USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 593 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 175 TYR OH : rot 16:sc= 0.307 USER MOD Single : A 176 LYS NZ :NH3+ -168:sc= -0.015 (180deg=-0.154) USER MOD Single : A 191 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 194 TYR OH : rot -67:sc= 0.185 USER MOD Single : A 196 THR OG1 : rot 180:sc= 0.00725 USER MOD Single : A 209 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 213 MET CE :methyl -115:sc= -0.232 (180deg=-2.03!) USER MOD Single : A 214 THR OG1 : rot -52:sc= 1.09 USER MOD Single : A 227 THR OG1 : rot 93:sc= 0.775 USER MOD Single : A 228 GLN : amide:sc= 0.611 K(o=0.61,f=-6.6!) USER MOD Single : A 232 LYS NZ :NH3+ 155:sc= 0.727 (180deg=0.388) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 238 LYS NZ :NH3+ 174:sc= 0.465 (180deg=0.406) USER MOD Single : A 250 TYR OH : rot 42:sc= -0.953 USER MOD Single : A 256 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 32 N ASP A 169 -6.509 13.086 0.022 1.00 70.12 N ATOM 33 CA ASP A 169 -5.041 13.058 -0.157 1.00 75.32 C ATOM 34 C ASP A 169 -4.631 11.813 -0.958 1.00 53.44 C ATOM 35 O ASP A 169 -3.940 11.916 -1.968 1.00 75.44 O ATOM 36 CB ASP A 169 -4.309 13.087 1.212 1.00 60.43 C ATOM 37 CG ASP A 169 -2.768 12.964 1.091 1.00 20.22 C ATOM 38 OD1 ASP A 169 -2.093 13.977 0.801 1.00 2.13 O ATOM 39 OD2 ASP A 169 -2.225 11.857 1.271 1.00 52.35 O ATOM 0 HA ASP A 169 -4.748 13.949 -0.712 1.00 75.32 H new ATOM 0 HB2 ASP A 169 -4.552 14.017 1.726 1.00 60.43 H new ATOM 0 HB3 ASP A 169 -4.683 12.273 1.833 1.00 60.43 H new ATOM 44 N VAL A 170 -5.123 10.648 -0.515 1.00 34.54 N ATOM 45 CA VAL A 170 -4.876 9.352 -1.172 1.00 41.42 C ATOM 46 C VAL A 170 -6.177 8.794 -1.766 1.00 61.00 C ATOM 47 O VAL A 170 -7.284 9.201 -1.370 1.00 5.14 O ATOM 48 CB VAL A 170 -4.249 8.308 -0.178 1.00 63.42 C ATOM 49 CG1 VAL A 170 -2.874 8.779 0.307 1.00 62.54 C ATOM 50 CG2 VAL A 170 -5.171 8.014 1.024 1.00 31.34 C ATOM 0 H VAL A 170 -5.709 10.575 0.317 1.00 34.54 H new ATOM 0 HA VAL A 170 -4.160 9.524 -1.975 1.00 41.42 H new ATOM 0 HB VAL A 170 -4.131 7.376 -0.731 1.00 63.42 H new ATOM 0 HG11 VAL A 170 -2.458 8.042 0.994 1.00 62.54 H new ATOM 0 HG12 VAL A 170 -2.207 8.896 -0.547 1.00 62.54 H new ATOM 0 HG13 VAL A 170 -2.977 9.735 0.820 1.00 62.54 H new ATOM 0 HG21 VAL A 170 -4.692 7.287 1.680 1.00 31.34 H new ATOM 0 HG22 VAL A 170 -5.355 8.936 1.576 1.00 31.34 H new ATOM 0 HG23 VAL A 170 -6.118 7.611 0.666 1.00 31.34 H new ATOM 60 N ILE A 171 -6.037 7.897 -2.754 1.00 21.12 N ATOM 61 CA ILE A 171 -7.152 7.069 -3.232 1.00 4.21 C ATOM 62 C ILE A 171 -7.299 5.885 -2.255 1.00 34.30 C ATOM 63 O ILE A 171 -6.295 5.444 -1.660 1.00 31.30 O ATOM 64 CB ILE A 171 -6.943 6.581 -4.724 1.00 60.11 C ATOM 65 CG1 ILE A 171 -8.192 5.799 -5.254 1.00 54.40 C ATOM 66 CG2 ILE A 171 -5.653 5.738 -4.877 1.00 73.32 C ATOM 67 CD1 ILE A 171 -8.116 5.379 -6.714 1.00 12.23 C ATOM 0 H ILE A 171 -5.156 7.727 -3.239 1.00 21.12 H new ATOM 0 HA ILE A 171 -8.068 7.659 -3.251 1.00 4.21 H new ATOM 0 HB ILE A 171 -6.826 7.474 -5.337 1.00 60.11 H new ATOM 0 HG12 ILE A 171 -8.330 4.908 -4.642 1.00 54.40 H new ATOM 0 HG13 ILE A 171 -9.077 6.421 -5.116 1.00 54.40 H new ATOM 0 HG21 ILE A 171 -5.546 5.422 -5.915 1.00 73.32 H new ATOM 0 HG22 ILE A 171 -4.790 6.338 -4.589 1.00 73.32 H new ATOM 0 HG23 ILE A 171 -5.714 4.859 -4.235 1.00 73.32 H new ATOM 0 HD11 ILE A 171 -9.026 4.845 -6.987 1.00 12.23 H new ATOM 0 HD12 ILE A 171 -8.013 6.264 -7.342 1.00 12.23 H new ATOM 0 HD13 ILE A 171 -7.255 4.727 -6.861 1.00 12.23 H new ATOM 79 N ASP A 172 -8.544 5.422 -2.056 1.00 22.44 N ATOM 80 CA ASP A 172 -8.855 4.322 -1.134 1.00 20.42 C ATOM 81 C ASP A 172 -8.068 3.051 -1.514 1.00 75.31 C ATOM 82 O ASP A 172 -8.136 2.585 -2.660 1.00 14.13 O ATOM 83 CB ASP A 172 -10.383 4.039 -1.114 1.00 74.21 C ATOM 84 CG ASP A 172 -10.755 2.815 -0.254 1.00 24.24 C ATOM 85 OD1 ASP A 172 -10.488 2.834 0.966 1.00 55.24 O ATOM 86 OD2 ASP A 172 -11.307 1.825 -0.788 1.00 54.15 O ATOM 0 H ASP A 172 -9.363 5.802 -2.531 1.00 22.44 H new ATOM 0 HA ASP A 172 -8.551 4.621 -0.131 1.00 20.42 H new ATOM 0 HB2 ASP A 172 -10.905 4.917 -0.733 1.00 74.21 H new ATOM 0 HB3 ASP A 172 -10.731 3.879 -2.134 1.00 74.21 H new ATOM 91 N ALA A 173 -7.307 2.543 -0.540 1.00 64.44 N ATOM 92 CA ALA A 173 -6.522 1.309 -0.670 1.00 31.13 C ATOM 93 C ALA A 173 -6.472 0.586 0.679 1.00 32.04 C ATOM 94 O ALA A 173 -6.668 1.200 1.743 1.00 75.05 O ATOM 95 CB ALA A 173 -5.097 1.613 -1.157 1.00 22.14 C ATOM 0 H ALA A 173 -7.217 2.983 0.376 1.00 64.44 H new ATOM 0 HA ALA A 173 -7.004 0.668 -1.409 1.00 31.13 H new ATOM 0 HB1 ALA A 173 -4.536 0.682 -1.245 1.00 22.14 H new ATOM 0 HB2 ALA A 173 -5.142 2.103 -2.130 1.00 22.14 H new ATOM 0 HB3 ALA A 173 -4.601 2.270 -0.442 1.00 22.14 H new ATOM 101 N ASP A 174 -6.185 -0.714 0.612 1.00 43.50 N ATOM 102 CA ASP A 174 -6.071 -1.589 1.791 1.00 40.22 C ATOM 103 C ASP A 174 -5.243 -2.826 1.416 1.00 65.14 C ATOM 104 O ASP A 174 -5.040 -3.099 0.227 1.00 55.13 O ATOM 105 CB ASP A 174 -7.484 -1.988 2.309 1.00 52.45 C ATOM 106 CG ASP A 174 -7.459 -2.640 3.696 1.00 71.52 C ATOM 107 OD1 ASP A 174 -7.287 -1.910 4.697 1.00 64.33 O ATOM 108 OD2 ASP A 174 -7.595 -3.875 3.799 1.00 11.41 O ATOM 0 H ASP A 174 -6.022 -1.200 -0.270 1.00 43.50 H new ATOM 0 HA ASP A 174 -5.566 -1.059 2.598 1.00 40.22 H new ATOM 0 HB2 ASP A 174 -8.115 -1.100 2.344 1.00 52.45 H new ATOM 0 HB3 ASP A 174 -7.942 -2.677 1.599 1.00 52.45 H new ATOM 113 N TYR A 175 -4.740 -3.554 2.427 1.00 32.12 N ATOM 114 CA TYR A 175 -3.991 -4.804 2.211 1.00 61.45 C ATOM 115 C TYR A 175 -4.440 -5.893 3.172 1.00 34.13 C ATOM 116 O TYR A 175 -5.147 -5.633 4.161 1.00 40.31 O ATOM 117 CB TYR A 175 -2.457 -4.591 2.344 1.00 0.31 C ATOM 118 CG TYR A 175 -1.896 -4.374 3.764 1.00 54.32 C ATOM 119 CD1 TYR A 175 -1.589 -3.111 4.221 1.00 25.32 C ATOM 120 CD2 TYR A 175 -1.609 -5.451 4.618 1.00 1.33 C ATOM 121 CE1 TYR A 175 -1.018 -2.917 5.459 1.00 53.40 C ATOM 122 CE2 TYR A 175 -1.060 -5.257 5.866 1.00 2.40 C ATOM 123 CZ TYR A 175 -0.757 -3.991 6.277 1.00 71.32 C ATOM 124 OH TYR A 175 -0.186 -3.798 7.513 1.00 62.05 O ATOM 0 H TYR A 175 -4.840 -3.296 3.409 1.00 32.12 H new ATOM 0 HA TYR A 175 -4.207 -5.122 1.191 1.00 61.45 H new ATOM 0 HB2 TYR A 175 -1.957 -5.458 1.912 1.00 0.31 H new ATOM 0 HB3 TYR A 175 -2.182 -3.729 1.737 1.00 0.31 H new ATOM 0 HD1 TYR A 175 -1.800 -2.256 3.596 1.00 25.32 H new ATOM 0 HD2 TYR A 175 -1.824 -6.457 4.288 1.00 1.33 H new ATOM 0 HE1 TYR A 175 -0.774 -1.918 5.789 1.00 53.40 H new ATOM 0 HE2 TYR A 175 -0.871 -6.100 6.514 1.00 2.40 H new ATOM 0 HH TYR A 175 -0.258 -2.853 7.762 1.00 62.05 H new ATOM 134 N LYS A 176 -3.928 -7.104 2.890 1.00 51.30 N ATOM 135 CA LYS A 176 -4.075 -8.297 3.727 1.00 54.34 C ATOM 136 C LYS A 176 -2.708 -9.010 3.773 1.00 51.25 C ATOM 137 O LYS A 176 -2.004 -9.032 2.757 1.00 13.43 O ATOM 138 CB LYS A 176 -5.199 -9.246 3.207 1.00 63.20 C ATOM 139 CG LYS A 176 -6.618 -8.628 3.248 1.00 61.21 C ATOM 140 CD LYS A 176 -7.027 -8.155 4.672 1.00 32.03 C ATOM 141 CE LYS A 176 -7.288 -9.311 5.645 1.00 72.03 C ATOM 142 NZ LYS A 176 -8.429 -10.153 5.214 1.00 35.42 N ATOM 0 H LYS A 176 -3.384 -7.280 2.045 1.00 51.30 H new ATOM 0 HA LYS A 176 -4.381 -8.003 4.731 1.00 54.34 H new ATOM 0 HB2 LYS A 176 -4.970 -9.535 2.181 1.00 63.20 H new ATOM 0 HB3 LYS A 176 -5.194 -10.158 3.804 1.00 63.20 H new ATOM 0 HG2 LYS A 176 -6.661 -7.782 2.562 1.00 61.21 H new ATOM 0 HG3 LYS A 176 -7.340 -9.363 2.893 1.00 61.21 H new ATOM 0 HD2 LYS A 176 -6.239 -7.520 5.076 1.00 32.03 H new ATOM 0 HD3 LYS A 176 -7.925 -7.541 4.599 1.00 32.03 H new ATOM 0 HE2 LYS A 176 -6.392 -9.927 5.724 1.00 72.03 H new ATOM 0 HE3 LYS A 176 -7.488 -8.910 6.639 1.00 72.03 H new ATOM 0 HZ1 LYS A 176 -8.701 -10.791 5.988 1.00 35.42 H new ATOM 0 HZ2 LYS A 176 -9.236 -9.545 4.967 1.00 35.42 H new ATOM 0 HZ3 LYS A 176 -8.152 -10.715 4.384 1.00 35.42 H new ATOM 156 N PRO A 177 -2.299 -9.571 4.947 1.00 52.12 N ATOM 157 CA PRO A 177 -1.005 -10.291 5.099 1.00 34.33 C ATOM 158 C PRO A 177 -0.904 -11.500 4.132 1.00 0.30 C ATOM 159 O PRO A 177 -1.736 -12.416 4.191 1.00 4.01 O ATOM 160 CB PRO A 177 -1.013 -10.731 6.598 1.00 32.52 C ATOM 161 CG PRO A 177 -1.993 -9.802 7.259 1.00 34.21 C ATOM 162 CD PRO A 177 -3.061 -9.560 6.224 1.00 62.53 C ATOM 0 HA PRO A 177 -0.141 -9.675 4.849 1.00 34.33 H new ATOM 0 HB2 PRO A 177 -1.319 -11.772 6.704 1.00 32.52 H new ATOM 0 HB3 PRO A 177 -0.022 -10.643 7.042 1.00 32.52 H new ATOM 0 HG2 PRO A 177 -2.412 -10.247 8.161 1.00 34.21 H new ATOM 0 HG3 PRO A 177 -1.514 -8.869 7.557 1.00 34.21 H new ATOM 0 HD2 PRO A 177 -3.826 -10.336 6.244 1.00 62.53 H new ATOM 0 HD3 PRO A 177 -3.569 -8.609 6.383 1.00 62.53 H new ATOM 170 N ALA A 178 0.086 -11.456 3.208 1.00 41.11 N ATOM 171 CA ALA A 178 0.293 -12.510 2.178 1.00 61.05 C ATOM 172 C ALA A 178 0.694 -13.820 2.856 1.00 73.22 C ATOM 173 O ALA A 178 0.158 -14.898 2.564 1.00 10.55 O ATOM 174 CB ALA A 178 1.349 -12.072 1.139 1.00 53.04 C ATOM 0 H ALA A 178 0.762 -10.694 3.153 1.00 41.11 H new ATOM 0 HA ALA A 178 -0.643 -12.666 1.641 1.00 61.05 H new ATOM 0 HB1 ALA A 178 1.480 -12.861 0.399 1.00 53.04 H new ATOM 0 HB2 ALA A 178 1.015 -11.161 0.643 1.00 53.04 H new ATOM 0 HB3 ALA A 178 2.298 -11.885 1.641 1.00 53.04 H new ATOM 285 N GLN A 191 4.047 3.760 15.117 1.00 11.22 N ATOM 286 CA GLN A 191 2.941 2.985 14.510 1.00 4.15 C ATOM 287 C GLN A 191 2.767 3.342 13.027 1.00 22.13 C ATOM 288 O GLN A 191 2.280 2.529 12.229 1.00 21.25 O ATOM 289 CB GLN A 191 1.624 3.240 15.290 1.00 5.31 C ATOM 290 CG GLN A 191 1.690 2.828 16.768 1.00 60.40 C ATOM 291 CD GLN A 191 0.380 3.025 17.537 1.00 4.34 C ATOM 292 OE1 GLN A 191 -0.713 2.910 16.980 1.00 5.22 O ATOM 293 NE2 GLN A 191 0.480 3.317 18.826 1.00 2.45 N ATOM 0 HA GLN A 191 3.189 1.925 14.571 1.00 4.15 H new ATOM 0 HB2 GLN A 191 1.375 4.299 15.228 1.00 5.31 H new ATOM 0 HB3 GLN A 191 0.814 2.694 14.806 1.00 5.31 H new ATOM 0 HG2 GLN A 191 1.978 1.779 16.828 1.00 60.40 H new ATOM 0 HG3 GLN A 191 2.475 3.403 17.259 1.00 60.40 H new ATOM 0 HE21 GLN A 191 1.399 3.406 19.259 1.00 2.45 H new ATOM 0 HE22 GLN A 191 -0.362 3.453 19.385 1.00 2.45 H new ATOM 302 N ASP A 192 3.161 4.577 12.687 1.00 53.55 N ATOM 303 CA ASP A 192 3.189 5.076 11.308 1.00 32.24 C ATOM 304 C ASP A 192 4.404 4.476 10.585 1.00 74.41 C ATOM 305 O ASP A 192 5.528 4.508 11.107 1.00 4.42 O ATOM 306 CB ASP A 192 3.280 6.634 11.284 1.00 71.11 C ATOM 307 CG ASP A 192 2.023 7.355 11.797 1.00 24.43 C ATOM 308 OD1 ASP A 192 1.624 7.119 12.958 1.00 74.41 O ATOM 309 OD2 ASP A 192 1.446 8.189 11.063 1.00 60.25 O ATOM 0 H ASP A 192 3.473 5.265 13.372 1.00 53.55 H new ATOM 0 HA ASP A 192 2.269 4.780 10.805 1.00 32.24 H new ATOM 0 HB2 ASP A 192 4.133 6.945 11.887 1.00 71.11 H new ATOM 0 HB3 ASP A 192 3.477 6.958 10.262 1.00 71.11 H new ATOM 314 N LEU A 193 4.159 3.910 9.406 1.00 51.01 N ATOM 315 CA LEU A 193 5.188 3.405 8.492 1.00 13.42 C ATOM 316 C LEU A 193 5.129 4.212 7.191 1.00 2.55 C ATOM 317 O LEU A 193 4.057 4.670 6.784 1.00 3.41 O ATOM 318 CB LEU A 193 4.994 1.884 8.216 1.00 13.33 C ATOM 319 CG LEU A 193 5.417 0.918 9.362 1.00 74.30 C ATOM 320 CD1 LEU A 193 5.161 -0.562 8.985 1.00 21.44 C ATOM 321 CD2 LEU A 193 6.894 1.154 9.741 1.00 52.24 C ATOM 0 H LEU A 193 3.213 3.785 9.047 1.00 51.01 H new ATOM 0 HA LEU A 193 6.170 3.524 8.949 1.00 13.42 H new ATOM 0 HB2 LEU A 193 3.942 1.708 7.990 1.00 13.33 H new ATOM 0 HB3 LEU A 193 5.560 1.623 7.322 1.00 13.33 H new ATOM 0 HG LEU A 193 4.799 1.135 10.233 1.00 74.30 H new ATOM 0 HD11 LEU A 193 5.468 -1.206 9.809 1.00 21.44 H new ATOM 0 HD12 LEU A 193 4.099 -0.709 8.787 1.00 21.44 H new ATOM 0 HD13 LEU A 193 5.735 -0.815 8.093 1.00 21.44 H new ATOM 0 HD21 LEU A 193 7.177 0.472 10.543 1.00 52.24 H new ATOM 0 HD22 LEU A 193 7.526 0.974 8.871 1.00 52.24 H new ATOM 0 HD23 LEU A 193 7.024 2.183 10.076 1.00 52.24 H new ATOM 333 N TYR A 194 6.301 4.400 6.565 1.00 41.23 N ATOM 334 CA TYR A 194 6.470 5.233 5.358 1.00 73.22 C ATOM 335 C TYR A 194 7.443 4.530 4.400 1.00 24.13 C ATOM 336 O TYR A 194 8.586 4.256 4.778 1.00 3.32 O ATOM 337 CB TYR A 194 7.015 6.639 5.757 1.00 35.04 C ATOM 338 CG TYR A 194 6.034 7.446 6.614 1.00 35.40 C ATOM 339 CD1 TYR A 194 6.186 7.541 7.996 1.00 41.41 C ATOM 340 CD2 TYR A 194 4.924 8.068 6.040 1.00 73.01 C ATOM 341 CE1 TYR A 194 5.271 8.223 8.762 1.00 21.23 C ATOM 342 CE2 TYR A 194 4.011 8.760 6.810 1.00 1.53 C ATOM 343 CZ TYR A 194 4.189 8.833 8.167 1.00 53.12 C ATOM 344 OH TYR A 194 3.273 9.501 8.947 1.00 70.22 O ATOM 0 H TYR A 194 7.171 3.974 6.885 1.00 41.23 H new ATOM 0 HA TYR A 194 5.509 5.366 4.861 1.00 73.22 H new ATOM 0 HB2 TYR A 194 7.950 6.517 6.304 1.00 35.04 H new ATOM 0 HB3 TYR A 194 7.246 7.202 4.853 1.00 35.04 H new ATOM 0 HD1 TYR A 194 7.035 7.072 8.472 1.00 41.41 H new ATOM 0 HD2 TYR A 194 4.777 8.007 4.972 1.00 73.01 H new ATOM 0 HE1 TYR A 194 5.401 8.281 9.833 1.00 21.23 H new ATOM 0 HE2 TYR A 194 3.162 9.241 6.346 1.00 1.53 H new ATOM 0 HH TYR A 194 2.797 8.859 9.515 1.00 70.22 H new ATOM 354 N ALA A 195 6.989 4.254 3.163 1.00 50.21 N ATOM 355 CA ALA A 195 7.778 3.502 2.165 1.00 11.30 C ATOM 356 C ALA A 195 7.205 3.698 0.745 1.00 32.25 C ATOM 357 O ALA A 195 6.116 4.246 0.574 1.00 41.33 O ATOM 358 CB ALA A 195 7.817 2.000 2.543 1.00 5.23 C ATOM 0 H ALA A 195 6.070 4.543 2.827 1.00 50.21 H new ATOM 0 HA ALA A 195 8.797 3.888 2.166 1.00 11.30 H new ATOM 0 HB1 ALA A 195 8.400 1.453 1.802 1.00 5.23 H new ATOM 0 HB2 ALA A 195 8.276 1.884 3.525 1.00 5.23 H new ATOM 0 HB3 ALA A 195 6.802 1.605 2.569 1.00 5.23 H new ATOM 364 N THR A 196 7.964 3.254 -0.269 1.00 20.30 N ATOM 365 CA THR A 196 7.503 3.199 -1.668 1.00 11.34 C ATOM 366 C THR A 196 6.970 1.790 -1.986 1.00 44.34 C ATOM 367 O THR A 196 7.431 0.796 -1.405 1.00 71.54 O ATOM 368 CB THR A 196 8.656 3.592 -2.660 1.00 35.32 C ATOM 369 OG1 THR A 196 9.888 2.955 -2.272 1.00 1.01 O ATOM 370 CG2 THR A 196 8.868 5.118 -2.733 1.00 33.31 C ATOM 0 H THR A 196 8.920 2.921 -0.142 1.00 20.30 H new ATOM 0 HA THR A 196 6.697 3.921 -1.796 1.00 11.34 H new ATOM 0 HB THR A 196 8.356 3.248 -3.650 1.00 35.32 H new ATOM 0 HG1 THR A 196 10.598 3.207 -2.899 1.00 1.01 H new ATOM 0 HG21 THR A 196 9.675 5.340 -3.431 1.00 33.31 H new ATOM 0 HG22 THR A 196 7.950 5.597 -3.075 1.00 33.31 H new ATOM 0 HG23 THR A 196 9.129 5.497 -1.745 1.00 33.31 H new ATOM 378 N LEU A 197 5.995 1.715 -2.902 1.00 20.04 N ATOM 379 CA LEU A 197 5.345 0.455 -3.301 1.00 43.02 C ATOM 380 C LEU A 197 5.700 0.121 -4.761 1.00 2.31 C ATOM 381 O LEU A 197 5.312 0.850 -5.676 1.00 52.33 O ATOM 382 CB LEU A 197 3.800 0.571 -3.139 1.00 11.02 C ATOM 383 CG LEU A 197 2.982 -0.714 -3.478 1.00 64.02 C ATOM 384 CD1 LEU A 197 3.477 -1.930 -2.668 1.00 25.45 C ATOM 385 CD2 LEU A 197 1.466 -0.477 -3.279 1.00 14.24 C ATOM 0 H LEU A 197 5.631 2.532 -3.392 1.00 20.04 H new ATOM 0 HA LEU A 197 5.705 -0.347 -2.656 1.00 43.02 H new ATOM 0 HB2 LEU A 197 3.582 0.856 -2.110 1.00 11.02 H new ATOM 0 HB3 LEU A 197 3.447 1.382 -3.776 1.00 11.02 H new ATOM 0 HG LEU A 197 3.145 -0.942 -4.531 1.00 64.02 H new ATOM 0 HD11 LEU A 197 2.885 -2.807 -2.930 1.00 25.45 H new ATOM 0 HD12 LEU A 197 4.526 -2.118 -2.899 1.00 25.45 H new ATOM 0 HD13 LEU A 197 3.371 -1.725 -1.603 1.00 25.45 H new ATOM 0 HD21 LEU A 197 0.920 -1.389 -3.522 1.00 14.24 H new ATOM 0 HD22 LEU A 197 1.273 -0.205 -2.241 1.00 14.24 H new ATOM 0 HD23 LEU A 197 1.135 0.330 -3.933 1.00 14.24 H new ATOM 397 N ASP A 198 6.450 -0.970 -4.960 1.00 15.40 N ATOM 398 CA ASP A 198 6.771 -1.499 -6.295 1.00 43.45 C ATOM 399 C ASP A 198 5.532 -2.178 -6.896 1.00 12.43 C ATOM 400 O ASP A 198 5.098 -3.237 -6.414 1.00 40.21 O ATOM 401 CB ASP A 198 7.952 -2.505 -6.213 1.00 65.51 C ATOM 402 CG ASP A 198 9.314 -1.817 -6.058 1.00 13.32 C ATOM 403 OD1 ASP A 198 9.627 -1.312 -4.952 1.00 51.11 O ATOM 404 OD2 ASP A 198 10.084 -1.783 -7.040 1.00 74.13 O ATOM 0 H ASP A 198 6.854 -1.514 -4.198 1.00 15.40 H new ATOM 0 HA ASP A 198 7.071 -0.672 -6.939 1.00 43.45 H new ATOM 0 HB2 ASP A 198 7.792 -3.177 -5.370 1.00 65.51 H new ATOM 0 HB3 ASP A 198 7.962 -3.120 -7.113 1.00 65.51 H new ATOM 409 N VAL A 199 4.948 -1.542 -7.920 1.00 52.04 N ATOM 410 CA VAL A 199 3.813 -2.087 -8.676 1.00 62.22 C ATOM 411 C VAL A 199 4.236 -2.258 -10.149 1.00 24.31 C ATOM 412 O VAL A 199 4.653 -1.280 -10.771 1.00 52.20 O ATOM 413 CB VAL A 199 2.544 -1.156 -8.588 1.00 74.55 C ATOM 414 CG1 VAL A 199 1.377 -1.707 -9.448 1.00 3.13 C ATOM 415 CG2 VAL A 199 2.108 -0.962 -7.117 1.00 44.31 C ATOM 0 H VAL A 199 5.253 -0.626 -8.250 1.00 52.04 H new ATOM 0 HA VAL A 199 3.539 -3.048 -8.241 1.00 62.22 H new ATOM 0 HB VAL A 199 2.817 -0.181 -8.993 1.00 74.55 H new ATOM 0 HG11 VAL A 199 0.518 -1.041 -9.365 1.00 3.13 H new ATOM 0 HG12 VAL A 199 1.690 -1.767 -10.490 1.00 3.13 H new ATOM 0 HG13 VAL A 199 1.102 -2.701 -9.094 1.00 3.13 H new ATOM 0 HG21 VAL A 199 1.231 -0.316 -7.080 1.00 44.31 H new ATOM 0 HG22 VAL A 199 1.865 -1.930 -6.679 1.00 44.31 H new ATOM 0 HG23 VAL A 199 2.921 -0.503 -6.554 1.00 44.31 H new ATOM 425 N PRO A 200 4.195 -3.501 -10.718 1.00 24.20 N ATOM 426 CA PRO A 200 4.361 -3.733 -12.177 1.00 65.23 C ATOM 427 C PRO A 200 3.339 -2.926 -13.014 1.00 4.24 C ATOM 428 O PRO A 200 2.177 -2.791 -12.612 1.00 20.10 O ATOM 429 CB PRO A 200 4.136 -5.266 -12.324 1.00 25.24 C ATOM 430 CG PRO A 200 4.513 -5.813 -10.982 1.00 61.43 C ATOM 431 CD PRO A 200 4.025 -4.781 -9.992 1.00 3.30 C ATOM 0 HA PRO A 200 5.334 -3.406 -12.545 1.00 65.23 H new ATOM 0 HB2 PRO A 200 3.100 -5.496 -12.573 1.00 25.24 H new ATOM 0 HB3 PRO A 200 4.755 -5.687 -13.116 1.00 25.24 H new ATOM 0 HG2 PRO A 200 4.047 -6.782 -10.805 1.00 61.43 H new ATOM 0 HG3 PRO A 200 5.590 -5.958 -10.903 1.00 61.43 H new ATOM 0 HD2 PRO A 200 2.985 -4.951 -9.715 1.00 3.30 H new ATOM 0 HD3 PRO A 200 4.607 -4.801 -9.071 1.00 3.30 H new ATOM 439 N ALA A 201 3.796 -2.426 -14.178 1.00 11.11 N ATOM 440 CA ALA A 201 2.990 -1.613 -15.115 1.00 3.30 C ATOM 441 C ALA A 201 1.632 -2.265 -15.506 1.00 23.24 C ATOM 442 O ALA A 201 0.609 -1.577 -15.460 1.00 2.12 O ATOM 443 CB ALA A 201 3.819 -1.250 -16.357 1.00 25.53 C ATOM 0 H ALA A 201 4.752 -2.577 -14.501 1.00 11.11 H new ATOM 0 HA ALA A 201 2.726 -0.699 -14.583 1.00 3.30 H new ATOM 0 HB1 ALA A 201 3.213 -0.652 -17.037 1.00 25.53 H new ATOM 0 HB2 ALA A 201 4.696 -0.678 -16.055 1.00 25.53 H new ATOM 0 HB3 ALA A 201 4.137 -2.162 -16.862 1.00 25.53 H new ATOM 449 N PRO A 202 1.576 -3.609 -15.870 1.00 41.34 N ATOM 450 CA PRO A 202 0.279 -4.314 -16.116 1.00 70.11 C ATOM 451 C PRO A 202 -0.701 -4.210 -14.915 1.00 2.35 C ATOM 452 O PRO A 202 -1.849 -3.781 -15.086 1.00 42.31 O ATOM 453 CB PRO A 202 0.700 -5.791 -16.388 1.00 62.43 C ATOM 454 CG PRO A 202 2.119 -5.897 -15.900 1.00 61.23 C ATOM 455 CD PRO A 202 2.723 -4.537 -16.129 1.00 12.20 C ATOM 0 HA PRO A 202 -0.271 -3.869 -16.946 1.00 70.11 H new ATOM 0 HB2 PRO A 202 0.050 -6.489 -15.860 1.00 62.43 H new ATOM 0 HB3 PRO A 202 0.630 -6.031 -17.449 1.00 62.43 H new ATOM 0 HG2 PRO A 202 2.152 -6.169 -14.845 1.00 61.23 H new ATOM 0 HG3 PRO A 202 2.666 -6.667 -16.445 1.00 61.23 H new ATOM 0 HD2 PRO A 202 3.556 -4.347 -15.453 1.00 12.20 H new ATOM 0 HD3 PRO A 202 3.106 -4.431 -17.144 1.00 12.20 H new ATOM 463 N ILE A 203 -0.196 -4.539 -13.702 1.00 31.10 N ATOM 464 CA ILE A 203 -0.994 -4.552 -12.450 1.00 22.21 C ATOM 465 C ILE A 203 -1.513 -3.133 -12.093 1.00 51.41 C ATOM 466 O ILE A 203 -2.593 -2.988 -11.516 1.00 1.14 O ATOM 467 CB ILE A 203 -0.146 -5.165 -11.251 1.00 24.54 C ATOM 468 CG1 ILE A 203 0.319 -6.624 -11.604 1.00 13.43 C ATOM 469 CG2 ILE A 203 -0.928 -5.137 -9.907 1.00 64.42 C ATOM 470 CD1 ILE A 203 1.037 -7.372 -10.489 1.00 1.33 C ATOM 0 H ILE A 203 0.779 -4.804 -13.563 1.00 31.10 H new ATOM 0 HA ILE A 203 -1.864 -5.187 -12.616 1.00 22.21 H new ATOM 0 HB ILE A 203 0.736 -4.539 -11.115 1.00 24.54 H new ATOM 0 HG12 ILE A 203 -0.555 -7.203 -11.902 1.00 13.43 H new ATOM 0 HG13 ILE A 203 0.980 -6.576 -12.470 1.00 13.43 H new ATOM 0 HG21 ILE A 203 -0.310 -5.565 -9.118 1.00 64.42 H new ATOM 0 HG22 ILE A 203 -1.179 -4.107 -9.653 1.00 64.42 H new ATOM 0 HG23 ILE A 203 -1.844 -5.719 -10.007 1.00 64.42 H new ATOM 0 HD11 ILE A 203 1.314 -8.367 -10.838 1.00 1.33 H new ATOM 0 HD12 ILE A 203 1.935 -6.825 -10.203 1.00 1.33 H new ATOM 0 HD13 ILE A 203 0.377 -7.461 -9.626 1.00 1.33 H new ATOM 482 N ALA A 204 -0.748 -2.100 -12.476 1.00 71.32 N ATOM 483 CA ALA A 204 -1.126 -0.690 -12.259 1.00 22.10 C ATOM 484 C ALA A 204 -2.324 -0.282 -13.152 1.00 35.34 C ATOM 485 O ALA A 204 -3.304 0.294 -12.667 1.00 51.54 O ATOM 486 CB ALA A 204 0.090 0.217 -12.518 1.00 24.20 C ATOM 0 H ALA A 204 0.150 -2.215 -12.945 1.00 71.32 H new ATOM 0 HA ALA A 204 -1.443 -0.571 -11.223 1.00 22.10 H new ATOM 0 HB1 ALA A 204 -0.191 1.258 -12.357 1.00 24.20 H new ATOM 0 HB2 ALA A 204 0.896 -0.051 -11.835 1.00 24.20 H new ATOM 0 HB3 ALA A 204 0.428 0.087 -13.546 1.00 24.20 H new ATOM 492 N VAL A 205 -2.233 -0.617 -14.456 1.00 33.21 N ATOM 493 CA VAL A 205 -3.239 -0.224 -15.474 1.00 44.21 C ATOM 494 C VAL A 205 -4.600 -0.922 -15.230 1.00 44.32 C ATOM 495 O VAL A 205 -5.645 -0.255 -15.159 1.00 32.24 O ATOM 496 CB VAL A 205 -2.720 -0.542 -16.936 1.00 71.13 C ATOM 497 CG1 VAL A 205 -3.769 -0.198 -18.026 1.00 41.14 C ATOM 498 CG2 VAL A 205 -1.378 0.177 -17.209 1.00 60.23 C ATOM 0 H VAL A 205 -1.462 -1.167 -14.836 1.00 33.21 H new ATOM 0 HA VAL A 205 -3.388 0.852 -15.380 1.00 44.21 H new ATOM 0 HB VAL A 205 -2.555 -1.618 -16.989 1.00 71.13 H new ATOM 0 HG11 VAL A 205 -3.363 -0.435 -19.009 1.00 41.14 H new ATOM 0 HG12 VAL A 205 -4.674 -0.781 -17.857 1.00 41.14 H new ATOM 0 HG13 VAL A 205 -4.008 0.864 -17.979 1.00 41.14 H new ATOM 0 HG21 VAL A 205 -1.040 -0.055 -18.219 1.00 60.23 H new ATOM 0 HG22 VAL A 205 -1.516 1.254 -17.111 1.00 60.23 H new ATOM 0 HG23 VAL A 205 -0.632 -0.160 -16.490 1.00 60.23 H new ATOM 508 N VAL A 206 -4.575 -2.262 -15.103 1.00 33.23 N ATOM 509 CA VAL A 206 -5.811 -3.076 -14.945 1.00 34.32 C ATOM 510 C VAL A 206 -6.293 -3.094 -13.475 1.00 43.44 C ATOM 511 O VAL A 206 -7.504 -3.167 -13.215 1.00 12.33 O ATOM 512 CB VAL A 206 -5.618 -4.546 -15.497 1.00 21.32 C ATOM 513 CG1 VAL A 206 -4.583 -5.345 -14.680 1.00 14.20 C ATOM 514 CG2 VAL A 206 -6.967 -5.311 -15.606 1.00 72.40 C ATOM 0 H VAL A 206 -3.715 -2.811 -15.106 1.00 33.23 H new ATOM 0 HA VAL A 206 -6.587 -2.599 -15.544 1.00 34.32 H new ATOM 0 HB VAL A 206 -5.220 -4.445 -16.507 1.00 21.32 H new ATOM 0 HG11 VAL A 206 -4.485 -6.347 -15.097 1.00 14.20 H new ATOM 0 HG12 VAL A 206 -3.618 -4.839 -14.721 1.00 14.20 H new ATOM 0 HG13 VAL A 206 -4.913 -5.414 -13.643 1.00 14.20 H new ATOM 0 HG21 VAL A 206 -6.786 -6.315 -15.989 1.00 72.40 H new ATOM 0 HG22 VAL A 206 -7.429 -5.376 -14.621 1.00 72.40 H new ATOM 0 HG23 VAL A 206 -7.633 -4.779 -16.285 1.00 72.40 H new ATOM 524 N GLY A 207 -5.348 -2.985 -12.518 1.00 31.21 N ATOM 525 CA GLY A 207 -5.663 -3.089 -11.087 1.00 3.33 C ATOM 526 C GLY A 207 -5.589 -4.528 -10.596 1.00 64.42 C ATOM 527 O GLY A 207 -6.223 -5.424 -11.178 1.00 72.23 O ATOM 0 H GLY A 207 -4.360 -2.825 -12.716 1.00 31.21 H new ATOM 0 HA2 GLY A 207 -4.968 -2.474 -10.516 1.00 3.33 H new ATOM 0 HA3 GLY A 207 -6.662 -2.694 -10.905 1.00 3.33 H new ATOM 531 N GLY A 208 -4.807 -4.757 -9.531 1.00 73.12 N ATOM 532 CA GLY A 208 -4.600 -6.098 -8.997 1.00 51.01 C ATOM 533 C GLY A 208 -4.113 -6.080 -7.556 1.00 41.55 C ATOM 534 O GLY A 208 -4.571 -5.257 -6.761 1.00 12.22 O ATOM 0 H GLY A 208 -4.309 -4.024 -9.026 1.00 73.12 H new ATOM 0 HA2 GLY A 208 -5.534 -6.657 -9.055 1.00 51.01 H new ATOM 0 HA3 GLY A 208 -3.874 -6.625 -9.616 1.00 51.01 H new ATOM 538 N LYS A 209 -3.196 -7.007 -7.214 1.00 22.42 N ATOM 539 CA LYS A 209 -2.551 -7.069 -5.888 1.00 0.10 C ATOM 540 C LYS A 209 -1.039 -7.285 -6.088 1.00 45.53 C ATOM 541 O LYS A 209 -0.626 -8.124 -6.909 1.00 62.23 O ATOM 542 CB LYS A 209 -3.127 -8.228 -5.019 1.00 31.41 C ATOM 543 CG LYS A 209 -4.545 -7.977 -4.448 1.00 2.00 C ATOM 544 CD LYS A 209 -5.027 -9.105 -3.500 1.00 4.24 C ATOM 545 CE LYS A 209 -5.022 -10.505 -4.152 1.00 22.43 C ATOM 546 NZ LYS A 209 -5.922 -10.596 -5.331 1.00 63.01 N ATOM 0 H LYS A 209 -2.881 -7.737 -7.853 1.00 22.42 H new ATOM 0 HA LYS A 209 -2.746 -6.133 -5.364 1.00 0.10 H new ATOM 0 HB2 LYS A 209 -3.150 -9.136 -5.621 1.00 31.41 H new ATOM 0 HB3 LYS A 209 -2.445 -8.413 -4.189 1.00 31.41 H new ATOM 0 HG2 LYS A 209 -4.551 -7.030 -3.908 1.00 2.00 H new ATOM 0 HG3 LYS A 209 -5.250 -7.878 -5.273 1.00 2.00 H new ATOM 0 HD2 LYS A 209 -4.389 -9.123 -2.616 1.00 4.24 H new ATOM 0 HD3 LYS A 209 -6.037 -8.875 -3.160 1.00 4.24 H new ATOM 0 HE2 LYS A 209 -4.006 -10.755 -4.457 1.00 22.43 H new ATOM 0 HE3 LYS A 209 -5.324 -11.246 -3.412 1.00 22.43 H new ATOM 0 HZ1 LYS A 209 -5.878 -11.556 -5.728 1.00 63.01 H new ATOM 0 HZ2 LYS A 209 -6.898 -10.386 -5.040 1.00 63.01 H new ATOM 0 HZ3 LYS A 209 -5.620 -9.910 -6.052 1.00 63.01 H new ATOM 560 N VAL A 210 -0.232 -6.510 -5.350 1.00 52.41 N ATOM 561 CA VAL A 210 1.243 -6.665 -5.293 1.00 22.51 C ATOM 562 C VAL A 210 1.654 -6.967 -3.844 1.00 2.34 C ATOM 563 O VAL A 210 0.876 -6.739 -2.925 1.00 50.53 O ATOM 564 CB VAL A 210 1.985 -5.369 -5.791 1.00 41.44 C ATOM 565 CG1 VAL A 210 1.649 -5.061 -7.262 1.00 22.33 C ATOM 566 CG2 VAL A 210 1.673 -4.157 -4.880 1.00 50.21 C ATOM 0 H VAL A 210 -0.580 -5.748 -4.768 1.00 52.41 H new ATOM 0 HA VAL A 210 1.529 -7.484 -5.953 1.00 22.51 H new ATOM 0 HB VAL A 210 3.056 -5.561 -5.730 1.00 41.44 H new ATOM 0 HG11 VAL A 210 2.177 -4.160 -7.575 1.00 22.33 H new ATOM 0 HG12 VAL A 210 1.957 -5.898 -7.888 1.00 22.33 H new ATOM 0 HG13 VAL A 210 0.575 -4.906 -7.365 1.00 22.33 H new ATOM 0 HG21 VAL A 210 2.200 -3.278 -5.251 1.00 50.21 H new ATOM 0 HG22 VAL A 210 0.600 -3.965 -4.884 1.00 50.21 H new ATOM 0 HG23 VAL A 210 1.999 -4.373 -3.863 1.00 50.21 H new ATOM 576 N ARG A 211 2.873 -7.476 -3.636 1.00 54.22 N ATOM 577 CA ARG A 211 3.407 -7.710 -2.281 1.00 15.45 C ATOM 578 C ARG A 211 4.333 -6.561 -1.864 1.00 50.52 C ATOM 579 O ARG A 211 5.318 -6.250 -2.544 1.00 22.31 O ATOM 580 CB ARG A 211 4.115 -9.086 -2.191 1.00 52.32 C ATOM 581 CG ARG A 211 3.133 -10.275 -2.259 1.00 2.31 C ATOM 582 CD ARG A 211 3.842 -11.636 -2.261 1.00 20.22 C ATOM 583 NE ARG A 211 4.727 -11.795 -3.429 1.00 64.24 N ATOM 584 CZ ARG A 211 5.325 -12.935 -3.805 1.00 34.33 C ATOM 585 NH1 ARG A 211 5.157 -14.065 -3.117 1.00 51.53 N ATOM 586 NH2 ARG A 211 6.115 -12.928 -4.867 1.00 43.20 N ATOM 0 H ARG A 211 3.513 -7.736 -4.387 1.00 54.22 H new ATOM 0 HA ARG A 211 2.574 -7.734 -1.579 1.00 15.45 H new ATOM 0 HB2 ARG A 211 4.837 -9.171 -3.003 1.00 52.32 H new ATOM 0 HB3 ARG A 211 4.677 -9.139 -1.259 1.00 52.32 H new ATOM 0 HG2 ARG A 211 2.453 -10.227 -1.409 1.00 2.31 H new ATOM 0 HG3 ARG A 211 2.525 -10.186 -3.159 1.00 2.31 H new ATOM 0 HD2 ARG A 211 4.426 -11.742 -1.347 1.00 20.22 H new ATOM 0 HD3 ARG A 211 3.098 -12.433 -2.259 1.00 20.22 H new ATOM 0 HE ARG A 211 4.899 -10.967 -4.000 1.00 64.24 H new ATOM 0 HH11 ARG A 211 4.564 -14.073 -2.287 1.00 51.53 H new ATOM 0 HH12 ARG A 211 5.621 -14.921 -3.421 1.00 51.53 H new ATOM 0 HH21 ARG A 211 6.262 -12.063 -5.387 1.00 43.20 H new ATOM 0 HH22 ARG A 211 6.577 -13.787 -5.165 1.00 43.20 H new ATOM 600 N ALA A 212 3.995 -5.951 -0.729 1.00 72.25 N ATOM 601 CA ALA A 212 4.744 -4.844 -0.140 1.00 1.22 C ATOM 602 C ALA A 212 5.610 -5.385 0.992 1.00 52.32 C ATOM 603 O ALA A 212 5.156 -6.235 1.782 1.00 24.24 O ATOM 604 CB ALA A 212 3.779 -3.776 0.394 1.00 71.12 C ATOM 0 H ALA A 212 3.176 -6.219 -0.183 1.00 72.25 H new ATOM 0 HA ALA A 212 5.377 -4.383 -0.899 1.00 1.22 H new ATOM 0 HB1 ALA A 212 4.349 -2.956 0.831 1.00 71.12 H new ATOM 0 HB2 ALA A 212 3.167 -3.397 -0.424 1.00 71.12 H new ATOM 0 HB3 ALA A 212 3.135 -4.216 1.155 1.00 71.12 H new ATOM 610 N MET A 213 6.853 -4.904 1.042 1.00 41.20 N ATOM 611 CA MET A 213 7.802 -5.249 2.092 1.00 13.45 C ATOM 612 C MET A 213 7.537 -4.352 3.308 1.00 73.32 C ATOM 613 O MET A 213 7.769 -3.137 3.261 1.00 12.43 O ATOM 614 CB MET A 213 9.257 -5.094 1.562 1.00 23.31 C ATOM 615 CG MET A 213 9.642 -6.012 0.376 1.00 22.22 C ATOM 616 SD MET A 213 9.947 -7.736 0.837 1.00 44.20 S ATOM 617 CE MET A 213 8.313 -8.491 0.936 1.00 52.12 C ATOM 0 H MET A 213 7.229 -4.259 0.347 1.00 41.20 H new ATOM 0 HA MET A 213 7.677 -6.288 2.395 1.00 13.45 H new ATOM 0 HB2 MET A 213 9.405 -4.058 1.258 1.00 23.31 H new ATOM 0 HB3 MET A 213 9.946 -5.286 2.385 1.00 23.31 H new ATOM 0 HG2 MET A 213 8.844 -5.982 -0.365 1.00 22.22 H new ATOM 0 HG3 MET A 213 10.536 -5.612 -0.102 1.00 22.22 H new ATOM 0 HE1 MET A 213 8.113 -8.791 1.965 1.00 52.12 H new ATOM 0 HE2 MET A 213 7.560 -7.772 0.614 1.00 52.12 H new ATOM 0 HE3 MET A 213 8.277 -9.367 0.289 1.00 52.12 H new ATOM 627 N THR A 214 6.988 -4.955 4.367 1.00 14.24 N ATOM 628 CA THR A 214 6.763 -4.292 5.658 1.00 61.43 C ATOM 629 C THR A 214 7.749 -4.869 6.672 1.00 2.21 C ATOM 630 O THR A 214 8.506 -5.803 6.354 1.00 72.12 O ATOM 631 CB THR A 214 5.296 -4.510 6.181 1.00 3.01 C ATOM 632 OG1 THR A 214 5.035 -5.910 6.390 1.00 23.43 O ATOM 633 CG2 THR A 214 4.249 -3.931 5.225 1.00 11.05 C ATOM 0 H THR A 214 6.683 -5.928 4.353 1.00 14.24 H new ATOM 0 HA THR A 214 6.912 -3.220 5.528 1.00 61.43 H new ATOM 0 HB THR A 214 5.217 -3.978 7.129 1.00 3.01 H new ATOM 0 HG1 THR A 214 5.268 -6.411 5.581 1.00 23.43 H new ATOM 0 HG21 THR A 214 3.252 -4.106 5.629 1.00 11.05 H new ATOM 0 HG22 THR A 214 4.412 -2.859 5.112 1.00 11.05 H new ATOM 0 HG23 THR A 214 4.337 -4.415 4.253 1.00 11.05 H new ATOM 641 N LEU A 215 7.725 -4.333 7.895 1.00 1.41 N ATOM 642 CA LEU A 215 8.579 -4.824 8.989 1.00 3.11 C ATOM 643 C LEU A 215 8.156 -6.258 9.393 1.00 12.41 C ATOM 644 O LEU A 215 8.961 -7.027 9.926 1.00 41.24 O ATOM 645 CB LEU A 215 8.532 -3.855 10.214 1.00 12.35 C ATOM 646 CG LEU A 215 8.719 -2.320 9.920 1.00 20.32 C ATOM 647 CD1 LEU A 215 9.011 -1.531 11.218 1.00 71.01 C ATOM 648 CD2 LEU A 215 9.783 -2.031 8.828 1.00 4.41 C ATOM 0 H LEU A 215 7.121 -3.554 8.157 1.00 1.41 H new ATOM 0 HA LEU A 215 9.610 -4.856 8.637 1.00 3.11 H new ATOM 0 HB2 LEU A 215 7.573 -3.989 10.715 1.00 12.35 H new ATOM 0 HB3 LEU A 215 9.306 -4.162 10.918 1.00 12.35 H new ATOM 0 HG LEU A 215 7.770 -1.970 9.515 1.00 20.32 H new ATOM 0 HD11 LEU A 215 9.135 -0.474 10.981 1.00 71.01 H new ATOM 0 HD12 LEU A 215 8.179 -1.652 11.912 1.00 71.01 H new ATOM 0 HD13 LEU A 215 9.924 -1.910 11.676 1.00 71.01 H new ATOM 0 HD21 LEU A 215 9.863 -0.955 8.674 1.00 4.41 H new ATOM 0 HD22 LEU A 215 10.748 -2.424 9.147 1.00 4.41 H new ATOM 0 HD23 LEU A 215 9.486 -2.510 7.895 1.00 4.41 H new ATOM 660 N GLU A 216 6.884 -6.602 9.089 1.00 12.02 N ATOM 661 CA GLU A 216 6.286 -7.913 9.400 1.00 2.42 C ATOM 662 C GLU A 216 6.447 -8.910 8.214 1.00 63.40 C ATOM 663 O GLU A 216 6.350 -10.129 8.400 1.00 54.33 O ATOM 664 CB GLU A 216 4.785 -7.712 9.745 1.00 5.41 C ATOM 665 CG GLU A 216 4.092 -8.927 10.380 1.00 72.22 C ATOM 666 CD GLU A 216 4.694 -9.300 11.747 1.00 74.45 C ATOM 667 OE1 GLU A 216 4.381 -8.618 12.741 1.00 10.33 O ATOM 668 OE2 GLU A 216 5.488 -10.267 11.833 1.00 22.40 O ATOM 0 H GLU A 216 6.240 -5.968 8.616 1.00 12.02 H new ATOM 0 HA GLU A 216 6.807 -8.344 10.255 1.00 2.42 H new ATOM 0 HB2 GLU A 216 4.695 -6.866 10.426 1.00 5.41 H new ATOM 0 HB3 GLU A 216 4.251 -7.445 8.833 1.00 5.41 H new ATOM 0 HG2 GLU A 216 3.030 -8.714 10.500 1.00 72.22 H new ATOM 0 HG3 GLU A 216 4.172 -9.780 9.706 1.00 72.22 H new ATOM 675 N GLY A 217 6.699 -8.378 6.994 1.00 23.22 N ATOM 676 CA GLY A 217 7.001 -9.207 5.812 1.00 71.04 C ATOM 677 C GLY A 217 6.150 -8.874 4.579 1.00 41.14 C ATOM 678 O GLY A 217 5.767 -7.716 4.399 1.00 72.43 O ATOM 0 H GLY A 217 6.698 -7.375 6.807 1.00 23.22 H new ATOM 0 HA2 GLY A 217 8.054 -9.087 5.557 1.00 71.04 H new ATOM 0 HA3 GLY A 217 6.853 -10.256 6.070 1.00 71.04 H new ATOM 682 N PRO A 218 5.853 -9.877 3.684 1.00 34.31 N ATOM 683 CA PRO A 218 5.072 -9.653 2.443 1.00 34.42 C ATOM 684 C PRO A 218 3.560 -9.507 2.727 1.00 61.03 C ATOM 685 O PRO A 218 2.955 -10.343 3.426 1.00 2.34 O ATOM 686 CB PRO A 218 5.386 -10.922 1.617 1.00 55.34 C ATOM 687 CG PRO A 218 5.597 -11.997 2.640 1.00 53.21 C ATOM 688 CD PRO A 218 6.254 -11.313 3.824 1.00 42.34 C ATOM 0 HA PRO A 218 5.334 -8.728 1.930 1.00 34.42 H new ATOM 0 HB2 PRO A 218 4.565 -11.170 0.945 1.00 55.34 H new ATOM 0 HB3 PRO A 218 6.273 -10.783 0.999 1.00 55.34 H new ATOM 0 HG2 PRO A 218 4.651 -12.455 2.928 1.00 53.21 H new ATOM 0 HG3 PRO A 218 6.230 -12.793 2.247 1.00 53.21 H new ATOM 0 HD2 PRO A 218 5.909 -11.733 4.769 1.00 42.34 H new ATOM 0 HD3 PRO A 218 7.338 -11.429 3.800 1.00 42.34 H new ATOM 696 N VAL A 219 2.955 -8.416 2.217 1.00 2.44 N ATOM 697 CA VAL A 219 1.503 -8.172 2.336 1.00 52.24 C ATOM 698 C VAL A 219 0.899 -7.814 0.959 1.00 72.40 C ATOM 699 O VAL A 219 1.447 -6.987 0.236 1.00 70.30 O ATOM 700 CB VAL A 219 1.181 -7.053 3.402 1.00 3.33 C ATOM 701 CG1 VAL A 219 1.682 -7.448 4.814 1.00 32.25 C ATOM 702 CG2 VAL A 219 1.710 -5.656 2.983 1.00 21.51 C ATOM 0 H VAL A 219 3.455 -7.683 1.714 1.00 2.44 H new ATOM 0 HA VAL A 219 1.041 -9.094 2.688 1.00 52.24 H new ATOM 0 HB VAL A 219 0.095 -6.974 3.445 1.00 3.33 H new ATOM 0 HG11 VAL A 219 1.442 -6.653 5.521 1.00 32.25 H new ATOM 0 HG12 VAL A 219 1.195 -8.371 5.128 1.00 32.25 H new ATOM 0 HG13 VAL A 219 2.761 -7.598 4.788 1.00 32.25 H new ATOM 0 HG21 VAL A 219 1.460 -4.926 3.753 1.00 21.51 H new ATOM 0 HG22 VAL A 219 2.792 -5.698 2.861 1.00 21.51 H new ATOM 0 HG23 VAL A 219 1.250 -5.360 2.040 1.00 21.51 H new ATOM 712 N GLU A 220 -0.215 -8.470 0.590 1.00 1.34 N ATOM 713 CA GLU A 220 -0.912 -8.213 -0.683 1.00 44.21 C ATOM 714 C GLU A 220 -1.735 -6.917 -0.579 1.00 1.45 C ATOM 715 O GLU A 220 -2.802 -6.900 0.037 1.00 15.00 O ATOM 716 CB GLU A 220 -1.817 -9.423 -1.045 1.00 13.13 C ATOM 717 CG GLU A 220 -1.041 -10.720 -1.345 1.00 2.33 C ATOM 718 CD GLU A 220 -1.940 -11.951 -1.545 1.00 51.12 C ATOM 719 OE1 GLU A 220 -2.517 -12.111 -2.639 1.00 64.04 O ATOM 720 OE2 GLU A 220 -2.052 -12.782 -0.617 1.00 20.11 O ATOM 0 H GLU A 220 -0.656 -9.190 1.162 1.00 1.34 H new ATOM 0 HA GLU A 220 -0.178 -8.087 -1.479 1.00 44.21 H new ATOM 0 HB2 GLU A 220 -2.507 -9.607 -0.221 1.00 13.13 H new ATOM 0 HB3 GLU A 220 -2.421 -9.164 -1.915 1.00 13.13 H new ATOM 0 HG2 GLU A 220 -0.439 -10.572 -2.241 1.00 2.33 H new ATOM 0 HG3 GLU A 220 -0.350 -10.916 -0.525 1.00 2.33 H new ATOM 727 N VAL A 221 -1.216 -5.846 -1.200 1.00 72.10 N ATOM 728 CA VAL A 221 -1.851 -4.530 -1.239 1.00 64.11 C ATOM 729 C VAL A 221 -2.700 -4.448 -2.509 1.00 52.41 C ATOM 730 O VAL A 221 -2.186 -4.652 -3.624 1.00 5.43 O ATOM 731 CB VAL A 221 -0.780 -3.361 -1.242 1.00 73.33 C ATOM 732 CG1 VAL A 221 -1.456 -1.962 -1.258 1.00 64.12 C ATOM 733 CG2 VAL A 221 0.194 -3.497 -0.046 1.00 55.53 C ATOM 0 H VAL A 221 -0.326 -5.877 -1.697 1.00 72.10 H new ATOM 0 HA VAL A 221 -2.466 -4.409 -0.347 1.00 64.11 H new ATOM 0 HB VAL A 221 -0.201 -3.451 -2.161 1.00 73.33 H new ATOM 0 HG11 VAL A 221 -0.689 -1.187 -1.260 1.00 64.12 H new ATOM 0 HG12 VAL A 221 -2.071 -1.865 -2.153 1.00 64.12 H new ATOM 0 HG13 VAL A 221 -2.082 -1.850 -0.373 1.00 64.12 H new ATOM 0 HG21 VAL A 221 0.918 -2.683 -0.072 1.00 55.53 H new ATOM 0 HG22 VAL A 221 -0.367 -3.454 0.887 1.00 55.53 H new ATOM 0 HG23 VAL A 221 0.718 -4.451 -0.110 1.00 55.53 H new ATOM 743 N ALA A 222 -4.000 -4.186 -2.315 1.00 33.13 N ATOM 744 CA ALA A 222 -4.962 -4.020 -3.395 1.00 35.11 C ATOM 745 C ALA A 222 -4.654 -2.722 -4.157 1.00 32.14 C ATOM 746 O ALA A 222 -4.956 -1.617 -3.681 1.00 53.12 O ATOM 747 CB ALA A 222 -6.382 -4.016 -2.796 1.00 63.12 C ATOM 0 H ALA A 222 -4.411 -4.083 -1.387 1.00 33.13 H new ATOM 0 HA ALA A 222 -4.895 -4.843 -4.107 1.00 35.11 H new ATOM 0 HB1 ALA A 222 -7.113 -3.892 -3.595 1.00 63.12 H new ATOM 0 HB2 ALA A 222 -6.563 -4.960 -2.282 1.00 63.12 H new ATOM 0 HB3 ALA A 222 -6.476 -3.193 -2.087 1.00 63.12 H new ATOM 753 N VAL A 223 -3.974 -2.881 -5.303 1.00 12.44 N ATOM 754 CA VAL A 223 -3.675 -1.784 -6.238 1.00 70.52 C ATOM 755 C VAL A 223 -4.950 -1.467 -7.049 1.00 60.33 C ATOM 756 O VAL A 223 -5.465 -2.367 -7.728 1.00 53.15 O ATOM 757 CB VAL A 223 -2.497 -2.159 -7.228 1.00 31.21 C ATOM 758 CG1 VAL A 223 -2.190 -1.005 -8.225 1.00 51.10 C ATOM 759 CG2 VAL A 223 -1.227 -2.572 -6.446 1.00 64.45 C ATOM 0 H VAL A 223 -3.612 -3.784 -5.610 1.00 12.44 H new ATOM 0 HA VAL A 223 -3.356 -0.915 -5.662 1.00 70.52 H new ATOM 0 HB VAL A 223 -2.827 -3.015 -7.817 1.00 31.21 H new ATOM 0 HG11 VAL A 223 -1.376 -1.302 -8.886 1.00 51.10 H new ATOM 0 HG12 VAL A 223 -3.079 -0.790 -8.818 1.00 51.10 H new ATOM 0 HG13 VAL A 223 -1.899 -0.113 -7.670 1.00 51.10 H new ATOM 0 HG21 VAL A 223 -0.433 -2.825 -7.149 1.00 64.45 H new ATOM 0 HG22 VAL A 223 -0.903 -1.744 -5.815 1.00 64.45 H new ATOM 0 HG23 VAL A 223 -1.449 -3.438 -5.823 1.00 64.45 H new ATOM 769 N PRO A 224 -5.495 -0.204 -6.986 1.00 51.34 N ATOM 770 CA PRO A 224 -6.698 0.195 -7.772 1.00 33.15 C ATOM 771 C PRO A 224 -6.440 0.152 -9.307 1.00 23.41 C ATOM 772 O PRO A 224 -5.280 0.174 -9.739 1.00 73.51 O ATOM 773 CB PRO A 224 -6.988 1.640 -7.266 1.00 22.10 C ATOM 774 CG PRO A 224 -5.678 2.140 -6.738 1.00 11.32 C ATOM 775 CD PRO A 224 -4.999 0.927 -6.143 1.00 21.32 C ATOM 0 HA PRO A 224 -7.540 -0.482 -7.628 1.00 33.15 H new ATOM 0 HB2 PRO A 224 -7.355 2.274 -8.073 1.00 22.10 H new ATOM 0 HB3 PRO A 224 -7.752 1.639 -6.488 1.00 22.10 H new ATOM 0 HG2 PRO A 224 -5.075 2.578 -7.533 1.00 11.32 H new ATOM 0 HG3 PRO A 224 -5.827 2.916 -5.987 1.00 11.32 H new ATOM 0 HD2 PRO A 224 -3.913 1.014 -6.187 1.00 21.32 H new ATOM 0 HD3 PRO A 224 -5.266 0.792 -5.095 1.00 21.32 H new ATOM 783 N PRO A 225 -7.507 0.008 -10.158 1.00 1.21 N ATOM 784 CA PRO A 225 -7.377 0.165 -11.629 1.00 21.01 C ATOM 785 C PRO A 225 -6.999 1.613 -12.008 1.00 52.14 C ATOM 786 O PRO A 225 -7.448 2.563 -11.353 1.00 63.43 O ATOM 787 CB PRO A 225 -8.787 -0.231 -12.166 1.00 54.15 C ATOM 788 CG PRO A 225 -9.435 -0.996 -11.044 1.00 74.12 C ATOM 789 CD PRO A 225 -8.896 -0.371 -9.780 1.00 12.54 C ATOM 0 HA PRO A 225 -6.584 -0.449 -12.055 1.00 21.01 H new ATOM 0 HB2 PRO A 225 -9.370 0.651 -12.430 1.00 54.15 H new ATOM 0 HB3 PRO A 225 -8.709 -0.842 -13.065 1.00 54.15 H new ATOM 0 HG2 PRO A 225 -10.521 -0.919 -11.090 1.00 74.12 H new ATOM 0 HG3 PRO A 225 -9.188 -2.056 -11.096 1.00 74.12 H new ATOM 0 HD2 PRO A 225 -9.482 0.496 -9.477 1.00 12.54 H new ATOM 0 HD3 PRO A 225 -8.910 -1.072 -8.946 1.00 12.54 H new ATOM 797 N ARG A 226 -6.156 1.751 -13.051 1.00 21.15 N ATOM 798 CA ARG A 226 -5.693 3.047 -13.593 1.00 73.32 C ATOM 799 C ARG A 226 -4.829 3.785 -12.552 1.00 2.32 C ATOM 800 O ARG A 226 -5.224 4.815 -12.001 1.00 4.41 O ATOM 801 CB ARG A 226 -6.882 3.930 -14.067 1.00 44.42 C ATOM 802 CG ARG A 226 -7.759 3.307 -15.175 1.00 53.22 C ATOM 803 CD ARG A 226 -9.085 4.060 -15.336 1.00 1.44 C ATOM 804 NE ARG A 226 -9.859 4.014 -14.080 1.00 21.15 N ATOM 805 CZ ARG A 226 -10.814 4.874 -13.699 1.00 54.55 C ATOM 806 NH1 ARG A 226 -11.160 5.910 -14.465 1.00 53.25 N ATOM 807 NH2 ARG A 226 -11.430 4.686 -12.535 1.00 72.34 N ATOM 0 H ARG A 226 -5.770 0.950 -13.551 1.00 21.15 H new ATOM 0 HA ARG A 226 -5.078 2.844 -14.470 1.00 73.32 H new ATOM 0 HB2 ARG A 226 -7.514 4.153 -13.207 1.00 44.42 H new ATOM 0 HB3 ARG A 226 -6.488 4.880 -14.428 1.00 44.42 H new ATOM 0 HG2 ARG A 226 -7.216 3.320 -16.120 1.00 53.22 H new ATOM 0 HG3 ARG A 226 -7.960 2.262 -14.937 1.00 53.22 H new ATOM 0 HD2 ARG A 226 -8.891 5.096 -15.613 1.00 1.44 H new ATOM 0 HD3 ARG A 226 -9.666 3.617 -16.145 1.00 1.44 H new ATOM 0 HE ARG A 226 -9.646 3.251 -13.437 1.00 21.15 H new ATOM 0 HH11 ARG A 226 -10.695 6.060 -15.360 1.00 53.25 H new ATOM 0 HH12 ARG A 226 -11.890 6.552 -14.155 1.00 53.25 H new ATOM 0 HH21 ARG A 226 -11.174 3.895 -11.944 1.00 72.34 H new ATOM 0 HH22 ARG A 226 -12.158 5.333 -12.233 1.00 72.34 H new ATOM 821 N THR A 227 -3.669 3.194 -12.259 1.00 41.02 N ATOM 822 CA THR A 227 -2.702 3.726 -11.296 1.00 52.13 C ATOM 823 C THR A 227 -1.472 4.282 -12.036 1.00 72.35 C ATOM 824 O THR A 227 -0.969 3.647 -12.967 1.00 14.01 O ATOM 825 CB THR A 227 -2.280 2.612 -10.284 1.00 20.51 C ATOM 826 OG1 THR A 227 -3.429 2.173 -9.551 1.00 43.31 O ATOM 827 CG2 THR A 227 -1.205 3.080 -9.296 1.00 45.31 C ATOM 0 H THR A 227 -3.370 2.319 -12.690 1.00 41.02 H new ATOM 0 HA THR A 227 -3.167 4.539 -10.738 1.00 52.13 H new ATOM 0 HB THR A 227 -1.854 1.796 -10.868 1.00 20.51 H new ATOM 0 HG1 THR A 227 -3.823 1.394 -9.997 1.00 43.31 H new ATOM 0 HG21 THR A 227 -0.953 2.264 -8.619 1.00 45.31 H new ATOM 0 HG22 THR A 227 -0.314 3.384 -9.845 1.00 45.31 H new ATOM 0 HG23 THR A 227 -1.583 3.925 -8.721 1.00 45.31 H new ATOM 835 N GLN A 228 -1.029 5.493 -11.627 1.00 21.35 N ATOM 836 CA GLN A 228 0.180 6.156 -12.165 1.00 13.11 C ATOM 837 C GLN A 228 1.312 6.143 -11.111 1.00 64.34 C ATOM 838 O GLN A 228 1.054 6.001 -9.910 1.00 45.20 O ATOM 839 CB GLN A 228 -0.109 7.625 -12.604 1.00 25.51 C ATOM 840 CG GLN A 228 -1.257 7.821 -13.626 1.00 62.24 C ATOM 841 CD GLN A 228 -2.654 7.878 -12.990 1.00 52.44 C ATOM 842 OE1 GLN A 228 -3.343 6.872 -12.854 1.00 63.23 O ATOM 843 NE2 GLN A 228 -3.061 9.061 -12.568 1.00 40.23 N ATOM 0 H GLN A 228 -1.504 6.041 -10.910 1.00 21.35 H new ATOM 0 HA GLN A 228 0.492 5.596 -13.046 1.00 13.11 H new ATOM 0 HB2 GLN A 228 -0.340 8.209 -11.713 1.00 25.51 H new ATOM 0 HB3 GLN A 228 0.804 8.041 -13.030 1.00 25.51 H new ATOM 0 HG2 GLN A 228 -1.083 8.743 -14.180 1.00 62.24 H new ATOM 0 HG3 GLN A 228 -1.230 7.005 -14.348 1.00 62.24 H new ATOM 0 HE21 GLN A 228 -2.466 9.880 -12.695 1.00 40.23 H new ATOM 0 HE22 GLN A 228 -3.970 9.156 -12.115 1.00 40.23 H new ATOM 852 N ALA A 229 2.563 6.274 -11.596 1.00 54.51 N ATOM 853 CA ALA A 229 3.763 6.427 -10.756 1.00 55.55 C ATOM 854 C ALA A 229 3.773 7.829 -10.139 1.00 61.32 C ATOM 855 O ALA A 229 3.801 8.834 -10.863 1.00 21.14 O ATOM 856 CB ALA A 229 5.034 6.191 -11.589 1.00 50.51 C ATOM 0 H ALA A 229 2.769 6.276 -12.595 1.00 54.51 H new ATOM 0 HA ALA A 229 3.742 5.686 -9.957 1.00 55.55 H new ATOM 0 HB1 ALA A 229 5.912 6.308 -10.954 1.00 50.51 H new ATOM 0 HB2 ALA A 229 5.016 5.182 -12.002 1.00 50.51 H new ATOM 0 HB3 ALA A 229 5.076 6.915 -12.402 1.00 50.51 H new ATOM 862 N GLY A 230 3.740 7.882 -8.810 1.00 24.43 N ATOM 863 CA GLY A 230 3.567 9.131 -8.076 1.00 14.43 C ATOM 864 C GLY A 230 2.254 9.164 -7.308 1.00 3.10 C ATOM 865 O GLY A 230 2.021 10.110 -6.551 1.00 61.54 O ATOM 0 H GLY A 230 3.832 7.060 -8.213 1.00 24.43 H new ATOM 0 HA2 GLY A 230 4.397 9.261 -7.381 1.00 14.43 H new ATOM 0 HA3 GLY A 230 3.601 9.969 -8.773 1.00 14.43 H new ATOM 869 N ARG A 231 1.376 8.138 -7.499 1.00 15.22 N ATOM 870 CA ARG A 231 0.189 7.956 -6.638 1.00 40.03 C ATOM 871 C ARG A 231 0.619 7.580 -5.209 1.00 5.51 C ATOM 872 O ARG A 231 1.723 7.073 -4.990 1.00 24.24 O ATOM 873 CB ARG A 231 -0.809 6.878 -7.176 1.00 72.12 C ATOM 874 CG ARG A 231 -1.673 7.306 -8.387 1.00 24.12 C ATOM 875 CD ARG A 231 -2.893 6.386 -8.595 1.00 43.34 C ATOM 876 NE ARG A 231 -3.675 6.716 -9.803 1.00 20.11 N ATOM 877 CZ ARG A 231 -4.935 7.172 -9.813 1.00 43.34 C ATOM 878 NH1 ARG A 231 -5.609 7.372 -8.685 1.00 23.33 N ATOM 879 NH2 ARG A 231 -5.537 7.372 -10.969 1.00 74.51 N ATOM 0 H ARG A 231 1.473 7.437 -8.234 1.00 15.22 H new ATOM 0 HA ARG A 231 -0.336 8.911 -6.640 1.00 40.03 H new ATOM 0 HB2 ARG A 231 -0.241 5.991 -7.455 1.00 72.12 H new ATOM 0 HB3 ARG A 231 -1.475 6.588 -6.363 1.00 72.12 H new ATOM 0 HG2 ARG A 231 -2.015 8.331 -8.241 1.00 24.12 H new ATOM 0 HG3 ARG A 231 -1.059 7.300 -9.288 1.00 24.12 H new ATOM 0 HD2 ARG A 231 -2.553 5.353 -8.662 1.00 43.34 H new ATOM 0 HD3 ARG A 231 -3.542 6.452 -7.722 1.00 43.34 H new ATOM 0 HE ARG A 231 -3.218 6.586 -10.706 1.00 20.11 H new ATOM 0 HH11 ARG A 231 -5.168 7.178 -7.786 1.00 23.33 H new ATOM 0 HH12 ARG A 231 -6.567 7.720 -8.718 1.00 23.33 H new ATOM 0 HH21 ARG A 231 -5.044 7.180 -11.841 1.00 74.51 H new ATOM 0 HH22 ARG A 231 -6.496 7.719 -10.991 1.00 74.51 H new ATOM 893 N LYS A 232 -0.275 7.831 -4.254 1.00 24.25 N ATOM 894 CA LYS A 232 -0.051 7.547 -2.834 1.00 42.52 C ATOM 895 C LYS A 232 -1.256 6.768 -2.273 1.00 22.21 C ATOM 896 O LYS A 232 -2.414 7.038 -2.632 1.00 71.10 O ATOM 897 CB LYS A 232 0.244 8.876 -2.064 1.00 23.31 C ATOM 898 CG LYS A 232 -0.632 10.091 -2.479 1.00 33.32 C ATOM 899 CD LYS A 232 -0.175 11.406 -1.814 1.00 73.43 C ATOM 900 CE LYS A 232 -0.913 12.647 -2.338 1.00 31.44 C ATOM 901 NZ LYS A 232 -0.450 13.885 -1.656 1.00 52.25 N ATOM 0 H LYS A 232 -1.188 8.243 -4.445 1.00 24.25 H new ATOM 0 HA LYS A 232 0.827 6.914 -2.702 1.00 42.52 H new ATOM 0 HB2 LYS A 232 0.107 8.697 -0.998 1.00 23.31 H new ATOM 0 HB3 LYS A 232 1.292 9.137 -2.211 1.00 23.31 H new ATOM 0 HG2 LYS A 232 -0.599 10.205 -3.562 1.00 33.32 H new ATOM 0 HG3 LYS A 232 -1.670 9.894 -2.211 1.00 33.32 H new ATOM 0 HD2 LYS A 232 -0.326 11.331 -0.737 1.00 73.43 H new ATOM 0 HD3 LYS A 232 0.895 11.534 -1.977 1.00 73.43 H new ATOM 0 HE2 LYS A 232 -0.753 12.740 -3.412 1.00 31.44 H new ATOM 0 HE3 LYS A 232 -1.985 12.525 -2.185 1.00 31.44 H new ATOM 0 HZ1 LYS A 232 -0.618 14.705 -2.273 1.00 52.25 H new ATOM 0 HZ2 LYS A 232 -0.974 14.008 -0.766 1.00 52.25 H new ATOM 0 HZ3 LYS A 232 0.567 13.809 -1.451 1.00 52.25 H new ATOM 915 N LEU A 233 -0.951 5.753 -1.442 1.00 51.52 N ATOM 916 CA LEU A 233 -1.930 4.848 -0.819 1.00 43.31 C ATOM 917 C LEU A 233 -1.678 4.838 0.697 1.00 2.12 C ATOM 918 O LEU A 233 -0.731 4.184 1.156 1.00 20.40 O ATOM 919 CB LEU A 233 -1.765 3.393 -1.371 1.00 62.31 C ATOM 920 CG LEU A 233 -1.805 3.198 -2.916 1.00 4.15 C ATOM 921 CD1 LEU A 233 -1.516 1.725 -3.292 1.00 43.12 C ATOM 922 CD2 LEU A 233 -3.137 3.678 -3.521 1.00 2.32 C ATOM 0 H LEU A 233 0.010 5.536 -1.180 1.00 51.52 H new ATOM 0 HA LEU A 233 -2.938 5.195 -1.046 1.00 43.31 H new ATOM 0 HB2 LEU A 233 -0.815 3.002 -1.008 1.00 62.31 H new ATOM 0 HB3 LEU A 233 -2.551 2.777 -0.934 1.00 62.31 H new ATOM 0 HG LEU A 233 -1.018 3.819 -3.345 1.00 4.15 H new ATOM 0 HD11 LEU A 233 -1.549 1.613 -4.376 1.00 43.12 H new ATOM 0 HD12 LEU A 233 -0.528 1.444 -2.928 1.00 43.12 H new ATOM 0 HD13 LEU A 233 -2.267 1.079 -2.837 1.00 43.12 H new ATOM 0 HD21 LEU A 233 -3.123 3.524 -4.600 1.00 2.32 H new ATOM 0 HD22 LEU A 233 -3.960 3.112 -3.084 1.00 2.32 H new ATOM 0 HD23 LEU A 233 -3.272 4.738 -3.307 1.00 2.32 H new ATOM 934 N ARG A 234 -2.474 5.581 1.476 1.00 71.52 N ATOM 935 CA ARG A 234 -2.349 5.557 2.937 1.00 64.02 C ATOM 936 C ARG A 234 -3.277 4.468 3.477 1.00 33.10 C ATOM 937 O ARG A 234 -4.502 4.630 3.520 1.00 63.24 O ATOM 938 CB ARG A 234 -2.633 6.944 3.588 1.00 61.22 C ATOM 939 CG ARG A 234 -2.177 7.029 5.062 1.00 31.00 C ATOM 940 CD ARG A 234 -2.131 8.463 5.617 1.00 35.42 C ATOM 941 NE ARG A 234 -3.467 9.071 5.734 1.00 41.34 N ATOM 942 CZ ARG A 234 -3.810 9.997 6.649 1.00 75.34 C ATOM 943 NH1 ARG A 234 -2.921 10.445 7.534 1.00 40.24 N ATOM 944 NH2 ARG A 234 -5.051 10.456 6.679 1.00 74.51 N ATOM 0 H ARG A 234 -3.204 6.200 1.123 1.00 71.52 H new ATOM 0 HA ARG A 234 -1.317 5.328 3.203 1.00 64.02 H new ATOM 0 HB2 ARG A 234 -2.127 7.719 3.012 1.00 61.22 H new ATOM 0 HB3 ARG A 234 -3.701 7.152 3.532 1.00 61.22 H new ATOM 0 HG2 ARG A 234 -2.852 6.433 5.676 1.00 31.00 H new ATOM 0 HG3 ARG A 234 -1.187 6.583 5.152 1.00 31.00 H new ATOM 0 HD2 ARG A 234 -1.654 8.454 6.597 1.00 35.42 H new ATOM 0 HD3 ARG A 234 -1.511 9.080 4.966 1.00 35.42 H new ATOM 0 HE ARG A 234 -4.184 8.769 5.074 1.00 41.34 H new ATOM 0 HH11 ARG A 234 -1.966 10.086 7.524 1.00 40.24 H new ATOM 0 HH12 ARG A 234 -3.195 11.147 8.222 1.00 40.24 H new ATOM 0 HH21 ARG A 234 -5.740 10.108 6.012 1.00 74.51 H new ATOM 0 HH22 ARG A 234 -5.319 11.158 7.369 1.00 74.51 H new ATOM 958 N LEU A 235 -2.655 3.340 3.817 1.00 32.02 N ATOM 959 CA LEU A 235 -3.312 2.149 4.348 1.00 11.20 C ATOM 960 C LEU A 235 -3.659 2.407 5.820 1.00 53.44 C ATOM 961 O LEU A 235 -2.892 2.064 6.732 1.00 5.21 O ATOM 962 CB LEU A 235 -2.345 0.948 4.167 1.00 52.13 C ATOM 963 CG LEU A 235 -1.777 0.769 2.719 1.00 73.43 C ATOM 964 CD1 LEU A 235 -0.523 -0.111 2.724 1.00 4.34 C ATOM 965 CD2 LEU A 235 -2.836 0.237 1.737 1.00 22.23 C ATOM 0 H LEU A 235 -1.645 3.227 3.727 1.00 32.02 H new ATOM 0 HA LEU A 235 -4.239 1.919 3.823 1.00 11.20 H new ATOM 0 HB2 LEU A 235 -1.509 1.066 4.857 1.00 52.13 H new ATOM 0 HB3 LEU A 235 -2.867 0.034 4.452 1.00 52.13 H new ATOM 0 HG LEU A 235 -1.492 1.759 2.363 1.00 73.43 H new ATOM 0 HD11 LEU A 235 -0.150 -0.218 1.706 1.00 4.34 H new ATOM 0 HD12 LEU A 235 0.244 0.352 3.345 1.00 4.34 H new ATOM 0 HD13 LEU A 235 -0.770 -1.094 3.126 1.00 4.34 H new ATOM 0 HD21 LEU A 235 -2.393 0.130 0.747 1.00 22.23 H new ATOM 0 HD22 LEU A 235 -3.196 -0.733 2.080 1.00 22.23 H new ATOM 0 HD23 LEU A 235 -3.670 0.937 1.688 1.00 22.23 H new ATOM 977 N LYS A 236 -4.803 3.076 6.011 1.00 50.34 N ATOM 978 CA LYS A 236 -5.282 3.554 7.319 1.00 53.41 C ATOM 979 C LYS A 236 -5.634 2.383 8.243 1.00 40.32 C ATOM 980 O LYS A 236 -6.279 1.420 7.807 1.00 11.45 O ATOM 981 CB LYS A 236 -6.516 4.444 7.102 1.00 13.03 C ATOM 982 CG LYS A 236 -6.241 5.732 6.299 1.00 43.22 C ATOM 983 CD LYS A 236 -7.497 6.618 6.222 1.00 74.21 C ATOM 984 CE LYS A 236 -8.618 5.957 5.397 1.00 40.21 C ATOM 985 NZ LYS A 236 -9.854 6.777 5.397 1.00 42.01 N ATOM 0 H LYS A 236 -5.437 3.306 5.246 1.00 50.34 H new ATOM 0 HA LYS A 236 -4.488 4.126 7.798 1.00 53.41 H new ATOM 0 HB2 LYS A 236 -7.280 3.864 6.584 1.00 13.03 H new ATOM 0 HB3 LYS A 236 -6.927 4.717 8.074 1.00 13.03 H new ATOM 0 HG2 LYS A 236 -5.428 6.288 6.766 1.00 43.22 H new ATOM 0 HG3 LYS A 236 -5.913 5.473 5.292 1.00 43.22 H new ATOM 0 HD2 LYS A 236 -7.860 6.822 7.230 1.00 74.21 H new ATOM 0 HD3 LYS A 236 -7.237 7.578 5.777 1.00 74.21 H new ATOM 0 HE2 LYS A 236 -8.278 5.811 4.372 1.00 40.21 H new ATOM 0 HE3 LYS A 236 -8.836 4.970 5.804 1.00 40.21 H new ATOM 0 HZ1 LYS A 236 -10.586 6.301 4.832 1.00 42.01 H new ATOM 0 HZ2 LYS A 236 -10.192 6.895 6.373 1.00 42.01 H new ATOM 0 HZ3 LYS A 236 -9.651 7.710 4.985 1.00 42.01 H new ATOM 999 N GLY A 237 -5.190 2.473 9.511 1.00 60.21 N ATOM 1000 CA GLY A 237 -5.428 1.418 10.499 1.00 22.30 C ATOM 1001 C GLY A 237 -4.632 0.135 10.204 1.00 22.50 C ATOM 1002 O GLY A 237 -4.836 -0.899 10.849 1.00 73.11 O ATOM 0 H GLY A 237 -4.664 3.270 9.870 1.00 60.21 H new ATOM 0 HA2 GLY A 237 -5.160 1.787 11.489 1.00 22.30 H new ATOM 0 HA3 GLY A 237 -6.492 1.183 10.523 1.00 22.30 H new ATOM 1006 N LYS A 238 -3.693 0.235 9.238 1.00 32.54 N ATOM 1007 CA LYS A 238 -2.946 -0.897 8.661 1.00 50.42 C ATOM 1008 C LYS A 238 -1.432 -0.562 8.573 1.00 41.40 C ATOM 1009 O LYS A 238 -0.776 -0.826 7.567 1.00 63.21 O ATOM 1010 CB LYS A 238 -3.542 -1.254 7.255 1.00 74.12 C ATOM 1011 CG LYS A 238 -4.949 -1.890 7.268 1.00 61.31 C ATOM 1012 CD LYS A 238 -4.962 -3.301 7.906 1.00 1.12 C ATOM 1013 CE LYS A 238 -6.362 -3.940 7.917 1.00 43.44 C ATOM 1014 NZ LYS A 238 -6.889 -4.167 6.546 1.00 73.12 N ATOM 0 H LYS A 238 -3.429 1.131 8.829 1.00 32.54 H new ATOM 0 HA LYS A 238 -3.047 -1.768 9.308 1.00 50.42 H new ATOM 0 HB2 LYS A 238 -3.580 -0.345 6.655 1.00 74.12 H new ATOM 0 HB3 LYS A 238 -2.858 -1.939 6.754 1.00 74.12 H new ATOM 0 HG2 LYS A 238 -5.631 -1.241 7.817 1.00 61.31 H new ATOM 0 HG3 LYS A 238 -5.323 -1.954 6.246 1.00 61.31 H new ATOM 0 HD2 LYS A 238 -4.277 -3.948 7.358 1.00 1.12 H new ATOM 0 HD3 LYS A 238 -4.590 -3.235 8.928 1.00 1.12 H new ATOM 0 HE2 LYS A 238 -6.321 -4.890 8.450 1.00 43.44 H new ATOM 0 HE3 LYS A 238 -7.049 -3.296 8.466 1.00 43.44 H new ATOM 0 HZ1 LYS A 238 -7.786 -4.690 6.601 1.00 73.12 H new ATOM 0 HZ2 LYS A 238 -7.050 -3.251 6.080 1.00 73.12 H new ATOM 0 HZ3 LYS A 238 -6.200 -4.719 5.996 1.00 73.12 H new ATOM 1028 N GLY A 239 -0.900 0.057 9.635 1.00 65.44 N ATOM 1029 CA GLY A 239 0.551 0.176 9.850 1.00 51.42 C ATOM 1030 C GLY A 239 1.004 -0.856 10.863 1.00 21.12 C ATOM 1031 O GLY A 239 1.117 -2.042 10.533 1.00 54.23 O ATOM 0 H GLY A 239 -1.461 0.489 10.369 1.00 65.44 H new ATOM 0 HA2 GLY A 239 1.081 0.032 8.908 1.00 51.42 H new ATOM 0 HA3 GLY A 239 0.795 1.178 10.203 1.00 51.42 H new ATOM 1035 N PHE A 240 1.236 -0.417 12.112 1.00 73.43 N ATOM 1036 CA PHE A 240 1.426 -1.322 13.261 1.00 65.32 C ATOM 1037 C PHE A 240 0.053 -1.773 13.799 1.00 62.14 C ATOM 1038 O PHE A 240 -0.804 -0.920 14.078 1.00 0.21 O ATOM 1039 CB PHE A 240 2.260 -0.654 14.390 1.00 2.25 C ATOM 1040 CG PHE A 240 3.766 -0.811 14.209 1.00 11.31 C ATOM 1041 CD1 PHE A 240 4.415 -0.259 13.108 1.00 14.44 C ATOM 1042 CD2 PHE A 240 4.529 -1.515 15.142 1.00 53.04 C ATOM 1043 CE1 PHE A 240 5.780 -0.411 12.944 1.00 23.54 C ATOM 1044 CE2 PHE A 240 5.887 -1.664 14.975 1.00 70.42 C ATOM 1045 CZ PHE A 240 6.515 -1.109 13.879 1.00 44.34 C ATOM 0 H PHE A 240 1.297 0.572 12.354 1.00 73.43 H new ATOM 0 HA PHE A 240 1.985 -2.192 12.918 1.00 65.32 H new ATOM 0 HB2 PHE A 240 2.016 0.408 14.431 1.00 2.25 H new ATOM 0 HB3 PHE A 240 1.970 -1.085 15.348 1.00 2.25 H new ATOM 0 HD1 PHE A 240 3.847 0.294 12.374 1.00 14.44 H new ATOM 0 HD2 PHE A 240 4.048 -1.948 16.006 1.00 53.04 H new ATOM 0 HE1 PHE A 240 6.271 0.017 12.083 1.00 23.54 H new ATOM 0 HE2 PHE A 240 6.462 -2.216 15.703 1.00 70.42 H new ATOM 0 HZ PHE A 240 7.582 -1.221 13.753 1.00 44.34 H new ATOM 1055 N PRO A 241 -0.191 -3.115 13.927 1.00 4.13 N ATOM 1056 CA PRO A 241 -1.429 -3.652 14.530 1.00 61.05 C ATOM 1057 C PRO A 241 -1.467 -3.435 16.062 1.00 14.12 C ATOM 1058 O PRO A 241 -0.421 -3.250 16.705 1.00 72.44 O ATOM 1059 CB PRO A 241 -1.399 -5.167 14.154 1.00 72.12 C ATOM 1060 CG PRO A 241 -0.303 -5.297 13.130 1.00 20.10 C ATOM 1061 CD PRO A 241 0.695 -4.222 13.486 1.00 65.43 C ATOM 0 HA PRO A 241 -2.324 -3.150 14.163 1.00 61.05 H new ATOM 0 HB2 PRO A 241 -1.197 -5.786 15.028 1.00 72.12 H new ATOM 0 HB3 PRO A 241 -2.357 -5.491 13.749 1.00 72.12 H new ATOM 0 HG2 PRO A 241 0.154 -6.286 13.164 1.00 20.10 H new ATOM 0 HG3 PRO A 241 -0.688 -5.159 12.120 1.00 20.10 H new ATOM 0 HD2 PRO A 241 1.374 -4.541 14.277 1.00 65.43 H new ATOM 0 HD3 PRO A 241 1.310 -3.937 12.633 1.00 65.43 H new ATOM 1069 N GLY A 242 -2.683 -3.462 16.622 1.00 14.30 N ATOM 1070 CA GLY A 242 -2.906 -3.234 18.046 1.00 21.04 C ATOM 1071 C GLY A 242 -4.383 -3.355 18.421 1.00 62.24 C ATOM 1072 O GLY A 242 -5.244 -3.110 17.567 1.00 75.13 O ATOM 0 H GLY A 242 -3.538 -3.643 16.096 1.00 14.30 H new ATOM 0 HA2 GLY A 242 -2.325 -3.953 18.624 1.00 21.04 H new ATOM 0 HA3 GLY A 242 -2.544 -2.242 18.315 1.00 21.04 H new ATOM 1076 N PRO A 243 -4.713 -3.747 19.694 1.00 5.02 N ATOM 1077 CA PRO A 243 -6.117 -3.882 20.165 1.00 52.15 C ATOM 1078 C PRO A 243 -6.846 -2.522 20.352 1.00 40.13 C ATOM 1079 O PRO A 243 -8.075 -2.453 20.226 1.00 11.31 O ATOM 1080 CB PRO A 243 -5.957 -4.640 21.509 1.00 44.34 C ATOM 1081 CG PRO A 243 -4.592 -4.275 21.999 1.00 74.30 C ATOM 1082 CD PRO A 243 -3.739 -4.130 20.759 1.00 15.15 C ATOM 0 HA PRO A 243 -6.744 -4.399 19.439 1.00 52.15 H new ATOM 0 HB2 PRO A 243 -6.725 -4.343 22.223 1.00 44.34 H new ATOM 0 HB3 PRO A 243 -6.051 -5.717 21.368 1.00 44.34 H new ATOM 0 HG2 PRO A 243 -4.616 -3.346 22.569 1.00 74.30 H new ATOM 0 HG3 PRO A 243 -4.194 -5.045 22.660 1.00 74.30 H new ATOM 0 HD2 PRO A 243 -2.971 -3.368 20.890 1.00 15.15 H new ATOM 0 HD3 PRO A 243 -3.227 -5.061 20.516 1.00 15.15 H new ATOM 1090 N ALA A 244 -6.085 -1.452 20.667 1.00 41.24 N ATOM 1091 CA ALA A 244 -6.641 -0.092 20.915 1.00 54.34 C ATOM 1092 C ALA A 244 -6.053 0.963 19.954 1.00 74.30 C ATOM 1093 O ALA A 244 -6.705 1.971 19.653 1.00 45.52 O ATOM 1094 CB ALA A 244 -6.389 0.313 22.379 1.00 51.22 C ATOM 0 H ALA A 244 -5.070 -1.500 20.758 1.00 41.24 H new ATOM 0 HA ALA A 244 -7.714 -0.132 20.726 1.00 54.34 H new ATOM 0 HB1 ALA A 244 -6.797 1.308 22.557 1.00 51.22 H new ATOM 0 HB2 ALA A 244 -6.875 -0.402 23.043 1.00 51.22 H new ATOM 0 HB3 ALA A 244 -5.317 0.320 22.575 1.00 51.22 H new ATOM 1100 N GLY A 245 -4.827 0.712 19.461 1.00 1.52 N ATOM 1101 CA GLY A 245 -4.080 1.668 18.636 1.00 54.41 C ATOM 1102 C GLY A 245 -3.465 0.992 17.422 1.00 4.42 C ATOM 1103 O GLY A 245 -2.652 0.076 17.567 1.00 34.21 O ATOM 0 H GLY A 245 -4.329 -0.162 19.626 1.00 1.52 H new ATOM 0 HA2 GLY A 245 -4.745 2.468 18.311 1.00 54.41 H new ATOM 0 HA3 GLY A 245 -3.294 2.130 19.234 1.00 54.41 H new ATOM 1107 N ARG A 246 -3.882 1.415 16.218 1.00 4.42 N ATOM 1108 CA ARG A 246 -3.362 0.890 14.942 1.00 1.24 C ATOM 1109 C ARG A 246 -2.900 2.075 14.073 1.00 33.32 C ATOM 1110 O ARG A 246 -3.675 3.017 13.859 1.00 13.42 O ATOM 1111 CB ARG A 246 -4.469 0.056 14.224 1.00 22.13 C ATOM 1112 CG ARG A 246 -4.527 -1.421 14.669 1.00 12.32 C ATOM 1113 CD ARG A 246 -5.592 -2.252 13.936 1.00 22.23 C ATOM 1114 NE ARG A 246 -5.706 -3.608 14.506 1.00 54.35 N ATOM 1115 CZ ARG A 246 -6.272 -4.665 13.902 1.00 73.00 C ATOM 1116 NH1 ARG A 246 -6.806 -4.570 12.684 1.00 4.22 N ATOM 1117 NH2 ARG A 246 -6.324 -5.821 14.540 1.00 11.22 N ATOM 0 H ARG A 246 -4.594 2.136 16.100 1.00 4.42 H new ATOM 0 HA ARG A 246 -2.512 0.231 15.119 1.00 1.24 H new ATOM 0 HB2 ARG A 246 -5.438 0.520 14.410 1.00 22.13 H new ATOM 0 HB3 ARG A 246 -4.299 0.095 13.148 1.00 22.13 H new ATOM 0 HG2 ARG A 246 -3.550 -1.877 14.508 1.00 12.32 H new ATOM 0 HG3 ARG A 246 -4.724 -1.460 15.740 1.00 12.32 H new ATOM 0 HD2 ARG A 246 -6.556 -1.747 13.999 1.00 22.23 H new ATOM 0 HD3 ARG A 246 -5.337 -2.321 12.878 1.00 22.23 H new ATOM 0 HE ARG A 246 -5.322 -3.755 15.439 1.00 54.35 H new ATOM 0 HH11 ARG A 246 -6.791 -3.679 12.188 1.00 4.22 H new ATOM 0 HH12 ARG A 246 -7.230 -5.389 12.248 1.00 4.22 H new ATOM 0 HH21 ARG A 246 -5.937 -5.903 15.480 1.00 11.22 H new ATOM 0 HH22 ARG A 246 -6.751 -6.632 14.092 1.00 11.22 H new ATOM 1131 N GLY A 247 -1.639 2.026 13.590 1.00 72.12 N ATOM 1132 CA GLY A 247 -1.075 3.086 12.741 1.00 53.35 C ATOM 1133 C GLY A 247 -1.503 2.966 11.280 1.00 63.44 C ATOM 1134 O GLY A 247 -2.474 2.283 10.973 1.00 11.02 O ATOM 0 H GLY A 247 -0.994 1.258 13.778 1.00 72.12 H new ATOM 0 HA2 GLY A 247 -1.385 4.057 13.127 1.00 53.35 H new ATOM 0 HA3 GLY A 247 0.013 3.052 12.800 1.00 53.35 H new ATOM 1138 N ASP A 248 -0.771 3.618 10.368 1.00 4.42 N ATOM 1139 CA ASP A 248 -1.005 3.507 8.908 1.00 35.25 C ATOM 1140 C ASP A 248 0.309 3.219 8.180 1.00 32.11 C ATOM 1141 O ASP A 248 1.384 3.506 8.705 1.00 41.23 O ATOM 1142 CB ASP A 248 -1.647 4.799 8.345 1.00 41.04 C ATOM 1143 CG ASP A 248 -0.756 6.037 8.525 1.00 54.24 C ATOM 1144 OD1 ASP A 248 -0.820 6.656 9.605 1.00 71.25 O ATOM 1145 OD2 ASP A 248 0.001 6.399 7.592 1.00 31.34 O ATOM 0 H ASP A 248 0.001 4.238 10.613 1.00 4.42 H new ATOM 0 HA ASP A 248 -1.696 2.680 8.742 1.00 35.25 H new ATOM 0 HB2 ASP A 248 -1.859 4.661 7.285 1.00 41.04 H new ATOM 0 HB3 ASP A 248 -2.602 4.970 8.841 1.00 41.04 H new ATOM 1150 N LEU A 249 0.209 2.628 6.981 1.00 42.14 N ATOM 1151 CA LEU A 249 1.360 2.435 6.078 1.00 34.24 C ATOM 1152 C LEU A 249 1.146 3.282 4.815 1.00 52.53 C ATOM 1153 O LEU A 249 0.263 3.002 4.006 1.00 32.11 O ATOM 1154 CB LEU A 249 1.548 0.928 5.737 1.00 72.30 C ATOM 1155 CG LEU A 249 2.605 0.580 4.626 1.00 50.15 C ATOM 1156 CD1 LEU A 249 4.021 1.112 4.936 1.00 52.30 C ATOM 1157 CD2 LEU A 249 2.626 -0.939 4.350 1.00 71.30 C ATOM 0 H LEU A 249 -0.670 2.270 6.607 1.00 42.14 H new ATOM 0 HA LEU A 249 2.276 2.763 6.570 1.00 34.24 H new ATOM 0 HB2 LEU A 249 1.831 0.405 6.651 1.00 72.30 H new ATOM 0 HB3 LEU A 249 0.583 0.527 5.426 1.00 72.30 H new ATOM 0 HG LEU A 249 2.284 1.098 3.722 1.00 50.15 H new ATOM 0 HD11 LEU A 249 4.698 0.836 4.128 1.00 52.30 H new ATOM 0 HD12 LEU A 249 3.990 2.198 5.028 1.00 52.30 H new ATOM 0 HD13 LEU A 249 4.376 0.679 5.871 1.00 52.30 H new ATOM 0 HD21 LEU A 249 3.364 -1.158 3.578 1.00 71.30 H new ATOM 0 HD22 LEU A 249 2.888 -1.471 5.264 1.00 71.30 H new ATOM 0 HD23 LEU A 249 1.641 -1.261 4.012 1.00 71.30 H new ATOM 1169 N TYR A 250 1.950 4.330 4.682 1.00 12.21 N ATOM 1170 CA TYR A 250 1.858 5.297 3.585 1.00 41.12 C ATOM 1171 C TYR A 250 2.809 4.859 2.448 1.00 52.12 C ATOM 1172 O TYR A 250 4.034 4.938 2.595 1.00 4.33 O ATOM 1173 CB TYR A 250 2.216 6.693 4.162 1.00 0.25 C ATOM 1174 CG TYR A 250 1.858 7.906 3.305 1.00 22.35 C ATOM 1175 CD1 TYR A 250 0.665 7.951 2.588 1.00 5.13 C ATOM 1176 CD2 TYR A 250 2.677 9.040 3.276 1.00 63.20 C ATOM 1177 CE1 TYR A 250 0.303 9.067 1.872 1.00 0.24 C ATOM 1178 CE2 TYR A 250 2.323 10.158 2.552 1.00 73.43 C ATOM 1179 CZ TYR A 250 1.139 10.166 1.853 1.00 31.02 C ATOM 1180 OH TYR A 250 0.780 11.284 1.143 1.00 3.01 O ATOM 0 H TYR A 250 2.698 4.539 5.343 1.00 12.21 H new ATOM 0 HA TYR A 250 0.855 5.346 3.160 1.00 41.12 H new ATOM 0 HB2 TYR A 250 1.719 6.800 5.126 1.00 0.25 H new ATOM 0 HB3 TYR A 250 3.289 6.717 4.353 1.00 0.25 H new ATOM 0 HD1 TYR A 250 0.011 7.092 2.595 1.00 5.13 H new ATOM 0 HD2 TYR A 250 3.603 9.039 3.831 1.00 63.20 H new ATOM 0 HE1 TYR A 250 -0.630 9.084 1.328 1.00 0.24 H new ATOM 0 HE2 TYR A 250 2.971 11.022 2.534 1.00 73.43 H new ATOM 0 HH TYR A 250 -0.173 11.467 1.280 1.00 3.01 H new ATOM 1190 N LEU A 251 2.223 4.367 1.338 1.00 5.23 N ATOM 1191 CA LEU A 251 2.964 3.772 0.202 1.00 63.22 C ATOM 1192 C LEU A 251 2.837 4.634 -1.066 1.00 22.31 C ATOM 1193 O LEU A 251 1.737 4.804 -1.599 1.00 33.41 O ATOM 1194 CB LEU A 251 2.444 2.330 -0.094 1.00 73.13 C ATOM 1195 CG LEU A 251 2.864 1.213 0.913 1.00 11.33 C ATOM 1196 CD1 LEU A 251 2.264 -0.155 0.505 1.00 4.22 C ATOM 1197 CD2 LEU A 251 4.402 1.130 1.045 1.00 35.31 C ATOM 0 H LEU A 251 1.212 4.370 1.201 1.00 5.23 H new ATOM 0 HA LEU A 251 4.016 3.728 0.485 1.00 63.22 H new ATOM 0 HB2 LEU A 251 1.355 2.362 -0.132 1.00 73.13 H new ATOM 0 HB3 LEU A 251 2.789 2.041 -1.087 1.00 73.13 H new ATOM 0 HG LEU A 251 2.462 1.477 1.891 1.00 11.33 H new ATOM 0 HD11 LEU A 251 2.572 -0.916 1.222 1.00 4.22 H new ATOM 0 HD12 LEU A 251 1.176 -0.086 0.493 1.00 4.22 H new ATOM 0 HD13 LEU A 251 2.621 -0.427 -0.488 1.00 4.22 H new ATOM 0 HD21 LEU A 251 4.665 0.344 1.753 1.00 35.31 H new ATOM 0 HD22 LEU A 251 4.839 0.904 0.072 1.00 35.31 H new ATOM 0 HD23 LEU A 251 4.788 2.084 1.403 1.00 35.31 H new ATOM 1209 N GLU A 252 3.967 5.164 -1.552 1.00 4.22 N ATOM 1210 CA GLU A 252 4.021 5.890 -2.836 1.00 73.25 C ATOM 1211 C GLU A 252 4.250 4.886 -3.973 1.00 73.14 C ATOM 1212 O GLU A 252 5.343 4.322 -4.092 1.00 33.43 O ATOM 1213 CB GLU A 252 5.155 6.959 -2.840 1.00 20.23 C ATOM 1214 CG GLU A 252 4.981 8.127 -1.847 1.00 11.22 C ATOM 1215 CD GLU A 252 5.049 7.704 -0.373 1.00 20.04 C ATOM 1216 OE1 GLU A 252 6.101 7.174 0.038 1.00 72.12 O ATOM 1217 OE2 GLU A 252 4.069 7.920 0.382 1.00 64.25 O ATOM 0 H GLU A 252 4.866 5.105 -1.073 1.00 4.22 H new ATOM 0 HA GLU A 252 3.073 6.409 -2.978 1.00 73.25 H new ATOM 0 HB2 GLU A 252 6.099 6.460 -2.623 1.00 20.23 H new ATOM 0 HB3 GLU A 252 5.236 7.371 -3.846 1.00 20.23 H new ATOM 0 HG2 GLU A 252 5.754 8.871 -2.037 1.00 11.22 H new ATOM 0 HG3 GLU A 252 4.021 8.609 -2.033 1.00 11.22 H new ATOM 1224 N VAL A 253 3.205 4.660 -4.782 1.00 32.52 N ATOM 1225 CA VAL A 253 3.251 3.745 -5.929 1.00 43.34 C ATOM 1226 C VAL A 253 4.301 4.206 -6.948 1.00 73.52 C ATOM 1227 O VAL A 253 4.230 5.322 -7.459 1.00 11.34 O ATOM 1228 CB VAL A 253 1.870 3.633 -6.665 1.00 62.21 C ATOM 1229 CG1 VAL A 253 1.962 2.617 -7.830 1.00 14.41 C ATOM 1230 CG2 VAL A 253 0.743 3.277 -5.672 1.00 34.12 C ATOM 0 H VAL A 253 2.298 5.111 -4.657 1.00 32.52 H new ATOM 0 HA VAL A 253 3.512 2.767 -5.525 1.00 43.34 H new ATOM 0 HB VAL A 253 1.621 4.604 -7.094 1.00 62.21 H new ATOM 0 HG11 VAL A 253 0.996 2.550 -8.331 1.00 14.41 H new ATOM 0 HG12 VAL A 253 2.718 2.947 -8.542 1.00 14.41 H new ATOM 0 HG13 VAL A 253 2.236 1.638 -7.438 1.00 14.41 H new ATOM 0 HG21 VAL A 253 -0.204 3.205 -6.207 1.00 34.12 H new ATOM 0 HG22 VAL A 253 0.965 2.321 -5.197 1.00 34.12 H new ATOM 0 HG23 VAL A 253 0.671 4.053 -4.910 1.00 34.12 H new ATOM 1240 N ARG A 254 5.278 3.337 -7.197 1.00 51.05 N ATOM 1241 CA ARG A 254 6.303 3.521 -8.219 1.00 4.30 C ATOM 1242 C ARG A 254 6.130 2.382 -9.235 1.00 73.24 C ATOM 1243 O ARG A 254 6.286 1.202 -8.880 1.00 22.01 O ATOM 1244 CB ARG A 254 7.718 3.489 -7.571 1.00 41.03 C ATOM 1245 CG ARG A 254 7.911 4.401 -6.336 1.00 1.21 C ATOM 1246 CD ARG A 254 7.513 5.867 -6.575 1.00 1.34 C ATOM 1247 NE ARG A 254 8.220 6.450 -7.726 1.00 65.52 N ATOM 1248 CZ ARG A 254 7.941 7.630 -8.301 1.00 20.42 C ATOM 1249 NH1 ARG A 254 6.943 8.390 -7.867 1.00 42.51 N ATOM 1250 NH2 ARG A 254 8.669 8.046 -9.333 1.00 3.14 N ATOM 0 H ARG A 254 5.380 2.464 -6.680 1.00 51.05 H new ATOM 0 HA ARG A 254 6.201 4.487 -8.714 1.00 4.30 H new ATOM 0 HB2 ARG A 254 7.941 2.463 -7.280 1.00 41.03 H new ATOM 0 HB3 ARG A 254 8.450 3.772 -8.327 1.00 41.03 H new ATOM 0 HG2 ARG A 254 7.322 4.005 -5.509 1.00 1.21 H new ATOM 0 HG3 ARG A 254 8.956 4.364 -6.029 1.00 1.21 H new ATOM 0 HD2 ARG A 254 6.438 5.928 -6.741 1.00 1.34 H new ATOM 0 HD3 ARG A 254 7.731 6.452 -5.682 1.00 1.34 H new ATOM 0 HE ARG A 254 8.990 5.910 -8.122 1.00 65.52 H new ATOM 0 HH11 ARG A 254 6.371 8.081 -7.082 1.00 42.51 H new ATOM 0 HH12 ARG A 254 6.749 9.284 -8.319 1.00 42.51 H new ATOM 0 HH21 ARG A 254 9.434 7.469 -9.683 1.00 3.14 H new ATOM 0 HH22 ARG A 254 8.462 8.942 -9.775 1.00 3.14 H new ATOM 1264 N ILE A 255 5.737 2.738 -10.469 1.00 62.42 N ATOM 1265 CA ILE A 255 5.481 1.768 -11.548 1.00 51.15 C ATOM 1266 C ILE A 255 6.799 1.296 -12.186 1.00 13.34 C ATOM 1267 O ILE A 255 7.612 2.116 -12.627 1.00 23.42 O ATOM 1268 CB ILE A 255 4.539 2.372 -12.660 1.00 2.04 C ATOM 1269 CG1 ILE A 255 3.130 2.701 -12.071 1.00 15.11 C ATOM 1270 CG2 ILE A 255 4.425 1.435 -13.891 1.00 61.33 C ATOM 1271 CD1 ILE A 255 2.143 3.242 -13.086 1.00 4.12 C ATOM 0 H ILE A 255 5.587 3.708 -10.748 1.00 62.42 H new ATOM 0 HA ILE A 255 4.977 0.913 -11.097 1.00 51.15 H new ATOM 0 HB ILE A 255 4.992 3.301 -13.005 1.00 2.04 H new ATOM 0 HG12 ILE A 255 2.716 1.797 -11.624 1.00 15.11 H new ATOM 0 HG13 ILE A 255 3.245 3.430 -11.269 1.00 15.11 H new ATOM 0 HG21 ILE A 255 3.768 1.888 -14.633 1.00 61.33 H new ATOM 0 HG22 ILE A 255 5.413 1.284 -14.326 1.00 61.33 H new ATOM 0 HG23 ILE A 255 4.014 0.474 -13.580 1.00 61.33 H new ATOM 0 HD11 ILE A 255 1.191 3.444 -12.596 1.00 4.12 H new ATOM 0 HD12 ILE A 255 2.533 4.165 -13.516 1.00 4.12 H new ATOM 0 HD13 ILE A 255 1.995 2.507 -13.877 1.00 4.12 H new ATOM 1283 N THR A 256 6.974 -0.027 -12.249 1.00 64.13 N ATOM 1284 CA THR A 256 8.126 -0.687 -12.862 1.00 22.12 C ATOM 1285 C THR A 256 7.652 -1.384 -14.165 1.00 73.32 C ATOM 1286 O THR A 256 6.881 -2.364 -14.080 1.00 61.34 O ATOM 1287 CB THR A 256 8.775 -1.705 -11.846 1.00 13.13 C ATOM 1288 OG1 THR A 256 7.761 -2.544 -11.252 1.00 2.10 O ATOM 1289 CG2 THR A 256 9.536 -0.979 -10.719 1.00 21.31 C ATOM 1290 OXT THR A 256 8.014 -0.924 -15.267 1.00 37.68 O ATOM 0 H THR A 256 6.298 -0.686 -11.863 1.00 64.13 H new ATOM 0 HA THR A 256 8.897 0.040 -13.115 1.00 22.12 H new ATOM 0 HB THR A 256 9.480 -2.313 -12.413 1.00 13.13 H new ATOM 0 HG1 THR A 256 8.180 -3.170 -10.626 1.00 2.10 H new ATOM 0 HG21 THR A 256 9.968 -1.714 -10.040 1.00 21.31 H new ATOM 0 HG22 THR A 256 10.331 -0.371 -11.150 1.00 21.31 H new ATOM 0 HG23 THR A 256 8.847 -0.338 -10.169 1.00 21.31 H new