USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 400 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= 0.0268 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+ -167:sc= -9.62! (180deg=-10.4!) USER MOD Single : A 168 GLN : amide:sc= -0.0538 K(o=-0.054,f=-0.72) USER MOD Single : A 171 ASN : amide:sc= -2.06 K(o=-2.1,f=-4!) 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 180:sc= 0 (180deg=0) USER MOD Single : A 186 TYR OH : rot -69:sc= 0.186 USER MOD Single : A 189 LYS NZ :NH3+ -127:sc= -0.201 (180deg=-3.66!) USER MOD ----------------------------------------------------------------- ATOM 26 N TYR A 136 4.932 4.029 -0.186 1.00 0.00 N ATOM 27 CA TYR A 136 6.142 4.380 0.537 1.00 0.00 C ATOM 28 C TYR A 136 6.543 3.268 1.508 1.00 0.00 C ATOM 29 O TYR A 136 5.706 2.755 2.250 1.00 0.00 O ATOM 30 CB TYR A 136 5.805 5.641 1.336 1.00 0.00 C ATOM 31 CG TYR A 136 6.151 6.945 0.615 1.00 0.00 C ATOM 32 CD1 TYR A 136 7.466 7.247 0.327 1.00 0.00 C ATOM 33 CD2 TYR A 136 5.146 7.820 0.252 1.00 0.00 C ATOM 34 CE1 TYR A 136 7.792 8.475 -0.352 1.00 0.00 C ATOM 35 CE2 TYR A 136 5.472 9.047 -0.427 1.00 0.00 C ATOM 36 CZ TYR A 136 6.778 9.315 -0.696 1.00 0.00 C ATOM 37 OH TYR A 136 7.084 10.474 -1.337 1.00 0.00 O ATOM 0 HA TYR A 136 6.971 4.532 -0.154 1.00 0.00 H new ATOM 0 HB2 TYR A 136 4.740 5.638 1.568 1.00 0.00 H new ATOM 0 HB3 TYR A 136 6.339 5.610 2.286 1.00 0.00 H new ATOM 0 HD1 TYR A 136 8.252 6.562 0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 136 4.116 7.584 0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 136 8.817 8.723 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 136 4.696 9.740 -0.717 1.00 0.00 H new ATOM 0 HH TYR A 136 6.261 10.973 -1.521 1.00 0.00 H new ATOM 47 N VAL A 137 7.823 2.928 1.472 1.00 0.00 N ATOM 48 CA VAL A 137 8.346 1.886 2.340 1.00 0.00 C ATOM 49 C VAL A 137 9.692 2.334 2.914 1.00 0.00 C ATOM 50 O VAL A 137 10.279 3.306 2.442 1.00 0.00 O ATOM 51 CB VAL A 137 8.432 0.564 1.576 1.00 0.00 C ATOM 52 CG1 VAL A 137 7.049 -0.074 1.426 1.00 0.00 C ATOM 53 CG2 VAL A 137 9.096 0.760 0.212 1.00 0.00 C ATOM 0 H VAL A 137 8.514 3.356 0.855 1.00 0.00 H new ATOM 0 HA VAL A 137 7.674 1.717 3.182 1.00 0.00 H new ATOM 0 HB VAL A 137 9.054 -0.117 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 137 7.139 -1.013 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 137 6.629 -0.268 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 137 6.393 0.603 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 137 9.144 -0.196 -0.310 1.00 0.00 H new ATOM 0 HG22 VAL A 137 8.513 1.467 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 137 10.105 1.149 0.351 1.00 0.00 H new ATOM 63 N ARG A 138 10.140 1.603 3.924 1.00 0.00 N ATOM 64 CA ARG A 138 11.405 1.913 4.568 1.00 0.00 C ATOM 65 C ARG A 138 12.291 0.666 4.622 1.00 0.00 C ATOM 66 O ARG A 138 11.812 -0.450 4.430 1.00 0.00 O ATOM 67 CB ARG A 138 11.187 2.438 5.988 1.00 0.00 C ATOM 68 CG ARG A 138 10.180 1.569 6.746 1.00 0.00 C ATOM 69 CD ARG A 138 9.394 2.400 7.760 1.00 0.00 C ATOM 70 NE ARG A 138 9.125 3.748 7.212 1.00 0.00 N ATOM 71 CZ ARG A 138 9.075 4.864 7.952 1.00 0.00 C ATOM 72 NH1 ARG A 138 9.274 4.800 9.276 1.00 0.00 N ATOM 73 NH2 ARG A 138 8.825 6.044 7.368 1.00 0.00 N ATOM 0 H ARG A 138 9.650 0.797 4.312 1.00 0.00 H new ATOM 0 HA ARG A 138 11.896 2.688 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 138 12.136 2.452 6.524 1.00 0.00 H new ATOM 0 HB3 ARG A 138 10.828 3.466 5.948 1.00 0.00 H new ATOM 0 HG2 ARG A 138 9.492 1.104 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 138 10.704 0.763 7.259 1.00 0.00 H new ATOM 0 HD2 ARG A 138 8.454 1.902 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 138 9.957 2.482 8.689 1.00 0.00 H new ATOM 0 HE ARG A 138 8.968 3.833 6.208 1.00 0.00 H new ATOM 0 HH11 ARG A 138 9.464 3.902 9.720 1.00 0.00 H new ATOM 0 HH12 ARG A 138 9.236 5.650 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 138 8.673 6.092 6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 138 8.787 6.894 7.931 1.00 0.00 H new ATOM 87 N ALA A 139 13.569 0.899 4.885 1.00 0.00 N ATOM 88 CA ALA A 139 14.527 -0.190 4.968 1.00 0.00 C ATOM 89 C ALA A 139 15.212 -0.159 6.335 1.00 0.00 C ATOM 90 O ALA A 139 16.206 0.541 6.519 1.00 0.00 O ATOM 91 CB ALA A 139 15.524 -0.083 3.813 1.00 0.00 C ATOM 0 H ALA A 139 13.963 1.826 5.043 1.00 0.00 H new ATOM 0 HA ALA A 139 14.023 -1.152 4.875 1.00 0.00 H new ATOM 0 HB1 ALA A 139 16.243 -0.900 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 139 14.990 -0.141 2.865 1.00 0.00 H new ATOM 0 HB3 ALA A 139 16.051 0.869 3.874 1.00 0.00 H new ATOM 97 N LEU A 140 14.654 -0.926 7.260 1.00 0.00 N ATOM 98 CA LEU A 140 15.200 -0.995 8.605 1.00 0.00 C ATOM 99 C LEU A 140 16.113 -2.216 8.718 1.00 0.00 C ATOM 100 O LEU A 140 16.316 -2.746 9.810 1.00 0.00 O ATOM 101 CB LEU A 140 14.074 -0.971 9.641 1.00 0.00 C ATOM 102 CG LEU A 140 12.655 -1.141 9.094 1.00 0.00 C ATOM 103 CD1 LEU A 140 12.459 -2.538 8.504 1.00 0.00 C ATOM 104 CD2 LEU A 140 11.612 -0.820 10.167 1.00 0.00 C ATOM 0 H LEU A 140 13.829 -1.505 7.105 1.00 0.00 H new ATOM 0 HA LEU A 140 15.813 -0.118 8.813 1.00 0.00 H new ATOM 0 HB2 LEU A 140 14.259 -1.762 10.368 1.00 0.00 H new ATOM 0 HB3 LEU A 140 14.123 -0.025 10.180 1.00 0.00 H new ATOM 0 HG LEU A 140 12.513 -0.426 8.283 1.00 0.00 H new ATOM 0 HD11 LEU A 140 11.442 -2.632 8.122 1.00 0.00 H new ATOM 0 HD12 LEU A 140 13.168 -2.692 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 140 12.627 -3.287 9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 140 10.612 -0.949 9.752 1.00 0.00 H new ATOM 0 HD22 LEU A 140 11.743 -1.493 11.014 1.00 0.00 H new ATOM 0 HD23 LEU A 140 11.737 0.211 10.499 1.00 0.00 H new ATOM 116 N PHE A 141 16.642 -2.629 7.575 1.00 0.00 N ATOM 117 CA PHE A 141 17.530 -3.778 7.532 1.00 0.00 C ATOM 118 C PHE A 141 18.722 -3.515 6.610 1.00 0.00 C ATOM 119 O PHE A 141 19.690 -4.275 6.609 1.00 0.00 O ATOM 120 CB PHE A 141 16.719 -4.950 6.977 1.00 0.00 C ATOM 121 CG PHE A 141 16.912 -6.260 7.744 1.00 0.00 C ATOM 122 CD1 PHE A 141 18.129 -6.867 7.757 1.00 0.00 C ATOM 123 CD2 PHE A 141 15.867 -6.817 8.412 1.00 0.00 C ATOM 124 CE1 PHE A 141 18.308 -8.082 8.468 1.00 0.00 C ATOM 125 CE2 PHE A 141 16.046 -8.033 9.123 1.00 0.00 C ATOM 126 CZ PHE A 141 17.263 -8.639 9.137 1.00 0.00 C ATOM 0 H PHE A 141 16.472 -2.188 6.671 1.00 0.00 H new ATOM 0 HA PHE A 141 17.916 -3.987 8.530 1.00 0.00 H new ATOM 0 HB2 PHE A 141 15.662 -4.685 6.991 1.00 0.00 H new ATOM 0 HB3 PHE A 141 16.995 -5.108 5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 141 18.959 -6.424 7.226 1.00 0.00 H new ATOM 0 HD2 PHE A 141 14.901 -6.335 8.402 1.00 0.00 H new ATOM 0 HE1 PHE A 141 19.274 -8.564 8.478 1.00 0.00 H new ATOM 0 HE2 PHE A 141 15.216 -8.476 9.653 1.00 0.00 H new ATOM 0 HZ PHE A 141 17.400 -9.563 9.679 1.00 0.00 H new ATOM 136 N ASP A 142 18.613 -2.438 5.847 1.00 0.00 N ATOM 137 CA ASP A 142 19.670 -2.066 4.922 1.00 0.00 C ATOM 138 C ASP A 142 19.955 -3.240 3.981 1.00 0.00 C ATOM 139 O ASP A 142 19.627 -4.383 4.292 1.00 0.00 O ATOM 140 CB ASP A 142 20.964 -1.734 5.668 1.00 0.00 C ATOM 141 CG ASP A 142 22.213 -2.448 5.146 1.00 0.00 C ATOM 142 OD1 ASP A 142 22.816 -1.912 4.191 1.00 0.00 O ATOM 143 OD2 ASP A 142 22.536 -3.513 5.714 1.00 0.00 O ATOM 0 H ASP A 142 17.809 -1.811 5.850 1.00 0.00 H new ATOM 0 HA ASP A 142 19.338 -1.188 4.367 1.00 0.00 H new ATOM 0 HB2 ASP A 142 21.130 -0.658 5.615 1.00 0.00 H new ATOM 0 HB3 ASP A 142 20.834 -1.985 6.721 1.00 0.00 H new ATOM 148 N PHE A 143 20.562 -2.914 2.849 1.00 0.00 N ATOM 149 CA PHE A 143 20.894 -3.927 1.862 1.00 0.00 C ATOM 150 C PHE A 143 21.914 -3.395 0.852 1.00 0.00 C ATOM 151 O PHE A 143 22.973 -3.990 0.662 1.00 0.00 O ATOM 152 CB PHE A 143 19.600 -4.276 1.125 1.00 0.00 C ATOM 153 CG PHE A 143 19.789 -5.250 -0.040 1.00 0.00 C ATOM 154 CD1 PHE A 143 20.300 -6.490 0.188 1.00 0.00 C ATOM 155 CD2 PHE A 143 19.446 -4.876 -1.302 1.00 0.00 C ATOM 156 CE1 PHE A 143 20.475 -7.394 -0.894 1.00 0.00 C ATOM 157 CE2 PHE A 143 19.623 -5.781 -2.382 1.00 0.00 C ATOM 158 CZ PHE A 143 20.133 -7.020 -2.155 1.00 0.00 C ATOM 0 H PHE A 143 20.832 -1.964 2.594 1.00 0.00 H new ATOM 0 HA PHE A 143 21.329 -4.797 2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 143 18.895 -4.708 1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 143 19.150 -3.358 0.748 1.00 0.00 H new ATOM 0 HD1 PHE A 143 20.572 -6.787 1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 143 19.039 -3.892 -1.482 1.00 0.00 H new ATOM 0 HE1 PHE A 143 20.880 -8.379 -0.714 1.00 0.00 H new ATOM 0 HE2 PHE A 143 19.352 -5.484 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 143 20.267 -7.708 -2.977 1.00 0.00 H new ATOM 245 N ASP A 150 18.213 -3.599 -8.188 1.00 0.00 N ATOM 246 CA ASP A 150 17.891 -3.639 -6.772 1.00 0.00 C ATOM 247 C ASP A 150 18.157 -2.265 -6.154 1.00 0.00 C ATOM 248 O ASP A 150 19.292 -1.790 -6.149 1.00 0.00 O ATOM 249 CB ASP A 150 18.760 -4.663 -6.038 1.00 0.00 C ATOM 250 CG ASP A 150 18.707 -6.082 -6.609 1.00 0.00 C ATOM 251 OD1 ASP A 150 19.366 -6.300 -7.649 1.00 0.00 O ATOM 252 OD2 ASP A 150 18.010 -6.916 -5.992 1.00 0.00 O ATOM 0 HA ASP A 150 16.842 -3.918 -6.673 1.00 0.00 H new ATOM 0 HB2 ASP A 150 19.794 -4.319 -6.055 1.00 0.00 H new ATOM 0 HB3 ASP A 150 18.452 -4.696 -4.993 1.00 0.00 H new ATOM 257 N LEU A 151 17.091 -1.664 -5.646 1.00 0.00 N ATOM 258 CA LEU A 151 17.195 -0.354 -5.026 1.00 0.00 C ATOM 259 C LEU A 151 17.947 -0.479 -3.700 1.00 0.00 C ATOM 260 O LEU A 151 17.489 -1.163 -2.785 1.00 0.00 O ATOM 261 CB LEU A 151 15.812 0.285 -4.890 1.00 0.00 C ATOM 262 CG LEU A 151 15.674 1.365 -3.815 1.00 0.00 C ATOM 263 CD1 LEU A 151 16.869 2.321 -3.843 1.00 0.00 C ATOM 264 CD2 LEU A 151 14.343 2.107 -3.949 1.00 0.00 C ATOM 0 H LEU A 151 16.151 -2.060 -5.651 1.00 0.00 H new ATOM 0 HA LEU A 151 17.773 0.321 -5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 151 15.539 0.720 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 151 15.089 -0.503 -4.680 1.00 0.00 H new ATOM 0 HG LEU A 151 15.673 0.878 -2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 151 16.747 3.079 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 151 17.787 1.762 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 151 16.926 2.804 -4.819 1.00 0.00 H new ATOM 0 HD21 LEU A 151 14.271 2.869 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 151 14.288 2.581 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 151 13.520 1.400 -3.841 1.00 0.00 H new ATOM 276 N PRO A 152 19.119 0.207 -3.636 1.00 0.00 N ATOM 277 CA PRO A 152 19.939 0.179 -2.437 1.00 0.00 C ATOM 278 C PRO A 152 19.330 1.049 -1.336 1.00 0.00 C ATOM 279 O PRO A 152 19.017 2.216 -1.563 1.00 0.00 O ATOM 280 CB PRO A 152 21.309 0.662 -2.885 1.00 0.00 C ATOM 281 CG PRO A 152 21.085 1.380 -4.206 1.00 0.00 C ATOM 282 CD PRO A 152 19.692 1.026 -4.701 1.00 0.00 C ATOM 0 HA PRO A 152 20.006 -0.816 -1.997 1.00 0.00 H new ATOM 0 HB2 PRO A 152 21.748 1.332 -2.146 1.00 0.00 H new ATOM 0 HB3 PRO A 152 21.998 -0.174 -3.007 1.00 0.00 H new ATOM 0 HG2 PRO A 152 21.181 2.458 -4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 152 21.837 1.079 -4.936 1.00 0.00 H new ATOM 0 HD2 PRO A 152 19.095 1.921 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 152 19.733 0.479 -5.643 1.00 0.00 H new ATOM 290 N PHE A 153 19.180 0.446 -0.165 1.00 0.00 N ATOM 291 CA PHE A 153 18.614 1.151 0.972 1.00 0.00 C ATOM 292 C PHE A 153 19.396 0.844 2.251 1.00 0.00 C ATOM 293 O PHE A 153 20.003 -0.218 2.373 1.00 0.00 O ATOM 294 CB PHE A 153 17.176 0.653 1.136 1.00 0.00 C ATOM 295 CG PHE A 153 17.032 -0.869 1.066 1.00 0.00 C ATOM 296 CD1 PHE A 153 17.417 -1.637 2.119 1.00 0.00 C ATOM 297 CD2 PHE A 153 16.519 -1.451 -0.050 1.00 0.00 C ATOM 298 CE1 PHE A 153 17.283 -3.050 2.054 1.00 0.00 C ATOM 299 CE2 PHE A 153 16.384 -2.863 -0.116 1.00 0.00 C ATOM 300 CZ PHE A 153 16.769 -3.633 0.937 1.00 0.00 C ATOM 0 H PHE A 153 19.441 -0.523 0.020 1.00 0.00 H new ATOM 0 HA PHE A 153 18.655 2.227 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 153 16.789 1.000 2.094 1.00 0.00 H new ATOM 0 HB3 PHE A 153 16.556 1.102 0.360 1.00 0.00 H new ATOM 0 HD1 PHE A 153 17.825 -1.173 3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 153 16.214 -0.840 -0.886 1.00 0.00 H new ATOM 0 HE1 PHE A 153 17.589 -3.661 2.890 1.00 0.00 H new ATOM 0 HE2 PHE A 153 15.976 -3.326 -1.002 1.00 0.00 H new ATOM 0 HZ PHE A 153 16.667 -4.707 0.887 1.00 0.00 H new ATOM 310 N LYS A 154 19.354 1.795 3.173 1.00 0.00 N ATOM 311 CA LYS A 154 20.050 1.639 4.439 1.00 0.00 C ATOM 312 C LYS A 154 19.383 2.523 5.496 1.00 0.00 C ATOM 313 O LYS A 154 18.837 3.577 5.174 1.00 0.00 O ATOM 314 CB LYS A 154 21.546 1.913 4.265 1.00 0.00 C ATOM 315 CG LYS A 154 22.320 0.612 4.048 1.00 0.00 C ATOM 316 CD LYS A 154 23.413 0.793 2.993 1.00 0.00 C ATOM 317 CE LYS A 154 24.543 1.678 3.520 1.00 0.00 C ATOM 318 NZ LYS A 154 25.843 1.251 2.956 1.00 0.00 N ATOM 0 H LYS A 154 18.849 2.675 3.069 1.00 0.00 H new ATOM 0 HA LYS A 154 19.975 0.610 4.790 1.00 0.00 H new ATOM 0 HB2 LYS A 154 21.701 2.578 3.416 1.00 0.00 H new ATOM 0 HB3 LYS A 154 21.930 2.426 5.146 1.00 0.00 H new ATOM 0 HG2 LYS A 154 22.767 0.290 4.988 1.00 0.00 H new ATOM 0 HG3 LYS A 154 21.634 -0.175 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 154 23.812 -0.180 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 154 22.986 1.239 2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 154 24.350 2.718 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 154 24.577 1.625 4.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 26.599 1.863 3.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 26.032 0.265 3.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 25.813 1.325 1.919 1.00 0.00 H new ATOM 332 N LYS A 155 19.449 2.060 6.735 1.00 0.00 N ATOM 333 CA LYS A 155 18.858 2.794 7.841 1.00 0.00 C ATOM 334 C LYS A 155 17.446 3.240 7.455 1.00 0.00 C ATOM 335 O LYS A 155 17.264 4.317 6.889 1.00 0.00 O ATOM 336 CB LYS A 155 19.771 3.945 8.268 1.00 0.00 C ATOM 337 CG LYS A 155 19.063 4.866 9.265 1.00 0.00 C ATOM 338 CD LYS A 155 18.314 4.054 10.323 1.00 0.00 C ATOM 339 CE LYS A 155 19.280 3.199 11.144 1.00 0.00 C ATOM 340 NZ LYS A 155 19.775 3.956 12.316 1.00 0.00 N ATOM 0 H LYS A 155 19.903 1.185 6.998 1.00 0.00 H new ATOM 0 HA LYS A 155 18.762 2.152 8.716 1.00 0.00 H new ATOM 0 HB2 LYS A 155 20.679 3.545 8.719 1.00 0.00 H new ATOM 0 HB3 LYS A 155 20.075 4.517 7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 155 19.793 5.515 9.749 1.00 0.00 H new ATOM 0 HG3 LYS A 155 18.364 5.513 8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 155 17.767 4.727 10.983 1.00 0.00 H new ATOM 0 HD3 LYS A 155 17.576 3.413 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 155 18.778 2.290 11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 155 20.120 2.890 10.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 155 20.430 3.361 12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 155 20.272 4.811 11.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 155 18.972 4.229 12.917 1.00 0.00 H new ATOM 354 N GLY A 156 16.483 2.388 7.775 1.00 0.00 N ATOM 355 CA GLY A 156 15.093 2.681 7.468 1.00 0.00 C ATOM 356 C GLY A 156 14.982 3.592 6.244 1.00 0.00 C ATOM 357 O GLY A 156 14.221 4.558 6.253 1.00 0.00 O ATOM 0 H GLY A 156 16.638 1.495 8.243 1.00 0.00 H new ATOM 0 HA2 GLY A 156 14.554 1.752 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 156 14.620 3.159 8.326 1.00 0.00 H new ATOM 361 N ASP A 157 15.752 3.252 5.221 1.00 0.00 N ATOM 362 CA ASP A 157 15.749 4.028 3.992 1.00 0.00 C ATOM 363 C ASP A 157 14.307 4.369 3.614 1.00 0.00 C ATOM 364 O ASP A 157 13.365 3.823 4.186 1.00 0.00 O ATOM 365 CB ASP A 157 16.365 3.233 2.839 1.00 0.00 C ATOM 366 CG ASP A 157 17.208 4.058 1.863 1.00 0.00 C ATOM 367 OD1 ASP A 157 16.591 4.734 1.012 1.00 0.00 O ATOM 368 OD2 ASP A 157 18.449 3.993 1.991 1.00 0.00 O ATOM 0 H ASP A 157 16.382 2.450 5.218 1.00 0.00 H new ATOM 0 HA ASP A 157 16.335 4.932 4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 157 16.988 2.442 3.255 1.00 0.00 H new ATOM 0 HB3 ASP A 157 15.563 2.748 2.283 1.00 0.00 H new ATOM 373 N ILE A 158 14.180 5.271 2.651 1.00 0.00 N ATOM 374 CA ILE A 158 12.868 5.693 2.189 1.00 0.00 C ATOM 375 C ILE A 158 12.713 5.331 0.710 1.00 0.00 C ATOM 376 O ILE A 158 13.560 5.678 -0.110 1.00 0.00 O ATOM 377 CB ILE A 158 12.647 7.177 2.485 1.00 0.00 C ATOM 378 CG1 ILE A 158 12.576 7.431 3.992 1.00 0.00 C ATOM 379 CG2 ILE A 158 11.409 7.704 1.756 1.00 0.00 C ATOM 380 CD1 ILE A 158 11.581 6.482 4.662 1.00 0.00 C ATOM 0 H ILE A 158 14.964 5.721 2.178 1.00 0.00 H new ATOM 0 HA ILE A 158 12.085 5.164 2.732 1.00 0.00 H new ATOM 0 HB ILE A 158 13.505 7.732 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 158 13.564 7.299 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 158 12.280 8.464 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 158 11.275 8.761 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 158 11.539 7.578 0.681 1.00 0.00 H new ATOM 0 HG23 ILE A 158 10.530 7.148 2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 158 11.550 6.684 5.733 1.00 0.00 H new ATOM 0 HD12 ILE A 158 10.590 6.634 4.235 1.00 0.00 H new ATOM 0 HD13 ILE A 158 11.893 5.451 4.496 1.00 0.00 H new ATOM 392 N LEU A 159 11.622 4.638 0.415 1.00 0.00 N ATOM 393 CA LEU A 159 11.345 4.225 -0.949 1.00 0.00 C ATOM 394 C LEU A 159 9.839 4.310 -1.208 1.00 0.00 C ATOM 395 O LEU A 159 9.070 4.646 -0.308 1.00 0.00 O ATOM 396 CB LEU A 159 11.937 2.840 -1.222 1.00 0.00 C ATOM 397 CG LEU A 159 13.127 2.436 -0.348 1.00 0.00 C ATOM 398 CD1 LEU A 159 12.660 1.997 1.042 1.00 0.00 C ATOM 399 CD2 LEU A 159 13.972 1.362 -1.035 1.00 0.00 C ATOM 0 H LEU A 159 10.920 4.353 1.098 1.00 0.00 H new ATOM 0 HA LEU A 159 11.830 4.899 -1.655 1.00 0.00 H new ATOM 0 HB2 LEU A 159 11.149 2.098 -1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 159 12.247 2.799 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 159 13.765 3.309 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 159 13.524 1.715 1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 159 12.134 2.820 1.526 1.00 0.00 H new ATOM 0 HD13 LEU A 159 11.989 1.143 0.948 1.00 0.00 H new ATOM 0 HD21 LEU A 159 14.811 1.093 -0.393 1.00 0.00 H new ATOM 0 HD22 LEU A 159 13.359 0.480 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 159 14.349 1.747 -1.982 1.00 0.00 H new ATOM 411 N ARG A 160 9.463 4.001 -2.440 1.00 0.00 N ATOM 412 CA ARG A 160 8.063 4.039 -2.828 1.00 0.00 C ATOM 413 C ARG A 160 7.708 2.800 -3.652 1.00 0.00 C ATOM 414 O ARG A 160 8.571 2.213 -4.301 1.00 0.00 O ATOM 415 CB ARG A 160 7.752 5.293 -3.645 1.00 0.00 C ATOM 416 CG ARG A 160 7.959 6.559 -2.809 1.00 0.00 C ATOM 417 CD ARG A 160 9.305 7.213 -3.130 1.00 0.00 C ATOM 418 NE ARG A 160 9.314 7.693 -4.530 1.00 0.00 N ATOM 419 CZ ARG A 160 8.838 8.883 -4.920 1.00 0.00 C ATOM 420 NH1 ARG A 160 8.314 9.723 -4.016 1.00 0.00 N ATOM 421 NH2 ARG A 160 8.888 9.235 -6.212 1.00 0.00 N ATOM 0 H ARG A 160 10.104 3.723 -3.183 1.00 0.00 H new ATOM 0 HA ARG A 160 7.466 4.057 -1.916 1.00 0.00 H new ATOM 0 HB2 ARG A 160 8.393 5.326 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 160 6.723 5.253 -4.002 1.00 0.00 H new ATOM 0 HG2 ARG A 160 7.152 7.265 -3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 160 7.915 6.310 -1.749 1.00 0.00 H new ATOM 0 HD2 ARG A 160 9.485 8.046 -2.450 1.00 0.00 H new ATOM 0 HD3 ARG A 160 10.112 6.497 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 160 9.708 7.079 -5.243 1.00 0.00 H new ATOM 0 HH11 ARG A 160 8.278 9.456 -3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 160 7.951 10.629 -4.312 1.00 0.00 H new ATOM 0 HH21 ARG A 160 9.289 8.597 -6.899 1.00 0.00 H new ATOM 0 HH22 ARG A 160 8.525 10.141 -6.508 1.00 0.00 H new ATOM 435 N ILE A 161 6.433 2.440 -3.598 1.00 0.00 N ATOM 436 CA ILE A 161 5.953 1.281 -4.331 1.00 0.00 C ATOM 437 C ILE A 161 5.592 1.699 -5.759 1.00 0.00 C ATOM 438 O ILE A 161 4.716 2.540 -5.960 1.00 0.00 O ATOM 439 CB ILE A 161 4.802 0.610 -3.578 1.00 0.00 C ATOM 440 CG1 ILE A 161 5.307 -0.567 -2.742 1.00 0.00 C ATOM 441 CG2 ILE A 161 3.687 0.193 -4.540 1.00 0.00 C ATOM 442 CD1 ILE A 161 6.462 -0.139 -1.835 1.00 0.00 C ATOM 0 H ILE A 161 5.719 2.930 -3.059 1.00 0.00 H new ATOM 0 HA ILE A 161 6.737 0.527 -4.407 1.00 0.00 H new ATOM 0 HB ILE A 161 4.376 1.337 -2.887 1.00 0.00 H new ATOM 0 HG12 ILE A 161 4.492 -0.964 -2.136 1.00 0.00 H new ATOM 0 HG13 ILE A 161 5.636 -1.371 -3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 161 2.881 -0.281 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 161 3.302 1.074 -5.054 1.00 0.00 H new ATOM 0 HG23 ILE A 161 4.083 -0.511 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 161 6.803 -0.994 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 161 7.284 0.235 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 161 6.123 0.648 -1.161 1.00 0.00 H new ATOM 454 N ARG A 162 6.286 1.095 -6.711 1.00 0.00 N ATOM 455 CA ARG A 162 6.050 1.395 -8.113 1.00 0.00 C ATOM 456 C ARG A 162 5.337 0.224 -8.794 1.00 0.00 C ATOM 457 O ARG A 162 4.288 0.405 -9.409 1.00 0.00 O ATOM 458 CB ARG A 162 7.363 1.679 -8.845 1.00 0.00 C ATOM 459 CG ARG A 162 7.140 1.783 -10.355 1.00 0.00 C ATOM 460 CD ARG A 162 7.592 3.145 -10.883 1.00 0.00 C ATOM 461 NE ARG A 162 6.486 4.122 -10.777 1.00 0.00 N ATOM 462 CZ ARG A 162 5.532 4.282 -11.705 1.00 0.00 C ATOM 463 NH1 ARG A 162 5.544 3.529 -12.813 1.00 0.00 N ATOM 464 NH2 ARG A 162 4.567 5.194 -11.524 1.00 0.00 N ATOM 0 H ARG A 162 7.012 0.399 -6.540 1.00 0.00 H new ATOM 0 HA ARG A 162 5.422 2.285 -8.160 1.00 0.00 H new ATOM 0 HB2 ARG A 162 7.797 2.607 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 162 8.080 0.885 -8.634 1.00 0.00 H new ATOM 0 HG2 ARG A 162 7.691 0.991 -10.863 1.00 0.00 H new ATOM 0 HG3 ARG A 162 6.084 1.633 -10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 162 8.454 3.496 -10.316 1.00 0.00 H new ATOM 0 HD3 ARG A 162 7.910 3.054 -11.922 1.00 0.00 H new ATOM 0 HE ARG A 162 6.447 4.711 -9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 162 6.279 2.835 -12.950 1.00 0.00 H new ATOM 0 HH12 ARG A 162 4.819 3.650 -13.520 1.00 0.00 H new ATOM 0 HH21 ARG A 162 4.558 5.767 -10.680 1.00 0.00 H new ATOM 0 HH22 ARG A 162 3.841 5.316 -12.230 1.00 0.00 H new ATOM 478 N ASP A 163 5.938 -0.950 -8.662 1.00 0.00 N ATOM 479 CA ASP A 163 5.374 -2.150 -9.255 1.00 0.00 C ATOM 480 C ASP A 163 5.751 -3.362 -8.402 1.00 0.00 C ATOM 481 O ASP A 163 6.931 -3.612 -8.159 1.00 0.00 O ATOM 482 CB ASP A 163 5.921 -2.375 -10.666 1.00 0.00 C ATOM 483 CG ASP A 163 5.165 -1.645 -11.779 1.00 0.00 C ATOM 484 OD1 ASP A 163 3.982 -1.995 -11.984 1.00 0.00 O ATOM 485 OD2 ASP A 163 5.786 -0.755 -12.397 1.00 0.00 O ATOM 0 H ASP A 163 6.810 -1.095 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 163 4.292 -2.026 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 163 6.964 -2.060 -10.689 1.00 0.00 H new ATOM 0 HB3 ASP A 163 5.906 -3.444 -10.879 1.00 0.00 H new ATOM 490 N LYS A 164 4.727 -4.084 -7.970 1.00 0.00 N ATOM 491 CA LYS A 164 4.937 -5.264 -7.149 1.00 0.00 C ATOM 492 C LYS A 164 4.496 -6.506 -7.926 1.00 0.00 C ATOM 493 O LYS A 164 3.320 -6.866 -7.913 1.00 0.00 O ATOM 494 CB LYS A 164 4.241 -5.106 -5.796 1.00 0.00 C ATOM 495 CG LYS A 164 4.437 -3.695 -5.239 1.00 0.00 C ATOM 496 CD LYS A 164 5.881 -3.482 -4.781 1.00 0.00 C ATOM 497 CE LYS A 164 6.470 -2.209 -5.394 1.00 0.00 C ATOM 498 NZ LYS A 164 7.686 -1.795 -4.660 1.00 0.00 N ATOM 0 H LYS A 164 3.750 -3.874 -8.173 1.00 0.00 H new ATOM 0 HA LYS A 164 5.996 -5.388 -6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 164 3.176 -5.313 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 164 4.638 -5.837 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 164 4.182 -2.960 -6.002 1.00 0.00 H new ATOM 0 HG3 LYS A 164 3.758 -3.533 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 164 5.915 -3.415 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 164 6.487 -4.342 -5.067 1.00 0.00 H new ATOM 0 HE2 LYS A 164 6.712 -2.382 -6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 164 5.731 -1.409 -5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 164 7.947 -0.827 -4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 164 7.501 -1.824 -3.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 164 8.467 -2.443 -4.889 1.00 0.00 H new ATOM 512 N PRO A 165 5.489 -7.143 -8.604 1.00 0.00 N ATOM 513 CA PRO A 165 5.215 -8.336 -9.385 1.00 0.00 C ATOM 514 C PRO A 165 5.009 -9.551 -8.477 1.00 0.00 C ATOM 515 O PRO A 165 4.034 -10.285 -8.630 1.00 0.00 O ATOM 516 CB PRO A 165 6.413 -8.484 -10.310 1.00 0.00 C ATOM 517 CG PRO A 165 7.520 -7.643 -9.696 1.00 0.00 C ATOM 518 CD PRO A 165 6.893 -6.744 -8.642 1.00 0.00 C ATOM 0 HA PRO A 165 4.291 -8.260 -9.959 1.00 0.00 H new ATOM 0 HB2 PRO A 165 6.716 -9.528 -10.393 1.00 0.00 H new ATOM 0 HB3 PRO A 165 6.174 -8.141 -11.316 1.00 0.00 H new ATOM 0 HG2 PRO A 165 8.281 -8.282 -9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 165 8.015 -7.046 -10.462 1.00 0.00 H new ATOM 0 HD2 PRO A 165 7.370 -6.879 -7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 165 6.999 -5.692 -8.905 1.00 0.00 H new ATOM 526 N GLU A 166 5.941 -9.724 -7.552 1.00 0.00 N ATOM 527 CA GLU A 166 5.873 -10.837 -6.620 1.00 0.00 C ATOM 528 C GLU A 166 5.692 -10.321 -5.191 1.00 0.00 C ATOM 529 O GLU A 166 5.496 -9.124 -4.978 1.00 0.00 O ATOM 530 CB GLU A 166 7.116 -11.721 -6.730 1.00 0.00 C ATOM 531 CG GLU A 166 7.503 -11.943 -8.194 1.00 0.00 C ATOM 532 CD GLU A 166 7.860 -13.408 -8.450 1.00 0.00 C ATOM 533 OE1 GLU A 166 9.044 -13.748 -8.239 1.00 0.00 O ATOM 534 OE2 GLU A 166 6.941 -14.154 -8.853 1.00 0.00 O ATOM 0 H GLU A 166 6.748 -9.112 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 166 5.009 -11.449 -6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 166 7.946 -11.256 -6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 166 6.927 -12.681 -6.250 1.00 0.00 H new ATOM 0 HG2 GLU A 166 6.677 -11.648 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 166 8.351 -11.308 -8.450 1.00 0.00 H new ATOM 541 N GLU A 167 5.763 -11.248 -4.247 1.00 0.00 N ATOM 542 CA GLU A 167 5.610 -10.902 -2.845 1.00 0.00 C ATOM 543 C GLU A 167 6.971 -10.907 -2.145 1.00 0.00 C ATOM 544 O GLU A 167 7.182 -10.164 -1.188 1.00 0.00 O ATOM 545 CB GLU A 167 4.632 -11.853 -2.150 1.00 0.00 C ATOM 546 CG GLU A 167 3.186 -11.394 -2.349 1.00 0.00 C ATOM 547 CD GLU A 167 2.556 -10.977 -1.017 1.00 0.00 C ATOM 548 OE1 GLU A 167 2.726 -11.742 -0.044 1.00 0.00 O ATOM 549 OE2 GLU A 167 1.918 -9.902 -1.005 1.00 0.00 O ATOM 0 H GLU A 167 5.925 -12.239 -4.426 1.00 0.00 H new ATOM 0 HA GLU A 167 5.195 -9.896 -2.782 1.00 0.00 H new ATOM 0 HB2 GLU A 167 4.755 -12.861 -2.547 1.00 0.00 H new ATOM 0 HB3 GLU A 167 4.859 -11.900 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 167 3.159 -10.557 -3.046 1.00 0.00 H new ATOM 0 HG3 GLU A 167 2.603 -12.200 -2.795 1.00 0.00 H new ATOM 556 N GLN A 168 7.856 -11.753 -2.649 1.00 0.00 N ATOM 557 CA GLN A 168 9.190 -11.864 -2.085 1.00 0.00 C ATOM 558 C GLN A 168 9.942 -10.539 -2.233 1.00 0.00 C ATOM 559 O GLN A 168 10.499 -10.027 -1.264 1.00 0.00 O ATOM 560 CB GLN A 168 9.968 -13.011 -2.735 1.00 0.00 C ATOM 561 CG GLN A 168 9.335 -14.362 -2.398 1.00 0.00 C ATOM 562 CD GLN A 168 10.336 -15.502 -2.597 1.00 0.00 C ATOM 563 OE1 GLN A 168 11.505 -15.401 -2.262 1.00 0.00 O ATOM 564 NE2 GLN A 168 9.816 -16.588 -3.160 1.00 0.00 N ATOM 0 H GLN A 168 7.676 -12.368 -3.442 1.00 0.00 H new ATOM 0 HA GLN A 168 9.095 -12.089 -1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 168 9.989 -12.875 -3.816 1.00 0.00 H new ATOM 0 HB3 GLN A 168 11.002 -12.994 -2.392 1.00 0.00 H new ATOM 0 HG2 GLN A 168 8.986 -14.356 -1.366 1.00 0.00 H new ATOM 0 HG3 GLN A 168 8.462 -14.526 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 168 8.829 -16.607 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 168 10.404 -17.403 -3.336 1.00 0.00 H new ATOM 573 N TRP A 169 9.932 -10.024 -3.453 1.00 0.00 N ATOM 574 CA TRP A 169 10.605 -8.769 -3.740 1.00 0.00 C ATOM 575 C TRP A 169 9.568 -7.794 -4.304 1.00 0.00 C ATOM 576 O TRP A 169 8.593 -8.212 -4.927 1.00 0.00 O ATOM 577 CB TRP A 169 11.794 -8.986 -4.678 1.00 0.00 C ATOM 578 CG TRP A 169 13.077 -9.418 -3.967 1.00 0.00 C ATOM 579 CD1 TRP A 169 13.357 -10.609 -3.420 1.00 0.00 C ATOM 580 CD2 TRP A 169 14.251 -8.608 -3.744 1.00 0.00 C ATOM 581 NE1 TRP A 169 14.620 -10.627 -2.865 1.00 0.00 N ATOM 582 CE2 TRP A 169 15.181 -9.371 -3.068 1.00 0.00 C ATOM 583 CE3 TRP A 169 14.518 -7.276 -4.104 1.00 0.00 C ATOM 584 CZ2 TRP A 169 16.441 -8.889 -2.692 1.00 0.00 C ATOM 585 CZ3 TRP A 169 15.782 -6.809 -3.721 1.00 0.00 C ATOM 586 CH2 TRP A 169 16.729 -7.564 -3.040 1.00 0.00 C ATOM 0 H TRP A 169 9.469 -10.453 -4.254 1.00 0.00 H new ATOM 0 HA TRP A 169 11.027 -8.341 -2.831 1.00 0.00 H new ATOM 0 HB2 TRP A 169 11.528 -9.742 -5.416 1.00 0.00 H new ATOM 0 HB3 TRP A 169 11.987 -8.062 -5.223 1.00 0.00 H new ATOM 0 HD1 TRP A 169 12.679 -11.450 -3.414 1.00 0.00 H new ATOM 0 HE1 TRP A 169 15.061 -11.416 -2.393 1.00 0.00 H new ATOM 0 HE3 TRP A 169 13.805 -6.661 -4.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 169 17.152 -9.506 -2.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 169 16.038 -5.791 -3.973 1.00 0.00 H new ATOM 0 HH2 TRP A 169 17.683 -7.130 -2.780 1.00 0.00 H new ATOM 597 N TRP A 170 9.815 -6.515 -4.067 1.00 0.00 N ATOM 598 CA TRP A 170 8.916 -5.478 -4.544 1.00 0.00 C ATOM 599 C TRP A 170 9.744 -4.458 -5.328 1.00 0.00 C ATOM 600 O TRP A 170 10.880 -4.162 -4.961 1.00 0.00 O ATOM 601 CB TRP A 170 8.138 -4.851 -3.385 1.00 0.00 C ATOM 602 CG TRP A 170 6.825 -5.567 -3.059 1.00 0.00 C ATOM 603 CD1 TRP A 170 6.301 -6.644 -3.660 1.00 0.00 C ATOM 604 CD2 TRP A 170 5.884 -5.209 -2.024 1.00 0.00 C ATOM 605 NE1 TRP A 170 5.097 -7.006 -3.090 1.00 0.00 N ATOM 606 CE2 TRP A 170 4.837 -6.105 -2.064 1.00 0.00 C ATOM 607 CE3 TRP A 170 5.920 -4.163 -1.085 1.00 0.00 C ATOM 608 CZ2 TRP A 170 3.743 -6.046 -1.190 1.00 0.00 C ATOM 609 CZ3 TRP A 170 4.821 -4.118 -0.219 1.00 0.00 C ATOM 610 CH2 TRP A 170 3.757 -5.012 -0.246 1.00 0.00 C ATOM 0 H TRP A 170 10.625 -6.173 -3.551 1.00 0.00 H new ATOM 0 HA TRP A 170 8.161 -5.898 -5.208 1.00 0.00 H new ATOM 0 HB2 TRP A 170 8.769 -4.848 -2.496 1.00 0.00 H new ATOM 0 HB3 TRP A 170 7.922 -3.810 -3.626 1.00 0.00 H new ATOM 0 HD1 TRP A 170 6.763 -7.164 -4.487 1.00 0.00 H new ATOM 0 HE1 TRP A 170 4.507 -7.790 -3.370 1.00 0.00 H new ATOM 0 HE3 TRP A 170 6.731 -3.451 -1.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 170 2.933 -6.759 -1.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 170 4.798 -3.333 0.523 1.00 0.00 H new ATOM 0 HH2 TRP A 170 2.945 -4.910 0.458 1.00 0.00 H new ATOM 621 N ASN A 171 9.142 -3.948 -6.392 1.00 0.00 N ATOM 622 CA ASN A 171 9.810 -2.967 -7.232 1.00 0.00 C ATOM 623 C ASN A 171 9.420 -1.560 -6.772 1.00 0.00 C ATOM 624 O ASN A 171 8.425 -1.006 -7.234 1.00 0.00 O ATOM 625 CB ASN A 171 9.393 -3.119 -8.695 1.00 0.00 C ATOM 626 CG ASN A 171 10.583 -2.902 -9.631 1.00 0.00 C ATOM 627 OD1 ASN A 171 11.609 -2.359 -9.255 1.00 0.00 O ATOM 628 ND2 ASN A 171 10.391 -3.355 -10.867 1.00 0.00 N ATOM 0 H ASN A 171 8.199 -4.195 -6.692 1.00 0.00 H new ATOM 0 HA ASN A 171 10.885 -3.125 -7.146 1.00 0.00 H new ATOM 0 HB2 ASN A 171 8.976 -4.113 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 171 8.607 -2.401 -8.929 1.00 0.00 H new ATOM 0 HD21 ASN A 171 11.127 -3.257 -11.566 1.00 0.00 H new ATOM 0 HD22 ASN A 171 9.507 -3.800 -11.116 1.00 0.00 H new ATOM 635 N ALA A 172 10.227 -1.023 -5.869 1.00 0.00 N ATOM 636 CA ALA A 172 9.979 0.308 -5.343 1.00 0.00 C ATOM 637 C ALA A 172 10.971 1.292 -5.967 1.00 0.00 C ATOM 638 O ALA A 172 11.963 0.882 -6.568 1.00 0.00 O ATOM 639 CB ALA A 172 10.071 0.280 -3.816 1.00 0.00 C ATOM 0 H ALA A 172 11.053 -1.485 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 172 8.974 0.641 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 172 9.885 1.279 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 172 9.327 -0.411 -3.419 1.00 0.00 H new ATOM 0 HB3 ALA A 172 11.067 -0.048 -3.517 1.00 0.00 H new ATOM 645 N GLU A 173 10.669 2.571 -5.803 1.00 0.00 N ATOM 646 CA GLU A 173 11.522 3.617 -6.344 1.00 0.00 C ATOM 647 C GLU A 173 12.263 4.334 -5.214 1.00 0.00 C ATOM 648 O GLU A 173 11.711 4.531 -4.132 1.00 0.00 O ATOM 649 CB GLU A 173 10.711 4.607 -7.184 1.00 0.00 C ATOM 650 CG GLU A 173 10.979 4.407 -8.677 1.00 0.00 C ATOM 651 CD GLU A 173 10.053 5.284 -9.522 1.00 0.00 C ATOM 652 OE1 GLU A 173 8.885 5.443 -9.105 1.00 0.00 O ATOM 653 OE2 GLU A 173 10.534 5.777 -10.565 1.00 0.00 O ATOM 0 H GLU A 173 9.846 2.908 -5.303 1.00 0.00 H new ATOM 0 HA GLU A 173 12.260 3.155 -7.000 1.00 0.00 H new ATOM 0 HB2 GLU A 173 9.648 4.476 -6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 173 10.967 5.627 -6.898 1.00 0.00 H new ATOM 0 HG2 GLU A 173 12.018 4.649 -8.899 1.00 0.00 H new ATOM 0 HG3 GLU A 173 10.833 3.359 -8.939 1.00 0.00 H new ATOM 660 N ASP A 174 13.501 4.706 -5.505 1.00 0.00 N ATOM 661 CA ASP A 174 14.323 5.398 -4.526 1.00 0.00 C ATOM 662 C ASP A 174 13.906 6.869 -4.463 1.00 0.00 C ATOM 663 O ASP A 174 13.195 7.354 -5.343 1.00 0.00 O ATOM 664 CB ASP A 174 15.802 5.343 -4.912 1.00 0.00 C ATOM 665 CG ASP A 174 16.780 5.608 -3.765 1.00 0.00 C ATOM 666 OD1 ASP A 174 16.354 5.430 -2.603 1.00 0.00 O ATOM 667 OD2 ASP A 174 17.932 5.981 -4.077 1.00 0.00 O ATOM 0 H ASP A 174 13.955 4.542 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 174 14.182 4.909 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 174 16.016 4.360 -5.332 1.00 0.00 H new ATOM 0 HB3 ASP A 174 15.984 6.073 -5.700 1.00 0.00 H new ATOM 672 N SER A 175 14.365 7.537 -3.416 1.00 0.00 N ATOM 673 CA SER A 175 14.048 8.942 -3.228 1.00 0.00 C ATOM 674 C SER A 175 14.495 9.748 -4.448 1.00 0.00 C ATOM 675 O SER A 175 14.048 10.877 -4.650 1.00 0.00 O ATOM 676 CB SER A 175 14.706 9.491 -1.960 1.00 0.00 C ATOM 677 OG SER A 175 14.445 10.880 -1.781 1.00 0.00 O ATOM 0 H SER A 175 14.954 7.131 -2.689 1.00 0.00 H new ATOM 0 HA SER A 175 12.968 9.035 -3.115 1.00 0.00 H new ATOM 0 HB2 SER A 175 14.341 8.939 -1.094 1.00 0.00 H new ATOM 0 HB3 SER A 175 15.783 9.328 -2.011 1.00 0.00 H new ATOM 0 HG SER A 175 14.881 11.192 -0.960 1.00 0.00 H new ATOM 683 N GLU A 176 15.373 9.137 -5.232 1.00 0.00 N ATOM 684 CA GLU A 176 15.886 9.784 -6.427 1.00 0.00 C ATOM 685 C GLU A 176 14.934 9.556 -7.603 1.00 0.00 C ATOM 686 O GLU A 176 14.877 10.368 -8.527 1.00 0.00 O ATOM 687 CB GLU A 176 17.294 9.286 -6.758 1.00 0.00 C ATOM 688 CG GLU A 176 18.215 9.399 -5.541 1.00 0.00 C ATOM 689 CD GLU A 176 19.080 10.659 -5.622 1.00 0.00 C ATOM 690 OE1 GLU A 176 19.407 11.051 -6.764 1.00 0.00 O ATOM 691 OE2 GLU A 176 19.395 11.202 -4.541 1.00 0.00 O ATOM 0 H GLU A 176 15.741 8.201 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 176 15.950 10.856 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 176 17.248 8.248 -7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 176 17.704 9.867 -7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 176 17.618 9.422 -4.630 1.00 0.00 H new ATOM 0 HG3 GLU A 176 18.854 8.518 -5.481 1.00 0.00 H new ATOM 698 N GLY A 177 14.210 8.449 -7.533 1.00 0.00 N ATOM 699 CA GLY A 177 13.263 8.104 -8.580 1.00 0.00 C ATOM 700 C GLY A 177 13.776 6.930 -9.417 1.00 0.00 C ATOM 701 O GLY A 177 13.465 6.827 -10.603 1.00 0.00 O ATOM 0 H GLY A 177 14.260 7.778 -6.766 1.00 0.00 H new ATOM 0 HA2 GLY A 177 12.302 7.846 -8.136 1.00 0.00 H new ATOM 0 HA3 GLY A 177 13.095 8.968 -9.223 1.00 0.00 H new ATOM 705 N LYS A 178 14.552 6.076 -8.767 1.00 0.00 N ATOM 706 CA LYS A 178 15.110 4.914 -9.437 1.00 0.00 C ATOM 707 C LYS A 178 14.241 3.690 -9.135 1.00 0.00 C ATOM 708 O LYS A 178 14.037 3.341 -7.973 1.00 0.00 O ATOM 709 CB LYS A 178 16.581 4.732 -9.058 1.00 0.00 C ATOM 710 CG LYS A 178 17.396 5.978 -9.409 1.00 0.00 C ATOM 711 CD LYS A 178 18.383 5.688 -10.541 1.00 0.00 C ATOM 712 CE LYS A 178 17.895 6.285 -11.862 1.00 0.00 C ATOM 713 NZ LYS A 178 17.915 5.263 -12.931 1.00 0.00 N ATOM 0 H LYS A 178 14.808 6.165 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 178 15.098 5.055 -10.518 1.00 0.00 H new ATOM 0 HB2 LYS A 178 16.663 4.529 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 178 16.990 3.867 -9.579 1.00 0.00 H new ATOM 0 HG2 LYS A 178 16.725 6.784 -9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 178 17.938 6.322 -8.528 1.00 0.00 H new ATOM 0 HD2 LYS A 178 19.360 6.101 -10.291 1.00 0.00 H new ATOM 0 HD3 LYS A 178 18.510 4.611 -10.650 1.00 0.00 H new ATOM 0 HE2 LYS A 178 16.884 6.673 -11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 178 18.528 7.127 -12.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 178 17.581 5.685 -13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 178 18.886 4.912 -13.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 178 17.293 4.473 -12.667 1.00 0.00 H new ATOM 727 N ARG A 179 13.755 3.073 -10.201 1.00 0.00 N ATOM 728 CA ARG A 179 12.912 1.896 -10.064 1.00 0.00 C ATOM 729 C ARG A 179 13.774 0.638 -9.945 1.00 0.00 C ATOM 730 O ARG A 179 14.477 0.271 -10.885 1.00 0.00 O ATOM 731 CB ARG A 179 11.971 1.750 -11.262 1.00 0.00 C ATOM 732 CG ARG A 179 11.412 3.108 -11.689 1.00 0.00 C ATOM 733 CD ARG A 179 10.645 2.996 -13.008 1.00 0.00 C ATOM 734 NE ARG A 179 9.866 1.737 -13.033 1.00 0.00 N ATOM 735 CZ ARG A 179 9.814 0.907 -14.085 1.00 0.00 C ATOM 736 NH1 ARG A 179 10.495 1.197 -15.201 1.00 0.00 N ATOM 737 NH2 ARG A 179 9.080 -0.212 -14.018 1.00 0.00 N ATOM 0 H ARG A 179 13.928 3.365 -11.163 1.00 0.00 H new ATOM 0 HA ARG A 179 12.315 2.019 -9.160 1.00 0.00 H new ATOM 0 HB2 ARG A 179 12.506 1.295 -12.096 1.00 0.00 H new ATOM 0 HB3 ARG A 179 11.151 1.080 -11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 179 10.752 3.494 -10.912 1.00 0.00 H new ATOM 0 HG3 ARG A 179 12.228 3.823 -11.798 1.00 0.00 H new ATOM 0 HD2 ARG A 179 9.977 3.849 -13.124 1.00 0.00 H new ATOM 0 HD3 ARG A 179 11.341 3.020 -13.847 1.00 0.00 H new ATOM 0 HE ARG A 179 9.336 1.486 -12.198 1.00 0.00 H new ATOM 0 HH11 ARG A 179 11.053 2.049 -15.251 1.00 0.00 H new ATOM 0 HH12 ARG A 179 10.455 0.566 -16.001 1.00 0.00 H new ATOM 0 HH21 ARG A 179 8.562 -0.432 -13.167 1.00 0.00 H new ATOM 0 HH22 ARG A 179 9.040 -0.844 -14.818 1.00 0.00 H new ATOM 751 N GLY A 180 13.692 0.011 -8.781 1.00 0.00 N ATOM 752 CA GLY A 180 14.456 -1.199 -8.526 1.00 0.00 C ATOM 753 C GLY A 180 13.705 -2.132 -7.575 1.00 0.00 C ATOM 754 O GLY A 180 12.718 -1.732 -6.958 1.00 0.00 O ATOM 0 H GLY A 180 13.108 0.318 -8.003 1.00 0.00 H new ATOM 0 HA2 GLY A 180 14.653 -1.714 -9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 180 15.424 -0.939 -8.097 1.00 0.00 H new ATOM 758 N MET A 181 14.200 -3.357 -7.486 1.00 0.00 N ATOM 759 CA MET A 181 13.587 -4.350 -6.620 1.00 0.00 C ATOM 760 C MET A 181 14.161 -4.272 -5.204 1.00 0.00 C ATOM 761 O MET A 181 15.331 -3.938 -5.021 1.00 0.00 O ATOM 762 CB MET A 181 13.832 -5.748 -7.193 1.00 0.00 C ATOM 763 CG MET A 181 12.525 -6.379 -7.675 1.00 0.00 C ATOM 764 SD MET A 181 12.841 -7.454 -9.065 1.00 0.00 S ATOM 765 CE MET A 181 11.788 -6.695 -10.290 1.00 0.00 C ATOM 0 H MET A 181 15.018 -3.685 -7.999 1.00 0.00 H new ATOM 0 HA MET A 181 12.517 -4.150 -6.570 1.00 0.00 H new ATOM 0 HB2 MET A 181 14.538 -5.687 -8.021 1.00 0.00 H new ATOM 0 HB3 MET A 181 14.287 -6.382 -6.432 1.00 0.00 H new ATOM 0 HG2 MET A 181 12.064 -6.944 -6.865 1.00 0.00 H new ATOM 0 HG3 MET A 181 11.819 -5.599 -7.961 1.00 0.00 H new ATOM 0 HE1 MET A 181 11.865 -7.246 -11.228 1.00 0.00 H new ATOM 0 HE2 MET A 181 10.755 -6.712 -9.943 1.00 0.00 H new ATOM 0 HE3 MET A 181 12.100 -5.663 -10.449 1.00 0.00 H new ATOM 775 N ILE A 182 13.311 -4.586 -4.237 1.00 0.00 N ATOM 776 CA ILE A 182 13.718 -4.554 -2.843 1.00 0.00 C ATOM 777 C ILE A 182 12.941 -5.618 -2.064 1.00 0.00 C ATOM 778 O ILE A 182 11.897 -6.084 -2.518 1.00 0.00 O ATOM 779 CB ILE A 182 13.569 -3.142 -2.272 1.00 0.00 C ATOM 780 CG1 ILE A 182 12.115 -2.672 -2.347 1.00 0.00 C ATOM 781 CG2 ILE A 182 14.524 -2.167 -2.964 1.00 0.00 C ATOM 782 CD1 ILE A 182 11.261 -3.356 -1.278 1.00 0.00 C ATOM 0 H ILE A 182 12.342 -4.864 -4.392 1.00 0.00 H new ATOM 0 HA ILE A 182 14.776 -4.800 -2.750 1.00 0.00 H new ATOM 0 HB ILE A 182 13.845 -3.168 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 182 12.071 -1.591 -2.215 1.00 0.00 H new ATOM 0 HG13 ILE A 182 11.710 -2.889 -3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 182 14.398 -1.171 -2.540 1.00 0.00 H new ATOM 0 HG22 ILE A 182 15.552 -2.497 -2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 182 14.303 -2.137 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 182 10.232 -3.004 -1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 182 11.287 -4.435 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 182 11.654 -3.117 -0.290 1.00 0.00 H new ATOM 794 N PRO A 183 13.493 -5.979 -0.876 1.00 0.00 N ATOM 795 CA PRO A 183 12.863 -6.978 -0.030 1.00 0.00 C ATOM 796 C PRO A 183 11.634 -6.402 0.677 1.00 0.00 C ATOM 797 O PRO A 183 11.599 -5.216 1.001 1.00 0.00 O ATOM 798 CB PRO A 183 13.951 -7.420 0.935 1.00 0.00 C ATOM 799 CG PRO A 183 15.008 -6.327 0.901 1.00 0.00 C ATOM 800 CD PRO A 183 14.729 -5.447 -0.306 1.00 0.00 C ATOM 0 HA PRO A 183 12.482 -7.828 -0.596 1.00 0.00 H new ATOM 0 HB2 PRO A 183 13.552 -7.547 1.942 1.00 0.00 H new ATOM 0 HB3 PRO A 183 14.372 -8.380 0.636 1.00 0.00 H new ATOM 0 HG2 PRO A 183 14.978 -5.738 1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 183 16.005 -6.762 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 183 14.614 -4.403 -0.016 1.00 0.00 H new ATOM 0 HD3 PRO A 183 15.547 -5.490 -1.025 1.00 0.00 H new ATOM 808 N VAL A 184 10.657 -7.269 0.895 1.00 0.00 N ATOM 809 CA VAL A 184 9.429 -6.862 1.558 1.00 0.00 C ATOM 810 C VAL A 184 9.656 -6.836 3.071 1.00 0.00 C ATOM 811 O VAL A 184 9.131 -5.967 3.766 1.00 0.00 O ATOM 812 CB VAL A 184 8.280 -7.781 1.141 1.00 0.00 C ATOM 813 CG1 VAL A 184 7.275 -7.955 2.283 1.00 0.00 C ATOM 814 CG2 VAL A 184 7.590 -7.260 -0.122 1.00 0.00 C ATOM 0 H VAL A 184 10.690 -8.252 0.625 1.00 0.00 H new ATOM 0 HA VAL A 184 9.147 -5.854 1.255 1.00 0.00 H new ATOM 0 HB VAL A 184 8.701 -8.760 0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 184 6.468 -8.613 1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 184 7.777 -8.393 3.146 1.00 0.00 H new ATOM 0 HG13 VAL A 184 6.864 -6.983 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 184 6.777 -7.932 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 184 7.189 -6.264 0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 184 8.312 -7.212 -0.937 1.00 0.00 H new ATOM 824 N PRO A 185 10.459 -7.824 3.549 1.00 0.00 N ATOM 825 CA PRO A 185 10.761 -7.922 4.966 1.00 0.00 C ATOM 826 C PRO A 185 11.770 -6.852 5.388 1.00 0.00 C ATOM 827 O PRO A 185 11.440 -5.950 6.156 1.00 0.00 O ATOM 828 CB PRO A 185 11.282 -9.337 5.160 1.00 0.00 C ATOM 829 CG PRO A 185 11.689 -9.824 3.779 1.00 0.00 C ATOM 830 CD PRO A 185 11.098 -8.869 2.755 1.00 0.00 C ATOM 0 HA PRO A 185 9.889 -7.742 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 185 12.130 -9.351 5.845 1.00 0.00 H new ATOM 0 HB3 PRO A 185 10.515 -9.980 5.591 1.00 0.00 H new ATOM 0 HG2 PRO A 185 12.775 -9.855 3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 185 11.326 -10.838 3.609 1.00 0.00 H new ATOM 0 HD2 PRO A 185 11.870 -8.457 2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 185 10.377 -9.374 2.112 1.00 0.00 H new ATOM 838 N TYR A 186 12.980 -6.986 4.865 1.00 0.00 N ATOM 839 CA TYR A 186 14.039 -6.041 5.178 1.00 0.00 C ATOM 840 C TYR A 186 13.513 -4.604 5.165 1.00 0.00 C ATOM 841 O TYR A 186 14.106 -3.717 5.777 1.00 0.00 O ATOM 842 CB TYR A 186 15.084 -6.198 4.071 1.00 0.00 C ATOM 843 CG TYR A 186 16.344 -6.948 4.508 1.00 0.00 C ATOM 844 CD1 TYR A 186 16.235 -8.172 5.136 1.00 0.00 C ATOM 845 CD2 TYR A 186 17.589 -6.402 4.273 1.00 0.00 C ATOM 846 CE1 TYR A 186 17.422 -8.879 5.547 1.00 0.00 C ATOM 847 CE2 TYR A 186 18.775 -7.107 4.684 1.00 0.00 C ATOM 848 CZ TYR A 186 18.633 -8.311 5.300 1.00 0.00 C ATOM 849 OH TYR A 186 19.752 -8.978 5.688 1.00 0.00 O ATOM 0 H TYR A 186 13.251 -7.734 4.227 1.00 0.00 H new ATOM 0 HA TYR A 186 14.447 -6.236 6.170 1.00 0.00 H new ATOM 0 HB2 TYR A 186 14.632 -6.726 3.231 1.00 0.00 H new ATOM 0 HB3 TYR A 186 15.368 -5.209 3.711 1.00 0.00 H new ATOM 0 HD1 TYR A 186 15.261 -8.600 5.319 1.00 0.00 H new ATOM 0 HD2 TYR A 186 17.674 -5.445 3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 186 17.351 -9.838 6.040 1.00 0.00 H new ATOM 0 HE2 TYR A 186 19.755 -6.689 4.507 1.00 0.00 H new ATOM 0 HH TYR A 186 19.808 -8.982 6.666 1.00 0.00 H new ATOM 859 N VAL A 187 12.406 -4.419 4.462 1.00 0.00 N ATOM 860 CA VAL A 187 11.793 -3.106 4.362 1.00 0.00 C ATOM 861 C VAL A 187 10.441 -3.123 5.078 1.00 0.00 C ATOM 862 O VAL A 187 9.968 -4.179 5.495 1.00 0.00 O ATOM 863 CB VAL A 187 11.687 -2.689 2.893 1.00 0.00 C ATOM 864 CG1 VAL A 187 12.965 -3.038 2.130 1.00 0.00 C ATOM 865 CG2 VAL A 187 10.461 -3.321 2.231 1.00 0.00 C ATOM 0 H VAL A 187 11.917 -5.157 3.956 1.00 0.00 H new ATOM 0 HA VAL A 187 12.412 -2.357 4.855 1.00 0.00 H new ATOM 0 HB VAL A 187 11.564 -1.606 2.860 1.00 0.00 H new ATOM 0 HG11 VAL A 187 12.863 -2.731 1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 187 13.811 -2.518 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 187 13.134 -4.114 2.176 1.00 0.00 H new ATOM 0 HG21 VAL A 187 10.409 -3.009 1.188 1.00 0.00 H new ATOM 0 HG22 VAL A 187 10.540 -4.407 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 187 9.559 -2.998 2.752 1.00 0.00 H new ATOM 875 N GLU A 188 9.858 -1.939 5.200 1.00 0.00 N ATOM 876 CA GLU A 188 8.569 -1.804 5.859 1.00 0.00 C ATOM 877 C GLU A 188 7.720 -0.747 5.150 1.00 0.00 C ATOM 878 O GLU A 188 8.045 -0.323 4.043 1.00 0.00 O ATOM 879 CB GLU A 188 8.743 -1.466 7.340 1.00 0.00 C ATOM 880 CG GLU A 188 9.476 -2.589 8.076 1.00 0.00 C ATOM 881 CD GLU A 188 8.485 -3.568 8.709 1.00 0.00 C ATOM 882 OE1 GLU A 188 7.503 -3.909 8.015 1.00 0.00 O ATOM 883 OE2 GLU A 188 8.731 -3.953 9.872 1.00 0.00 O ATOM 0 H GLU A 188 10.254 -1.065 4.854 1.00 0.00 H new ATOM 0 HA GLU A 188 8.049 -2.760 5.798 1.00 0.00 H new ATOM 0 HB2 GLU A 188 9.301 -0.535 7.441 1.00 0.00 H new ATOM 0 HB3 GLU A 188 7.767 -1.304 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 188 10.125 -3.121 7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 188 10.117 -2.164 8.849 1.00 0.00 H new ATOM 890 N LYS A 189 6.646 -0.351 5.820 1.00 0.00 N ATOM 891 CA LYS A 189 5.748 0.649 5.270 1.00 0.00 C ATOM 892 C LYS A 189 5.980 1.984 5.980 1.00 0.00 C ATOM 893 O LYS A 189 6.348 2.011 7.152 1.00 0.00 O ATOM 894 CB LYS A 189 4.298 0.161 5.335 1.00 0.00 C ATOM 895 CG LYS A 189 3.554 0.475 4.036 1.00 0.00 C ATOM 896 CD LYS A 189 3.696 -0.671 3.033 1.00 0.00 C ATOM 897 CE LYS A 189 3.283 -0.225 1.628 1.00 0.00 C ATOM 898 NZ LYS A 189 4.082 -0.934 0.604 1.00 0.00 N ATOM 0 H LYS A 189 6.379 -0.705 6.738 1.00 0.00 H new ATOM 0 HA LYS A 189 5.959 0.810 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 189 4.280 -0.913 5.518 1.00 0.00 H new ATOM 0 HB3 LYS A 189 3.788 0.635 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 189 2.499 0.648 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 189 3.946 1.394 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 189 4.728 -1.021 3.019 1.00 0.00 H new ATOM 0 HD3 LYS A 189 3.079 -1.513 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 189 2.223 -0.425 1.473 1.00 0.00 H new ATOM 0 HE3 LYS A 189 3.422 0.851 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 4.517 -0.241 -0.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 4.828 -1.490 1.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 3.464 -1.570 0.060 1.00 0.00 H new