ATOM 599 CE2 TRP A 170 -7.373 1.546 -10.715 1.00 0.00 C ATOM 600 CE3 TRP A 170 -6.778 0.514 -8.597 1.00 0.00 C ATOM 601 CZ2 TRP A 170 -7.047 2.836 -10.279 1.00 0.00 C ATOM 602 CZ3 TRP A 170 -6.457 1.810 -8.177 1.00 0.00 C ATOM 603 CH2 TRP A 170 -6.576 2.948 -8.966 1.00 0.00 C ATOM 0 H TRP A 170 -10.476 -2.395 -9.827 1.00 0.00 H new ATOM 0 HA TRP A 170 -8.476 -3.109 -11.924 1.00 0.00 H new ATOM 0 HB2 TRP A 170 -7.862 -2.190 -9.129 1.00 0.00 H new ATOM 0 HB3 TRP A 170 -6.727 -2.629 -10.389 1.00 0.00 H new ATOM 0 HD1 TRP A 170 -8.387 -0.849 -12.701 1.00 0.00 H new ATOM 0 HE1 TRP A 170 -8.055 1.722 -12.753 1.00 0.00 H new ATOM 0 HE3 TRP A 170 -6.673 -0.349 -7.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 -7.153 3.698 -10.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 -6.091 1.935 -7.169 1.00 0.00 H new ATOM 0 HH2 TRP A 170 -6.306 3.915 -8.567 1.00 0.00 H new ATOM 614 N ASN A 171 -7.973 -5.296 -10.733 1.00 0.00 N ATOM 615 CA ASN A 171 -7.950 -6.670 -10.261 1.00 0.00 C ATOM 616 C ASN A 171 -7.114 -6.750 -8.981 1.00 0.00 C ATOM 617 O ASN A 171 -5.893 -6.607 -9.022 1.00 0.00 O ATOM 618 CB ASN A 171 -7.315 -7.599 -11.298 1.00 0.00 C ATOM 619 CG ASN A 171 -8.142 -8.874 -11.470 1.00 0.00 C ATOM 620 OD1 ASN A 171 -8.867 -9.050 -12.436 1.00 0.00 O ATOM 621 ND2 ASN A 171 -7.994 -9.752 -10.482 1.00 0.00 N ATOM 0 H ASN A 171 -7.249 -5.067 -11.414 1.00 0.00 H new ATOM 0 HA ASN A 171 -8.979 -6.982 -10.080 1.00 0.00 H new ATOM 0 HB2 ASN A 171 -7.234 -7.082 -12.254 1.00 0.00 H new ATOM 0 HB3 ASN A 171 -6.302 -7.857 -10.989 1.00 0.00 H new ATOM 0 HD21 ASN A 171 -8.504 -10.635 -10.504 1.00 0.00 H new ATOM 0 HD22 ASN A 171 -7.371 -9.542 -9.702 1.00 0.00 H new ATOM 628 N ALA A 172 -7.806 -6.979 -7.875 1.00 0.00 N ATOM 629 CA ALA A 172 -7.144 -7.079 -6.586 1.00 0.00 C ATOM 630 C ALA A 172 -7.208 -8.527 -6.095 1.00 0.00 C ATOM 631 O ALA A 172 -8.143 -9.256 -6.422 1.00 0.00 O ATOM 632 CB ALA A 172 -7.789 -6.100 -5.602 1.00 0.00 C ATOM 0 H ALA A 172 -8.819 -7.098 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 172 -6.092 -6.807 -6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 172 -7.292 -6.176 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 172 -7.690 -5.083 -5.983 1.00 0.00 H new ATOM 0 HB3 ALA A 172 -8.845 -6.343 -5.487 1.00 0.00 H new ATOM 638 N GLU A 173 -6.204 -8.900 -5.316 1.00 0.00 N ATOM 639 CA GLU A 173 -6.135 -10.248 -4.777 1.00 0.00 C ATOM 640 C GLU A 173 -6.476 -10.241 -3.286 1.00 0.00 C ATOM 641 O GLU A 173 -5.703 -9.738 -2.471 1.00 0.00 O ATOM 642 CB GLU A 173 -4.758 -10.866 -5.022 1.00 0.00 C ATOM 643 CG GLU A 173 -4.780 -12.374 -4.760 1.00 0.00 C ATOM 644 CD GLU A 173 -3.900 -12.735 -3.561 1.00 0.00 C ATOM 645 OE1 GLU A 173 -4.046 -12.052 -2.525 1.00 0.00 O ATOM 646 OE2 GLU A 173 -3.102 -13.687 -3.708 1.00 0.00 O ATOM 0 H GLU A 173 -5.431 -8.292 -5.045 1.00 0.00 H new ATOM 0 HA GLU A 173 -6.870 -10.864 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 173 -4.448 -10.676 -6.049 1.00 0.00 H new ATOM 0 HB3 GLU A 173 -4.022 -10.391 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 173 -5.804 -12.700 -4.576 1.00 0.00 H new ATOM 0 HG3 GLU A 173 -4.431 -12.906 -5.645 1.00 0.00 H new ATOM 653 N ASP A 174 -7.633 -10.804 -2.973 1.00 0.00 N ATOM 654 CA ASP A 174 -8.085 -10.869 -1.594 1.00 0.00 C ATOM 655 C ASP A 174 -7.036 -11.597 -0.752 1.00 0.00 C ATOM 656 O ASP A 174 -6.069 -12.136 -1.287 1.00 0.00 O ATOM 657 CB ASP A 174 -9.401 -11.642 -1.482 1.00 0.00 C ATOM 658 CG ASP A 174 -10.004 -11.692 -0.076 1.00 0.00 C ATOM 659 OD1 ASP A 174 -10.694 -10.711 0.280 1.00 0.00 O ATOM 660 OD2 ASP A 174 -9.762 -12.708 0.610 1.00 0.00 O ATOM 0 H ASP A 174 -8.272 -11.220 -3.651 1.00 0.00 H new ATOM 0 HA ASP A 174 -8.234 -9.849 -1.239 1.00 0.00 H new ATOM 0 HB2 ASP A 174 -10.128 -11.191 -2.157 1.00 0.00 H new ATOM 0 HB3 ASP A 174 -9.236 -12.663 -1.827 1.00 0.00 H new ATOM 665 N SER A 175 -7.262 -11.589 0.555 1.00 0.00 N ATOM 666 CA SER A 175 -6.349 -12.242 1.476 1.00 0.00 C ATOM 667 C SER A 175 -6.606 -13.751 1.488 1.00 0.00 C ATOM 668 O SER A 175 -6.349 -14.420 2.488 1.00 0.00 O ATOM 669 CB SER A 175 -6.488 -11.669 2.888 1.00 0.00 C ATOM 670 OG SER A 175 -5.221 -11.414 3.488 1.00 0.00 O ATOM 0 H SER A 175 -8.065 -11.140 0.996 1.00 0.00 H new ATOM 0 HA SER A 175 -5.330 -12.057 1.136 1.00 0.00 H new ATOM 0 HB2 SER A 175 -7.063 -10.744 2.849 1.00 0.00 H new ATOM 0 HB3 SER A 175 -7.049 -12.367 3.509 1.00 0.00 H new ATOM 0 HG SER A 175 -5.353 -11.048 4.387 1.00 0.00 H new ATOM 676 N GLU A 176 -7.109 -14.241 0.365 1.00 0.00 N ATOM 677 CA GLU A 176 -7.404 -15.658 0.233 1.00 0.00 C ATOM 678 C GLU A 176 -6.910 -16.179 -1.118 1.00 0.00 C ATOM 679 O GLU A 176 -7.041 -17.366 -1.415 1.00 0.00 O ATOM 680 CB GLU A 176 -8.900 -15.926 0.412 1.00 0.00 C ATOM 681 CG GLU A 176 -9.295 -15.864 1.888 1.00 0.00 C ATOM 682 CD GLU A 176 -10.810 -15.716 2.044 1.00 0.00 C ATOM 683 OE1 GLU A 176 -11.527 -16.330 1.225 1.00 0.00 O ATOM 684 OE2 GLU A 176 -11.216 -14.992 2.979 1.00 0.00 O ATOM 0 H GLU A 176 -7.320 -13.682 -0.462 1.00 0.00 H new ATOM 0 HA GLU A 176 -6.876 -16.194 1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 176 -9.475 -15.192 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 176 -9.149 -16.907 0.006 1.00 0.00 H new ATOM 0 HG2 GLU A 176 -8.960 -16.768 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 176 -8.793 -15.024 2.368 1.00 0.00 H new ATOM 691 N GLY A 177 -6.354 -15.267 -1.901 1.00 0.00 N ATOM 692 CA GLY A 177 -5.840 -15.619 -3.214 1.00 0.00 C ATOM 693 C GLY A 177 -6.878 -15.338 -4.303 1.00 0.00 C ATOM 694 O GLY A 177 -6.585 -15.458 -5.491 1.00 0.00 O ATOM 0 H GLY A 177 -6.248 -14.284 -1.651 1.00 0.00 H new ATOM 0 HA2 GLY A 177 -4.932 -15.051 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 177 -5.567 -16.674 -3.231 1.00 0.00 H new ATOM 698 N LYS A 178 -8.070 -14.966 -3.857 1.00 0.00 N ATOM 699 CA LYS A 178 -9.152 -14.666 -4.778 1.00 0.00 C ATOM 700 C LYS A 178 -8.851 -13.350 -5.500 1.00 0.00 C ATOM 701 O LYS A 178 -8.931 -12.278 -4.904 1.00 0.00 O ATOM 702 CB LYS A 178 -10.496 -14.671 -4.047 1.00 0.00 C ATOM 703 CG LYS A 178 -10.981 -16.102 -3.802 1.00 0.00 C ATOM 704 CD LYS A 178 -11.699 -16.655 -5.035 1.00 0.00 C ATOM 705 CE LYS A 178 -12.178 -18.088 -4.792 1.00 0.00 C ATOM 706 NZ LYS A 178 -11.483 -19.028 -5.701 1.00 0.00 N ATOM 0 H LYS A 178 -8.309 -14.866 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 178 -9.227 -15.440 -5.541 1.00 0.00 H new ATOM 0 HB2 LYS A 178 -10.399 -14.148 -3.096 1.00 0.00 H new ATOM 0 HB3 LYS A 178 -11.236 -14.128 -4.635 1.00 0.00 H new ATOM 0 HG2 LYS A 178 -10.133 -16.740 -3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 178 -11.655 -16.120 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 178 -12.550 -16.020 -5.280 1.00 0.00 H new ATOM 0 HD3 LYS A 178 -11.027 -16.633 -5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 178 -11.991 -18.370 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 178 -13.255 -18.150 -4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 -11.820 -19.996 -5.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 -11.683 -18.768 -6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 -10.458 -18.981 -5.531 1.00 0.00 H new ATOM 720 N ARG A 179 -8.511 -13.477 -6.775 1.00 0.00 N ATOM 721 CA ARG A 179 -8.198 -12.312 -7.585 1.00 0.00 C ATOM 722 C ARG A 179 -9.389 -11.947 -8.473 1.00 0.00 C ATOM 723 O ARG A 179 -9.823 -12.751 -9.298 1.00 0.00 O ATOM 724 CB ARG A 179 -6.973 -12.566 -8.465 1.00 0.00 C ATOM 725 CG ARG A 179 -5.758 -12.944 -7.616 1.00 0.00 C ATOM 726 CD ARG A 179 -4.746 -13.749 -8.435 1.00 0.00 C ATOM 727 NE ARG A 179 -3.367 -13.372 -8.050 1.00 0.00 N ATOM 728 CZ ARG A 179 -2.286 -14.124 -8.296 1.00 0.00 C ATOM 729 NH1 ARG A 179 -2.416 -15.297 -8.929 1.00 0.00 N ATOM 730 NH2 ARG A 179 -1.075 -13.700 -7.910 1.00 0.00 N ATOM 0 H ARG A 179 -8.446 -14.368 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 179 -7.979 -11.486 -6.908 1.00 0.00 H new ATOM 0 HB2 ARG A 179 -7.189 -13.366 -9.174 1.00 0.00 H new ATOM 0 HB3 ARG A 179 -6.749 -11.674 -9.050 1.00 0.00 H new ATOM 0 HG2 ARG A 179 -5.284 -12.041 -7.231 1.00 0.00 H new ATOM 0 HG3 ARG A 179 -6.080 -13.528 -6.754 1.00 0.00 H new ATOM 0 HD2 ARG A 179 -4.899 -14.816 -8.271 1.00 0.00 H new ATOM 0 HD3 ARG A 179 -4.898 -13.565 -9.499 1.00 0.00 H new ATOM 0 HE ARG A 179 -3.232 -12.484 -7.567 1.00 0.00 H new ATOM 0 HH11 ARG A 179 -3.338 -15.618 -9.224 1.00 0.00 H new ATOM 0 HH12 ARG A 179 -1.593 -15.869 -9.116 1.00 0.00 H new ATOM 0 HH21 ARG A 179 -0.977 -12.806 -7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 179 -0.251 -14.272 -8.097 1.00 0.00 H new ATOM 744 N GLY A 180 -9.884 -10.734 -8.276 1.00 0.00 N ATOM 745 CA GLY A 180 -11.017 -10.253 -9.050 1.00 0.00 C ATOM 746 C GLY A 180 -10.983 -8.729 -9.182 1.00 0.00 C ATOM 747 O GLY A 180 -10.070 -8.079 -8.675 1.00 0.00 O ATOM 0 H GLY A 180 -9.522 -10.070 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 180 -11.005 -10.708 -10.041 1.00 0.00 H new ATOM 0 HA3 GLY A 180 -11.946 -10.559 -8.570 1.00 0.00 H new ATOM 751 N MET A 181 -11.988 -8.205 -9.866 1.00 0.00 N ATOM 752 CA MET A 181 -12.086 -6.769 -10.072 1.00 0.00 C ATOM 753 C MET A 181 -12.763 -6.089 -8.880 1.00 0.00 C ATOM 754 O MET A 181 -13.748 -6.599 -8.347 1.00 0.00 O ATOM 755 CB MET A 181 -12.889 -6.488 -11.343 1.00 0.00 C ATOM 756 CG MET A 181 -12.291 -5.312 -12.119 1.00 0.00 C ATOM 757 SD MET A 181 -11.106 -5.907 -13.313 1.00 0.00 S ATOM 758 CE MET A 181 -12.213 -6.569 -14.546 1.00 0.00 C ATOM 0 H MET A 181 -12.743 -8.748 -10.285 1.00 0.00 H new ATOM 0 HA MET A 181 -11.078 -6.366 -10.172 1.00 0.00 H new ATOM 0 HB2 MET A 181 -12.901 -7.377 -11.974 1.00 0.00 H new ATOM 0 HB3 MET A 181 -13.924 -6.268 -11.083 1.00 0.00 H new ATOM 0 HG2 MET A 181 -13.083 -4.759 -12.625 1.00 0.00 H new ATOM 0 HG3 MET A 181 -11.808 -4.619 -11.430 1.00 0.00 H new ATOM 0 HE1 MET A 181 -12.004 -6.105 -15.510 1.00 0.00 H new ATOM 0 HE2 MET A 181 -12.069 -7.647 -14.623 1.00 0.00 H new ATOM 0 HE3 MET A 181 -13.244 -6.360 -14.259 1.00 0.00 H new ATOM 768 N ILE A 182 -12.209 -4.949 -8.497 1.00 0.00 N ATOM 769 CA ILE A 182 -12.748 -4.193 -7.378 1.00 0.00 C ATOM 770 C ILE A 182 -12.677 -2.698 -7.696 1.00 0.00 C ATOM 771 O ILE A 182 -11.722 -2.237 -8.317 1.00 0.00 O ATOM 772 CB ILE A 182 -12.038 -4.580 -6.079 1.00 0.00 C ATOM 773 CG1 ILE A 182 -12.035 -6.099 -5.887 1.00 0.00 C ATOM 774 CG2 ILE A 182 -12.649 -3.852 -4.881 1.00 0.00 C ATOM 775 CD1 ILE A 182 -13.447 -6.618 -5.604 1.00 0.00 C ATOM 0 H ILE A 182 -11.392 -4.530 -8.941 1.00 0.00 H new ATOM 0 HA ILE A 182 -13.799 -4.437 -7.225 1.00 0.00 H new ATOM 0 HB ILE A 182 -10.998 -4.262 -6.151 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -11.638 -6.581 -6.780 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -11.374 -6.364 -5.062 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -12.125 -4.146 -3.971 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -12.555 -2.775 -5.023 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -13.703 -4.115 -4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -13.417 -7.700 -5.472 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -13.831 -6.152 -4.697 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -14.100 -6.373 -6.442 1.00 0.00 H new ATOM 787 N PRO A 183 -13.728 -1.965 -7.243 1.00 0.00 N ATOM 788 CA PRO A 183 -13.794 -0.531 -7.473 1.00 0.00 C ATOM 789 C PRO A 183 -12.830 0.217 -6.550 1.00 0.00 C ATOM 790 O PRO A 183 -12.731 -0.095 -5.364 1.00 0.00 O ATOM 791 CB PRO A 183 -15.250 -0.161 -7.235 1.00 0.00 C ATOM 792 CG PRO A 183 -15.846 -1.308 -6.433 1.00 0.00 C ATOM 793 CD PRO A 183 -14.878 -2.478 -6.502 1.00 0.00 C ATOM 0 HA PRO A 183 -13.485 -0.252 -8.480 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -15.330 0.780 -6.690 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -15.779 -0.028 -8.179 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -16.007 -1.007 -5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -16.818 -1.592 -6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -14.590 -2.813 -5.506 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -15.326 -3.333 -7.008 1.00 0.00 H new ATOM 801 N VAL A 184 -12.142 1.190 -7.130 1.00 0.00 N ATOM 802 CA VAL A 184 -11.189 1.985 -6.375 1.00 0.00 C ATOM 803 C VAL A 184 -11.946 2.975 -5.487 1.00 0.00 C ATOM 804 O VAL A 184 -11.480 3.325 -4.404 1.00 0.00 O ATOM 805 CB VAL A 184 -10.206 2.668 -7.328 1.00 0.00 C ATOM 806 CG1 VAL A 184 -9.289 3.632 -6.572 1.00 0.00 C ATOM 807 CG2 VAL A 184 -9.392 1.635 -8.110 1.00 0.00 C ATOM 0 H VAL A 184 -12.226 1.445 -8.114 1.00 0.00 H new ATOM 0 HA VAL A 184 -10.596 1.348 -5.719 1.00 0.00 H new ATOM 0 HB VAL A 184 -10.785 3.250 -8.045 1.00 0.00 H new ATOM 0 HG11 VAL A 184 -8.600 4.104 -7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 184 -9.891 4.398 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 184 -8.722 3.082 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 184 -8.701 2.147 -8.780 1.00 0.00 H new ATOM 0 HG22 VAL A 184 -8.829 1.013 -7.414 1.00 0.00 H new ATOM 0 HG23 VAL A 184 -10.065 1.008 -8.694 1.00 0.00 H new ATOM 817 N PRO A 185 -13.133 3.408 -5.992 1.00 0.00 N ATOM 818 CA PRO A 185 -13.959 4.350 -5.257 1.00 0.00 C ATOM 819 C PRO A 185 -14.668 3.662 -4.088 1.00 0.00 C ATOM 820 O PRO A 185 -15.353 4.315 -3.301 1.00 0.00 O ATOM 821 CB PRO A 185 -14.923 4.915 -6.287 1.00 0.00 C ATOM 822 CG PRO A 185 -14.911 3.936 -7.449 1.00 0.00 C ATOM 823 CD PRO A 185 -13.716 3.015 -7.270 1.00 0.00 C ATOM 0 HA PRO A 185 -13.378 5.148 -4.795 1.00 0.00 H new ATOM 0 HB2 PRO A 185 -15.925 5.015 -5.871 1.00 0.00 H new ATOM 0 HB3 PRO A 185 -14.612 5.908 -6.610 1.00 0.00 H new ATOM 0 HG2 PRO A 185 -15.836 3.360 -7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 185 -14.843 4.470 -8.397 1.00 0.00 H new ATOM 0 HD2 PRO A 185 -14.021 1.968 -7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 185 -13.001 3.132 -8.084 1.00 0.00 H new ATOM 831 N TYR A 186 -14.479 2.353 -4.011 1.00 0.00 N ATOM 832 CA TYR A 186 -15.092 1.570 -2.952 1.00 0.00 C ATOM 833 C TYR A 186 -14.078 1.245 -1.853 1.00 0.00 C ATOM 834 O TYR A 186 -14.380 1.376 -0.668 1.00 0.00 O ATOM 835 CB TYR A 186 -15.553 0.266 -3.606 1.00 0.00 C ATOM 836 CG TYR A 186 -17.068 0.056 -3.574 1.00 0.00 C ATOM 837 CD1 TYR A 186 -17.901 0.937 -4.234 1.00 0.00 C ATOM 838 CD2 TYR A 186 -17.602 -1.015 -2.886 1.00 0.00 C ATOM 839 CE1 TYR A 186 -19.327 0.739 -4.204 1.00 0.00 C ATOM 840 CE2 TYR A 186 -19.029 -1.213 -2.856 1.00 0.00 C ATOM 841 CZ TYR A 186 -19.821 -0.326 -3.517 1.00 0.00 C ATOM 842 OH TYR A 186 -21.167 -0.512 -3.490 1.00 0.00 O ATOM 0 H TYR A 186 -13.910 1.815 -4.665 1.00 0.00 H new ATOM 0 HA TYR A 186 -15.913 2.121 -2.493 1.00 0.00 H new ATOM 0 HB2 TYR A 186 -15.216 0.253 -4.643 1.00 0.00 H new ATOM 0 HB3 TYR A 186 -15.070 -0.572 -3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 186 -17.483 1.775 -4.773 1.00 0.00 H new ATOM 0 HD2 TYR A 186 -16.950 -1.705 -2.370 1.00 0.00 H new ATOM 0 HE1 TYR A 186 -19.990 1.421 -4.716 1.00 0.00 H new ATOM 0 HE2 TYR A 186 -19.460 -2.046 -2.321 1.00 0.00 H new ATOM 0 HH TYR A 186 -21.376 -1.312 -2.964 1.00 0.00 H new ATOM 852 N VAL A 187 -12.898 0.827 -2.286 1.00 0.00 N ATOM 853 CA VAL A 187 -11.838 0.484 -1.354 1.00 0.00 C ATOM 854 C VAL A 187 -11.052 1.746 -0.992 1.00 0.00 C ATOM 855 O VAL A 187 -11.289 2.812 -1.560 1.00 0.00 O ATOM 856 CB VAL A 187 -10.958 -0.620 -1.946 1.00 0.00 C ATOM 857 CG1 VAL A 187 -11.769 -1.893 -2.195 1.00 0.00 C ATOM 858 CG2 VAL A 187 -10.274 -0.145 -3.229 1.00 0.00 C ATOM 0 H VAL A 187 -12.653 0.718 -3.270 1.00 0.00 H new ATOM 0 HA VAL A 187 -12.257 0.087 -0.429 1.00 0.00 H new ATOM 0 HB VAL A 187 -10.181 -0.856 -1.219 1.00 0.00 H new ATOM 0 HG11 VAL A 187 -11.120 -2.661 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 187 -12.188 -2.248 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 187 -12.578 -1.678 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 187 -9.655 -0.948 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 187 -11.030 0.131 -3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 187 -9.649 0.720 -3.009 1.00 0.00 H new ATOM 868 N GLU A 188 -10.132 1.583 -0.053 1.00 0.00 N ATOM 869 CA GLU A 188 -9.310 2.696 0.390 1.00 0.00 C ATOM 870 C GLU A 188 -7.836 2.285 0.430 1.00 0.00 C ATOM 871 O GLU A 188 -7.508 1.118 0.224 1.00 0.00 O ATOM 872 CB GLU A 188 -9.773 3.212 1.754 1.00 0.00 C ATOM 873 CG GLU A 188 -9.232 4.617 2.021 1.00 0.00 C ATOM 874 CD GLU A 188 -10.254 5.463 2.784 1.00 0.00 C ATOM 875 OE1 GLU A 188 -11.456 5.305 2.485 1.00 0.00 O ATOM 876 OE2 GLU A 188 -9.808 6.249 3.648 1.00 0.00 O ATOM 0 H GLU A 188 -9.938 0.697 0.413 1.00 0.00 H new ATOM 0 HA GLU A 188 -9.420 3.511 -0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 188 -10.862 3.225 1.791 1.00 0.00 H new ATOM 0 HB3 GLU A 188 -9.435 2.533 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 188 -8.308 4.552 2.595 1.00 0.00 H new ATOM 0 HG3 GLU A 188 -8.987 5.102 1.076 1.00 0.00 H new ATOM 883 N LYS A 189 -6.988 3.266 0.698 1.00 0.00 N ATOM 884 CA LYS A 189 -5.558 3.021 0.768 1.00 0.00 C ATOM 885 C LYS A 189 -5.188 2.593 2.189 1.00 0.00 C ATOM 886 O LYS A 189 -5.120 3.425 3.095 1.00 0.00 O ATOM 887 CB LYS A 189 -4.780 4.241 0.271 1.00 0.00 C ATOM 888 CG LYS A 189 -4.699 4.255 -1.257 1.00 0.00 C ATOM 889 CD LYS A 189 -3.367 4.839 -1.731 1.00 0.00 C ATOM 890 CE LYS A 189 -2.731 3.951 -2.803 1.00 0.00 C ATOM 891 NZ LYS A 189 -2.344 2.642 -2.229 1.00 0.00 N ATOM 0 H LYS A 189 -7.264 4.233 0.869 1.00 0.00 H new ATOM 0 HA LYS A 189 -5.279 2.202 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -5.264 5.153 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -3.775 4.232 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -4.812 3.241 -1.640 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -5.523 4.843 -1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -3.526 5.841 -2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -2.687 4.938 -0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -3.433 3.802 -3.623 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -1.854 4.446 -3.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 -1.561 2.238 -2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 -2.041 2.771 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 -3.158 1.996 -2.259 1.00 0.00 H new ATOM 905 N TYR A 190 -4.958 1.298 2.343 1.00 0.00 N ATOM 906 CA TYR A 190 -4.597 0.750 3.639 1.00 0.00 C ATOM 907 C TYR A 190 -3.131 1.041 3.969 1.00 0.00 C ATOM 908 O TYR A 190 -2.229 0.452 3.375 1.00 0.00 O ATOM 909 CB TYR A 190 -4.790 -0.764 3.525 1.00 0.00 C ATOM 910 CG TYR A 190 -4.421 -1.535 4.794 1.00 0.00 C ATOM 911 CD1 TYR A 190 -5.253 -1.492 5.895 1.00 0.00 C ATOM 912 CD2 TYR A 190 -3.257 -2.275 4.839 1.00 0.00 C ATOM 913 CE1 TYR A 190 -4.906 -2.217 7.089 1.00 0.00 C ATOM 914 CE2 TYR A 190 -2.910 -3.001 6.032 1.00 0.00 C ATOM 915 CZ TYR A 190 -3.752 -2.936 7.100 1.00 0.00 C ATOM 916 OH TYR A 190 -3.424 -3.622 8.227 1.00 0.00 O ATOM 0 H TYR A 190 -5.015 0.611 1.591 1.00 0.00 H new ATOM 0 HA TYR A 190 -5.208 1.192 4.426 1.00 0.00 H new ATOM 0 HB2 TYR A 190 -5.831 -0.970 3.277 1.00 0.00 H new ATOM 0 HB3 TYR A 190 -4.186 -1.136 2.697 1.00 0.00 H new ATOM 0 HD1 TYR A 190 -6.165 -0.914 5.860 1.00 0.00 H new ATOM 0 HD2 TYR A 190 -2.606 -2.309 3.978 1.00 0.00 H new ATOM 0 HE1 TYR A 190 -5.548 -2.190 7.957 1.00 0.00 H new ATOM 0 HE2 TYR A 190 -2.002 -3.584 6.079 1.00 0.00 H new ATOM 0 HH TYR A 190 -2.574 -4.090 8.089 1.00 0.00 H new