USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 744 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 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -5.48! C(o=-5.5!,f=-5.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 168:sc= 0.455 USER MOD Single : A 87 ASN : amide:sc=-0.000233 K(o=-0.00023,f=-0.82) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 176:sc= 1.23 USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 TYR OH : rot 180:sc= -0.064 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 124 MET CE :methyl -160:sc= -0.127 (180deg=-0.606) USER MOD Single : A 138 MET CE :methyl -141:sc= -4.68! (180deg=-8.95!) USER MOD Single : A 141 LYS NZ :NH3+ 175:sc= 0.0719 (180deg=0.00482) USER MOD Single : A 144 GLN : amide:sc= -1.65 K(o=-1.7,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 -2.313 7.699 11.702 1.00 52.00 N ATOM 57 CA VAL A 5 -2.389 6.390 11.088 1.00 64.51 C ATOM 58 C VAL A 5 -3.181 6.492 9.790 1.00 1.53 C ATOM 59 O VAL A 5 -4.343 6.908 9.779 1.00 53.10 O ATOM 60 CB VAL A 5 -3.012 5.329 12.036 1.00 12.25 C ATOM 61 CG1 VAL A 5 -4.401 5.740 12.505 1.00 60.13 C ATOM 62 CG2 VAL A 5 -3.052 3.965 11.359 1.00 51.13 C ATOM 0 HA VAL A 5 -1.374 6.054 10.875 1.00 64.51 H new ATOM 0 HB VAL A 5 -2.377 5.261 12.919 1.00 12.25 H new ATOM 0 HG11 VAL A 5 -4.804 4.973 13.166 1.00 60.13 H new ATOM 0 HG12 VAL A 5 -4.338 6.686 13.043 1.00 60.13 H new ATOM 0 HG13 VAL A 5 -5.057 5.856 11.642 1.00 60.13 H new ATOM 0 HG21 VAL A 5 -3.492 3.234 12.038 1.00 51.13 H new ATOM 0 HG22 VAL A 5 -3.654 4.026 10.453 1.00 51.13 H new ATOM 0 HG23 VAL A 5 -2.039 3.657 11.101 1.00 51.13 H new ATOM 72 N VAL A 6 -2.536 6.158 8.692 1.00 21.32 N ATOM 73 CA VAL A 6 -3.169 6.262 7.396 1.00 43.10 C ATOM 74 C VAL A 6 -3.642 4.906 6.916 1.00 55.24 C ATOM 75 O VAL A 6 -2.847 3.988 6.706 1.00 71.21 O ATOM 76 CB VAL A 6 -2.231 6.886 6.345 1.00 14.31 C ATOM 77 CG1 VAL A 6 -2.856 6.834 4.956 1.00 12.31 C ATOM 78 CG2 VAL A 6 -1.901 8.321 6.726 1.00 61.02 C ATOM 0 H VAL A 6 -1.576 5.813 8.672 1.00 21.32 H new ATOM 0 HA VAL A 6 -4.029 6.921 7.517 1.00 43.10 H new ATOM 0 HB VAL A 6 -1.309 6.306 6.321 1.00 14.31 H new ATOM 0 HG11 VAL A 6 -2.174 7.281 4.233 1.00 12.31 H new ATOM 0 HG12 VAL A 6 -3.047 5.797 4.682 1.00 12.31 H new ATOM 0 HG13 VAL A 6 -3.795 7.387 4.959 1.00 12.31 H new ATOM 0 HG21 VAL A 6 -1.238 8.753 5.977 1.00 61.02 H new ATOM 0 HG22 VAL A 6 -2.820 8.905 6.776 1.00 61.02 H new ATOM 0 HG23 VAL A 6 -1.408 8.335 7.698 1.00 61.02 H new ATOM 88 N ARG A 7 -4.945 4.794 6.762 1.00 52.22 N ATOM 89 CA ARG A 7 -5.552 3.592 6.240 1.00 31.30 C ATOM 90 C ARG A 7 -6.546 3.980 5.160 1.00 71.12 C ATOM 91 O ARG A 7 -7.582 4.583 5.445 1.00 75.41 O ATOM 92 CB ARG A 7 -6.235 2.805 7.376 1.00 24.11 C ATOM 93 CG ARG A 7 -6.824 1.455 6.966 1.00 1.23 C ATOM 94 CD ARG A 7 -8.195 1.599 6.322 1.00 23.32 C ATOM 95 NE ARG A 7 -8.826 0.306 6.059 1.00 44.34 N ATOM 96 CZ ARG A 7 -10.027 0.168 5.499 1.00 44.04 C ATOM 97 NH1 ARG A 7 -10.732 1.236 5.155 1.00 11.25 N ATOM 98 NH2 ARG A 7 -10.530 -1.041 5.295 1.00 14.51 N ATOM 0 H ARG A 7 -5.609 5.532 6.995 1.00 52.22 H new ATOM 0 HA ARG A 7 -4.791 2.944 5.805 1.00 31.30 H new ATOM 0 HB2 ARG A 7 -5.508 2.640 8.171 1.00 24.11 H new ATOM 0 HB3 ARG A 7 -7.032 3.420 7.795 1.00 24.11 H new ATOM 0 HG2 ARG A 7 -6.147 0.962 6.269 1.00 1.23 H new ATOM 0 HG3 ARG A 7 -6.902 0.813 7.843 1.00 1.23 H new ATOM 0 HD2 ARG A 7 -8.839 2.189 6.974 1.00 23.32 H new ATOM 0 HD3 ARG A 7 -8.098 2.150 5.386 1.00 23.32 H new ATOM 0 HE ARG A 7 -8.317 -0.539 6.319 1.00 44.34 H new ATOM 0 HH11 ARG A 7 -10.356 2.170 5.319 1.00 11.25 H new ATOM 0 HH12 ARG A 7 -11.651 1.124 4.727 1.00 11.25 H new ATOM 0 HH21 ARG A 7 -9.998 -1.867 5.567 1.00 14.51 H new ATOM 0 HH22 ARG A 7 -11.450 -1.145 4.866 1.00 14.51 H new ATOM 112 N ASP A 8 -6.212 3.668 3.924 1.00 23.32 N ATOM 113 CA ASP A 8 -7.113 3.885 2.816 1.00 0.31 C ATOM 114 C ASP A 8 -6.972 2.713 1.867 1.00 50.00 C ATOM 115 O ASP A 8 -5.887 2.144 1.740 1.00 52.44 O ATOM 116 CB ASP A 8 -6.795 5.206 2.108 1.00 22.20 C ATOM 117 CG ASP A 8 -8.029 5.850 1.513 1.00 1.23 C ATOM 118 OD1 ASP A 8 -8.705 6.613 2.231 1.00 33.40 O ATOM 119 OD2 ASP A 8 -8.344 5.592 0.338 1.00 2.24 O ATOM 0 H ASP A 8 -5.314 3.260 3.663 1.00 23.32 H new ATOM 0 HA ASP A 8 -8.140 3.954 3.173 1.00 0.31 H new ATOM 0 HB2 ASP A 8 -6.335 5.894 2.817 1.00 22.20 H new ATOM 0 HB3 ASP A 8 -6.065 5.026 1.319 1.00 22.20 H new ATOM 124 N ALA A 9 -8.056 2.330 1.226 1.00 15.30 N ATOM 125 CA ALA A 9 -8.053 1.131 0.414 1.00 50.40 C ATOM 126 C ALA A 9 -8.456 1.442 -1.016 1.00 23.41 C ATOM 127 O ALA A 9 -9.355 2.249 -1.264 1.00 62.34 O ATOM 128 CB ALA A 9 -8.964 0.079 1.021 1.00 30.12 C ATOM 0 H ALA A 9 -8.946 2.828 1.251 1.00 15.30 H new ATOM 0 HA ALA A 9 -7.038 0.733 0.392 1.00 50.40 H new ATOM 0 HB1 ALA A 9 -8.951 -0.816 0.399 1.00 30.12 H new ATOM 0 HB2 ALA A 9 -8.615 -0.170 2.023 1.00 30.12 H new ATOM 0 HB3 ALA A 9 -9.981 0.467 1.077 1.00 30.12 H new ATOM 134 N VAL A 10 -7.781 0.797 -1.949 1.00 15.03 N ATOM 135 CA VAL A 10 -7.995 1.044 -3.362 1.00 53.42 C ATOM 136 C VAL A 10 -8.110 -0.271 -4.121 1.00 3.01 C ATOM 137 O VAL A 10 -7.418 -1.244 -3.814 1.00 72.42 O ATOM 138 CB VAL A 10 -6.857 1.899 -3.959 1.00 74.52 C ATOM 139 CG1 VAL A 10 -7.051 3.373 -3.632 1.00 34.23 C ATOM 140 CG2 VAL A 10 -5.517 1.421 -3.429 1.00 43.13 C ATOM 0 H VAL A 10 -7.073 0.091 -1.750 1.00 15.03 H new ATOM 0 HA VAL A 10 -8.928 1.598 -3.465 1.00 53.42 H new ATOM 0 HB VAL A 10 -6.877 1.786 -5.043 1.00 74.52 H new ATOM 0 HG11 VAL A 10 -6.235 3.952 -4.065 1.00 34.23 H new ATOM 0 HG12 VAL A 10 -7.999 3.716 -4.046 1.00 34.23 H new ATOM 0 HG13 VAL A 10 -7.058 3.508 -2.550 1.00 34.23 H new ATOM 0 HG21 VAL A 10 -4.719 2.029 -3.855 1.00 43.13 H new ATOM 0 HG22 VAL A 10 -5.502 1.512 -2.343 1.00 43.13 H new ATOM 0 HG23 VAL A 10 -5.366 0.378 -3.708 1.00 43.13 H new ATOM 150 N THR A 11 -8.992 -0.297 -5.101 1.00 3.21 N ATOM 151 CA THR A 11 -9.279 -1.504 -5.839 1.00 64.12 C ATOM 152 C THR A 11 -8.435 -1.589 -7.099 1.00 65.55 C ATOM 153 O THR A 11 -8.301 -0.612 -7.840 1.00 72.13 O ATOM 154 CB THR A 11 -10.764 -1.555 -6.228 1.00 12.23 C ATOM 155 OG1 THR A 11 -11.583 -1.360 -5.066 1.00 64.13 O ATOM 156 CG2 THR A 11 -11.110 -2.880 -6.889 1.00 40.20 C ATOM 0 H THR A 11 -9.526 0.517 -5.405 1.00 3.21 H new ATOM 0 HA THR A 11 -9.039 -2.348 -5.193 1.00 64.12 H new ATOM 0 HB THR A 11 -10.956 -0.755 -6.943 1.00 12.23 H new ATOM 0 HG1 THR A 11 -12.528 -1.392 -5.323 1.00 64.13 H new ATOM 0 HG21 THR A 11 -12.167 -2.889 -7.154 1.00 40.20 H new ATOM 0 HG22 THR A 11 -10.509 -3.005 -7.790 1.00 40.20 H new ATOM 0 HG23 THR A 11 -10.902 -3.697 -6.198 1.00 40.20 H new ATOM 164 N ILE A 12 -7.857 -2.752 -7.321 1.00 53.45 N ATOM 165 CA ILE A 12 -7.146 -3.031 -8.554 1.00 62.02 C ATOM 166 C ILE A 12 -7.768 -4.236 -9.251 1.00 33.10 C ATOM 167 O ILE A 12 -8.145 -5.215 -8.604 1.00 12.33 O ATOM 168 CB ILE A 12 -5.650 -3.310 -8.310 1.00 63.14 C ATOM 169 CG1 ILE A 12 -5.029 -2.214 -7.445 1.00 72.12 C ATOM 170 CG2 ILE A 12 -4.912 -3.413 -9.637 1.00 54.24 C ATOM 171 CD1 ILE A 12 -3.563 -2.440 -7.143 1.00 24.04 C ATOM 0 H ILE A 12 -7.866 -3.526 -6.657 1.00 53.45 H new ATOM 0 HA ILE A 12 -7.229 -2.144 -9.182 1.00 62.02 H new ATOM 0 HB ILE A 12 -5.559 -4.258 -7.780 1.00 63.14 H new ATOM 0 HG12 ILE A 12 -5.144 -1.255 -7.950 1.00 72.12 H new ATOM 0 HG13 ILE A 12 -5.579 -2.148 -6.506 1.00 72.12 H new ATOM 0 HG21 ILE A 12 -3.856 -3.610 -9.452 1.00 54.24 H new ATOM 0 HG22 ILE A 12 -5.335 -4.226 -10.226 1.00 54.24 H new ATOM 0 HG23 ILE A 12 -5.015 -2.476 -10.185 1.00 54.24 H new ATOM 0 HD11 ILE A 12 -3.189 -1.624 -6.525 1.00 24.04 H new ATOM 0 HD12 ILE A 12 -3.443 -3.383 -6.610 1.00 24.04 H new ATOM 0 HD13 ILE A 12 -3.001 -2.476 -8.076 1.00 24.04 H new ATOM 183 N GLY A 13 -7.868 -4.160 -10.565 1.00 11.24 N ATOM 184 CA GLY A 13 -8.450 -5.241 -11.332 1.00 52.05 C ATOM 185 C GLY A 13 -7.453 -6.344 -11.632 1.00 74.43 C ATOM 186 O GLY A 13 -7.134 -6.595 -12.794 1.00 61.01 O ATOM 0 H GLY A 13 -7.555 -3.364 -11.120 1.00 11.24 H new ATOM 0 HA2 GLY A 13 -9.294 -5.658 -10.783 1.00 52.05 H new ATOM 0 HA3 GLY A 13 -8.843 -4.847 -12.269 1.00 52.05 H new ATOM 190 N LYS A 14 -6.945 -6.982 -10.581 1.00 22.03 N ATOM 191 CA LYS A 14 -6.040 -8.122 -10.706 1.00 23.20 C ATOM 192 C LYS A 14 -6.320 -9.111 -9.577 1.00 54.04 C ATOM 193 O LYS A 14 -6.652 -8.697 -8.468 1.00 73.33 O ATOM 194 CB LYS A 14 -4.574 -7.670 -10.649 1.00 20.44 C ATOM 195 CG LYS A 14 -4.118 -6.824 -11.833 1.00 32.35 C ATOM 196 CD LYS A 14 -3.654 -7.668 -13.019 1.00 65.10 C ATOM 197 CE LYS A 14 -4.792 -8.432 -13.681 1.00 10.41 C ATOM 198 NZ LYS A 14 -4.349 -9.129 -14.919 1.00 32.15 N ATOM 0 H LYS A 14 -7.150 -6.723 -9.616 1.00 22.03 H new ATOM 0 HA LYS A 14 -6.210 -8.600 -11.671 1.00 23.20 H new ATOM 0 HB2 LYS A 14 -4.420 -7.100 -9.733 1.00 20.44 H new ATOM 0 HB3 LYS A 14 -3.939 -8.553 -10.586 1.00 20.44 H new ATOM 0 HG2 LYS A 14 -4.938 -6.179 -12.150 1.00 32.35 H new ATOM 0 HG3 LYS A 14 -3.304 -6.172 -11.516 1.00 32.35 H new ATOM 0 HD2 LYS A 14 -3.180 -7.020 -13.757 1.00 65.10 H new ATOM 0 HD3 LYS A 14 -2.896 -8.375 -12.682 1.00 65.10 H new ATOM 0 HE2 LYS A 14 -5.196 -9.161 -12.979 1.00 10.41 H new ATOM 0 HE3 LYS A 14 -5.600 -7.741 -13.923 1.00 10.41 H new ATOM 0 HZ1 LYS A 14 -5.154 -9.637 -15.338 1.00 32.15 H new ATOM 0 HZ2 LYS A 14 -3.987 -8.431 -15.600 1.00 32.15 H new ATOM 0 HZ3 LYS A 14 -3.596 -9.807 -14.685 1.00 32.15 H new ATOM 212 N PRO A 15 -6.194 -10.422 -9.849 1.00 44.50 N ATOM 213 CA PRO A 15 -6.509 -11.483 -8.876 1.00 3.33 C ATOM 214 C PRO A 15 -5.823 -11.306 -7.521 1.00 61.40 C ATOM 215 O PRO A 15 -6.498 -11.272 -6.498 1.00 14.13 O ATOM 216 CB PRO A 15 -6.011 -12.750 -9.567 1.00 72.52 C ATOM 217 CG PRO A 15 -6.113 -12.439 -11.016 1.00 10.20 C ATOM 218 CD PRO A 15 -5.766 -10.983 -11.142 1.00 22.01 C ATOM 0 HA PRO A 15 -7.571 -11.489 -8.632 1.00 3.33 H new ATOM 0 HB2 PRO A 15 -4.985 -12.983 -9.281 1.00 72.52 H new ATOM 0 HB3 PRO A 15 -6.620 -13.614 -9.301 1.00 72.52 H new ATOM 0 HG2 PRO A 15 -5.429 -13.057 -11.599 1.00 10.20 H new ATOM 0 HG3 PRO A 15 -7.118 -12.636 -11.389 1.00 10.20 H new ATOM 0 HD2 PRO A 15 -4.699 -10.836 -11.311 1.00 22.01 H new ATOM 0 HD3 PRO A 15 -6.288 -10.515 -11.977 1.00 22.01 H new ATOM 226 N ALA A 16 -4.491 -11.207 -7.516 1.00 24.51 N ATOM 227 CA ALA A 16 -3.724 -10.978 -6.281 1.00 31.11 C ATOM 228 C ALA A 16 -2.233 -11.043 -6.552 1.00 42.33 C ATOM 229 O ALA A 16 -1.523 -10.055 -6.389 1.00 65.53 O ATOM 230 CB ALA A 16 -4.079 -11.991 -5.195 1.00 74.31 C ATOM 0 H ALA A 16 -3.916 -11.282 -8.355 1.00 24.51 H new ATOM 0 HA ALA A 16 -3.989 -9.982 -5.927 1.00 31.11 H new ATOM 0 HB1 ALA A 16 -3.491 -11.787 -4.300 1.00 74.31 H new ATOM 0 HB2 ALA A 16 -5.140 -11.913 -4.957 1.00 74.31 H new ATOM 0 HB3 ALA A 16 -3.860 -12.998 -5.551 1.00 74.31 H new ATOM 236 N GLU A 17 -1.778 -12.218 -6.978 1.00 13.01 N ATOM 237 CA GLU A 17 -0.360 -12.481 -7.216 1.00 65.34 C ATOM 238 C GLU A 17 0.270 -11.397 -8.092 1.00 52.34 C ATOM 239 O GLU A 17 1.370 -10.917 -7.822 1.00 73.04 O ATOM 240 CB GLU A 17 -0.211 -13.843 -7.892 1.00 65.51 C ATOM 241 CG GLU A 17 1.226 -14.276 -8.122 1.00 71.13 C ATOM 242 CD GLU A 17 1.942 -14.633 -6.838 1.00 14.23 C ATOM 243 OE1 GLU A 17 1.719 -15.752 -6.327 1.00 60.22 O ATOM 244 OE2 GLU A 17 2.728 -13.807 -6.342 1.00 20.43 O ATOM 0 H GLU A 17 -2.383 -13.017 -7.169 1.00 13.01 H new ATOM 0 HA GLU A 17 0.158 -12.478 -6.257 1.00 65.34 H new ATOM 0 HB2 GLU A 17 -0.711 -14.595 -7.281 1.00 65.51 H new ATOM 0 HB3 GLU A 17 -0.728 -13.817 -8.851 1.00 65.51 H new ATOM 0 HG2 GLU A 17 1.239 -15.136 -8.791 1.00 71.13 H new ATOM 0 HG3 GLU A 17 1.767 -13.474 -8.624 1.00 71.13 H new ATOM 251 N GLN A 18 -0.458 -10.998 -9.128 1.00 35.50 N ATOM 252 CA GLN A 18 0.032 -10.017 -10.090 1.00 12.22 C ATOM 253 C GLN A 18 0.321 -8.669 -9.431 1.00 11.51 C ATOM 254 O GLN A 18 1.121 -7.885 -9.938 1.00 50.50 O ATOM 255 CB GLN A 18 -0.982 -9.817 -11.222 1.00 40.24 C ATOM 256 CG GLN A 18 -1.131 -10.999 -12.177 1.00 62.02 C ATOM 257 CD GLN A 18 -1.773 -12.217 -11.540 1.00 62.41 C ATOM 258 OE1 GLN A 18 -2.992 -12.333 -11.495 1.00 24.04 O ATOM 259 NE2 GLN A 18 -0.961 -13.149 -11.072 1.00 5.11 N ATOM 0 H GLN A 18 -1.398 -11.342 -9.325 1.00 35.50 H new ATOM 0 HA GLN A 18 0.964 -10.409 -10.496 1.00 12.22 H new ATOM 0 HB2 GLN A 18 -1.956 -9.601 -10.782 1.00 40.24 H new ATOM 0 HB3 GLN A 18 -0.691 -8.939 -11.799 1.00 40.24 H new ATOM 0 HG2 GLN A 18 -1.729 -10.690 -13.034 1.00 62.02 H new ATOM 0 HG3 GLN A 18 -0.147 -11.274 -12.557 1.00 62.02 H new ATOM 0 HE21 GLN A 18 0.049 -13.019 -11.126 1.00 5.11 H new ATOM 0 HE22 GLN A 18 -1.345 -13.998 -10.657 1.00 5.11 H new ATOM 268 N LEU A 19 -0.323 -8.409 -8.299 1.00 34.21 N ATOM 269 CA LEU A 19 -0.190 -7.129 -7.624 1.00 61.41 C ATOM 270 C LEU A 19 1.118 -7.026 -6.852 1.00 42.43 C ATOM 271 O LEU A 19 1.702 -5.952 -6.767 1.00 3.24 O ATOM 272 CB LEU A 19 -1.380 -6.908 -6.700 1.00 32.12 C ATOM 273 CG LEU A 19 -2.706 -6.731 -7.429 1.00 40.34 C ATOM 274 CD1 LEU A 19 -3.812 -6.400 -6.449 1.00 55.44 C ATOM 275 CD2 LEU A 19 -2.581 -5.646 -8.484 1.00 45.00 C ATOM 0 H LEU A 19 -0.943 -9.070 -7.831 1.00 34.21 H new ATOM 0 HA LEU A 19 -0.174 -6.348 -8.384 1.00 61.41 H new ATOM 0 HB2 LEU A 19 -1.461 -7.756 -6.020 1.00 32.12 H new ATOM 0 HB3 LEU A 19 -1.193 -6.026 -6.088 1.00 32.12 H new ATOM 0 HG LEU A 19 -2.961 -7.668 -7.923 1.00 40.34 H new ATOM 0 HD11 LEU A 19 -4.751 -6.277 -6.988 1.00 55.44 H new ATOM 0 HD12 LEU A 19 -3.912 -7.210 -5.726 1.00 55.44 H new ATOM 0 HD13 LEU A 19 -3.570 -5.475 -5.926 1.00 55.44 H new ATOM 0 HD21 LEU A 19 -3.534 -5.528 -8.999 1.00 45.00 H new ATOM 0 HD22 LEU A 19 -2.307 -4.705 -8.007 1.00 45.00 H new ATOM 0 HD23 LEU A 19 -1.812 -5.926 -9.204 1.00 45.00 H new ATOM 287 N TYR A 20 1.579 -8.137 -6.297 1.00 63.45 N ATOM 288 CA TYR A 20 2.852 -8.148 -5.584 1.00 3.43 C ATOM 289 C TYR A 20 3.998 -8.024 -6.588 1.00 53.42 C ATOM 290 O TYR A 20 5.064 -7.487 -6.288 1.00 14.34 O ATOM 291 CB TYR A 20 2.986 -9.432 -4.755 1.00 12.20 C ATOM 292 CG TYR A 20 4.125 -9.408 -3.758 1.00 14.33 C ATOM 293 CD1 TYR A 20 4.249 -8.371 -2.841 1.00 54.43 C ATOM 294 CD2 TYR A 20 5.072 -10.425 -3.729 1.00 41.20 C ATOM 295 CE1 TYR A 20 5.282 -8.348 -1.925 1.00 31.04 C ATOM 296 CE2 TYR A 20 6.108 -10.411 -2.813 1.00 22.22 C ATOM 297 CZ TYR A 20 6.208 -9.370 -1.912 1.00 10.53 C ATOM 298 OH TYR A 20 7.241 -9.345 -0.999 1.00 15.13 O ATOM 0 H TYR A 20 1.098 -9.036 -6.325 1.00 63.45 H new ATOM 0 HA TYR A 20 2.892 -7.301 -4.899 1.00 3.43 H new ATOM 0 HB2 TYR A 20 2.052 -9.605 -4.220 1.00 12.20 H new ATOM 0 HB3 TYR A 20 3.127 -10.275 -5.431 1.00 12.20 H new ATOM 0 HD1 TYR A 20 3.525 -7.570 -2.845 1.00 54.43 H new ATOM 0 HD2 TYR A 20 4.998 -11.240 -4.434 1.00 41.20 H new ATOM 0 HE1 TYR A 20 5.365 -7.533 -1.221 1.00 31.04 H new ATOM 0 HE2 TYR A 20 6.835 -11.210 -2.803 1.00 22.22 H new ATOM 0 HH TYR A 20 7.805 -10.137 -1.121 1.00 15.13 H new ATOM 308 N ALA A 21 3.736 -8.504 -7.797 1.00 1.13 N ATOM 309 CA ALA A 21 4.697 -8.479 -8.892 1.00 4.11 C ATOM 310 C ALA A 21 4.834 -7.091 -9.514 1.00 45.53 C ATOM 311 O ALA A 21 5.630 -6.892 -10.440 1.00 65.52 O ATOM 312 CB ALA A 21 4.271 -9.470 -9.950 1.00 73.43 C ATOM 0 H ALA A 21 2.842 -8.926 -8.047 1.00 1.13 H new ATOM 0 HA ALA A 21 5.671 -8.749 -8.485 1.00 4.11 H new ATOM 0 HB1 ALA A 21 4.987 -9.455 -10.772 1.00 73.43 H new ATOM 0 HB2 ALA A 21 4.235 -10.470 -9.518 1.00 73.43 H new ATOM 0 HB3 ALA A 21 3.283 -9.201 -10.324 1.00 73.43 H new ATOM 318 N VAL A 22 4.039 -6.148 -9.019 1.00 22.13 N ATOM 319 CA VAL A 22 3.954 -4.799 -9.587 1.00 32.54 C ATOM 320 C VAL A 22 5.327 -4.116 -9.726 1.00 43.32 C ATOM 321 O VAL A 22 5.493 -3.214 -10.543 1.00 24.12 O ATOM 322 CB VAL A 22 3.020 -3.887 -8.748 1.00 10.05 C ATOM 323 CG1 VAL A 22 3.610 -3.611 -7.375 1.00 63.22 C ATOM 324 CG2 VAL A 22 2.752 -2.590 -9.486 1.00 53.34 C ATOM 0 H VAL A 22 3.433 -6.294 -8.212 1.00 22.13 H new ATOM 0 HA VAL A 22 3.539 -4.932 -10.586 1.00 32.54 H new ATOM 0 HB VAL A 22 2.074 -4.409 -8.604 1.00 10.05 H new ATOM 0 HG11 VAL A 22 2.933 -2.970 -6.810 1.00 63.22 H new ATOM 0 HG12 VAL A 22 3.747 -4.552 -6.842 1.00 63.22 H new ATOM 0 HG13 VAL A 22 4.573 -3.113 -7.486 1.00 63.22 H new ATOM 0 HG21 VAL A 22 2.096 -1.959 -8.887 1.00 53.34 H new ATOM 0 HG22 VAL A 22 3.694 -2.070 -9.662 1.00 53.34 H new ATOM 0 HG23 VAL A 22 2.274 -2.807 -10.441 1.00 53.34 H new ATOM 334 N TRP A 23 6.309 -4.560 -8.945 1.00 74.34 N ATOM 335 CA TRP A 23 7.630 -3.926 -8.934 1.00 65.14 C ATOM 336 C TRP A 23 8.346 -4.026 -10.287 1.00 65.31 C ATOM 337 O TRP A 23 9.348 -3.348 -10.517 1.00 61.13 O ATOM 338 CB TRP A 23 8.505 -4.539 -7.842 1.00 41.33 C ATOM 339 CG TRP A 23 7.998 -4.278 -6.460 1.00 2.02 C ATOM 340 CD1 TRP A 23 7.389 -3.139 -6.011 1.00 53.25 C ATOM 341 CD2 TRP A 23 8.071 -5.163 -5.339 1.00 11.34 C ATOM 342 NE1 TRP A 23 7.075 -3.267 -4.682 1.00 43.14 N ATOM 343 CE2 TRP A 23 7.481 -4.501 -4.247 1.00 0.10 C ATOM 344 CE3 TRP A 23 8.574 -6.454 -5.156 1.00 61.54 C ATOM 345 CZ2 TRP A 23 7.383 -5.086 -2.989 1.00 64.22 C ATOM 346 CZ3 TRP A 23 8.476 -7.032 -3.907 1.00 42.34 C ATOM 347 CH2 TRP A 23 7.885 -6.348 -2.838 1.00 64.44 C ATOM 0 H TRP A 23 6.218 -5.355 -8.312 1.00 74.34 H new ATOM 0 HA TRP A 23 7.468 -2.868 -8.728 1.00 65.14 H new ATOM 0 HB2 TRP A 23 8.570 -5.616 -8.000 1.00 41.33 H new ATOM 0 HB3 TRP A 23 9.516 -4.142 -7.931 1.00 41.33 H new ATOM 0 HD1 TRP A 23 7.185 -2.267 -6.614 1.00 53.25 H new ATOM 0 HE1 TRP A 23 6.614 -2.559 -4.111 1.00 43.14 H new ATOM 0 HE3 TRP A 23 9.030 -6.989 -5.976 1.00 61.54 H new ATOM 0 HZ2 TRP A 23 6.927 -4.562 -2.162 1.00 64.22 H new ATOM 0 HZ3 TRP A 23 8.862 -8.029 -3.751 1.00 42.34 H new ATOM 0 HH2 TRP A 23 7.824 -6.828 -1.873 1.00 64.44 H new ATOM 358 N ARG A 24 7.850 -4.883 -11.169 1.00 4.42 N ATOM 359 CA ARG A 24 8.396 -4.982 -12.516 1.00 23.30 C ATOM 360 C ARG A 24 7.315 -4.713 -13.554 1.00 73.14 C ATOM 361 O ARG A 24 7.232 -3.608 -14.091 1.00 64.11 O ATOM 362 CB ARG A 24 9.051 -6.346 -12.755 1.00 14.10 C ATOM 363 CG ARG A 24 10.439 -6.455 -12.144 1.00 1.42 C ATOM 364 CD ARG A 24 11.353 -5.356 -12.667 1.00 75.22 C ATOM 365 NE ARG A 24 12.702 -5.433 -12.113 1.00 34.13 N ATOM 366 CZ ARG A 24 13.545 -4.404 -12.052 1.00 24.53 C ATOM 367 NH1 ARG A 24 13.191 -3.216 -12.529 1.00 64.15 N ATOM 368 NH2 ARG A 24 14.753 -4.583 -11.537 1.00 73.42 N ATOM 0 H ARG A 24 7.074 -5.517 -10.978 1.00 4.42 H new ATOM 0 HA ARG A 24 9.170 -4.221 -12.618 1.00 23.30 H new ATOM 0 HB2 ARG A 24 8.414 -7.126 -12.338 1.00 14.10 H new ATOM 0 HB3 ARG A 24 9.117 -6.528 -13.828 1.00 14.10 H new ATOM 0 HG2 ARG A 24 10.369 -6.388 -11.058 1.00 1.42 H new ATOM 0 HG3 ARG A 24 10.867 -7.430 -12.376 1.00 1.42 H new ATOM 0 HD2 ARG A 24 11.407 -5.421 -13.754 1.00 75.22 H new ATOM 0 HD3 ARG A 24 10.921 -4.385 -12.426 1.00 75.22 H new ATOM 0 HE ARG A 24 13.019 -6.332 -11.750 1.00 34.13 H new ATOM 0 HH11 ARG A 24 12.269 -3.088 -12.945 1.00 64.15 H new ATOM 0 HH12 ARG A 24 13.842 -2.432 -12.479 1.00 64.15 H new ATOM 0 HH21 ARG A 24 15.029 -5.502 -11.192 1.00 73.42 H new ATOM 0 HH22 ARG A 24 15.406 -3.801 -11.486 1.00 73.42 H new ATOM 382 N ASP A 25 6.495 -5.718 -13.834 1.00 74.13 N ATOM 383 CA ASP A 25 5.380 -5.564 -14.761 1.00 2.05 C ATOM 384 C ASP A 25 4.516 -6.815 -14.730 1.00 32.40 C ATOM 385 O ASP A 25 4.246 -7.426 -15.766 1.00 35.42 O ATOM 386 CB ASP A 25 5.893 -5.313 -16.181 1.00 25.21 C ATOM 387 CG ASP A 25 4.835 -4.704 -17.084 1.00 32.45 C ATOM 388 OD1 ASP A 25 4.598 -3.484 -16.985 1.00 53.43 O ATOM 389 OD2 ASP A 25 4.248 -5.436 -17.908 1.00 45.14 O ATOM 0 H ASP A 25 6.581 -6.651 -13.431 1.00 74.13 H new ATOM 0 HA ASP A 25 4.782 -4.705 -14.456 1.00 2.05 H new ATOM 0 HB2 ASP A 25 6.756 -4.649 -16.140 1.00 25.21 H new ATOM 0 HB3 ASP A 25 6.235 -6.254 -16.612 1.00 25.21 H new ATOM 394 N LEU A 26 4.090 -7.187 -13.521 1.00 41.21 N ATOM 395 CA LEU A 26 3.283 -8.392 -13.308 1.00 23.25 C ATOM 396 C LEU A 26 4.098 -9.657 -13.624 1.00 50.22 C ATOM 397 O LEU A 26 5.191 -9.574 -14.185 1.00 20.41 O ATOM 398 CB LEU A 26 1.995 -8.345 -14.153 1.00 23.41 C ATOM 399 CG LEU A 26 0.884 -7.413 -13.638 1.00 5.12 C ATOM 400 CD1 LEU A 26 1.315 -5.952 -13.661 1.00 13.14 C ATOM 401 CD2 LEU A 26 -0.375 -7.599 -14.467 1.00 24.41 C ATOM 0 H LEU A 26 4.292 -6.666 -12.667 1.00 41.21 H new ATOM 0 HA LEU A 26 2.997 -8.427 -12.257 1.00 23.25 H new ATOM 0 HB2 LEU A 26 2.259 -8.038 -15.165 1.00 23.41 H new ATOM 0 HB3 LEU A 26 1.592 -9.355 -14.221 1.00 23.41 H new ATOM 0 HG LEU A 26 0.680 -7.680 -12.601 1.00 5.12 H new ATOM 0 HD11 LEU A 26 0.503 -5.327 -13.290 1.00 13.14 H new ATOM 0 HD12 LEU A 26 2.192 -5.821 -13.027 1.00 13.14 H new ATOM 0 HD13 LEU A 26 1.559 -5.661 -14.683 1.00 13.14 H new ATOM 0 HD21 LEU A 26 -1.156 -6.936 -14.096 1.00 24.41 H new ATOM 0 HD22 LEU A 26 -0.163 -7.362 -15.509 1.00 24.41 H new ATOM 0 HD23 LEU A 26 -0.711 -8.633 -14.391 1.00 24.41 H new ATOM 413 N PRO A 27 3.613 -10.843 -13.210 1.00 61.41 N ATOM 414 CA PRO A 27 4.280 -12.114 -13.514 1.00 14.13 C ATOM 415 C PRO A 27 4.419 -12.335 -15.017 1.00 73.33 C ATOM 416 O PRO A 27 3.426 -12.342 -15.751 1.00 61.41 O ATOM 417 CB PRO A 27 3.355 -13.172 -12.895 1.00 51.44 C ATOM 418 CG PRO A 27 2.572 -12.437 -11.866 1.00 34.52 C ATOM 419 CD PRO A 27 2.401 -11.045 -12.403 1.00 1.43 C ATOM 0 HA PRO A 27 5.296 -12.148 -13.120 1.00 14.13 H new ATOM 0 HB2 PRO A 27 2.702 -13.615 -13.647 1.00 51.44 H new ATOM 0 HB3 PRO A 27 3.927 -13.986 -12.450 1.00 51.44 H new ATOM 0 HG2 PRO A 27 1.606 -12.912 -11.696 1.00 34.52 H new ATOM 0 HG3 PRO A 27 3.095 -12.426 -10.910 1.00 34.52 H new ATOM 0 HD2 PRO A 27 1.497 -10.954 -13.005 1.00 1.43 H new ATOM 0 HD3 PRO A 27 2.325 -10.311 -11.601 1.00 1.43 H new ATOM 998 N ALA A 64 14.197 -6.558 2.372 1.00 53.21 N ATOM 999 CA ALA A 64 13.261 -6.695 3.466 1.00 43.51 C ATOM 1000 C ALA A 64 13.074 -8.174 3.761 1.00 33.40 C ATOM 1001 O ALA A 64 13.381 -9.014 2.915 1.00 63.52 O ATOM 1002 CB ALA A 64 11.930 -6.047 3.118 1.00 3.24 C ATOM 0 HA ALA A 64 13.653 -6.190 4.349 1.00 43.51 H new ATOM 0 HB1 ALA A 64 11.240 -6.161 3.954 1.00 3.24 H new ATOM 0 HB2 ALA A 64 12.083 -4.987 2.916 1.00 3.24 H new ATOM 0 HB3 ALA A 64 11.511 -6.528 2.234 1.00 3.24 H new ATOM 1008 N GLU A 65 12.586 -8.499 4.940 1.00 44.04 N ATOM 1009 CA GLU A 65 12.318 -9.884 5.273 1.00 52.24 C ATOM 1010 C GLU A 65 10.816 -10.078 5.293 1.00 11.12 C ATOM 1011 O GLU A 65 10.082 -9.287 5.880 1.00 3.11 O ATOM 1012 CB GLU A 65 12.933 -10.250 6.626 1.00 23.34 C ATOM 1013 CG GLU A 65 13.630 -11.605 6.643 1.00 13.52 C ATOM 1014 CD GLU A 65 12.683 -12.769 6.426 1.00 41.41 C ATOM 1015 OE1 GLU A 65 12.361 -13.075 5.258 1.00 32.52 O ATOM 1016 OE2 GLU A 65 12.267 -13.394 7.423 1.00 65.14 O ATOM 0 H GLU A 65 12.368 -7.830 5.679 1.00 44.04 H new ATOM 0 HA GLU A 65 12.770 -10.540 4.529 1.00 52.24 H new ATOM 0 HB2 GLU A 65 13.651 -9.480 6.908 1.00 23.34 H new ATOM 0 HB3 GLU A 65 12.149 -10.247 7.383 1.00 23.34 H new ATOM 0 HG2 GLU A 65 14.397 -11.621 5.869 1.00 13.52 H new ATOM 0 HG3 GLU A 65 14.138 -11.732 7.599 1.00 13.52 H new ATOM 1023 N LEU A 66 10.350 -11.133 4.677 1.00 25.21 N ATOM 1024 CA LEU A 66 8.932 -11.260 4.454 1.00 51.05 C ATOM 1025 C LEU A 66 8.329 -12.284 5.400 1.00 50.23 C ATOM 1026 O LEU A 66 8.673 -13.466 5.357 1.00 60.11 O ATOM 1027 CB LEU A 66 8.663 -11.643 3.000 1.00 4.45 C ATOM 1028 CG LEU A 66 7.197 -11.685 2.585 1.00 51.12 C ATOM 1029 CD1 LEU A 66 6.593 -10.290 2.627 1.00 74.33 C ATOM 1030 CD2 LEU A 66 7.066 -12.289 1.197 1.00 63.41 C ATOM 0 H LEU A 66 10.918 -11.904 4.326 1.00 25.21 H new ATOM 0 HA LEU A 66 8.460 -10.298 4.654 1.00 51.05 H new ATOM 0 HB2 LEU A 66 9.183 -10.935 2.355 1.00 4.45 H new ATOM 0 HB3 LEU A 66 9.102 -12.624 2.815 1.00 4.45 H new ATOM 0 HG LEU A 66 6.649 -12.312 3.288 1.00 51.12 H new ATOM 0 HD11 LEU A 66 5.546 -10.338 2.328 1.00 74.33 H new ATOM 0 HD12 LEU A 66 6.663 -9.893 3.640 1.00 74.33 H new ATOM 0 HD13 LEU A 66 7.136 -9.638 1.943 1.00 74.33 H new ATOM 0 HD21 LEU A 66 6.015 -12.315 0.909 1.00 63.41 H new ATOM 0 HD22 LEU A 66 7.623 -11.683 0.482 1.00 63.41 H new ATOM 0 HD23 LEU A 66 7.466 -13.303 1.202 1.00 63.41 H new ATOM 1042 N THR A 67 7.422 -11.829 6.243 1.00 43.13 N ATOM 1043 CA THR A 67 6.845 -12.680 7.265 1.00 1.11 C ATOM 1044 C THR A 67 5.547 -13.325 6.777 1.00 14.52 C ATOM 1045 O THR A 67 5.047 -14.270 7.385 1.00 30.34 O ATOM 1046 CB THR A 67 6.582 -11.876 8.553 1.00 21.12 C ATOM 1047 OG1 THR A 67 6.208 -12.750 9.624 1.00 22.34 O ATOM 1048 CG2 THR A 67 5.490 -10.840 8.326 1.00 1.21 C ATOM 0 H THR A 67 7.068 -10.872 6.240 1.00 43.13 H new ATOM 0 HA THR A 67 7.562 -13.472 7.482 1.00 1.11 H new ATOM 0 HB THR A 67 7.504 -11.361 8.824 1.00 21.12 H new ATOM 0 HG1 THR A 67 6.046 -12.223 10.435 1.00 22.34 H new ATOM 0 HG21 THR A 67 5.320 -10.283 9.247 1.00 1.21 H new ATOM 0 HG22 THR A 67 5.799 -10.153 7.538 1.00 1.21 H new ATOM 0 HG23 THR A 67 4.569 -11.341 8.029 1.00 1.21 H new ATOM 1056 N ALA A 68 5.009 -12.816 5.674 1.00 62.32 N ATOM 1057 CA ALA A 68 3.775 -13.355 5.124 1.00 11.24 C ATOM 1058 C ALA A 68 3.768 -13.249 3.611 1.00 21.10 C ATOM 1059 O ALA A 68 3.948 -12.169 3.052 1.00 73.02 O ATOM 1060 CB ALA A 68 2.566 -12.643 5.709 1.00 23.41 C ATOM 0 H ALA A 68 5.406 -12.037 5.148 1.00 62.32 H new ATOM 0 HA ALA A 68 3.719 -14.409 5.396 1.00 11.24 H new ATOM 0 HB1 ALA A 68 1.655 -13.063 5.283 1.00 23.41 H new ATOM 0 HB2 ALA A 68 2.555 -12.774 6.791 1.00 23.41 H new ATOM 0 HB3 ALA A 68 2.620 -11.580 5.473 1.00 23.41 H new ATOM 1066 N ASP A 69 3.557 -14.378 2.964 1.00 23.03 N ATOM 1067 CA ASP A 69 3.534 -14.451 1.507 1.00 72.44 C ATOM 1068 C ASP A 69 2.428 -15.391 1.055 1.00 13.42 C ATOM 1069 O ASP A 69 2.588 -16.161 0.105 1.00 41.32 O ATOM 1070 CB ASP A 69 4.896 -14.904 0.952 1.00 4.44 C ATOM 1071 CG ASP A 69 5.401 -16.200 1.557 1.00 24.12 C ATOM 1072 OD1 ASP A 69 6.068 -16.145 2.614 1.00 5.03 O ATOM 1073 OD2 ASP A 69 5.168 -17.274 0.968 1.00 4.22 O ATOM 0 H ASP A 69 3.396 -15.272 3.428 1.00 23.03 H new ATOM 0 HA ASP A 69 3.334 -13.454 1.113 1.00 72.44 H new ATOM 0 HB2 ASP A 69 4.816 -15.025 -0.128 1.00 4.44 H new ATOM 0 HB3 ASP A 69 5.631 -14.119 1.132 1.00 4.44 H new ATOM 1078 N GLU A 70 1.294 -15.295 1.738 1.00 75.55 N ATOM 1079 CA GLU A 70 0.140 -16.132 1.449 1.00 63.21 C ATOM 1080 C GLU A 70 -0.322 -15.903 0.011 1.00 62.32 C ATOM 1081 O GLU A 70 -0.259 -14.779 -0.484 1.00 25.31 O ATOM 1082 CB GLU A 70 -0.995 -15.810 2.425 1.00 43.44 C ATOM 1083 CG GLU A 70 -0.545 -15.693 3.876 1.00 11.10 C ATOM 1084 CD GLU A 70 0.115 -16.953 4.401 1.00 33.42 C ATOM 1085 OE1 GLU A 70 1.334 -17.126 4.190 1.00 64.45 O ATOM 1086 OE2 GLU A 70 -0.576 -17.759 5.059 1.00 30.33 O ATOM 0 H GLU A 70 1.150 -14.637 2.504 1.00 75.55 H new ATOM 0 HA GLU A 70 0.420 -17.179 1.567 1.00 63.21 H new ATOM 0 HB2 GLU A 70 -1.466 -14.874 2.124 1.00 43.44 H new ATOM 0 HB3 GLU A 70 -1.756 -16.587 2.352 1.00 43.44 H new ATOM 0 HG2 GLU A 70 0.153 -14.860 3.967 1.00 11.10 H new ATOM 0 HG3 GLU A 70 -1.407 -15.456 4.499 1.00 11.10 H new ATOM 1093 N PRO A 71 -0.813 -16.962 -0.666 1.00 41.24 N ATOM 1094 CA PRO A 71 -1.173 -16.927 -2.092 1.00 73.11 C ATOM 1095 C PRO A 71 -2.018 -15.714 -2.476 1.00 21.43 C ATOM 1096 O PRO A 71 -1.812 -15.115 -3.530 1.00 52.11 O ATOM 1097 CB PRO A 71 -1.976 -18.222 -2.303 1.00 71.02 C ATOM 1098 CG PRO A 71 -2.196 -18.788 -0.938 1.00 44.11 C ATOM 1099 CD PRO A 71 -1.060 -18.287 -0.095 1.00 40.44 C ATOM 0 HA PRO A 71 -0.282 -16.850 -2.715 1.00 73.11 H new ATOM 0 HB2 PRO A 71 -2.924 -18.018 -2.800 1.00 71.02 H new ATOM 0 HB3 PRO A 71 -1.430 -18.923 -2.934 1.00 71.02 H new ATOM 0 HG2 PRO A 71 -3.155 -18.466 -0.532 1.00 44.11 H new ATOM 0 HG3 PRO A 71 -2.211 -19.878 -0.965 1.00 44.11 H new ATOM 0 HD2 PRO A 71 -1.329 -18.232 0.960 1.00 40.44 H new ATOM 0 HD3 PRO A 71 -0.184 -18.931 -0.167 1.00 40.44 H new ATOM 1107 N GLY A 72 -2.975 -15.363 -1.628 1.00 60.13 N ATOM 1108 CA GLY A 72 -3.788 -14.194 -1.886 1.00 43.02 C ATOM 1109 C GLY A 72 -4.589 -13.774 -0.671 1.00 30.42 C ATOM 1110 O GLY A 72 -5.707 -13.282 -0.794 1.00 43.52 O ATOM 0 H GLY A 72 -3.202 -15.865 -0.770 1.00 60.13 H new ATOM 0 HA2 GLY A 72 -3.147 -13.370 -2.199 1.00 43.02 H new ATOM 0 HA3 GLY A 72 -4.467 -14.401 -2.713 1.00 43.02 H new ATOM 1114 N LYS A 73 -4.016 -13.984 0.507 1.00 41.01 N ATOM 1115 CA LYS A 73 -4.671 -13.595 1.751 1.00 32.42 C ATOM 1116 C LYS A 73 -4.155 -12.244 2.226 1.00 71.42 C ATOM 1117 O LYS A 73 -4.904 -11.270 2.312 1.00 2.05 O ATOM 1118 CB LYS A 73 -4.444 -14.646 2.843 1.00 62.22 C ATOM 1119 CG LYS A 73 -5.173 -15.958 2.602 1.00 32.35 C ATOM 1120 CD LYS A 73 -4.918 -16.945 3.731 1.00 43.45 C ATOM 1121 CE LYS A 73 -5.701 -18.231 3.532 1.00 61.11 C ATOM 1122 NZ LYS A 73 -5.402 -19.237 4.586 1.00 3.13 N ATOM 0 H LYS A 73 -3.102 -14.420 0.628 1.00 41.01 H new ATOM 0 HA LYS A 73 -5.741 -13.521 1.555 1.00 32.42 H new ATOM 0 HB2 LYS A 73 -3.376 -14.846 2.924 1.00 62.22 H new ATOM 0 HB3 LYS A 73 -4.765 -14.235 3.800 1.00 62.22 H new ATOM 0 HG2 LYS A 73 -6.243 -15.771 2.514 1.00 32.35 H new ATOM 0 HG3 LYS A 73 -4.846 -16.391 1.657 1.00 32.35 H new ATOM 0 HD2 LYS A 73 -3.853 -17.171 3.785 1.00 43.45 H new ATOM 0 HD3 LYS A 73 -5.196 -16.491 4.682 1.00 43.45 H new ATOM 0 HE2 LYS A 73 -6.768 -18.009 3.535 1.00 61.11 H new ATOM 0 HE3 LYS A 73 -5.466 -18.651 2.554 1.00 61.11 H new ATOM 0 HZ1 LYS A 73 -5.958 -20.099 4.411 1.00 3.13 H new ATOM 0 HZ2 LYS A 73 -4.388 -19.469 4.567 1.00 3.13 H new ATOM 0 HZ3 LYS A 73 -5.651 -18.848 5.518 1.00 3.13 H new ATOM 1136 N ARG A 74 -2.871 -12.194 2.540 1.00 64.45 N ATOM 1137 CA ARG A 74 -2.235 -10.963 2.966 1.00 14.00 C ATOM 1138 C ARG A 74 -0.731 -11.110 2.808 1.00 71.44 C ATOM 1139 O ARG A 74 -0.177 -12.187 3.053 1.00 23.21 O ATOM 1140 CB ARG A 74 -2.606 -10.636 4.424 1.00 21.43 C ATOM 1141 CG ARG A 74 -1.592 -11.105 5.456 1.00 31.10 C ATOM 1142 CD ARG A 74 -2.168 -11.093 6.861 1.00 23.21 C ATOM 1143 NE ARG A 74 -2.965 -12.287 7.128 1.00 4.32 N ATOM 1144 CZ ARG A 74 -2.516 -13.320 7.836 1.00 51.52 C ATOM 1145 NH1 ARG A 74 -1.319 -13.257 8.411 1.00 70.53 N ATOM 1146 NH2 ARG A 74 -3.263 -14.406 7.978 1.00 10.34 N ATOM 0 H ARG A 74 -2.246 -13.000 2.507 1.00 64.45 H new ATOM 0 HA ARG A 74 -2.584 -10.136 2.347 1.00 14.00 H new ATOM 0 HB2 ARG A 74 -2.730 -9.557 4.520 1.00 21.43 H new ATOM 0 HB3 ARG A 74 -3.571 -11.090 4.650 1.00 21.43 H new ATOM 0 HG2 ARG A 74 -1.261 -12.113 5.208 1.00 31.10 H new ATOM 0 HG3 ARG A 74 -0.712 -10.463 5.419 1.00 31.10 H new ATOM 0 HD2 ARG A 74 -1.357 -11.027 7.586 1.00 23.21 H new ATOM 0 HD3 ARG A 74 -2.787 -10.205 6.993 1.00 23.21 H new ATOM 0 HE ARG A 74 -3.913 -12.331 6.753 1.00 4.32 H new ATOM 0 HH11 ARG A 74 -0.748 -12.418 8.309 1.00 70.53 H new ATOM 0 HH12 ARG A 74 -0.972 -14.047 8.954 1.00 70.53 H new ATOM 0 HH21 ARG A 74 -4.185 -14.451 7.544 1.00 10.34 H new ATOM 0 HH22 ARG A 74 -2.916 -15.196 8.521 1.00 10.34 H new ATOM 1160 N ILE A 75 -0.082 -10.053 2.369 1.00 44.14 N ATOM 1161 CA ILE A 75 1.357 -10.054 2.227 1.00 64.32 C ATOM 1162 C ILE A 75 1.947 -8.936 3.065 1.00 23.01 C ATOM 1163 O ILE A 75 1.769 -7.756 2.767 1.00 3.32 O ATOM 1164 CB ILE A 75 1.793 -9.902 0.753 1.00 14.01 C ATOM 1165 CG1 ILE A 75 1.243 -11.065 -0.082 1.00 43.24 C ATOM 1166 CG2 ILE A 75 3.312 -9.846 0.653 1.00 12.13 C ATOM 1167 CD1 ILE A 75 1.591 -10.984 -1.553 1.00 52.33 C ATOM 0 H ILE A 75 -0.532 -9.177 2.103 1.00 44.14 H new ATOM 0 HA ILE A 75 1.730 -11.017 2.576 1.00 64.32 H new ATOM 0 HB ILE A 75 1.388 -8.969 0.361 1.00 14.01 H new ATOM 0 HG12 ILE A 75 1.627 -12.002 0.321 1.00 43.24 H new ATOM 0 HG13 ILE A 75 0.158 -11.094 0.023 1.00 43.24 H new ATOM 0 HG21 ILE A 75 3.604 -9.739 -0.392 1.00 12.13 H new ATOM 0 HG22 ILE A 75 3.683 -8.994 1.223 1.00 12.13 H new ATOM 0 HG23 ILE A 75 3.737 -10.765 1.056 1.00 12.13 H new ATOM 0 HD11 ILE A 75 1.167 -11.842 -2.075 1.00 52.33 H new ATOM 0 HD12 ILE A 75 1.183 -10.065 -1.973 1.00 52.33 H new ATOM 0 HD13 ILE A 75 2.675 -10.987 -1.671 1.00 52.33 H new ATOM 1179 N ALA A 76 2.625 -9.310 4.131 1.00 61.43 N ATOM 1180 CA ALA A 76 3.195 -8.335 5.037 1.00 0.23 C ATOM 1181 C ALA A 76 4.703 -8.354 4.954 1.00 3.24 C ATOM 1182 O ALA A 76 5.347 -9.343 5.319 1.00 11.51 O ATOM 1183 CB ALA A 76 2.745 -8.603 6.461 1.00 75.51 C ATOM 0 H ALA A 76 2.794 -10.282 4.391 1.00 61.43 H new ATOM 0 HA ALA A 76 2.842 -7.347 4.742 1.00 0.23 H new ATOM 0 HB1 ALA A 76 3.184 -7.860 7.127 1.00 75.51 H new ATOM 0 HB2 ALA A 76 1.658 -8.543 6.516 1.00 75.51 H new ATOM 0 HB3 ALA A 76 3.070 -9.598 6.764 1.00 75.51 H new ATOM 1189 N TRP A 77 5.263 -7.255 4.497 1.00 65.01 N ATOM 1190 CA TRP A 77 6.696 -7.136 4.386 1.00 71.02 C ATOM 1191 C TRP A 77 7.256 -6.436 5.607 1.00 10.53 C ATOM 1192 O TRP A 77 6.830 -5.345 5.984 1.00 52.42 O ATOM 1193 CB TRP A 77 7.118 -6.435 3.082 1.00 40.41 C ATOM 1194 CG TRP A 77 6.301 -5.232 2.708 1.00 64.42 C ATOM 1195 CD1 TRP A 77 5.146 -5.230 1.980 1.00 35.51 C ATOM 1196 CD2 TRP A 77 6.587 -3.858 3.011 1.00 72.20 C ATOM 1197 NE1 TRP A 77 4.691 -3.944 1.818 1.00 3.45 N ATOM 1198 CE2 TRP A 77 5.556 -3.084 2.445 1.00 52.23 C ATOM 1199 CE3 TRP A 77 7.607 -3.209 3.711 1.00 21.02 C ATOM 1200 CZ2 TRP A 77 5.520 -1.696 2.554 1.00 53.45 C ATOM 1201 CZ3 TRP A 77 7.570 -1.832 3.818 1.00 11.00 C ATOM 1202 CH2 TRP A 77 6.532 -1.088 3.243 1.00 73.31 C ATOM 0 H TRP A 77 4.744 -6.430 4.196 1.00 65.01 H new ATOM 0 HA TRP A 77 7.117 -8.141 4.343 1.00 71.02 H new ATOM 0 HB2 TRP A 77 8.161 -6.132 3.173 1.00 40.41 H new ATOM 0 HB3 TRP A 77 7.066 -7.157 2.267 1.00 40.41 H new ATOM 0 HD1 TRP A 77 4.660 -6.112 1.588 1.00 35.51 H new ATOM 0 HE1 TRP A 77 3.847 -3.673 1.313 1.00 3.45 H new ATOM 0 HE3 TRP A 77 8.410 -3.774 4.161 1.00 21.02 H new ATOM 0 HZ2 TRP A 77 4.721 -1.121 2.110 1.00 53.45 H new ATOM 0 HZ3 TRP A 77 8.355 -1.320 4.354 1.00 11.00 H new ATOM 0 HH2 TRP A 77 6.531 -0.013 3.346 1.00 73.31 H new ATOM 1213 N ARG A 78 8.181 -7.114 6.242 1.00 45.22 N ATOM 1214 CA ARG A 78 8.865 -6.609 7.408 1.00 12.10 C ATOM 1215 C ARG A 78 10.311 -6.404 7.028 1.00 21.44 C ATOM 1216 O ARG A 78 10.697 -6.702 5.902 1.00 3.40 O ATOM 1217 CB ARG A 78 8.759 -7.607 8.563 1.00 15.52 C ATOM 1218 CG ARG A 78 7.337 -8.038 8.877 1.00 24.31 C ATOM 1219 CD ARG A 78 6.519 -6.911 9.484 1.00 61.34 C ATOM 1220 NE ARG A 78 5.154 -7.340 9.793 1.00 23.55 N ATOM 1221 CZ ARG A 78 4.305 -6.648 10.552 1.00 63.41 C ATOM 1222 NH1 ARG A 78 4.673 -5.490 11.086 1.00 34.41 N ATOM 1223 NH2 ARG A 78 3.091 -7.124 10.787 1.00 31.04 N ATOM 0 H ARG A 78 8.484 -8.046 5.959 1.00 45.22 H new ATOM 0 HA ARG A 78 8.416 -5.672 7.738 1.00 12.10 H new ATOM 0 HB2 ARG A 78 9.351 -8.490 8.322 1.00 15.52 H new ATOM 0 HB3 ARG A 78 9.199 -7.162 9.456 1.00 15.52 H new ATOM 0 HG2 ARG A 78 6.854 -8.385 7.964 1.00 24.31 H new ATOM 0 HG3 ARG A 78 7.358 -8.882 9.567 1.00 24.31 H new ATOM 0 HD2 ARG A 78 7.004 -6.558 10.394 1.00 61.34 H new ATOM 0 HD3 ARG A 78 6.488 -6.070 8.792 1.00 61.34 H new ATOM 0 HE ARG A 78 4.832 -8.225 9.402 1.00 23.55 H new ATOM 0 HH11 ARG A 78 5.610 -5.125 10.916 1.00 34.41 H new ATOM 0 HH12 ARG A 78 4.019 -4.965 11.666 1.00 34.41 H new ATOM 0 HH21 ARG A 78 2.808 -8.019 10.387 1.00 31.04 H new ATOM 0 HH22 ARG A 78 2.440 -6.596 11.368 1.00 31.04 H new ATOM 1237 N SER A 79 11.114 -5.876 7.911 1.00 14.25 N ATOM 1238 CA SER A 79 12.517 -5.776 7.602 1.00 54.01 C ATOM 1239 C SER A 79 13.282 -6.918 8.257 1.00 12.43 C ATOM 1240 O SER A 79 12.767 -7.592 9.150 1.00 24.04 O ATOM 1241 CB SER A 79 13.081 -4.424 8.039 1.00 32.23 C ATOM 1242 OG SER A 79 12.311 -3.353 7.523 1.00 73.35 O ATOM 0 H SER A 79 10.835 -5.518 8.824 1.00 14.25 H new ATOM 0 HA SER A 79 12.636 -5.851 6.521 1.00 54.01 H new ATOM 0 HB2 SER A 79 13.099 -4.370 9.128 1.00 32.23 H new ATOM 0 HB3 SER A 79 14.112 -4.331 7.698 1.00 32.23 H new ATOM 0 HG SER A 79 12.574 -2.518 7.964 1.00 73.35 H new ATOM 1248 N LEU A 80 14.500 -7.135 7.796 1.00 34.32 N ATOM 1249 CA LEU A 80 15.326 -8.230 8.275 1.00 62.52 C ATOM 1250 C LEU A 80 15.770 -7.984 9.713 1.00 64.20 C ATOM 1251 O LEU A 80 15.714 -6.853 10.195 1.00 24.11 O ATOM 1252 CB LEU A 80 16.539 -8.399 7.363 1.00 22.52 C ATOM 1253 CG LEU A 80 16.201 -8.592 5.887 1.00 24.12 C ATOM 1254 CD1 LEU A 80 16.125 -7.255 5.170 1.00 51.23 C ATOM 1255 CD2 LEU A 80 17.217 -9.490 5.227 1.00 12.54 C ATOM 0 H LEU A 80 14.944 -6.559 7.081 1.00 34.32 H new ATOM 0 HA LEU A 80 14.737 -9.147 8.257 1.00 62.52 H new ATOM 0 HB2 LEU A 80 17.178 -7.522 7.464 1.00 22.52 H new ATOM 0 HB3 LEU A 80 17.118 -9.257 7.705 1.00 22.52 H new ATOM 0 HG LEU A 80 15.223 -9.068 5.821 1.00 24.12 H new ATOM 0 HD11 LEU A 80 15.883 -7.419 4.120 1.00 51.23 H new ATOM 0 HD12 LEU A 80 15.351 -6.639 5.629 1.00 51.23 H new ATOM 0 HD13 LEU A 80 17.086 -6.746 5.246 1.00 51.23 H new ATOM 0 HD21 LEU A 80 16.961 -9.617 4.175 1.00 12.54 H new ATOM 0 HD22 LEU A 80 18.207 -9.041 5.308 1.00 12.54 H new ATOM 0 HD23 LEU A 80 17.218 -10.462 5.720 1.00 12.54 H new ATOM 1267 N PRO A 81 16.204 -9.042 10.418 1.00 53.44 N ATOM 1268 CA PRO A 81 16.699 -8.930 11.794 1.00 54.32 C ATOM 1269 C PRO A 81 17.802 -7.879 11.929 1.00 34.14 C ATOM 1270 O PRO A 81 17.834 -7.117 12.898 1.00 60.23 O ATOM 1271 CB PRO A 81 17.250 -10.328 12.089 1.00 20.33 C ATOM 1272 CG PRO A 81 16.499 -11.233 11.175 1.00 25.24 C ATOM 1273 CD PRO A 81 16.227 -10.436 9.933 1.00 62.53 C ATOM 0 HA PRO A 81 15.918 -8.613 12.485 1.00 54.32 H new ATOM 0 HB2 PRO A 81 18.323 -10.378 11.902 1.00 20.33 H new ATOM 0 HB3 PRO A 81 17.095 -10.602 13.133 1.00 20.33 H new ATOM 0 HG2 PRO A 81 17.081 -12.126 10.946 1.00 25.24 H new ATOM 0 HG3 PRO A 81 15.569 -11.568 11.635 1.00 25.24 H new ATOM 0 HD2 PRO A 81 17.002 -10.587 9.181 1.00 62.53 H new ATOM 0 HD3 PRO A 81 15.279 -10.718 9.475 1.00 62.53 H new ATOM 1281 N GLY A 82 18.698 -7.841 10.952 1.00 1.20 N ATOM 1282 CA GLY A 82 19.762 -6.859 10.960 1.00 73.50 C ATOM 1283 C GLY A 82 19.323 -5.530 10.380 1.00 12.55 C ATOM 1284 O GLY A 82 19.926 -4.491 10.653 1.00 1.11 O ATOM 0 H GLY A 82 18.706 -8.475 10.153 1.00 1.20 H new ATOM 0 HA2 GLY A 82 20.108 -6.710 11.983 1.00 73.50 H new ATOM 0 HA3 GLY A 82 20.609 -7.240 10.389 1.00 73.50 H new ATOM 1288 N ALA A 83 18.259 -5.558 9.589 1.00 30.24 N ATOM 1289 CA ALA A 83 17.744 -4.353 8.960 1.00 5.45 C ATOM 1290 C ALA A 83 16.854 -3.579 9.925 1.00 74.32 C ATOM 1291 O ALA A 83 16.461 -4.096 10.972 1.00 21.54 O ATOM 1292 CB ALA A 83 16.984 -4.696 7.691 1.00 63.24 C ATOM 0 H ALA A 83 17.736 -6.405 9.368 1.00 30.24 H new ATOM 0 HA ALA A 83 18.590 -3.719 8.693 1.00 5.45 H new ATOM 0 HB1 ALA A 83 16.606 -3.781 7.235 1.00 63.24 H new ATOM 0 HB2 ALA A 83 17.651 -5.201 6.993 1.00 63.24 H new ATOM 0 HB3 ALA A 83 16.148 -5.352 7.934 1.00 63.24 H new ATOM 1298 N ARG A 84 16.535 -2.344 9.570 1.00 1.25 N ATOM 1299 CA ARG A 84 15.750 -1.480 10.443 1.00 25.32 C ATOM 1300 C ARG A 84 14.261 -1.785 10.299 1.00 33.24 C ATOM 1301 O ARG A 84 13.631 -1.421 9.302 1.00 32.31 O ATOM 1302 CB ARG A 84 16.027 0.001 10.149 1.00 62.31 C ATOM 1303 CG ARG A 84 17.367 0.504 10.678 1.00 12.23 C ATOM 1304 CD ARG A 84 18.549 -0.137 9.965 1.00 3.03 C ATOM 1305 NE ARG A 84 18.560 0.170 8.534 1.00 5.31 N ATOM 1306 CZ ARG A 84 19.036 -0.647 7.592 1.00 34.35 C ATOM 1307 NH1 ARG A 84 19.587 -1.809 7.922 1.00 2.13 N ATOM 1308 NH2 ARG A 84 18.975 -0.289 6.318 1.00 50.41 N ATOM 0 H ARG A 84 16.806 -1.916 8.685 1.00 1.25 H new ATOM 0 HA ARG A 84 16.048 -1.680 11.472 1.00 25.32 H new ATOM 0 HB2 ARG A 84 15.993 0.158 9.071 1.00 62.31 H new ATOM 0 HB3 ARG A 84 15.229 0.602 10.585 1.00 62.31 H new ATOM 0 HG2 ARG A 84 17.418 1.586 10.560 1.00 12.23 H new ATOM 0 HG3 ARG A 84 17.434 0.296 11.746 1.00 12.23 H new ATOM 0 HD2 ARG A 84 19.477 0.212 10.417 1.00 3.03 H new ATOM 0 HD3 ARG A 84 18.513 -1.218 10.103 1.00 3.03 H new ATOM 0 HE ARG A 84 18.179 1.068 8.237 1.00 5.31 H new ATOM 0 HH11 ARG A 84 19.649 -2.084 8.902 1.00 2.13 H new ATOM 0 HH12 ARG A 84 19.948 -2.427 7.195 1.00 2.13 H new ATOM 0 HH21 ARG A 84 18.565 0.609 6.060 1.00 50.41 H new ATOM 0 HH22 ARG A 84 19.338 -0.911 5.596 1.00 50.41 H new ATOM 1322 N ILE A 85 13.712 -2.468 11.293 1.00 31.20 N ATOM 1323 CA ILE A 85 12.312 -2.852 11.281 1.00 43.23 C ATOM 1324 C ILE A 85 11.568 -2.198 12.442 1.00 51.41 C ATOM 1325 O ILE A 85 11.881 -2.428 13.609 1.00 34.14 O ATOM 1326 CB ILE A 85 12.144 -4.392 11.336 1.00 14.31 C ATOM 1327 CG1 ILE A 85 10.666 -4.766 11.491 1.00 14.20 C ATOM 1328 CG2 ILE A 85 12.983 -4.999 12.455 1.00 31.14 C ATOM 1329 CD1 ILE A 85 10.416 -6.258 11.512 1.00 3.21 C ATOM 0 H ILE A 85 14.222 -2.769 12.124 1.00 31.20 H new ATOM 0 HA ILE A 85 11.882 -2.502 10.343 1.00 43.23 H new ATOM 0 HB ILE A 85 12.504 -4.806 10.394 1.00 14.31 H new ATOM 0 HG12 ILE A 85 10.285 -4.329 12.414 1.00 14.20 H new ATOM 0 HG13 ILE A 85 10.100 -4.323 10.671 1.00 14.20 H new ATOM 0 HG21 ILE A 85 12.844 -6.080 12.468 1.00 31.14 H new ATOM 0 HG22 ILE A 85 14.035 -4.770 12.286 1.00 31.14 H new ATOM 0 HG23 ILE A 85 12.670 -4.581 13.412 1.00 31.14 H new ATOM 0 HD11 ILE A 85 9.348 -6.446 11.624 1.00 3.21 H new ATOM 0 HD12 ILE A 85 10.766 -6.699 10.579 1.00 3.21 H new ATOM 0 HD13 ILE A 85 10.953 -6.705 12.348 1.00 3.21 H new ATOM 1341 N GLU A 86 10.608 -1.352 12.113 1.00 14.24 N ATOM 1342 CA GLU A 86 9.796 -0.693 13.121 1.00 23.24 C ATOM 1343 C GLU A 86 8.436 -0.333 12.539 1.00 41.34 C ATOM 1344 O GLU A 86 7.404 -0.528 13.182 1.00 34.44 O ATOM 1345 CB GLU A 86 10.510 0.555 13.643 1.00 52.34 C ATOM 1346 CG GLU A 86 9.786 1.241 14.791 1.00 3.43 C ATOM 1347 CD GLU A 86 10.566 2.412 15.352 1.00 25.13 C ATOM 1348 OE1 GLU A 86 10.739 3.415 14.630 1.00 42.24 O ATOM 1349 OE2 GLU A 86 11.000 2.340 16.521 1.00 1.35 O ATOM 0 H GLU A 86 10.371 -1.104 11.152 1.00 14.24 H new ATOM 0 HA GLU A 86 9.645 -1.375 13.958 1.00 23.24 H new ATOM 0 HB2 GLU A 86 11.512 0.278 13.971 1.00 52.34 H new ATOM 0 HB3 GLU A 86 10.627 1.265 12.824 1.00 52.34 H new ATOM 0 HG2 GLU A 86 8.812 1.589 14.446 1.00 3.43 H new ATOM 0 HG3 GLU A 86 9.603 0.517 15.585 1.00 3.43 H new ATOM 1356 N ASN A 87 8.440 0.164 11.308 1.00 63.34 N ATOM 1357 CA ASN A 87 7.204 0.525 10.623 1.00 33.21 C ATOM 1358 C ASN A 87 6.505 -0.724 10.110 1.00 41.13 C ATOM 1359 O ASN A 87 7.148 -1.743 9.855 1.00 44.44 O ATOM 1360 CB ASN A 87 7.485 1.479 9.458 1.00 73.23 C ATOM 1361 CG ASN A 87 7.982 2.835 9.918 1.00 63.11 C ATOM 1362 OD1 ASN A 87 7.621 3.315 10.992 1.00 53.33 O ATOM 1363 ND2 ASN A 87 8.821 3.456 9.105 1.00 43.13 N ATOM 0 H ASN A 87 9.287 0.327 10.763 1.00 63.34 H new ATOM 0 HA ASN A 87 6.555 1.032 11.337 1.00 33.21 H new ATOM 0 HB2 ASN A 87 8.226 1.030 8.797 1.00 73.23 H new ATOM 0 HB3 ASN A 87 6.574 1.610 8.873 1.00 73.23 H new ATOM 0 HD21 ASN A 87 9.195 4.370 9.360 1.00 43.13 H new ATOM 0 HD22 ASN A 87 9.093 3.021 8.224 1.00 43.13 H new ATOM 1370 N SER A 88 5.195 -0.642 9.956 1.00 44.13 N ATOM 1371 CA SER A 88 4.413 -1.783 9.511 1.00 4.02 C ATOM 1372 C SER A 88 4.180 -1.721 8.004 1.00 33.43 C ATOM 1373 O SER A 88 3.712 -0.712 7.480 1.00 63.12 O ATOM 1374 CB SER A 88 3.070 -1.809 10.245 1.00 52.23 C ATOM 1375 OG SER A 88 3.254 -1.735 11.649 1.00 11.05 O ATOM 0 H SER A 88 4.650 0.202 10.132 1.00 44.13 H new ATOM 0 HA SER A 88 4.967 -2.694 9.738 1.00 4.02 H new ATOM 0 HB2 SER A 88 2.454 -0.974 9.911 1.00 52.23 H new ATOM 0 HB3 SER A 88 2.532 -2.723 9.993 1.00 52.23 H new ATOM 0 HG SER A 88 2.381 -1.752 12.095 1.00 11.05 H new ATOM 1381 N GLY A 89 4.508 -2.806 7.317 1.00 54.34 N ATOM 1382 CA GLY A 89 4.283 -2.879 5.889 1.00 13.42 C ATOM 1383 C GLY A 89 3.406 -4.052 5.526 1.00 5.23 C ATOM 1384 O GLY A 89 3.821 -4.955 4.806 1.00 34.44 O ATOM 0 H GLY A 89 4.928 -3.641 7.726 1.00 54.34 H new ATOM 0 HA2 GLY A 89 3.817 -1.955 5.545 1.00 13.42 H new ATOM 0 HA3 GLY A 89 5.239 -2.965 5.373 1.00 13.42 H new ATOM 1388 N GLU A 90 2.189 -4.049 6.032 1.00 33.41 N ATOM 1389 CA GLU A 90 1.285 -5.164 5.820 1.00 0.00 C ATOM 1390 C GLU A 90 0.252 -4.823 4.755 1.00 71.23 C ATOM 1391 O GLU A 90 -0.478 -3.841 4.883 1.00 21.40 O ATOM 1392 CB GLU A 90 0.597 -5.534 7.132 1.00 30.21 C ATOM 1393 CG GLU A 90 -0.289 -6.762 7.032 1.00 35.13 C ATOM 1394 CD GLU A 90 -0.780 -7.224 8.384 1.00 44.54 C ATOM 1395 OE1 GLU A 90 -1.792 -6.682 8.871 1.00 3.30 O ATOM 1396 OE2 GLU A 90 -0.153 -8.128 8.969 1.00 40.34 O ATOM 0 H GLU A 90 1.803 -3.289 6.592 1.00 33.41 H new ATOM 0 HA GLU A 90 1.863 -6.020 5.471 1.00 0.00 H new ATOM 0 HB2 GLU A 90 1.357 -5.706 7.894 1.00 30.21 H new ATOM 0 HB3 GLU A 90 -0.005 -4.689 7.467 1.00 30.21 H new ATOM 0 HG2 GLU A 90 -1.144 -6.540 6.393 1.00 35.13 H new ATOM 0 HG3 GLU A 90 0.265 -7.569 6.553 1.00 35.13 H new ATOM 1403 N VAL A 91 0.210 -5.624 3.700 1.00 0.22 N ATOM 1404 CA VAL A 91 -0.756 -5.434 2.631 1.00 3.15 C ATOM 1405 C VAL A 91 -1.750 -6.578 2.598 1.00 50.43 C ATOM 1406 O VAL A 91 -1.379 -7.741 2.469 1.00 54.21 O ATOM 1407 CB VAL A 91 -0.074 -5.319 1.254 1.00 64.34 C ATOM 1408 CG1 VAL A 91 -1.103 -5.250 0.135 1.00 74.42 C ATOM 1409 CG2 VAL A 91 0.820 -4.101 1.226 1.00 43.11 C ATOM 0 H VAL A 91 0.838 -6.416 3.563 1.00 0.22 H new ATOM 0 HA VAL A 91 -1.277 -4.499 2.838 1.00 3.15 H new ATOM 0 HB VAL A 91 0.531 -6.211 1.093 1.00 64.34 H new ATOM 0 HG11 VAL A 91 -0.592 -5.169 -0.825 1.00 74.42 H new ATOM 0 HG12 VAL A 91 -1.714 -6.153 0.146 1.00 74.42 H new ATOM 0 HG13 VAL A 91 -1.741 -4.378 0.281 1.00 74.42 H new ATOM 0 HG21 VAL A 91 1.300 -4.024 0.250 1.00 43.11 H new ATOM 0 HG22 VAL A 91 0.223 -3.207 1.408 1.00 43.11 H new ATOM 0 HG23 VAL A 91 1.583 -4.192 1.999 1.00 43.11 H new ATOM 1419 N LEU A 92 -3.009 -6.238 2.727 1.00 43.43 N ATOM 1420 CA LEU A 92 -4.073 -7.228 2.683 1.00 62.11 C ATOM 1421 C LEU A 92 -4.658 -7.304 1.283 1.00 52.21 C ATOM 1422 O LEU A 92 -4.784 -6.285 0.604 1.00 4.11 O ATOM 1423 CB LEU A 92 -5.173 -6.890 3.691 1.00 4.51 C ATOM 1424 CG LEU A 92 -4.928 -7.364 5.128 1.00 41.13 C ATOM 1425 CD1 LEU A 92 -3.609 -6.833 5.667 1.00 24.23 C ATOM 1426 CD2 LEU A 92 -6.073 -6.924 6.022 1.00 32.10 C ATOM 0 H LEU A 92 -3.330 -5.279 2.864 1.00 43.43 H new ATOM 0 HA LEU A 92 -3.649 -8.197 2.947 1.00 62.11 H new ATOM 0 HB2 LEU A 92 -5.309 -5.809 3.703 1.00 4.51 H new ATOM 0 HB3 LEU A 92 -6.108 -7.325 3.339 1.00 4.51 H new ATOM 0 HG LEU A 92 -4.874 -8.453 5.121 1.00 41.13 H new ATOM 0 HD11 LEU A 92 -3.464 -7.187 6.688 1.00 24.23 H new ATOM 0 HD12 LEU A 92 -2.791 -7.188 5.041 1.00 24.23 H new ATOM 0 HD13 LEU A 92 -3.625 -5.743 5.659 1.00 24.23 H new ATOM 0 HD21 LEU A 92 -5.891 -7.265 7.041 1.00 32.10 H new ATOM 0 HD22 LEU A 92 -6.146 -5.837 6.011 1.00 32.10 H new ATOM 0 HD23 LEU A 92 -7.006 -7.354 5.657 1.00 32.10 H new ATOM 1438 N PHE A 93 -5.000 -8.513 0.857 1.00 20.42 N ATOM 1439 CA PHE A 93 -5.599 -8.725 -0.452 1.00 11.13 C ATOM 1440 C PHE A 93 -6.957 -9.392 -0.305 1.00 22.54 C ATOM 1441 O PHE A 93 -7.058 -10.519 0.179 1.00 60.45 O ATOM 1442 CB PHE A 93 -4.688 -9.581 -1.335 1.00 33.13 C ATOM 1443 CG PHE A 93 -3.426 -8.882 -1.753 1.00 63.41 C ATOM 1444 CD1 PHE A 93 -3.442 -7.980 -2.803 1.00 23.52 C ATOM 1445 CD2 PHE A 93 -2.227 -9.132 -1.106 1.00 64.35 C ATOM 1446 CE1 PHE A 93 -2.288 -7.332 -3.196 1.00 74.33 C ATOM 1447 CE2 PHE A 93 -1.068 -8.485 -1.496 1.00 32.03 C ATOM 1448 CZ PHE A 93 -1.099 -7.586 -2.544 1.00 42.44 C ATOM 0 H PHE A 93 -4.872 -9.365 1.403 1.00 20.42 H new ATOM 0 HA PHE A 93 -5.728 -7.754 -0.930 1.00 11.13 H new ATOM 0 HB2 PHE A 93 -4.427 -10.493 -0.798 1.00 33.13 H new ATOM 0 HB3 PHE A 93 -5.239 -9.883 -2.226 1.00 33.13 H new ATOM 0 HD1 PHE A 93 -4.368 -7.781 -3.321 1.00 23.52 H new ATOM 0 HD2 PHE A 93 -2.197 -9.838 -0.290 1.00 64.35 H new ATOM 0 HE1 PHE A 93 -2.316 -6.627 -4.013 1.00 74.33 H new ATOM 0 HE2 PHE A 93 -0.139 -8.683 -0.981 1.00 32.03 H new ATOM 0 HZ PHE A 93 -0.194 -7.083 -2.852 1.00 42.44 H new ATOM 1458 N ARG A 94 -8.001 -8.689 -0.705 1.00 34.14 N ATOM 1459 CA ARG A 94 -9.350 -9.215 -0.601 1.00 61.13 C ATOM 1460 C ARG A 94 -10.172 -8.827 -1.825 1.00 4.21 C ATOM 1461 O ARG A 94 -9.991 -7.740 -2.377 1.00 34.23 O ATOM 1462 CB ARG A 94 -10.021 -8.708 0.683 1.00 4.24 C ATOM 1463 CG ARG A 94 -10.083 -7.190 0.794 1.00 31.04 C ATOM 1464 CD ARG A 94 -10.763 -6.760 2.083 1.00 54.40 C ATOM 1465 NE ARG A 94 -10.970 -5.315 2.139 1.00 1.23 N ATOM 1466 CZ ARG A 94 -11.721 -4.702 3.052 1.00 4.34 C ATOM 1467 NH1 ARG A 94 -12.327 -5.404 4.004 1.00 4.42 N ATOM 1468 NH2 ARG A 94 -11.858 -3.383 3.005 1.00 75.54 N ATOM 0 H ARG A 94 -7.941 -7.753 -1.105 1.00 34.14 H new ATOM 0 HA ARG A 94 -9.296 -10.303 -0.557 1.00 61.13 H new ATOM 0 HB2 ARG A 94 -11.034 -9.107 0.733 1.00 4.24 H new ATOM 0 HB3 ARG A 94 -9.480 -9.103 1.543 1.00 4.24 H new ATOM 0 HG2 ARG A 94 -9.074 -6.779 0.757 1.00 31.04 H new ATOM 0 HG3 ARG A 94 -10.625 -6.782 -0.059 1.00 31.04 H new ATOM 0 HD2 ARG A 94 -11.724 -7.267 2.172 1.00 54.40 H new ATOM 0 HD3 ARG A 94 -10.157 -7.072 2.934 1.00 54.40 H new ATOM 0 HE ARG A 94 -10.510 -4.739 1.434 1.00 1.23 H new ATOM 0 HH11 ARG A 94 -12.218 -6.418 4.038 1.00 4.42 H new ATOM 0 HH12 ARG A 94 -12.901 -4.929 4.701 1.00 4.42 H new ATOM 0 HH21 ARG A 94 -11.390 -2.847 2.274 1.00 75.54 H new ATOM 0 HH22 ARG A 94 -12.431 -2.905 3.700 1.00 75.54 H new ATOM 1482 N PRO A 95 -11.073 -9.719 -2.271 1.00 61.33 N ATOM 1483 CA PRO A 95 -11.937 -9.461 -3.427 1.00 0.03 C ATOM 1484 C PRO A 95 -12.764 -8.193 -3.248 1.00 2.31 C ATOM 1485 O PRO A 95 -13.340 -7.957 -2.183 1.00 52.44 O ATOM 1486 CB PRO A 95 -12.846 -10.692 -3.486 1.00 35.34 C ATOM 1487 CG PRO A 95 -12.096 -11.755 -2.763 1.00 70.55 C ATOM 1488 CD PRO A 95 -11.313 -11.050 -1.692 1.00 40.24 C ATOM 0 HA PRO A 95 -11.362 -9.305 -4.340 1.00 0.03 H new ATOM 0 HB2 PRO A 95 -13.808 -10.496 -3.013 1.00 35.34 H new ATOM 0 HB3 PRO A 95 -13.051 -10.983 -4.516 1.00 35.34 H new ATOM 0 HG2 PRO A 95 -12.777 -12.488 -2.331 1.00 70.55 H new ATOM 0 HG3 PRO A 95 -11.434 -12.295 -3.440 1.00 70.55 H new ATOM 0 HD2 PRO A 95 -11.873 -10.988 -0.759 1.00 40.24 H new ATOM 0 HD3 PRO A 95 -10.379 -11.567 -1.470 1.00 40.24 H new ATOM 1496 N ALA A 96 -12.811 -7.382 -4.287 1.00 75.15 N ATOM 1497 CA ALA A 96 -13.498 -6.104 -4.230 1.00 23.22 C ATOM 1498 C ALA A 96 -14.927 -6.209 -4.747 1.00 60.34 C ATOM 1499 O ALA A 96 -15.205 -6.975 -5.673 1.00 44.32 O ATOM 1500 CB ALA A 96 -12.731 -5.074 -5.033 1.00 0.42 C ATOM 0 H ALA A 96 -12.378 -7.587 -5.188 1.00 75.15 H new ATOM 0 HA ALA A 96 -13.546 -5.795 -3.186 1.00 23.22 H new ATOM 0 HB1 ALA A 96 -13.250 -4.117 -4.987 1.00 0.42 H new ATOM 0 HB2 ALA A 96 -11.729 -4.963 -4.620 1.00 0.42 H new ATOM 0 HB3 ALA A 96 -12.661 -5.400 -6.071 1.00 0.42 H new ATOM 1506 N PRO A 97 -15.848 -5.439 -4.144 1.00 15.40 N ATOM 1507 CA PRO A 97 -17.243 -5.358 -4.593 1.00 15.42 C ATOM 1508 C PRO A 97 -17.357 -4.994 -6.069 1.00 1.42 C ATOM 1509 O PRO A 97 -16.483 -4.329 -6.631 1.00 33.31 O ATOM 1510 CB PRO A 97 -17.827 -4.238 -3.739 1.00 44.33 C ATOM 1511 CG PRO A 97 -16.986 -4.222 -2.512 1.00 1.24 C ATOM 1512 CD PRO A 97 -15.602 -4.595 -2.960 1.00 73.14 C ATOM 0 HA PRO A 97 -17.756 -6.314 -4.487 1.00 15.42 H new ATOM 0 HB2 PRO A 97 -17.787 -3.281 -4.259 1.00 44.33 H new ATOM 0 HB3 PRO A 97 -18.873 -4.427 -3.500 1.00 44.33 H new ATOM 0 HG2 PRO A 97 -16.994 -3.237 -2.045 1.00 1.24 H new ATOM 0 HG3 PRO A 97 -17.361 -4.928 -1.772 1.00 1.24 H new ATOM 0 HD2 PRO A 97 -15.008 -3.715 -3.209 1.00 73.14 H new ATOM 0 HD3 PRO A 97 -15.060 -5.137 -2.185 1.00 73.14 H new ATOM 1520 N GLY A 98 -18.430 -5.450 -6.698 1.00 25.34 N ATOM 1521 CA GLY A 98 -18.622 -5.198 -8.109 1.00 51.32 C ATOM 1522 C GLY A 98 -17.799 -6.144 -8.951 1.00 3.04 C ATOM 1523 O GLY A 98 -17.847 -6.097 -10.178 1.00 42.32 O ATOM 0 H GLY A 98 -19.172 -5.991 -6.254 1.00 25.34 H new ATOM 0 HA2 GLY A 98 -19.677 -5.308 -8.360 1.00 51.32 H new ATOM 0 HA3 GLY A 98 -18.345 -4.169 -8.338 1.00 51.32 H new ATOM 1527 N ALA A 99 -17.046 -7.009 -8.271 1.00 25.43 N ATOM 1528 CA ALA A 99 -16.172 -7.977 -8.922 1.00 31.13 C ATOM 1529 C ALA A 99 -15.131 -7.277 -9.792 1.00 23.44 C ATOM 1530 O ALA A 99 -14.727 -7.797 -10.835 1.00 44.43 O ATOM 1531 CB ALA A 99 -16.990 -8.967 -9.739 1.00 53.01 C ATOM 0 H ALA A 99 -17.027 -7.056 -7.252 1.00 25.43 H new ATOM 0 HA ALA A 99 -15.639 -8.530 -8.149 1.00 31.13 H new ATOM 0 HB1 ALA A 99 -16.322 -9.683 -10.218 1.00 53.01 H new ATOM 0 HB2 ALA A 99 -17.680 -9.498 -9.083 1.00 53.01 H new ATOM 0 HB3 ALA A 99 -17.555 -8.431 -10.502 1.00 53.01 H new ATOM 1537 N ARG A 100 -14.687 -6.099 -9.353 1.00 32.13 N ATOM 1538 CA ARG A 100 -13.636 -5.377 -10.067 1.00 62.21 C ATOM 1539 C ARG A 100 -12.339 -6.169 -10.044 1.00 62.54 C ATOM 1540 O ARG A 100 -11.650 -6.293 -11.056 1.00 43.43 O ATOM 1541 CB ARG A 100 -13.398 -3.991 -9.460 1.00 0.32 C ATOM 1542 CG ARG A 100 -14.393 -2.935 -9.908 1.00 22.45 C ATOM 1543 CD ARG A 100 -14.037 -1.568 -9.338 1.00 71.51 C ATOM 1544 NE ARG A 100 -12.674 -1.155 -9.684 1.00 5.10 N ATOM 1545 CZ ARG A 100 -12.047 -0.114 -9.130 1.00 44.53 C ATOM 1546 NH1 ARG A 100 -12.652 0.608 -8.194 1.00 12.41 N ATOM 1547 NH2 ARG A 100 -10.812 0.196 -9.497 1.00 61.13 N ATOM 0 H ARG A 100 -15.034 -5.630 -8.517 1.00 32.13 H new ATOM 0 HA ARG A 100 -13.968 -5.251 -11.098 1.00 62.21 H new ATOM 0 HB2 ARG A 100 -13.435 -4.071 -8.374 1.00 0.32 H new ATOM 0 HB3 ARG A 100 -12.393 -3.660 -9.721 1.00 0.32 H new ATOM 0 HG2 ARG A 100 -14.409 -2.885 -10.997 1.00 22.45 H new ATOM 0 HG3 ARG A 100 -15.396 -3.216 -9.587 1.00 22.45 H new ATOM 0 HD2 ARG A 100 -14.744 -0.827 -9.711 1.00 71.51 H new ATOM 0 HD3 ARG A 100 -14.142 -1.591 -8.253 1.00 71.51 H new ATOM 0 HE ARG A 100 -12.174 -1.695 -10.390 1.00 5.10 H new ATOM 0 HH11 ARG A 100 -13.598 0.368 -7.897 1.00 12.41 H new ATOM 0 HH12 ARG A 100 -12.171 1.403 -7.772 1.00 12.41 H new ATOM 0 HH21 ARG A 100 -10.336 -0.361 -10.206 1.00 61.13 H new ATOM 0 HH22 ARG A 100 -10.338 0.992 -9.071 1.00 61.13 H new ATOM 1561 N GLY A 101 -12.033 -6.725 -8.884 1.00 51.41 N ATOM 1562 CA GLY A 101 -10.814 -7.483 -8.714 1.00 40.23 C ATOM 1563 C GLY A 101 -10.466 -7.647 -7.255 1.00 73.33 C ATOM 1564 O GLY A 101 -11.275 -8.150 -6.473 1.00 1.02 O ATOM 0 H GLY A 101 -12.615 -6.663 -8.048 1.00 51.41 H new ATOM 0 HA2 GLY A 101 -10.927 -8.464 -9.175 1.00 40.23 H new ATOM 0 HA3 GLY A 101 -9.996 -6.980 -9.230 1.00 40.23 H new ATOM 1568 N THR A 102 -9.286 -7.195 -6.881 1.00 34.23 N ATOM 1569 CA THR A 102 -8.826 -7.316 -5.515 1.00 2.10 C ATOM 1570 C THR A 102 -8.344 -5.973 -4.980 1.00 73.22 C ATOM 1571 O THR A 102 -7.641 -5.222 -5.660 1.00 61.14 O ATOM 1572 CB THR A 102 -7.721 -8.382 -5.402 1.00 62.00 C ATOM 1573 OG1 THR A 102 -8.287 -9.668 -5.675 1.00 64.14 O ATOM 1574 CG2 THR A 102 -7.085 -8.390 -4.021 1.00 11.13 C ATOM 0 H THR A 102 -8.625 -6.738 -7.510 1.00 34.23 H new ATOM 0 HA THR A 102 -9.669 -7.637 -4.903 1.00 2.10 H new ATOM 0 HB THR A 102 -6.941 -8.145 -6.125 1.00 62.00 H new ATOM 0 HG1 THR A 102 -7.579 -10.346 -5.664 1.00 64.14 H new ATOM 0 HG21 THR A 102 -6.310 -9.156 -3.982 1.00 11.13 H new ATOM 0 HG22 THR A 102 -6.642 -7.415 -3.819 1.00 11.13 H new ATOM 0 HG23 THR A 102 -7.846 -8.605 -3.271 1.00 11.13 H new ATOM 1582 N GLU A 103 -8.762 -5.678 -3.766 1.00 41.34 N ATOM 1583 CA GLU A 103 -8.441 -4.431 -3.106 1.00 13.13 C ATOM 1584 C GLU A 103 -7.157 -4.579 -2.298 1.00 23.03 C ATOM 1585 O GLU A 103 -7.004 -5.545 -1.546 1.00 60.41 O ATOM 1586 CB GLU A 103 -9.611 -4.056 -2.192 1.00 12.32 C ATOM 1587 CG GLU A 103 -9.418 -2.781 -1.394 1.00 32.13 C ATOM 1588 CD GLU A 103 -10.578 -2.521 -0.454 1.00 64.33 C ATOM 1589 OE1 GLU A 103 -11.561 -1.874 -0.875 1.00 31.12 O ATOM 1590 OE2 GLU A 103 -10.522 -2.970 0.703 1.00 72.02 O ATOM 0 H GLU A 103 -9.340 -6.304 -3.205 1.00 41.34 H new ATOM 0 HA GLU A 103 -8.283 -3.645 -3.844 1.00 13.13 H new ATOM 0 HB2 GLU A 103 -10.509 -3.953 -2.801 1.00 12.32 H new ATOM 0 HB3 GLU A 103 -9.788 -4.878 -1.498 1.00 12.32 H new ATOM 0 HG2 GLU A 103 -8.494 -2.848 -0.820 1.00 32.13 H new ATOM 0 HG3 GLU A 103 -9.308 -1.939 -2.077 1.00 32.13 H new ATOM 1597 N VAL A 104 -6.231 -3.638 -2.461 1.00 23.21 N ATOM 1598 CA VAL A 104 -5.042 -3.617 -1.635 1.00 62.13 C ATOM 1599 C VAL A 104 -5.356 -2.824 -0.369 1.00 61.02 C ATOM 1600 O VAL A 104 -5.940 -1.737 -0.422 1.00 54.12 O ATOM 1601 CB VAL A 104 -3.806 -3.001 -2.349 1.00 22.54 C ATOM 1602 CG1 VAL A 104 -3.490 -3.696 -3.672 1.00 3.54 C ATOM 1603 CG2 VAL A 104 -3.983 -1.515 -2.565 1.00 60.03 C ATOM 0 H VAL A 104 -6.285 -2.890 -3.152 1.00 23.21 H new ATOM 0 HA VAL A 104 -4.777 -4.649 -1.406 1.00 62.13 H new ATOM 0 HB VAL A 104 -2.955 -3.160 -1.686 1.00 22.54 H new ATOM 0 HG11 VAL A 104 -2.619 -3.228 -4.130 1.00 3.54 H new ATOM 0 HG12 VAL A 104 -3.281 -4.750 -3.489 1.00 3.54 H new ATOM 0 HG13 VAL A 104 -4.344 -3.607 -4.343 1.00 3.54 H new ATOM 0 HG21 VAL A 104 -3.103 -1.113 -3.066 1.00 60.03 H new ATOM 0 HG22 VAL A 104 -4.864 -1.339 -3.182 1.00 60.03 H new ATOM 0 HG23 VAL A 104 -4.110 -1.020 -1.602 1.00 60.03 H new ATOM 1613 N VAL A 105 -5.009 -3.388 0.765 1.00 11.11 N ATOM 1614 CA VAL A 105 -5.357 -2.795 2.045 1.00 51.24 C ATOM 1615 C VAL A 105 -4.107 -2.550 2.872 1.00 74.01 C ATOM 1616 O VAL A 105 -3.452 -3.496 3.315 1.00 61.01 O ATOM 1617 CB VAL A 105 -6.327 -3.697 2.838 1.00 50.40 C ATOM 1618 CG1 VAL A 105 -6.759 -3.025 4.131 1.00 4.45 C ATOM 1619 CG2 VAL A 105 -7.540 -4.061 1.996 1.00 42.51 C ATOM 0 H VAL A 105 -4.484 -4.260 0.832 1.00 11.11 H new ATOM 0 HA VAL A 105 -5.853 -1.846 1.843 1.00 51.24 H new ATOM 0 HB VAL A 105 -5.798 -4.616 3.091 1.00 50.40 H new ATOM 0 HG11 VAL A 105 -7.442 -3.681 4.671 1.00 4.45 H new ATOM 0 HG12 VAL A 105 -5.883 -2.826 4.748 1.00 4.45 H new ATOM 0 HG13 VAL A 105 -7.263 -2.086 3.902 1.00 4.45 H new ATOM 0 HG21 VAL A 105 -8.208 -4.697 2.577 1.00 42.51 H new ATOM 0 HG22 VAL A 105 -8.066 -3.152 1.704 1.00 42.51 H new ATOM 0 HG23 VAL A 105 -7.216 -4.595 1.103 1.00 42.51 H new ATOM 1629 N VAL A 106 -3.772 -1.285 3.072 1.00 44.33 N ATOM 1630 CA VAL A 106 -2.562 -0.928 3.793 1.00 62.12 C ATOM 1631 C VAL A 106 -2.862 0.061 4.914 1.00 64.11 C ATOM 1632 O VAL A 106 -3.407 1.139 4.673 1.00 12.02 O ATOM 1633 CB VAL A 106 -1.503 -0.308 2.854 1.00 14.33 C ATOM 1634 CG1 VAL A 106 -0.198 -0.067 3.598 1.00 23.11 C ATOM 1635 CG2 VAL A 106 -1.269 -1.189 1.635 1.00 12.35 C ATOM 0 H VAL A 106 -4.321 -0.490 2.745 1.00 44.33 H new ATOM 0 HA VAL A 106 -2.167 -1.851 4.216 1.00 62.12 H new ATOM 0 HB VAL A 106 -1.884 0.653 2.508 1.00 14.33 H new ATOM 0 HG11 VAL A 106 0.533 0.370 2.918 1.00 23.11 H new ATOM 0 HG12 VAL A 106 -0.374 0.616 4.429 1.00 23.11 H new ATOM 0 HG13 VAL A 106 0.183 -1.014 3.981 1.00 23.11 H new ATOM 0 HG21 VAL A 106 -0.519 -0.728 0.992 1.00 12.35 H new ATOM 0 HG22 VAL A 106 -0.918 -2.170 1.957 1.00 12.35 H new ATOM 0 HG23 VAL A 106 -2.202 -1.301 1.082 1.00 12.35 H new ATOM 1645 N ARG A 107 -2.534 -0.327 6.137 1.00 2.21 N ATOM 1646 CA ARG A 107 -2.577 0.588 7.267 1.00 24.25 C ATOM 1647 C ARG A 107 -1.155 0.960 7.687 1.00 44.10 C ATOM 1648 O ARG A 107 -0.408 0.136 8.211 1.00 23.14 O ATOM 1649 CB ARG A 107 -3.391 -0.005 8.436 1.00 51.04 C ATOM 1650 CG ARG A 107 -3.221 -1.509 8.653 1.00 60.31 C ATOM 1651 CD ARG A 107 -2.060 -1.841 9.578 1.00 71.15 C ATOM 1652 NE ARG A 107 -1.916 -3.285 9.780 1.00 11.43 N ATOM 1653 CZ ARG A 107 -1.514 -3.843 10.924 1.00 25.22 C ATOM 1654 NH1 ARG A 107 -1.186 -3.084 11.964 1.00 71.20 N ATOM 1655 NH2 ARG A 107 -1.426 -5.162 11.024 1.00 42.45 N ATOM 0 H ARG A 107 -2.234 -1.273 6.373 1.00 2.21 H new ATOM 0 HA ARG A 107 -3.090 1.501 6.964 1.00 24.25 H new ATOM 0 HB2 ARG A 107 -3.109 0.512 9.353 1.00 51.04 H new ATOM 0 HB3 ARG A 107 -4.447 0.204 8.265 1.00 51.04 H new ATOM 0 HG2 ARG A 107 -4.141 -1.918 9.070 1.00 60.31 H new ATOM 0 HG3 ARG A 107 -3.064 -1.995 7.690 1.00 60.31 H new ATOM 0 HD2 ARG A 107 -1.137 -1.439 9.160 1.00 71.15 H new ATOM 0 HD3 ARG A 107 -2.212 -1.353 10.541 1.00 71.15 H new ATOM 0 HE ARG A 107 -2.137 -3.902 8.998 1.00 11.43 H new ATOM 0 HH11 ARG A 107 -1.241 -2.068 11.891 1.00 71.20 H new ATOM 0 HH12 ARG A 107 -0.880 -3.517 12.835 1.00 71.20 H new ATOM 0 HH21 ARG A 107 -1.666 -5.751 10.226 1.00 42.45 H new ATOM 0 HH22 ARG A 107 -1.119 -5.588 11.898 1.00 42.45 H new ATOM 1669 N LEU A 108 -0.775 2.198 7.417 1.00 20.24 N ATOM 1670 CA LEU A 108 0.585 2.652 7.669 1.00 50.13 C ATOM 1671 C LEU A 108 0.608 3.717 8.758 1.00 55.32 C ATOM 1672 O LEU A 108 -0.292 4.554 8.842 1.00 53.23 O ATOM 1673 CB LEU A 108 1.202 3.198 6.375 1.00 43.10 C ATOM 1674 CG LEU A 108 2.666 3.637 6.471 1.00 31.22 C ATOM 1675 CD1 LEU A 108 3.553 2.472 6.887 1.00 1.25 C ATOM 1676 CD2 LEU A 108 3.135 4.208 5.140 1.00 23.33 C ATOM 0 H LEU A 108 -1.390 2.909 7.022 1.00 20.24 H new ATOM 0 HA LEU A 108 1.175 1.803 8.014 1.00 50.13 H new ATOM 0 HB2 LEU A 108 1.122 2.431 5.604 1.00 43.10 H new ATOM 0 HB3 LEU A 108 0.608 4.049 6.042 1.00 43.10 H new ATOM 0 HG LEU A 108 2.741 4.413 7.232 1.00 31.22 H new ATOM 0 HD11 LEU A 108 4.588 2.807 6.949 1.00 1.25 H new ATOM 0 HD12 LEU A 108 3.233 2.101 7.861 1.00 1.25 H new ATOM 0 HD13 LEU A 108 3.474 1.673 6.150 1.00 1.25 H new ATOM 0 HD21 LEU A 108 4.177 4.516 5.223 1.00 23.33 H new ATOM 0 HD22 LEU A 108 3.042 3.447 4.365 1.00 23.33 H new ATOM 0 HD23 LEU A 108 2.522 5.070 4.878 1.00 23.33 H new ATOM 1688 N THR A 109 1.637 3.675 9.589 1.00 4.41 N ATOM 1689 CA THR A 109 1.782 4.627 10.672 1.00 71.24 C ATOM 1690 C THR A 109 2.652 5.805 10.236 1.00 74.21 C ATOM 1691 O THR A 109 3.612 5.639 9.481 1.00 14.34 O ATOM 1692 CB THR A 109 2.385 3.957 11.932 1.00 3.14 C ATOM 1693 OG1 THR A 109 2.464 4.900 13.010 1.00 73.31 O ATOM 1694 CG2 THR A 109 3.770 3.389 11.649 1.00 14.11 C ATOM 0 H THR A 109 2.387 2.986 9.531 1.00 4.41 H new ATOM 0 HA THR A 109 0.788 4.996 10.926 1.00 71.24 H new ATOM 0 HB THR A 109 1.727 3.136 12.215 1.00 3.14 H new ATOM 0 HG1 THR A 109 2.845 4.463 13.800 1.00 73.31 H new ATOM 0 HG21 THR A 109 4.165 2.926 12.553 1.00 14.11 H new ATOM 0 HG22 THR A 109 3.702 2.642 10.858 1.00 14.11 H new ATOM 0 HG23 THR A 109 4.435 4.192 11.332 1.00 14.11 H new ATOM 1702 N TYR A 110 2.289 6.992 10.692 1.00 3.12 N ATOM 1703 CA TYR A 110 3.043 8.198 10.401 1.00 4.42 C ATOM 1704 C TYR A 110 3.334 8.959 11.685 1.00 51.14 C ATOM 1705 O TYR A 110 2.423 9.483 12.331 1.00 63.11 O ATOM 1706 CB TYR A 110 2.280 9.103 9.430 1.00 51.21 C ATOM 1707 CG TYR A 110 2.304 8.636 7.990 1.00 50.15 C ATOM 1708 CD1 TYR A 110 1.395 7.695 7.523 1.00 55.41 C ATOM 1709 CD2 TYR A 110 3.235 9.148 7.096 1.00 12.23 C ATOM 1710 CE1 TYR A 110 1.410 7.283 6.204 1.00 71.14 C ATOM 1711 CE2 TYR A 110 3.257 8.737 5.776 1.00 52.05 C ATOM 1712 CZ TYR A 110 2.343 7.805 5.336 1.00 52.32 C ATOM 1713 OH TYR A 110 2.353 7.399 4.019 1.00 33.42 O ATOM 0 H TYR A 110 1.465 7.146 11.273 1.00 3.12 H new ATOM 0 HA TYR A 110 3.982 7.902 9.934 1.00 4.42 H new ATOM 0 HB2 TYR A 110 1.243 9.176 9.758 1.00 51.21 H new ATOM 0 HB3 TYR A 110 2.701 10.107 9.481 1.00 51.21 H new ATOM 0 HD1 TYR A 110 0.665 7.279 8.201 1.00 55.41 H new ATOM 0 HD2 TYR A 110 3.953 9.879 7.437 1.00 12.23 H new ATOM 0 HE1 TYR A 110 0.693 6.555 5.855 1.00 71.14 H new ATOM 0 HE2 TYR A 110 3.987 9.145 5.093 1.00 52.05 H new ATOM 0 HH TYR A 110 3.071 7.862 3.539 1.00 33.42 H new ATOM 1782 N GLY A 115 11.225 17.936 14.966 1.00 22.21 N ATOM 1783 CA GLY A 115 10.730 19.081 15.692 1.00 70.43 C ATOM 1784 C GLY A 115 9.759 19.907 14.877 1.00 21.31 C ATOM 1785 O GLY A 115 9.281 19.468 13.827 1.00 75.53 O ATOM 0 HA2 GLY A 115 10.239 18.744 16.605 1.00 70.43 H new ATOM 0 HA3 GLY A 115 11.570 19.707 15.994 1.00 70.43 H new ATOM 1789 N SER A 116 9.488 21.113 15.348 1.00 32.14 N ATOM 1790 CA SER A 116 8.506 21.984 14.722 1.00 31.21 C ATOM 1791 C SER A 116 9.080 22.669 13.480 1.00 63.35 C ATOM 1792 O SER A 116 8.341 23.002 12.551 1.00 5.43 O ATOM 1793 CB SER A 116 8.025 23.026 15.740 1.00 2.13 C ATOM 1794 OG SER A 116 7.012 23.857 15.202 1.00 50.02 O ATOM 0 H SER A 116 9.939 21.514 16.170 1.00 32.14 H new ATOM 0 HA SER A 116 7.660 21.378 14.398 1.00 31.21 H new ATOM 0 HB2 SER A 116 7.646 22.519 16.628 1.00 2.13 H new ATOM 0 HB3 SER A 116 8.868 23.640 16.058 1.00 2.13 H new ATOM 0 HG SER A 116 6.729 24.507 15.878 1.00 50.02 H new ATOM 1800 N ALA A 117 10.401 22.853 13.451 1.00 61.31 N ATOM 1801 CA ALA A 117 11.055 23.565 12.352 1.00 44.24 C ATOM 1802 C ALA A 117 10.781 22.893 11.011 1.00 55.33 C ATOM 1803 O ALA A 117 10.636 23.569 9.988 1.00 12.20 O ATOM 1804 CB ALA A 117 12.552 23.670 12.597 1.00 24.15 C ATOM 0 H ALA A 117 11.038 22.520 14.175 1.00 61.31 H new ATOM 0 HA ALA A 117 10.636 24.570 12.314 1.00 44.24 H new ATOM 0 HB1 ALA A 117 13.020 24.202 11.769 1.00 24.15 H new ATOM 0 HB2 ALA A 117 12.732 24.213 13.525 1.00 24.15 H new ATOM 0 HB3 ALA A 117 12.979 22.670 12.673 1.00 24.15 H new ATOM 1810 N GLY A 118 10.687 21.567 11.027 1.00 73.23 N ATOM 1811 CA GLY A 118 10.426 20.824 9.810 1.00 10.44 C ATOM 1812 C GLY A 118 9.034 21.076 9.267 1.00 24.25 C ATOM 1813 O GLY A 118 8.821 21.066 8.058 1.00 44.11 O ATOM 0 H GLY A 118 10.787 20.993 11.864 1.00 73.23 H new ATOM 0 HA2 GLY A 118 11.163 21.098 9.055 1.00 10.44 H new ATOM 0 HA3 GLY A 118 10.550 19.759 10.004 1.00 10.44 H new ATOM 1817 N ALA A 119 8.088 21.324 10.163 1.00 61.11 N ATOM 1818 CA ALA A 119 6.708 21.564 9.764 1.00 54.14 C ATOM 1819 C ALA A 119 6.537 22.992 9.257 1.00 4.22 C ATOM 1820 O ALA A 119 5.811 23.237 8.293 1.00 63.33 O ATOM 1821 CB ALA A 119 5.762 21.294 10.925 1.00 24.15 C ATOM 0 H ALA A 119 8.251 21.364 11.169 1.00 61.11 H new ATOM 0 HA ALA A 119 6.462 20.879 8.952 1.00 54.14 H new ATOM 0 HB1 ALA A 119 4.735 21.479 10.608 1.00 24.15 H new ATOM 0 HB2 ALA A 119 5.863 20.256 11.243 1.00 24.15 H new ATOM 0 HB3 ALA A 119 6.009 21.954 11.757 1.00 24.15 H new ATOM 1827 N VAL A 120 7.224 23.926 9.908 1.00 60.11 N ATOM 1828 CA VAL A 120 7.150 25.337 9.540 1.00 74.21 C ATOM 1829 C VAL A 120 7.642 25.555 8.113 1.00 22.44 C ATOM 1830 O VAL A 120 6.961 26.182 7.299 1.00 41.22 O ATOM 1831 CB VAL A 120 7.973 26.216 10.509 1.00 43.44 C ATOM 1832 CG1 VAL A 120 7.929 27.681 10.091 1.00 42.33 C ATOM 1833 CG2 VAL A 120 7.468 26.059 11.935 1.00 42.52 C ATOM 0 H VAL A 120 7.841 23.730 10.696 1.00 60.11 H new ATOM 0 HA VAL A 120 6.103 25.632 9.606 1.00 74.21 H new ATOM 0 HB VAL A 120 9.009 25.880 10.467 1.00 43.44 H new ATOM 0 HG11 VAL A 120 8.516 28.277 10.790 1.00 42.33 H new ATOM 0 HG12 VAL A 120 8.343 27.786 9.088 1.00 42.33 H new ATOM 0 HG13 VAL A 120 6.896 28.030 10.096 1.00 42.33 H new ATOM 0 HG21 VAL A 120 8.060 26.686 12.602 1.00 42.52 H new ATOM 0 HG22 VAL A 120 6.422 26.362 11.986 1.00 42.52 H new ATOM 0 HG23 VAL A 120 7.559 25.017 12.241 1.00 42.52 H new ATOM 1843 N ILE A 121 8.817 25.014 7.807 1.00 63.21 N ATOM 1844 CA ILE A 121 9.405 25.182 6.486 1.00 61.40 C ATOM 1845 C ILE A 121 8.557 24.482 5.420 1.00 70.11 C ATOM 1846 O ILE A 121 8.422 24.976 4.300 1.00 10.34 O ATOM 1847 CB ILE A 121 10.869 24.664 6.439 1.00 4.24 C ATOM 1848 CG1 ILE A 121 11.512 24.973 5.082 1.00 3.35 C ATOM 1849 CG2 ILE A 121 10.937 23.171 6.729 1.00 64.15 C ATOM 1850 CD1 ILE A 121 11.645 26.453 4.789 1.00 32.25 C ATOM 0 H ILE A 121 9.377 24.458 8.453 1.00 63.21 H new ATOM 0 HA ILE A 121 9.423 26.251 6.272 1.00 61.40 H new ATOM 0 HB ILE A 121 11.428 25.185 7.216 1.00 4.24 H new ATOM 0 HG12 ILE A 121 12.501 24.515 5.047 1.00 3.35 H new ATOM 0 HG13 ILE A 121 10.918 24.509 4.295 1.00 3.35 H new ATOM 0 HG21 ILE A 121 11.975 22.839 6.689 1.00 64.15 H new ATOM 0 HG22 ILE A 121 10.532 22.974 7.721 1.00 64.15 H new ATOM 0 HG23 ILE A 121 10.354 22.629 5.985 1.00 64.15 H new ATOM 0 HD11 ILE A 121 12.108 26.590 3.812 1.00 32.25 H new ATOM 0 HD12 ILE A 121 10.657 26.914 4.790 1.00 32.25 H new ATOM 0 HD13 ILE A 121 12.265 26.921 5.554 1.00 32.25 H new ATOM 1862 N ALA A 122 7.950 23.359 5.790 1.00 33.54 N ATOM 1863 CA ALA A 122 7.131 22.587 4.864 1.00 1.31 C ATOM 1864 C ALA A 122 5.880 23.360 4.458 1.00 44.31 C ATOM 1865 O ALA A 122 5.447 23.300 3.305 1.00 4.31 O ATOM 1866 CB ALA A 122 6.747 21.250 5.483 1.00 50.42 C ATOM 0 H ALA A 122 8.011 22.963 6.728 1.00 33.54 H new ATOM 0 HA ALA A 122 7.722 22.404 3.966 1.00 1.31 H new ATOM 0 HB1 ALA A 122 6.136 20.685 4.779 1.00 50.42 H new ATOM 0 HB2 ALA A 122 7.649 20.684 5.715 1.00 50.42 H new ATOM 0 HB3 ALA A 122 6.181 21.422 6.398 1.00 50.42 H new ATOM 1872 N ARG A 123 5.311 24.098 5.404 1.00 2.32 N ATOM 1873 CA ARG A 123 4.095 24.855 5.143 1.00 23.11 C ATOM 1874 C ARG A 123 4.365 26.004 4.175 1.00 64.13 C ATOM 1875 O ARG A 123 3.643 26.181 3.195 1.00 35.11 O ATOM 1876 CB ARG A 123 3.500 25.401 6.445 1.00 21.12 C ATOM 1877 CG ARG A 123 2.130 26.031 6.246 1.00 32.52 C ATOM 1878 CD ARG A 123 1.558 26.600 7.535 1.00 0.00 C ATOM 1879 NE ARG A 123 2.298 27.773 8.012 1.00 12.22 N ATOM 1880 CZ ARG A 123 2.058 29.022 7.605 1.00 15.15 C ATOM 1881 NH1 ARG A 123 1.154 29.256 6.655 1.00 23.12 N ATOM 1882 NH2 ARG A 123 2.728 30.037 8.143 1.00 3.13 N ATOM 0 H ARG A 123 5.671 24.188 6.354 1.00 2.32 H new ATOM 0 HA ARG A 123 3.375 24.175 4.687 1.00 23.11 H new ATOM 0 HB2 ARG A 123 3.421 24.592 7.171 1.00 21.12 H new ATOM 0 HB3 ARG A 123 4.178 26.143 6.867 1.00 21.12 H new ATOM 0 HG2 ARG A 123 2.203 26.825 5.503 1.00 32.52 H new ATOM 0 HG3 ARG A 123 1.444 25.284 5.847 1.00 32.52 H new ATOM 0 HD2 ARG A 123 0.515 26.873 7.376 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.571 25.829 8.305 1.00 0.00 H new ATOM 0 HE ARG A 123 3.041 27.626 8.696 1.00 12.22 H new ATOM 0 HH11 ARG A 123 0.642 28.480 6.236 1.00 23.12 H new ATOM 0 HH12 ARG A 123 0.974 30.211 6.347 1.00 23.12 H new ATOM 0 HH21 ARG A 123 3.425 29.861 8.867 1.00 3.13 H new ATOM 0 HH22 ARG A 123 2.545 30.991 7.832 1.00 3.13 H new ATOM 1896 N MET A 124 5.418 26.768 4.443 1.00 34.22 N ATOM 1897 CA MET A 124 5.743 27.933 3.622 1.00 30.10 C ATOM 1898 C MET A 124 6.265 27.512 2.250 1.00 65.12 C ATOM 1899 O MET A 124 6.104 28.236 1.265 1.00 12.13 O ATOM 1900 CB MET A 124 6.764 28.836 4.327 1.00 30.32 C ATOM 1901 CG MET A 124 8.087 28.155 4.641 1.00 43.22 C ATOM 1902 SD MET A 124 9.257 29.249 5.466 1.00 3.31 S ATOM 1903 CE MET A 124 9.533 30.476 4.190 1.00 71.05 C ATOM 0 H MET A 124 6.060 26.604 5.219 1.00 34.22 H new ATOM 0 HA MET A 124 4.823 28.500 3.478 1.00 30.10 H new ATOM 0 HB2 MET A 124 6.956 29.707 3.700 1.00 30.32 H new ATOM 0 HB3 MET A 124 6.327 29.203 5.256 1.00 30.32 H new ATOM 0 HG2 MET A 124 7.902 27.286 5.272 1.00 43.22 H new ATOM 0 HG3 MET A 124 8.530 27.788 3.715 1.00 43.22 H new ATOM 0 HE1 MET A 124 10.466 31.004 4.388 1.00 71.05 H new ATOM 0 HE2 MET A 124 9.594 29.984 3.219 1.00 71.05 H new ATOM 0 HE3 MET A 124 8.708 31.188 4.185 1.00 71.05 H new ATOM 2057 N ARG A 134 -4.629 10.045 -0.437 1.00 13.34 N ATOM 2058 CA ARG A 134 -5.340 9.003 -1.156 1.00 44.22 C ATOM 2059 C ARG A 134 -5.257 9.263 -2.657 1.00 41.34 C ATOM 2060 O ARG A 134 -5.543 8.385 -3.469 1.00 1.24 O ATOM 2061 CB ARG A 134 -6.796 8.919 -0.688 1.00 73.24 C ATOM 2062 CG ARG A 134 -7.697 10.025 -1.216 1.00 5.20 C ATOM 2063 CD ARG A 134 -9.009 10.085 -0.448 1.00 43.04 C ATOM 2064 NE ARG A 134 -9.491 8.756 -0.069 1.00 30.04 N ATOM 2065 CZ ARG A 134 -10.759 8.469 0.214 1.00 54.21 C ATOM 2066 NH1 ARG A 134 -11.710 9.385 0.076 1.00 50.50 N ATOM 2067 NH2 ARG A 134 -11.078 7.253 0.626 1.00 35.34 N ATOM 0 HA ARG A 134 -4.871 8.042 -0.945 1.00 44.22 H new ATOM 0 HB2 ARG A 134 -7.207 7.957 -0.994 1.00 73.24 H new ATOM 0 HB3 ARG A 134 -6.815 8.942 0.402 1.00 73.24 H new ATOM 0 HG2 ARG A 134 -7.184 10.983 -1.138 1.00 5.20 H new ATOM 0 HG3 ARG A 134 -7.900 9.857 -2.274 1.00 5.20 H new ATOM 0 HD2 ARG A 134 -8.875 10.690 0.449 1.00 43.04 H new ATOM 0 HD3 ARG A 134 -9.763 10.582 -1.059 1.00 43.04 H new ATOM 0 HE ARG A 134 -8.809 7.999 -0.018 1.00 30.04 H new ATOM 0 HH11 ARG A 134 -11.472 10.322 -0.250 1.00 50.50 H new ATOM 0 HH12 ARG A 134 -12.678 9.152 0.296 1.00 50.50 H new ATOM 0 HH21 ARG A 134 -10.354 6.542 0.725 1.00 35.34 H new ATOM 0 HH22 ARG A 134 -12.048 7.027 0.845 1.00 35.34 H new ATOM 2081 N ASP A 135 -4.837 10.478 -3.009 1.00 22.44 N ATOM 2082 CA ASP A 135 -4.659 10.866 -4.406 1.00 41.22 C ATOM 2083 C ASP A 135 -3.624 9.978 -5.076 1.00 23.13 C ATOM 2084 O ASP A 135 -3.906 9.339 -6.086 1.00 2.11 O ATOM 2085 CB ASP A 135 -4.219 12.329 -4.515 1.00 54.41 C ATOM 2086 CG ASP A 135 -5.310 13.306 -4.124 1.00 22.52 C ATOM 2087 OD1 ASP A 135 -5.558 13.471 -2.909 1.00 11.22 O ATOM 2088 OD2 ASP A 135 -5.921 13.915 -5.029 1.00 12.11 O ATOM 0 H ASP A 135 -4.613 11.214 -2.340 1.00 22.44 H new ATOM 0 HA ASP A 135 -5.618 10.747 -4.909 1.00 41.22 H new ATOM 0 HB2 ASP A 135 -3.349 12.490 -3.878 1.00 54.41 H new ATOM 0 HB3 ASP A 135 -3.906 12.533 -5.539 1.00 54.41 H new ATOM 2093 N ASP A 136 -2.434 9.921 -4.490 1.00 34.23 N ATOM 2094 CA ASP A 136 -1.343 9.111 -5.031 1.00 40.12 C ATOM 2095 C ASP A 136 -1.687 7.628 -4.938 1.00 52.31 C ATOM 2096 O ASP A 136 -1.283 6.824 -5.784 1.00 60.32 O ATOM 2097 CB ASP A 136 -0.038 9.402 -4.284 1.00 12.42 C ATOM 2098 CG ASP A 136 1.163 8.727 -4.919 1.00 4.43 C ATOM 2099 OD1 ASP A 136 1.715 9.287 -5.889 1.00 51.04 O ATOM 2100 OD2 ASP A 136 1.571 7.646 -4.449 1.00 25.34 O ATOM 0 H ASP A 136 -2.197 10.427 -3.637 1.00 34.23 H new ATOM 0 HA ASP A 136 -1.207 9.372 -6.080 1.00 40.12 H new ATOM 0 HB2 ASP A 136 0.128 10.479 -4.257 1.00 12.42 H new ATOM 0 HB3 ASP A 136 -0.133 9.068 -3.251 1.00 12.42 H new ATOM 2105 N LEU A 137 -2.464 7.281 -3.916 1.00 34.24 N ATOM 2106 CA LEU A 137 -2.886 5.907 -3.693 1.00 31.34 C ATOM 2107 C LEU A 137 -3.788 5.441 -4.835 1.00 72.45 C ATOM 2108 O LEU A 137 -3.575 4.376 -5.412 1.00 63.12 O ATOM 2109 CB LEU A 137 -3.614 5.799 -2.343 1.00 51.23 C ATOM 2110 CG LEU A 137 -4.011 4.386 -1.904 1.00 70.14 C ATOM 2111 CD1 LEU A 137 -2.785 3.500 -1.769 1.00 22.25 C ATOM 2112 CD2 LEU A 137 -4.771 4.432 -0.584 1.00 62.34 C ATOM 0 H LEU A 137 -2.816 7.943 -3.224 1.00 34.24 H new ATOM 0 HA LEU A 137 -2.008 5.261 -3.667 1.00 31.34 H new ATOM 0 HB2 LEU A 137 -2.975 6.231 -1.573 1.00 51.23 H new ATOM 0 HB3 LEU A 137 -4.515 6.410 -2.389 1.00 51.23 H new ATOM 0 HG LEU A 137 -4.661 3.963 -2.670 1.00 70.14 H new ATOM 0 HD11 LEU A 137 -3.090 2.501 -1.456 1.00 22.25 H new ATOM 0 HD12 LEU A 137 -2.273 3.439 -2.729 1.00 22.25 H new ATOM 0 HD13 LEU A 137 -2.111 3.923 -1.024 1.00 22.25 H new ATOM 0 HD21 LEU A 137 -5.045 3.420 -0.287 1.00 62.34 H new ATOM 0 HD22 LEU A 137 -4.139 4.877 0.184 1.00 62.34 H new ATOM 0 HD23 LEU A 137 -5.673 5.032 -0.704 1.00 62.34 H new ATOM 2124 N MET A 138 -4.775 6.258 -5.181 1.00 1.42 N ATOM 2125 CA MET A 138 -5.699 5.925 -6.260 1.00 52.12 C ATOM 2126 C MET A 138 -5.028 6.107 -7.621 1.00 21.54 C ATOM 2127 O MET A 138 -5.282 5.340 -8.553 1.00 13.24 O ATOM 2128 CB MET A 138 -6.960 6.794 -6.171 1.00 32.52 C ATOM 2129 CG MET A 138 -8.049 6.439 -7.183 1.00 74.54 C ATOM 2130 SD MET A 138 -8.939 4.913 -6.783 1.00 61.01 S ATOM 2131 CE MET A 138 -7.771 3.651 -7.287 1.00 61.02 C ATOM 0 H MET A 138 -4.957 7.155 -4.731 1.00 1.42 H new ATOM 0 HA MET A 138 -5.986 4.879 -6.154 1.00 52.12 H new ATOM 0 HB2 MET A 138 -7.374 6.709 -5.166 1.00 32.52 H new ATOM 0 HB3 MET A 138 -6.677 7.837 -6.312 1.00 32.52 H new ATOM 0 HG2 MET A 138 -8.762 7.261 -7.241 1.00 74.54 H new ATOM 0 HG3 MET A 138 -7.598 6.339 -8.170 1.00 74.54 H new ATOM 0 HE1 MET A 138 -8.307 2.824 -7.753 1.00 61.02 H new ATOM 0 HE2 MET A 138 -7.064 4.074 -8.001 1.00 61.02 H new ATOM 0 HE3 MET A 138 -7.230 3.287 -6.414 1.00 61.02 H new ATOM 2141 N ARG A 139 -4.159 7.116 -7.714 1.00 61.40 N ATOM 2142 CA ARG A 139 -3.462 7.446 -8.960 1.00 3.33 C ATOM 2143 C ARG A 139 -2.762 6.220 -9.540 1.00 41.44 C ATOM 2144 O ARG A 139 -2.995 5.846 -10.689 1.00 62.24 O ATOM 2145 CB ARG A 139 -2.431 8.557 -8.704 1.00 33.34 C ATOM 2146 CG ARG A 139 -1.811 9.135 -9.969 1.00 73.10 C ATOM 2147 CD ARG A 139 -0.291 8.984 -9.987 1.00 63.12 C ATOM 2148 NE ARG A 139 0.358 9.586 -8.817 1.00 73.51 N ATOM 2149 CZ ARG A 139 1.015 10.751 -8.837 1.00 52.15 C ATOM 2150 NH1 ARG A 139 1.041 11.493 -9.937 1.00 51.03 N ATOM 2151 NH2 ARG A 139 1.644 11.178 -7.751 1.00 60.15 N ATOM 0 H ARG A 139 -3.919 7.725 -6.932 1.00 61.40 H new ATOM 0 HA ARG A 139 -4.202 7.792 -9.681 1.00 3.33 H new ATOM 0 HB2 ARG A 139 -2.911 9.362 -8.147 1.00 33.34 H new ATOM 0 HB3 ARG A 139 -1.637 8.162 -8.071 1.00 33.34 H new ATOM 0 HG2 ARG A 139 -2.234 8.635 -10.840 1.00 73.10 H new ATOM 0 HG3 ARG A 139 -2.071 10.191 -10.049 1.00 73.10 H new ATOM 0 HD2 ARG A 139 -0.037 7.925 -10.032 1.00 63.12 H new ATOM 0 HD3 ARG A 139 0.104 9.445 -10.892 1.00 63.12 H new ATOM 0 HE ARG A 139 0.305 9.084 -7.931 1.00 73.51 H new ATOM 0 HH11 ARG A 139 0.557 11.176 -10.777 1.00 51.03 H new ATOM 0 HH12 ARG A 139 1.545 12.380 -9.942 1.00 51.03 H new ATOM 0 HH21 ARG A 139 1.627 10.618 -6.899 1.00 60.15 H new ATOM 0 HH22 ARG A 139 2.145 12.067 -7.768 1.00 60.15 H new ATOM 2165 N PHE A 140 -1.923 5.596 -8.726 1.00 11.35 N ATOM 2166 CA PHE A 140 -1.139 4.448 -9.154 1.00 40.53 C ATOM 2167 C PHE A 140 -2.022 3.234 -9.426 1.00 60.34 C ATOM 2168 O PHE A 140 -1.876 2.567 -10.447 1.00 52.32 O ATOM 2169 CB PHE A 140 -0.092 4.113 -8.087 1.00 52.10 C ATOM 2170 CG PHE A 140 0.572 2.780 -8.280 1.00 33.52 C ATOM 2171 CD1 PHE A 140 1.520 2.598 -9.271 1.00 11.25 C ATOM 2172 CD2 PHE A 140 0.245 1.707 -7.465 1.00 53.41 C ATOM 2173 CE1 PHE A 140 2.129 1.371 -9.445 1.00 21.54 C ATOM 2174 CE2 PHE A 140 0.850 0.482 -7.636 1.00 32.34 C ATOM 2175 CZ PHE A 140 1.792 0.315 -8.627 1.00 65.31 C ATOM 0 H PHE A 140 -1.767 5.870 -7.756 1.00 11.35 H new ATOM 0 HA PHE A 140 -0.640 4.707 -10.088 1.00 40.53 H new ATOM 0 HB2 PHE A 140 0.672 4.891 -8.085 1.00 52.10 H new ATOM 0 HB3 PHE A 140 -0.568 4.132 -7.107 1.00 52.10 H new ATOM 0 HD1 PHE A 140 1.786 3.423 -9.915 1.00 11.25 H new ATOM 0 HD2 PHE A 140 -0.493 1.834 -6.687 1.00 53.41 H new ATOM 0 HE1 PHE A 140 2.868 1.239 -10.221 1.00 21.54 H new ATOM 0 HE2 PHE A 140 0.587 -0.346 -6.995 1.00 32.34 H new ATOM 0 HZ PHE A 140 2.267 -0.645 -8.763 1.00 65.31 H new ATOM 2185 N LYS A 141 -2.944 2.958 -8.516 1.00 54.35 N ATOM 2186 CA LYS A 141 -3.759 1.750 -8.599 1.00 24.32 C ATOM 2187 C LYS A 141 -4.663 1.755 -9.830 1.00 13.14 C ATOM 2188 O LYS A 141 -4.901 0.707 -10.432 1.00 73.13 O ATOM 2189 CB LYS A 141 -4.587 1.571 -7.326 1.00 44.03 C ATOM 2190 CG LYS A 141 -3.844 0.862 -6.196 1.00 13.03 C ATOM 2191 CD LYS A 141 -2.581 1.598 -5.773 1.00 4.04 C ATOM 2192 CE LYS A 141 -1.981 1.013 -4.502 1.00 22.24 C ATOM 2193 NZ LYS A 141 -0.671 1.634 -4.162 1.00 2.23 N ATOM 0 H LYS A 141 -3.148 3.551 -7.712 1.00 54.35 H new ATOM 0 HA LYS A 141 -3.078 0.905 -8.698 1.00 24.32 H new ATOM 0 HB2 LYS A 141 -4.911 2.551 -6.975 1.00 44.03 H new ATOM 0 HB3 LYS A 141 -5.487 1.005 -7.567 1.00 44.03 H new ATOM 0 HG2 LYS A 141 -4.507 0.763 -5.337 1.00 13.03 H new ATOM 0 HG3 LYS A 141 -3.582 -0.147 -6.515 1.00 13.03 H new ATOM 0 HD2 LYS A 141 -1.846 1.550 -6.577 1.00 4.04 H new ATOM 0 HD3 LYS A 141 -2.811 2.652 -5.614 1.00 4.04 H new ATOM 0 HE2 LYS A 141 -2.675 1.157 -3.674 1.00 22.24 H new ATOM 0 HE3 LYS A 141 -1.851 -0.062 -4.625 1.00 22.24 H new ATOM 0 HZ1 LYS A 141 -0.340 1.267 -3.247 1.00 2.23 H new ATOM 0 HZ2 LYS A 141 0.025 1.403 -4.900 1.00 2.23 H new ATOM 0 HZ3 LYS A 141 -0.781 2.666 -4.102 1.00 2.23 H new ATOM 2207 N ARG A 142 -5.156 2.929 -10.210 1.00 32.22 N ATOM 2208 CA ARG A 142 -5.990 3.049 -11.404 1.00 32.44 C ATOM 2209 C ARG A 142 -5.193 2.746 -12.670 1.00 52.24 C ATOM 2210 O ARG A 142 -5.740 2.239 -13.648 1.00 20.00 O ATOM 2211 CB ARG A 142 -6.612 4.443 -11.495 1.00 64.11 C ATOM 2212 CG ARG A 142 -7.988 4.539 -10.856 1.00 33.41 C ATOM 2213 CD ARG A 142 -8.972 3.590 -11.525 1.00 0.10 C ATOM 2214 NE ARG A 142 -10.324 3.709 -10.979 1.00 21.13 N ATOM 2215 CZ ARG A 142 -11.349 2.948 -11.365 1.00 64.45 C ATOM 2216 NH1 ARG A 142 -11.165 1.984 -12.252 1.00 23.14 N ATOM 2217 NH2 ARG A 142 -12.556 3.138 -10.849 1.00 23.22 N ATOM 0 H ARG A 142 -4.995 3.806 -9.714 1.00 32.22 H new ATOM 0 HA ARG A 142 -6.790 2.313 -11.320 1.00 32.44 H new ATOM 0 HB2 ARG A 142 -5.947 5.160 -11.015 1.00 64.11 H new ATOM 0 HB3 ARG A 142 -6.687 4.730 -12.544 1.00 64.11 H new ATOM 0 HG2 ARG A 142 -7.916 4.304 -9.794 1.00 33.41 H new ATOM 0 HG3 ARG A 142 -8.357 5.562 -10.931 1.00 33.41 H new ATOM 0 HD2 ARG A 142 -8.997 3.793 -12.596 1.00 0.10 H new ATOM 0 HD3 ARG A 142 -8.623 2.565 -11.403 1.00 0.10 H new ATOM 0 HE ARG A 142 -10.492 4.415 -10.262 1.00 21.13 H new ATOM 0 HH11 ARG A 142 -10.237 1.821 -12.643 1.00 23.14 H new ATOM 0 HH12 ARG A 142 -11.951 1.404 -12.545 1.00 23.14 H new ATOM 0 HH21 ARG A 142 -12.704 3.869 -10.153 1.00 23.22 H new ATOM 0 HH22 ARG A 142 -13.336 2.553 -11.148 1.00 23.22 H new ATOM 2231 N GLU A 143 -3.906 3.062 -12.650 1.00 0.14 N ATOM 2232 CA GLU A 143 -3.031 2.759 -13.775 1.00 54.43 C ATOM 2233 C GLU A 143 -2.610 1.292 -13.743 1.00 34.20 C ATOM 2234 O GLU A 143 -2.485 0.647 -14.783 1.00 22.02 O ATOM 2235 CB GLU A 143 -1.807 3.676 -13.748 1.00 31.14 C ATOM 2236 CG GLU A 143 -2.158 5.142 -13.961 1.00 21.14 C ATOM 2237 CD GLU A 143 -0.966 6.073 -13.828 1.00 31.24 C ATOM 2238 OE1 GLU A 143 0.129 5.729 -14.324 1.00 75.15 O ATOM 2239 OE2 GLU A 143 -1.128 7.161 -13.236 1.00 41.33 O ATOM 0 H GLU A 143 -3.444 3.527 -11.869 1.00 0.14 H new ATOM 0 HA GLU A 143 -3.575 2.935 -14.703 1.00 54.43 H new ATOM 0 HB2 GLU A 143 -1.298 3.565 -12.791 1.00 31.14 H new ATOM 0 HB3 GLU A 143 -1.106 3.360 -14.520 1.00 31.14 H new ATOM 0 HG2 GLU A 143 -2.595 5.263 -14.952 1.00 21.14 H new ATOM 0 HG3 GLU A 143 -2.920 5.434 -13.239 1.00 21.14 H new ATOM 2246 N GLN A 144 -2.416 0.772 -12.538 1.00 34.23 N ATOM 2247 CA GLN A 144 -2.034 -0.623 -12.347 1.00 45.41 C ATOM 2248 C GLN A 144 -3.070 -1.575 -12.944 1.00 23.21 C ATOM 2249 O GLN A 144 -2.719 -2.542 -13.620 1.00 64.02 O ATOM 2250 CB GLN A 144 -1.839 -0.915 -10.853 1.00 32.45 C ATOM 2251 CG GLN A 144 -1.659 -2.394 -10.520 1.00 72.13 C ATOM 2252 CD GLN A 144 -0.386 -3.002 -11.086 1.00 31.41 C ATOM 2253 OE1 GLN A 144 0.124 -2.579 -12.120 1.00 31.43 O ATOM 2254 NE2 GLN A 144 0.135 -4.008 -10.400 1.00 12.53 N ATOM 0 H GLN A 144 -2.518 1.300 -11.671 1.00 34.23 H new ATOM 0 HA GLN A 144 -1.092 -0.789 -12.871 1.00 45.41 H new ATOM 0 HB2 GLN A 144 -0.967 -0.366 -10.498 1.00 32.45 H new ATOM 0 HB3 GLN A 144 -2.700 -0.533 -10.305 1.00 32.45 H new ATOM 0 HG2 GLN A 144 -1.657 -2.515 -9.437 1.00 72.13 H new ATOM 0 HG3 GLN A 144 -2.516 -2.949 -10.901 1.00 72.13 H new ATOM 0 HE21 GLN A 144 -0.318 -4.331 -9.545 1.00 12.53 H new ATOM 0 HE22 GLN A 144 0.989 -4.460 -10.726 1.00 12.53 H new ATOM 2263 N GLU A 145 -4.348 -1.298 -12.713 1.00 72.52 N ATOM 2264 CA GLU A 145 -5.399 -2.173 -13.218 1.00 53.03 C ATOM 2265 C GLU A 145 -5.558 -2.032 -14.728 1.00 12.14 C ATOM 2266 O GLU A 145 -6.189 -2.870 -15.373 1.00 64.32 O ATOM 2267 CB GLU A 145 -6.734 -1.902 -12.525 1.00 42.21 C ATOM 2268 CG GLU A 145 -7.280 -0.503 -12.734 1.00 1.32 C ATOM 2269 CD GLU A 145 -8.748 -0.409 -12.379 1.00 54.23 C ATOM 2270 OE1 GLU A 145 -9.119 -0.795 -11.254 1.00 54.03 O ATOM 2271 OE2 GLU A 145 -9.540 0.040 -13.229 1.00 31.04 O ATOM 0 H GLU A 145 -4.678 -0.488 -12.188 1.00 72.52 H new ATOM 0 HA GLU A 145 -5.097 -3.196 -12.994 1.00 53.03 H new ATOM 0 HB2 GLU A 145 -7.468 -2.622 -12.885 1.00 42.21 H new ATOM 0 HB3 GLU A 145 -6.615 -2.076 -11.455 1.00 42.21 H new ATOM 0 HG2 GLU A 145 -6.714 0.202 -12.125 1.00 1.32 H new ATOM 0 HG3 GLU A 145 -7.139 -0.210 -13.774 1.00 1.32 H new ATOM 2278 N LEU A 146 -4.980 -0.976 -15.288 1.00 21.22 N ATOM 2279 CA LEU A 146 -5.012 -0.766 -16.727 1.00 44.21 C ATOM 2280 C LEU A 146 -4.036 -1.728 -17.400 1.00 25.14 C ATOM 2281 O LEU A 146 -4.202 -2.092 -18.566 1.00 51.21 O ATOM 2282 CB LEU A 146 -4.651 0.685 -17.066 1.00 42.21 C ATOM 2283 CG LEU A 146 -5.628 1.409 -17.999 1.00 63.52 C ATOM 2284 CD1 LEU A 146 -5.671 0.741 -19.364 1.00 52.20 C ATOM 2285 CD2 LEU A 146 -7.016 1.445 -17.382 1.00 14.34 C ATOM 0 H LEU A 146 -4.484 -0.253 -14.766 1.00 21.22 H new ATOM 0 HA LEU A 146 -6.020 -0.959 -17.095 1.00 44.21 H new ATOM 0 HB2 LEU A 146 -4.578 1.249 -16.136 1.00 42.21 H new ATOM 0 HB3 LEU A 146 -3.662 0.697 -17.524 1.00 42.21 H new ATOM 0 HG LEU A 146 -5.277 2.432 -18.134 1.00 63.52 H new ATOM 0 HD11 LEU A 146 -6.371 1.273 -20.008 1.00 52.20 H new ATOM 0 HD12 LEU A 146 -4.677 0.764 -19.812 1.00 52.20 H new ATOM 0 HD13 LEU A 146 -5.995 -0.294 -19.253 1.00 52.20 H new ATOM 0 HD21 LEU A 146 -7.700 1.962 -18.055 1.00 14.34 H new ATOM 0 HD22 LEU A 146 -7.368 0.426 -17.219 1.00 14.34 H new ATOM 0 HD23 LEU A 146 -6.977 1.972 -16.429 1.00 14.34 H new ATOM 2297 N GLY A 147 -3.025 -2.141 -16.647 1.00 14.22 N ATOM 2298 CA GLY A 147 -2.071 -3.109 -17.145 1.00 33.40 C ATOM 2299 C GLY A 147 -0.645 -2.748 -16.793 1.00 11.31 C ATOM 2300 O GLY A 147 0.124 -3.593 -16.337 1.00 41.11 O ATOM 0 H GLY A 147 -2.849 -1.820 -15.695 1.00 14.22 H new ATOM 0 HA2 GLY A 147 -2.306 -4.091 -16.734 1.00 33.40 H new ATOM 0 HA3 GLY A 147 -2.167 -3.185 -18.228 1.00 33.40 H new