USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 712 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 85 CYS SG : rot 105:sc= 1.4 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -64:sc= 0.0925 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -19:sc= 0.471 USER MOD Single : A 47 THR OG1 : rot 2:sc= 0.958 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0862) USER MOD Single : A 56 SER OG : rot 180:sc= 0.721 USER MOD Single : A 62 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.16) USER MOD Single : A 63 LYS NZ :NH3+ 149:sc= -0.292 (180deg=-1.36!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -5.14! C(o=-5.1!,f=-5.9!) USER MOD Single : A 80 SER OG : rot -84:sc= 1.02 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N TRP A 13 11.616 -13.970 -4.287 1.00 0.00 N ATOM 131 CA TRP A 13 11.446 -12.620 -4.810 1.00 0.00 C ATOM 132 C TRP A 13 11.239 -11.619 -3.679 1.00 0.00 C ATOM 133 O TRP A 13 12.018 -10.678 -3.520 1.00 0.00 O ATOM 134 CB TRP A 13 10.260 -12.570 -5.775 1.00 0.00 C ATOM 135 CG TRP A 13 10.602 -13.027 -7.161 1.00 0.00 C ATOM 136 CD1 TRP A 13 9.997 -14.028 -7.866 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.631 -12.502 -8.007 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.588 -14.156 -9.100 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.592 -13.232 -9.212 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.580 -11.486 -7.866 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.466 -12.976 -10.265 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.447 -11.234 -8.912 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.385 -11.976 -10.099 1.00 0.00 C ATOM 0 HA TRP A 13 12.355 -12.349 -5.347 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.456 -13.192 -5.383 1.00 0.00 H new ATOM 0 HB3 TRP A 13 9.880 -11.549 -5.820 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.175 -14.630 -7.507 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.322 -14.831 -9.817 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.635 -10.908 -6.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.420 -13.547 -11.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.185 -10.452 -8.813 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.076 -11.754 -10.899 1.00 0.00 H new ATOM 154 N ILE A 14 10.187 -11.828 -2.895 1.00 0.00 N ATOM 155 CA ILE A 14 9.880 -10.944 -1.778 1.00 0.00 C ATOM 156 C ILE A 14 10.862 -11.148 -0.629 1.00 0.00 C ATOM 157 O ILE A 14 10.638 -11.975 0.254 1.00 0.00 O ATOM 158 CB ILE A 14 8.447 -11.169 -1.259 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.437 -10.997 -2.395 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.140 -10.210 -0.119 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.151 -11.764 -2.181 1.00 0.00 C ATOM 0 H ILE A 14 9.533 -12.602 -3.013 1.00 0.00 H new ATOM 0 HA ILE A 14 9.967 -9.923 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 14 8.369 -12.188 -0.881 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.205 -9.938 -2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.894 -11.323 -3.329 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.124 -10.381 0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.843 -10.377 0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.232 -9.183 -0.473 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.482 -11.596 -3.025 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.371 -12.828 -2.099 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.671 -11.422 -1.264 1.00 0.00 H new ATOM 173 N VAL A 15 11.952 -10.387 -0.648 1.00 0.00 N ATOM 174 CA VAL A 15 12.968 -10.482 0.394 1.00 0.00 C ATOM 175 C VAL A 15 12.461 -9.904 1.710 1.00 0.00 C ATOM 176 O VAL A 15 12.992 -10.209 2.779 1.00 0.00 O ATOM 177 CB VAL A 15 14.259 -9.746 -0.013 1.00 0.00 C ATOM 178 CG1 VAL A 15 14.022 -8.245 -0.074 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.387 -10.078 0.951 1.00 0.00 C ATOM 0 H VAL A 15 12.154 -9.698 -1.373 1.00 0.00 H new ATOM 0 HA VAL A 15 13.188 -11.541 0.526 1.00 0.00 H new ATOM 0 HB VAL A 15 14.551 -10.083 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.945 -7.742 -0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.246 -8.029 -0.808 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.705 -7.887 0.905 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.291 -9.550 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.107 -9.771 1.959 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.573 -11.152 0.938 1.00 0.00 H new ATOM 189 N TYR A 16 11.430 -9.071 1.627 1.00 0.00 N ATOM 190 CA TYR A 16 10.852 -8.449 2.812 1.00 0.00 C ATOM 191 C TYR A 16 9.556 -7.721 2.468 1.00 0.00 C ATOM 192 O TYR A 16 9.398 -7.158 1.384 1.00 0.00 O ATOM 193 CB TYR A 16 11.848 -7.471 3.438 1.00 0.00 C ATOM 194 CG TYR A 16 11.203 -6.451 4.349 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.352 -5.477 3.842 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.446 -6.461 5.717 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.762 -4.542 4.671 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.859 -5.531 6.554 1.00 0.00 C ATOM 199 CZ TYR A 16 10.018 -4.574 6.026 1.00 0.00 C ATOM 200 OH TYR A 16 9.432 -3.646 6.856 1.00 0.00 O ATOM 0 H TYR A 16 10.977 -8.811 0.751 1.00 0.00 H new ATOM 0 HA TYR A 16 10.626 -9.237 3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.590 -8.034 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.381 -6.950 2.643 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.148 -5.450 2.782 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.105 -7.208 6.133 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.104 -3.790 4.260 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.058 -5.554 7.615 1.00 0.00 H new ATOM 0 HH TYR A 16 9.715 -3.808 7.780 1.00 0.00 H new ATOM 210 N PRO A 17 8.604 -7.732 3.413 1.00 0.00 N ATOM 211 CA PRO A 17 8.780 -8.399 4.706 1.00 0.00 C ATOM 212 C PRO A 17 8.805 -9.918 4.576 1.00 0.00 C ATOM 213 O PRO A 17 8.437 -10.468 3.538 1.00 0.00 O ATOM 214 CB PRO A 17 7.554 -7.952 5.506 1.00 0.00 C ATOM 215 CG PRO A 17 6.527 -7.629 4.476 1.00 0.00 C ATOM 216 CD PRO A 17 7.282 -7.094 3.291 1.00 0.00 C ATOM 0 HA PRO A 17 9.730 -8.138 5.173 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.209 -8.740 6.175 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.780 -7.084 6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.954 -8.516 4.205 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.817 -6.892 4.851 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.794 -7.356 2.352 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.356 -6.007 3.319 1.00 0.00 H new ATOM 224 N SER A 18 9.242 -10.591 5.636 1.00 0.00 N ATOM 225 CA SER A 18 9.318 -12.048 5.638 1.00 0.00 C ATOM 226 C SER A 18 8.120 -12.653 6.362 1.00 0.00 C ATOM 227 O SER A 18 8.269 -13.316 7.388 1.00 0.00 O ATOM 228 CB SER A 18 10.617 -12.510 6.303 1.00 0.00 C ATOM 229 OG SER A 18 10.790 -13.910 6.164 1.00 0.00 O ATOM 0 H SER A 18 9.549 -10.151 6.504 1.00 0.00 H new ATOM 0 HA SER A 18 9.306 -12.390 4.603 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.464 -11.989 5.856 1.00 0.00 H new ATOM 0 HB3 SER A 18 10.602 -12.245 7.360 1.00 0.00 H new ATOM 0 HG SER A 18 10.076 -14.377 6.647 1.00 0.00 H new ATOM 235 N GLY A 19 6.929 -12.420 5.819 1.00 0.00 N ATOM 236 CA GLY A 19 5.721 -12.949 6.425 1.00 0.00 C ATOM 237 C GLY A 19 4.562 -11.974 6.353 1.00 0.00 C ATOM 238 O GLY A 19 4.482 -11.159 5.434 1.00 0.00 O ATOM 0 H GLY A 19 6.779 -11.874 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.443 -13.877 5.925 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.920 -13.196 7.468 1.00 0.00 H new ATOM 242 N LYS A 20 3.659 -12.059 7.324 1.00 0.00 N ATOM 243 CA LYS A 20 2.497 -11.178 7.368 1.00 0.00 C ATOM 244 C LYS A 20 2.818 -9.893 8.124 1.00 0.00 C ATOM 245 O LYS A 20 3.606 -9.896 9.069 1.00 0.00 O ATOM 246 CB LYS A 20 1.316 -11.891 8.031 1.00 0.00 C ATOM 247 CG LYS A 20 0.622 -12.891 7.122 1.00 0.00 C ATOM 248 CD LYS A 20 -0.847 -13.044 7.480 1.00 0.00 C ATOM 249 CE LYS A 20 -1.055 -14.126 8.528 1.00 0.00 C ATOM 250 NZ LYS A 20 -2.446 -14.122 9.060 1.00 0.00 N ATOM 0 H LYS A 20 3.709 -12.729 8.091 1.00 0.00 H new ATOM 0 HA LYS A 20 2.229 -10.919 6.344 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.669 -12.408 8.924 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.591 -11.147 8.359 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.713 -12.566 6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.119 -13.858 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.232 -12.095 7.854 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.417 -13.289 6.584 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.836 -15.101 8.092 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.352 -13.978 9.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.548 -14.874 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.647 -13.201 9.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.116 -14.289 8.282 1.00 0.00 H new ATOM 264 N VAL A 21 2.199 -8.794 7.702 1.00 0.00 N ATOM 265 CA VAL A 21 2.417 -7.501 8.341 1.00 0.00 C ATOM 266 C VAL A 21 1.097 -6.774 8.573 1.00 0.00 C ATOM 267 O VAL A 21 0.238 -6.730 7.692 1.00 0.00 O ATOM 268 CB VAL A 21 3.342 -6.606 7.496 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.494 -5.236 8.140 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.698 -7.270 7.308 1.00 0.00 C ATOM 0 H VAL A 21 1.543 -8.773 6.921 1.00 0.00 H new ATOM 0 HA VAL A 21 2.894 -7.698 9.301 1.00 0.00 H new ATOM 0 HB VAL A 21 2.890 -6.470 6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.151 -4.617 7.529 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.516 -4.760 8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.923 -5.348 9.136 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.339 -6.624 6.709 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.159 -7.437 8.281 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.568 -8.225 6.799 1.00 0.00 H new ATOM 280 N TYR A 22 0.943 -6.205 9.763 1.00 0.00 N ATOM 281 CA TYR A 22 -0.273 -5.480 10.111 1.00 0.00 C ATOM 282 C TYR A 22 -0.032 -3.974 10.102 1.00 0.00 C ATOM 283 O TYR A 22 1.015 -3.498 10.542 1.00 0.00 O ATOM 284 CB TYR A 22 -0.776 -5.918 11.488 1.00 0.00 C ATOM 285 CG TYR A 22 -1.578 -7.200 11.460 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.086 -8.337 10.832 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.828 -7.273 12.062 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.816 -9.510 10.804 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.565 -8.442 12.040 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.054 -9.557 11.409 1.00 0.00 C ATOM 291 OH TYR A 22 -3.784 -10.723 11.384 1.00 0.00 O ATOM 0 H TYR A 22 1.645 -6.232 10.503 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.031 -5.713 9.363 1.00 0.00 H new ATOM 0 HB2 TYR A 22 0.078 -6.048 12.153 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.391 -5.124 11.910 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.116 -8.304 10.357 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.231 -6.401 12.556 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.419 -10.385 10.311 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.535 -8.482 12.514 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.632 -10.588 11.856 1.00 0.00 H new ATOM 301 N VAL A 23 -1.009 -3.228 9.597 1.00 0.00 N ATOM 302 CA VAL A 23 -0.906 -1.775 9.530 1.00 0.00 C ATOM 303 C VAL A 23 -2.252 -1.115 9.806 1.00 0.00 C ATOM 304 O VAL A 23 -3.264 -1.471 9.204 1.00 0.00 O ATOM 305 CB VAL A 23 -0.391 -1.311 8.155 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.214 0.200 8.132 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.914 -2.014 7.810 1.00 0.00 C ATOM 0 H VAL A 23 -1.882 -3.606 9.228 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.193 -1.473 10.297 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.132 -1.577 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.151 0.509 7.152 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.171 0.682 8.331 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.506 0.494 8.896 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.264 -1.674 6.835 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.664 -1.781 8.566 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.750 -3.091 7.782 1.00 0.00 H new ATOM 317 N ALA A 24 -2.256 -0.149 10.719 1.00 0.00 N ATOM 318 CA ALA A 24 -3.477 0.563 11.072 1.00 0.00 C ATOM 319 C ALA A 24 -3.471 1.979 10.506 1.00 0.00 C ATOM 320 O ALA A 24 -2.536 2.745 10.736 1.00 0.00 O ATOM 321 CB ALA A 24 -3.649 0.598 12.584 1.00 0.00 C ATOM 0 H ALA A 24 -1.427 0.158 11.227 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.319 0.028 10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.565 1.133 12.834 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.708 -0.421 12.967 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.797 1.107 13.035 1.00 0.00 H new ATOM 327 N ALA A 25 -4.519 2.319 9.763 1.00 0.00 N ATOM 328 CA ALA A 25 -4.634 3.643 9.165 1.00 0.00 C ATOM 329 C ALA A 25 -5.957 4.303 9.542 1.00 0.00 C ATOM 330 O ALA A 25 -6.791 3.702 10.219 1.00 0.00 O ATOM 331 CB ALA A 25 -4.500 3.552 7.652 1.00 0.00 C ATOM 0 H ALA A 25 -5.301 1.696 9.561 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.825 4.262 9.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.588 4.548 7.218 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.528 3.130 7.398 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.288 2.913 7.255 1.00 0.00 H new ATOM 337 N VAL A 26 -6.141 5.543 9.100 1.00 0.00 N ATOM 338 CA VAL A 26 -7.362 6.284 9.391 1.00 0.00 C ATOM 339 C VAL A 26 -7.918 6.943 8.133 1.00 0.00 C ATOM 340 O VAL A 26 -7.179 7.224 7.189 1.00 0.00 O ATOM 341 CB VAL A 26 -7.121 7.366 10.460 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.407 7.669 11.213 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.022 6.933 11.418 1.00 0.00 C ATOM 0 H VAL A 26 -5.460 6.055 8.539 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.086 5.563 9.771 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.797 8.279 9.961 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.217 8.436 11.964 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.163 8.026 10.513 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.764 6.763 11.702 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.865 7.710 12.167 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.314 6.006 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.098 6.772 10.863 1.00 0.00 H new ATOM 353 N ARG A 27 -9.225 7.186 8.127 1.00 0.00 N ATOM 354 CA ARG A 27 -9.880 7.811 6.985 1.00 0.00 C ATOM 355 C ARG A 27 -9.053 8.979 6.456 1.00 0.00 C ATOM 356 O ARG A 27 -8.816 9.958 7.166 1.00 0.00 O ATOM 357 CB ARG A 27 -11.278 8.296 7.375 1.00 0.00 C ATOM 358 CG ARG A 27 -12.035 8.952 6.232 1.00 0.00 C ATOM 359 CD ARG A 27 -13.534 8.727 6.355 1.00 0.00 C ATOM 360 NE ARG A 27 -14.302 9.834 5.792 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.602 10.938 6.466 1.00 0.00 C ATOM 362 NH1 ARG A 27 -14.201 11.082 7.722 1.00 0.00 N ATOM 363 NH2 ARG A 27 -15.305 11.902 5.885 1.00 0.00 N ATOM 0 H ARG A 27 -9.850 6.959 8.900 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.969 7.065 6.195 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.857 7.450 7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.191 9.006 8.197 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -11.826 10.022 6.222 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.682 8.550 5.282 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -13.805 7.802 5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.797 8.601 7.405 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.626 9.755 4.828 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.661 10.344 8.173 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.433 11.931 8.237 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.616 11.795 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.535 12.749 6.404 1.00 0.00 H new ATOM 377 N LEU A 28 -8.617 8.870 5.206 1.00 0.00 N ATOM 378 CA LEU A 28 -7.816 9.917 4.581 1.00 0.00 C ATOM 379 C LEU A 28 -6.473 10.070 5.288 1.00 0.00 C ATOM 380 O LEU A 28 -5.983 11.183 5.476 1.00 0.00 O ATOM 381 CB LEU A 28 -8.571 11.247 4.604 1.00 0.00 C ATOM 382 CG LEU A 28 -10.020 11.204 4.117 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.711 12.533 4.380 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.076 10.855 2.637 1.00 0.00 C ATOM 0 H LEU A 28 -8.805 8.067 4.605 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.631 9.629 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.563 11.629 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.024 11.963 3.991 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.547 10.428 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.741 12.484 4.027 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.704 12.741 5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.184 13.328 3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.115 10.829 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.533 11.607 2.065 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.620 9.878 2.476 1.00 0.00 H new ATOM 396 N GLU A 29 -5.882 8.944 5.677 1.00 0.00 N ATOM 397 CA GLU A 29 -4.595 8.954 6.362 1.00 0.00 C ATOM 398 C GLU A 29 -3.458 8.660 5.387 1.00 0.00 C ATOM 399 O GLU A 29 -3.676 8.099 4.313 1.00 0.00 O ATOM 400 CB GLU A 29 -4.588 7.928 7.496 1.00 0.00 C ATOM 401 CG GLU A 29 -3.270 7.863 8.250 1.00 0.00 C ATOM 402 CD GLU A 29 -2.964 9.144 9.001 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.742 9.499 9.911 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.945 9.790 8.680 1.00 0.00 O ATOM 0 H GLU A 29 -6.274 8.014 5.529 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.443 9.948 6.781 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.387 8.169 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.811 6.943 7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.299 7.032 8.954 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.463 7.657 7.547 1.00 0.00 H new ATOM 411 N ARG A 30 -2.244 9.042 5.771 1.00 0.00 N ATOM 412 CA ARG A 30 -1.073 8.821 4.931 1.00 0.00 C ATOM 413 C ARG A 30 -0.279 7.612 5.414 1.00 0.00 C ATOM 414 O ARG A 30 0.431 7.682 6.418 1.00 0.00 O ATOM 415 CB ARG A 30 -0.180 10.063 4.928 1.00 0.00 C ATOM 416 CG ARG A 30 1.008 9.957 3.986 1.00 0.00 C ATOM 417 CD ARG A 30 2.216 9.347 4.680 1.00 0.00 C ATOM 418 NE ARG A 30 3.409 9.387 3.838 1.00 0.00 N ATOM 419 CZ ARG A 30 4.202 10.447 3.737 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.932 11.549 4.422 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.270 10.406 2.950 1.00 0.00 N ATOM 0 H ARG A 30 -2.046 9.506 6.658 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.417 8.626 3.915 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.779 10.930 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.184 10.241 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.737 9.348 3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.265 10.947 3.609 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.410 9.884 5.609 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.996 8.314 4.949 1.00 0.00 H new ATOM 0 HE ARG A 30 3.646 8.555 3.298 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.113 11.584 5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.543 12.362 4.342 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.482 9.560 2.422 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.878 11.221 2.873 1.00 0.00 H new ATOM 435 N VAL A 31 -0.404 6.502 4.693 1.00 0.00 N ATOM 436 CA VAL A 31 0.303 5.276 5.047 1.00 0.00 C ATOM 437 C VAL A 31 1.510 5.057 4.143 1.00 0.00 C ATOM 438 O VAL A 31 1.612 5.651 3.069 1.00 0.00 O ATOM 439 CB VAL A 31 -0.623 4.049 4.956 1.00 0.00 C ATOM 440 CG1 VAL A 31 -1.808 4.202 5.897 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.091 3.841 3.524 1.00 0.00 C ATOM 0 H VAL A 31 -0.988 6.426 3.860 1.00 0.00 H new ATOM 0 HA VAL A 31 0.641 5.391 6.077 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.060 3.167 5.262 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.451 3.325 5.818 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.449 4.298 6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.375 5.093 5.626 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.744 2.970 3.478 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.637 4.722 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.227 3.681 2.878 1.00 0.00 H new ATOM 451 N VAL A 32 2.425 4.200 4.584 1.00 0.00 N ATOM 452 CA VAL A 32 3.626 3.900 3.814 1.00 0.00 C ATOM 453 C VAL A 32 4.004 2.428 3.934 1.00 0.00 C ATOM 454 O VAL A 32 4.492 1.984 4.974 1.00 0.00 O ATOM 455 CB VAL A 32 4.817 4.763 4.272 1.00 0.00 C ATOM 456 CG1 VAL A 32 6.084 4.362 3.532 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.515 6.239 4.068 1.00 0.00 C ATOM 0 H VAL A 32 2.357 3.701 5.471 1.00 0.00 H new ATOM 0 HA VAL A 32 3.399 4.130 2.773 1.00 0.00 H new ATOM 0 HB VAL A 32 4.978 4.593 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.914 4.983 3.869 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.308 3.315 3.735 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.939 4.501 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.367 6.834 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.326 6.429 3.011 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.635 6.514 4.649 1.00 0.00 H new ATOM 467 N LEU A 33 3.775 1.675 2.864 1.00 0.00 N ATOM 468 CA LEU A 33 4.091 0.251 2.849 1.00 0.00 C ATOM 469 C LEU A 33 5.544 0.020 2.446 1.00 0.00 C ATOM 470 O LEU A 33 6.089 0.737 1.606 1.00 0.00 O ATOM 471 CB LEU A 33 3.160 -0.488 1.886 1.00 0.00 C ATOM 472 CG LEU A 33 1.884 -1.068 2.498 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.213 -0.045 3.401 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.929 -1.527 1.406 1.00 0.00 C ATOM 0 H LEU A 33 3.372 2.027 1.996 1.00 0.00 H new ATOM 0 HA LEU A 33 3.946 -0.139 3.857 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.877 0.198 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.719 -1.301 1.424 1.00 0.00 H new ATOM 0 HG LEU A 33 2.155 -1.934 3.103 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.307 -0.475 3.828 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.895 0.234 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.955 0.840 2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.027 -1.937 1.860 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.664 -0.679 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.411 -2.294 0.800 1.00 0.00 H new ATOM 486 N THR A 34 6.168 -0.987 3.050 1.00 0.00 N ATOM 487 CA THR A 34 7.557 -1.314 2.754 1.00 0.00 C ATOM 488 C THR A 34 7.677 -2.706 2.146 1.00 0.00 C ATOM 489 O THR A 34 7.246 -3.694 2.743 1.00 0.00 O ATOM 490 CB THR A 34 8.432 -1.241 4.020 1.00 0.00 C ATOM 491 OG1 THR A 34 8.196 -0.009 4.710 1.00 0.00 O ATOM 492 CG2 THR A 34 9.907 -1.354 3.664 1.00 0.00 C ATOM 0 H THR A 34 5.733 -1.590 3.748 1.00 0.00 H new ATOM 0 HA THR A 34 7.910 -0.576 2.034 1.00 0.00 H new ATOM 0 HB THR A 34 8.165 -2.076 4.668 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.755 0.028 5.514 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.506 -1.300 4.573 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.089 -2.306 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.184 -0.537 2.998 1.00 0.00 H new ATOM 500 N CYS A 35 8.265 -2.778 0.957 1.00 0.00 N ATOM 501 CA CYS A 35 8.441 -4.052 0.268 1.00 0.00 C ATOM 502 C CYS A 35 9.781 -4.094 -0.460 1.00 0.00 C ATOM 503 O CYS A 35 9.956 -3.452 -1.495 1.00 0.00 O ATOM 504 CB CYS A 35 7.300 -4.280 -0.725 1.00 0.00 C ATOM 505 SG CYS A 35 7.011 -6.019 -1.128 1.00 0.00 S ATOM 0 H CYS A 35 8.628 -1.970 0.450 1.00 0.00 H new ATOM 0 HA CYS A 35 8.428 -4.847 1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.384 -3.856 -0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.518 -3.736 -1.644 1.00 0.00 H new ATOM 0 HG CYS A 35 6.027 -6.111 -1.972 1.00 0.00 H new ATOM 511 N GLU A 36 10.724 -4.854 0.089 1.00 0.00 N ATOM 512 CA GLU A 36 12.048 -4.977 -0.507 1.00 0.00 C ATOM 513 C GLU A 36 12.135 -6.222 -1.387 1.00 0.00 C ATOM 514 O GLU A 36 11.427 -7.204 -1.163 1.00 0.00 O ATOM 515 CB GLU A 36 13.120 -5.035 0.584 1.00 0.00 C ATOM 516 CG GLU A 36 14.526 -4.776 0.070 1.00 0.00 C ATOM 517 CD GLU A 36 15.442 -4.210 1.137 1.00 0.00 C ATOM 518 OE1 GLU A 36 15.170 -3.091 1.622 1.00 0.00 O ATOM 519 OE2 GLU A 36 16.432 -4.886 1.488 1.00 0.00 O ATOM 0 H GLU A 36 10.595 -5.393 0.945 1.00 0.00 H new ATOM 0 HA GLU A 36 12.221 -4.099 -1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.883 -4.301 1.354 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.091 -6.016 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.948 -5.707 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.480 -4.082 -0.769 1.00 0.00 H new ATOM 526 N LEU A 37 13.007 -6.172 -2.387 1.00 0.00 N ATOM 527 CA LEU A 37 13.188 -7.294 -3.302 1.00 0.00 C ATOM 528 C LEU A 37 14.650 -7.724 -3.354 1.00 0.00 C ATOM 529 O LEU A 37 15.550 -6.936 -3.061 1.00 0.00 O ATOM 530 CB LEU A 37 12.704 -6.917 -4.703 1.00 0.00 C ATOM 531 CG LEU A 37 11.341 -6.229 -4.781 1.00 0.00 C ATOM 532 CD1 LEU A 37 11.014 -5.853 -6.218 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.257 -7.127 -4.203 1.00 0.00 C ATOM 0 H LEU A 37 13.600 -5.366 -2.585 1.00 0.00 H new ATOM 0 HA LEU A 37 12.596 -8.132 -2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.446 -6.261 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.666 -7.823 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 37 11.382 -5.315 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.040 -5.364 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.776 -5.172 -6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.991 -6.752 -6.833 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.293 -6.621 -4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.216 -8.058 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.484 -7.346 -3.160 1.00 0.00 H new ATOM 545 N CYS A 38 14.879 -8.977 -3.732 1.00 0.00 N ATOM 546 CA CYS A 38 16.233 -9.512 -3.824 1.00 0.00 C ATOM 547 C CYS A 38 16.980 -8.900 -5.005 1.00 0.00 C ATOM 548 O CYS A 38 18.208 -8.954 -5.071 1.00 0.00 O ATOM 549 CB CYS A 38 16.194 -11.034 -3.964 1.00 0.00 C ATOM 550 SG CYS A 38 17.804 -11.787 -4.297 1.00 0.00 S ATOM 0 H CYS A 38 14.145 -9.641 -3.980 1.00 0.00 H new ATOM 0 HA CYS A 38 16.763 -9.252 -2.908 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.787 -11.462 -3.048 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.509 -11.296 -4.770 1.00 0.00 H new ATOM 0 HG CYS A 38 18.624 -10.880 -4.740 1.00 0.00 H new ATOM 556 N ARG A 39 16.230 -8.319 -5.936 1.00 0.00 N ATOM 557 CA ARG A 39 16.821 -7.699 -7.116 1.00 0.00 C ATOM 558 C ARG A 39 16.263 -6.295 -7.329 1.00 0.00 C ATOM 559 O ARG A 39 15.091 -6.019 -7.070 1.00 0.00 O ATOM 560 CB ARG A 39 16.559 -8.557 -8.355 1.00 0.00 C ATOM 561 CG ARG A 39 17.209 -9.929 -8.294 1.00 0.00 C ATOM 562 CD ARG A 39 18.711 -9.825 -8.074 1.00 0.00 C ATOM 563 NE ARG A 39 19.358 -9.010 -9.099 1.00 0.00 N ATOM 564 CZ ARG A 39 20.674 -8.851 -9.188 1.00 0.00 C ATOM 565 NH1 ARG A 39 21.478 -9.447 -8.318 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.188 -8.094 -10.149 1.00 0.00 N ATOM 0 H ARG A 39 15.212 -8.265 -5.896 1.00 0.00 H new ATOM 0 HA ARG A 39 17.897 -7.624 -6.956 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.483 -8.679 -8.481 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.925 -8.030 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.761 -10.509 -7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 39 17.012 -10.468 -9.221 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.905 -9.394 -7.092 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.148 -10.824 -8.075 1.00 0.00 H new ATOM 0 HE ARG A 39 18.768 -8.537 -9.783 1.00 0.00 H new ATOM 0 HH11 ARG A 39 21.086 -10.029 -7.578 1.00 0.00 H new ATOM 0 HH12 ARG A 39 22.488 -9.323 -8.389 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.573 -7.634 -10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.198 -7.972 -10.217 1.00 0.00 H new ATOM 580 N PRO A 40 17.121 -5.384 -7.812 1.00 0.00 N ATOM 581 CA PRO A 40 16.737 -3.993 -8.071 1.00 0.00 C ATOM 582 C PRO A 40 15.783 -3.866 -9.254 1.00 0.00 C ATOM 583 O PRO A 40 14.747 -3.209 -9.160 1.00 0.00 O ATOM 584 CB PRO A 40 18.070 -3.309 -8.383 1.00 0.00 C ATOM 585 CG PRO A 40 18.948 -4.402 -8.886 1.00 0.00 C ATOM 586 CD PRO A 40 18.533 -5.642 -8.144 1.00 0.00 C ATOM 0 HA PRO A 40 16.204 -3.553 -7.228 1.00 0.00 H new ATOM 0 HB2 PRO A 40 17.947 -2.525 -9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.492 -2.840 -7.494 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.830 -4.533 -9.962 1.00 0.00 H new ATOM 0 HG3 PRO A 40 19.998 -4.173 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.645 -6.535 -8.759 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.135 -5.795 -7.248 1.00 0.00 H new ATOM 594 N TRP A 41 16.139 -4.499 -10.366 1.00 0.00 N ATOM 595 CA TRP A 41 15.314 -4.456 -11.568 1.00 0.00 C ATOM 596 C TRP A 41 14.193 -5.488 -11.495 1.00 0.00 C ATOM 597 O TRP A 41 13.839 -6.105 -12.499 1.00 0.00 O ATOM 598 CB TRP A 41 16.172 -4.704 -12.810 1.00 0.00 C ATOM 599 CG TRP A 41 17.345 -5.600 -12.552 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.642 -5.218 -12.361 1.00 0.00 C ATOM 601 CD2 TRP A 41 17.328 -7.029 -12.460 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.432 -6.323 -12.156 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.650 -7.446 -12.211 1.00 0.00 C ATOM 604 CE3 TRP A 41 16.324 -7.996 -12.562 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.991 -8.788 -12.064 1.00 0.00 C ATOM 606 CZ3 TRP A 41 16.665 -9.327 -12.416 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.989 -9.713 -12.169 1.00 0.00 C ATOM 0 H TRP A 41 16.993 -5.048 -10.460 1.00 0.00 H new ATOM 0 HA TRP A 41 14.867 -3.464 -11.637 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.551 -5.146 -13.589 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.531 -3.748 -13.192 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.995 -4.197 -12.370 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.438 -6.309 -11.990 1.00 0.00 H new ATOM 0 HE3 TRP A 41 15.300 -7.708 -12.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 20.011 -9.088 -11.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.898 -10.083 -12.494 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.223 -10.762 -12.059 1.00 0.00 H new ATOM 618 N ALA A 42 13.639 -5.670 -10.301 1.00 0.00 N ATOM 619 CA ALA A 42 12.557 -6.626 -10.099 1.00 0.00 C ATOM 620 C ALA A 42 11.198 -5.937 -10.162 1.00 0.00 C ATOM 621 O ALA A 42 10.862 -5.127 -9.299 1.00 0.00 O ATOM 622 CB ALA A 42 12.727 -7.341 -8.767 1.00 0.00 C ATOM 0 H ALA A 42 13.921 -5.168 -9.459 1.00 0.00 H new ATOM 0 HA ALA A 42 12.600 -7.362 -10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.912 -8.052 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.678 -7.873 -8.759 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.712 -6.611 -7.958 1.00 0.00 H new ATOM 628 N GLU A 43 10.421 -6.265 -11.190 1.00 0.00 N ATOM 629 CA GLU A 43 9.099 -5.676 -11.366 1.00 0.00 C ATOM 630 C GLU A 43 8.069 -6.378 -10.486 1.00 0.00 C ATOM 631 O GLU A 43 8.031 -7.607 -10.415 1.00 0.00 O ATOM 632 CB GLU A 43 8.671 -5.755 -12.833 1.00 0.00 C ATOM 633 CG GLU A 43 8.539 -7.177 -13.352 1.00 0.00 C ATOM 634 CD GLU A 43 8.669 -7.262 -14.860 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.805 -6.699 -15.564 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.637 -7.893 -15.337 1.00 0.00 O ATOM 0 H GLU A 43 10.684 -6.935 -11.913 1.00 0.00 H new ATOM 0 HA GLU A 43 9.154 -4.629 -11.067 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.716 -5.243 -12.952 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.398 -5.220 -13.444 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.304 -7.801 -12.889 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.573 -7.581 -13.051 1.00 0.00 H new ATOM 643 N VAL A 44 7.235 -5.589 -9.815 1.00 0.00 N ATOM 644 CA VAL A 44 6.205 -6.134 -8.940 1.00 0.00 C ATOM 645 C VAL A 44 4.841 -5.529 -9.253 1.00 0.00 C ATOM 646 O VAL A 44 4.731 -4.606 -10.061 1.00 0.00 O ATOM 647 CB VAL A 44 6.537 -5.882 -7.457 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.922 -6.414 -7.122 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.433 -4.399 -7.133 1.00 0.00 C ATOM 0 H VAL A 44 7.253 -4.570 -9.861 1.00 0.00 H new ATOM 0 HA VAL A 44 6.173 -7.208 -9.120 1.00 0.00 H new ATOM 0 HB VAL A 44 5.811 -6.416 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.139 -6.227 -6.070 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.956 -7.486 -7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.665 -5.910 -7.741 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.671 -4.239 -6.081 1.00 0.00 H new ATOM 0 HG22 VAL A 44 7.135 -3.841 -7.753 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.419 -4.053 -7.332 1.00 0.00 H new ATOM 659 N ARG A 45 3.804 -6.055 -8.609 1.00 0.00 N ATOM 660 CA ARG A 45 2.447 -5.567 -8.820 1.00 0.00 C ATOM 661 C ARG A 45 1.592 -5.780 -7.574 1.00 0.00 C ATOM 662 O ARG A 45 1.582 -6.867 -6.995 1.00 0.00 O ATOM 663 CB ARG A 45 1.808 -6.275 -10.017 1.00 0.00 C ATOM 664 CG ARG A 45 0.300 -6.102 -10.092 1.00 0.00 C ATOM 665 CD ARG A 45 -0.298 -6.918 -11.228 1.00 0.00 C ATOM 666 NE ARG A 45 -1.636 -7.406 -10.905 1.00 0.00 N ATOM 667 CZ ARG A 45 -2.236 -8.394 -11.560 1.00 0.00 C ATOM 668 NH1 ARG A 45 -1.619 -8.996 -12.568 1.00 0.00 N ATOM 669 NH2 ARG A 45 -3.454 -8.783 -11.207 1.00 0.00 N ATOM 0 H ARG A 45 3.878 -6.819 -7.937 1.00 0.00 H new ATOM 0 HA ARG A 45 2.500 -4.498 -9.024 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.255 -5.894 -10.935 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.041 -7.339 -9.966 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.150 -6.407 -9.147 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.060 -5.048 -10.234 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -0.343 -6.307 -12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.353 -7.764 -11.449 1.00 0.00 H new ATOM 0 HE ARG A 45 -2.137 -6.964 -10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.682 -8.701 -12.842 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.082 -9.754 -13.069 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.931 -8.323 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.913 -9.542 -11.711 1.00 0.00 H new ATOM 683 N TRP A 46 0.879 -4.737 -7.167 1.00 0.00 N ATOM 684 CA TRP A 46 0.022 -4.810 -5.989 1.00 0.00 C ATOM 685 C TRP A 46 -1.405 -5.183 -6.376 1.00 0.00 C ATOM 686 O TRP A 46 -1.986 -4.594 -7.289 1.00 0.00 O ATOM 687 CB TRP A 46 0.029 -3.475 -5.244 1.00 0.00 C ATOM 688 CG TRP A 46 1.393 -3.062 -4.778 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.384 -2.507 -5.536 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.915 -3.172 -3.450 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.492 -2.267 -4.759 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.229 -2.665 -3.475 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.400 -3.648 -2.241 1.00 0.00 C ATOM 694 CZ2 TRP A 46 4.032 -2.622 -2.338 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.199 -3.606 -1.114 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.502 -3.095 -1.169 1.00 0.00 C ATOM 0 H TRP A 46 0.877 -3.831 -7.635 1.00 0.00 H new ATOM 0 HA TRP A 46 0.415 -5.586 -5.332 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.374 -2.701 -5.897 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.636 -3.544 -4.383 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.308 -2.289 -6.591 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.368 -1.859 -5.085 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.396 -4.042 -2.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.037 -2.229 -2.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.812 -3.973 -0.175 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.100 -3.074 -0.270 1.00 0.00 H new ATOM 707 N THR A 47 -1.967 -6.164 -5.676 1.00 0.00 N ATOM 708 CA THR A 47 -3.326 -6.615 -5.948 1.00 0.00 C ATOM 709 C THR A 47 -4.206 -6.483 -4.710 1.00 0.00 C ATOM 710 O THR A 47 -3.803 -6.852 -3.607 1.00 0.00 O ATOM 711 CB THR A 47 -3.347 -8.079 -6.425 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.561 -8.892 -5.547 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.811 -8.193 -7.845 1.00 0.00 C ATOM 0 H THR A 47 -1.502 -6.661 -4.917 1.00 0.00 H new ATOM 0 HA THR A 47 -3.719 -5.977 -6.740 1.00 0.00 H new ATOM 0 HB THR A 47 -4.380 -8.427 -6.414 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.207 -8.340 -4.819 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.835 -9.236 -8.160 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.429 -7.596 -8.516 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.784 -7.828 -7.877 1.00 0.00 H new ATOM 721 N LYS A 48 -5.411 -5.956 -4.900 1.00 0.00 N ATOM 722 CA LYS A 48 -6.351 -5.778 -3.800 1.00 0.00 C ATOM 723 C LYS A 48 -7.559 -6.694 -3.962 1.00 0.00 C ATOM 724 O LYS A 48 -8.515 -6.359 -4.662 1.00 0.00 O ATOM 725 CB LYS A 48 -6.810 -4.319 -3.726 1.00 0.00 C ATOM 726 CG LYS A 48 -7.349 -3.920 -2.364 1.00 0.00 C ATOM 727 CD LYS A 48 -7.833 -2.480 -2.356 1.00 0.00 C ATOM 728 CE LYS A 48 -8.908 -2.258 -1.303 1.00 0.00 C ATOM 729 NZ LYS A 48 -10.212 -2.852 -1.709 1.00 0.00 N ATOM 0 H LYS A 48 -5.760 -5.644 -5.807 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.841 -6.040 -2.873 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.972 -3.670 -3.980 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.582 -4.151 -4.477 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.170 -4.582 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.570 -4.047 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.992 -1.814 -2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.227 -2.222 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.587 -2.697 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.033 -1.189 -1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.967 -2.485 -1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.416 -2.600 -2.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.165 -3.887 -1.619 1.00 0.00 H new ATOM 743 N ASP A 49 -7.510 -7.851 -3.310 1.00 0.00 N ATOM 744 CA ASP A 49 -8.602 -8.815 -3.380 1.00 0.00 C ATOM 745 C ASP A 49 -8.603 -9.538 -4.723 1.00 0.00 C ATOM 746 O ASP A 49 -9.653 -9.942 -5.221 1.00 0.00 O ATOM 747 CB ASP A 49 -9.944 -8.114 -3.163 1.00 0.00 C ATOM 748 CG ASP A 49 -11.048 -9.083 -2.787 1.00 0.00 C ATOM 749 OD1 ASP A 49 -11.076 -9.526 -1.621 1.00 0.00 O ATOM 750 OD2 ASP A 49 -11.884 -9.398 -3.661 1.00 0.00 O ATOM 0 H ASP A 49 -6.726 -8.144 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.454 -9.552 -2.591 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.837 -7.366 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.225 -7.583 -4.072 1.00 0.00 H new ATOM 755 N GLY A 50 -7.418 -9.697 -5.305 1.00 0.00 N ATOM 756 CA GLY A 50 -7.305 -10.371 -6.586 1.00 0.00 C ATOM 757 C GLY A 50 -7.132 -9.401 -7.738 1.00 0.00 C ATOM 758 O GLY A 50 -6.445 -9.703 -8.713 1.00 0.00 O ATOM 0 H GLY A 50 -6.535 -9.371 -4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.456 -11.054 -6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.196 -10.976 -6.755 1.00 0.00 H new ATOM 762 N GLU A 51 -7.757 -8.233 -7.625 1.00 0.00 N ATOM 763 CA GLU A 51 -7.670 -7.217 -8.667 1.00 0.00 C ATOM 764 C GLU A 51 -6.354 -6.450 -8.571 1.00 0.00 C ATOM 765 O GLU A 51 -5.779 -6.318 -7.492 1.00 0.00 O ATOM 766 CB GLU A 51 -8.847 -6.245 -8.563 1.00 0.00 C ATOM 767 CG GLU A 51 -8.607 -5.099 -7.595 1.00 0.00 C ATOM 768 CD GLU A 51 -9.853 -4.271 -7.351 1.00 0.00 C ATOM 769 OE1 GLU A 51 -10.266 -3.535 -8.271 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.416 -4.359 -6.239 1.00 0.00 O ATOM 0 H GLU A 51 -8.329 -7.967 -6.823 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.708 -7.721 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.058 -5.836 -9.551 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.734 -6.795 -8.249 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.249 -5.499 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.819 -4.456 -7.987 1.00 0.00 H new ATOM 777 N GLU A 52 -5.884 -5.948 -9.709 1.00 0.00 N ATOM 778 CA GLU A 52 -4.635 -5.196 -9.753 1.00 0.00 C ATOM 779 C GLU A 52 -4.893 -3.702 -9.579 1.00 0.00 C ATOM 780 O GLU A 52 -5.479 -3.056 -10.448 1.00 0.00 O ATOM 781 CB GLU A 52 -3.908 -5.448 -11.076 1.00 0.00 C ATOM 782 CG GLU A 52 -2.628 -4.645 -11.229 1.00 0.00 C ATOM 783 CD GLU A 52 -2.072 -4.697 -12.639 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.802 -5.143 -13.549 1.00 0.00 O ATOM 785 OE2 GLU A 52 -0.907 -4.291 -12.832 1.00 0.00 O ATOM 0 H GLU A 52 -6.349 -6.048 -10.612 1.00 0.00 H new ATOM 0 HA GLU A 52 -4.006 -5.537 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.673 -6.509 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.579 -5.208 -11.901 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.820 -3.607 -10.956 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.880 -5.025 -10.533 1.00 0.00 H new ATOM 792 N VAL A 53 -4.452 -3.159 -8.448 1.00 0.00 N ATOM 793 CA VAL A 53 -4.634 -1.742 -8.159 1.00 0.00 C ATOM 794 C VAL A 53 -4.114 -0.877 -9.301 1.00 0.00 C ATOM 795 O VAL A 53 -3.084 -1.178 -9.904 1.00 0.00 O ATOM 796 CB VAL A 53 -3.917 -1.339 -6.857 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.600 -1.970 -5.653 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.449 -1.731 -6.914 1.00 0.00 C ATOM 0 H VAL A 53 -3.966 -3.679 -7.717 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.705 -1.578 -8.042 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.976 -0.256 -6.751 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.079 -1.674 -4.743 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.636 -1.634 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.575 -3.056 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.958 -1.439 -5.986 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.365 -2.810 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.970 -1.226 -7.753 1.00 0.00 H new ATOM 808 N VAL A 54 -4.834 0.202 -9.594 1.00 0.00 N ATOM 809 CA VAL A 54 -4.445 1.113 -10.664 1.00 0.00 C ATOM 810 C VAL A 54 -4.141 2.504 -10.118 1.00 0.00 C ATOM 811 O VAL A 54 -4.892 3.038 -9.302 1.00 0.00 O ATOM 812 CB VAL A 54 -5.546 1.223 -11.736 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.824 1.786 -11.132 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.072 2.082 -12.899 1.00 0.00 C ATOM 0 H VAL A 54 -5.689 0.466 -9.105 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.545 0.700 -11.120 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.761 0.224 -12.116 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.591 1.857 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.171 1.128 -10.335 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.628 2.777 -10.724 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.862 2.149 -13.647 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.828 3.081 -12.538 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.186 1.632 -13.346 1.00 0.00 H new ATOM 824 N GLU A 55 -3.036 3.085 -10.574 1.00 0.00 N ATOM 825 CA GLU A 55 -2.634 4.414 -10.130 1.00 0.00 C ATOM 826 C GLU A 55 -3.833 5.357 -10.078 1.00 0.00 C ATOM 827 O GLU A 55 -4.771 5.230 -10.866 1.00 0.00 O ATOM 828 CB GLU A 55 -1.563 4.985 -11.063 1.00 0.00 C ATOM 829 CG GLU A 55 -0.145 4.617 -10.658 1.00 0.00 C ATOM 830 CD GLU A 55 0.795 4.527 -11.845 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.311 4.272 -12.967 1.00 0.00 O ATOM 832 OE2 GLU A 55 2.014 4.710 -11.649 1.00 0.00 O ATOM 0 H GLU A 55 -2.404 2.657 -11.250 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.221 4.324 -9.125 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.747 4.627 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.655 6.071 -11.087 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.233 5.360 -9.955 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.157 3.661 -10.135 1.00 0.00 H new ATOM 839 N SER A 56 -3.796 6.301 -9.144 1.00 0.00 N ATOM 840 CA SER A 56 -4.880 7.263 -8.985 1.00 0.00 C ATOM 841 C SER A 56 -4.511 8.335 -7.964 1.00 0.00 C ATOM 842 O SER A 56 -3.524 8.222 -7.237 1.00 0.00 O ATOM 843 CB SER A 56 -6.163 6.550 -8.551 1.00 0.00 C ATOM 844 OG SER A 56 -6.439 6.786 -7.181 1.00 0.00 O ATOM 0 H SER A 56 -3.027 6.420 -8.485 1.00 0.00 H new ATOM 0 HA SER A 56 -5.048 7.746 -9.948 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.999 6.897 -9.159 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.065 5.479 -8.726 1.00 0.00 H new ATOM 0 HG SER A 56 -7.264 6.321 -6.929 1.00 0.00 H new ATOM 850 N PRO A 57 -5.322 9.402 -7.909 1.00 0.00 N ATOM 851 CA PRO A 57 -5.102 10.516 -6.981 1.00 0.00 C ATOM 852 C PRO A 57 -5.358 10.122 -5.531 1.00 0.00 C ATOM 853 O PRO A 57 -5.268 10.952 -4.627 1.00 0.00 O ATOM 854 CB PRO A 57 -6.118 11.565 -7.439 1.00 0.00 C ATOM 855 CG PRO A 57 -7.196 10.781 -8.106 1.00 0.00 C ATOM 856 CD PRO A 57 -6.516 9.603 -8.746 1.00 0.00 C ATOM 0 HA PRO A 57 -4.070 10.866 -7.001 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.507 12.135 -6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.666 12.281 -8.126 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.945 10.455 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.714 11.385 -8.851 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.157 8.722 -8.749 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.250 9.807 -9.783 1.00 0.00 H new ATOM 864 N ALA A 58 -5.679 8.850 -5.316 1.00 0.00 N ATOM 865 CA ALA A 58 -5.946 8.346 -3.974 1.00 0.00 C ATOM 866 C ALA A 58 -4.961 7.246 -3.594 1.00 0.00 C ATOM 867 O ALA A 58 -4.855 6.869 -2.427 1.00 0.00 O ATOM 868 CB ALA A 58 -7.375 7.833 -3.879 1.00 0.00 C ATOM 0 H ALA A 58 -5.760 8.150 -6.054 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.819 9.169 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.561 7.460 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.068 8.645 -4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.521 7.027 -4.598 1.00 0.00 H new ATOM 874 N LEU A 59 -4.242 6.734 -4.587 1.00 0.00 N ATOM 875 CA LEU A 59 -3.264 5.676 -4.357 1.00 0.00 C ATOM 876 C LEU A 59 -1.962 5.968 -5.096 1.00 0.00 C ATOM 877 O LEU A 59 -1.874 5.796 -6.312 1.00 0.00 O ATOM 878 CB LEU A 59 -3.828 4.327 -4.807 1.00 0.00 C ATOM 879 CG LEU A 59 -2.878 3.134 -4.702 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.646 1.870 -4.348 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.111 2.947 -6.003 1.00 0.00 C ATOM 0 H LEU A 59 -4.318 7.034 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.052 5.636 -3.288 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.717 4.111 -4.214 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.151 4.419 -5.844 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.161 3.334 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.953 1.031 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.150 2.006 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.386 1.665 -5.121 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.440 2.093 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.814 2.769 -6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.530 3.844 -6.215 1.00 0.00 H new ATOM 893 N LEU A 60 -0.952 6.407 -4.353 1.00 0.00 N ATOM 894 CA LEU A 60 0.347 6.721 -4.936 1.00 0.00 C ATOM 895 C LEU A 60 1.300 5.536 -4.813 1.00 0.00 C ATOM 896 O LEU A 60 1.469 4.972 -3.731 1.00 0.00 O ATOM 897 CB LEU A 60 0.952 7.949 -4.254 1.00 0.00 C ATOM 898 CG LEU A 60 0.131 9.236 -4.338 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.815 10.358 -3.572 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.087 9.635 -5.791 1.00 0.00 C ATOM 0 H LEU A 60 -1.008 6.554 -3.345 1.00 0.00 H new ATOM 0 HA LEU A 60 0.199 6.937 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.114 7.713 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.932 8.138 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.842 9.054 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.216 11.266 -3.644 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.919 10.073 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.802 10.540 -3.998 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.673 10.553 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.877 9.798 -6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.622 8.840 -6.310 1.00 0.00 H new ATOM 912 N LEU A 61 1.921 5.164 -5.926 1.00 0.00 N ATOM 913 CA LEU A 61 2.859 4.047 -5.943 1.00 0.00 C ATOM 914 C LEU A 61 4.300 4.547 -5.954 1.00 0.00 C ATOM 915 O LEU A 61 4.776 5.074 -6.959 1.00 0.00 O ATOM 916 CB LEU A 61 2.605 3.160 -7.163 1.00 0.00 C ATOM 917 CG LEU A 61 1.221 2.517 -7.249 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.114 1.644 -8.490 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.933 1.702 -5.996 1.00 0.00 C ATOM 0 H LEU A 61 1.792 5.620 -6.829 1.00 0.00 H new ATOM 0 HA LEU A 61 2.704 3.461 -5.037 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.762 3.758 -8.061 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.353 2.367 -7.173 1.00 0.00 H new ATOM 0 HG LEU A 61 0.477 3.310 -7.322 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.122 1.195 -8.534 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.276 2.254 -9.379 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.867 0.857 -8.447 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.056 1.251 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.682 0.917 -5.892 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.967 2.353 -5.123 1.00 0.00 H new ATOM 931 N GLN A 62 4.989 4.375 -4.830 1.00 0.00 N ATOM 932 CA GLN A 62 6.376 4.808 -4.712 1.00 0.00 C ATOM 933 C GLN A 62 7.332 3.667 -5.044 1.00 0.00 C ATOM 934 O GLN A 62 6.990 2.493 -4.898 1.00 0.00 O ATOM 935 CB GLN A 62 6.653 5.325 -3.299 1.00 0.00 C ATOM 936 CG GLN A 62 5.761 6.486 -2.891 1.00 0.00 C ATOM 937 CD GLN A 62 5.734 7.593 -3.927 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.779 8.065 -4.375 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.535 8.014 -4.313 1.00 0.00 N ATOM 0 H GLN A 62 4.610 3.939 -3.989 1.00 0.00 H new ATOM 0 HA GLN A 62 6.540 5.615 -5.426 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.520 4.508 -2.590 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.695 5.638 -3.233 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.747 6.121 -2.729 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.110 6.891 -1.941 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.695 7.594 -3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.454 8.757 -5.007 1.00 0.00 H new ATOM 948 N LYS A 63 8.533 4.019 -5.492 1.00 0.00 N ATOM 949 CA LYS A 63 9.540 3.025 -5.845 1.00 0.00 C ATOM 950 C LYS A 63 10.927 3.473 -5.395 1.00 0.00 C ATOM 951 O LYS A 63 11.447 4.481 -5.870 1.00 0.00 O ATOM 952 CB LYS A 63 9.537 2.780 -7.356 1.00 0.00 C ATOM 953 CG LYS A 63 8.155 2.506 -7.925 1.00 0.00 C ATOM 954 CD LYS A 63 8.061 2.920 -9.383 1.00 0.00 C ATOM 955 CE LYS A 63 7.734 4.399 -9.523 1.00 0.00 C ATOM 956 NZ LYS A 63 8.965 5.236 -9.581 1.00 0.00 N ATOM 0 H LYS A 63 8.832 4.986 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 63 9.293 2.096 -5.332 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.961 3.650 -7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.187 1.934 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.926 1.444 -7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.407 3.046 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.005 2.706 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.294 2.328 -9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.145 4.557 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.118 4.716 -8.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.786 6.076 -10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.228 5.534 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.742 4.683 -9.996 1.00 0.00 H new ATOM 970 N GLU A 64 11.519 2.715 -4.477 1.00 0.00 N ATOM 971 CA GLU A 64 12.847 3.035 -3.965 1.00 0.00 C ATOM 972 C GLU A 64 13.927 2.305 -4.757 1.00 0.00 C ATOM 973 O GLU A 64 13.632 1.592 -5.717 1.00 0.00 O ATOM 974 CB GLU A 64 12.948 2.666 -2.483 1.00 0.00 C ATOM 975 CG GLU A 64 13.902 3.552 -1.699 1.00 0.00 C ATOM 976 CD GLU A 64 13.496 3.703 -0.246 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.282 3.641 0.041 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.393 3.884 0.604 1.00 0.00 O ATOM 0 H GLU A 64 11.101 1.877 -4.073 1.00 0.00 H new ATOM 0 HA GLU A 64 13.003 4.108 -4.077 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.957 2.727 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.274 1.630 -2.397 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.907 3.132 -1.750 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.944 4.536 -2.165 1.00 0.00 H new ATOM 985 N ASP A 65 15.178 2.488 -4.349 1.00 0.00 N ATOM 986 CA ASP A 65 16.302 1.847 -5.020 1.00 0.00 C ATOM 987 C ASP A 65 15.997 0.382 -5.313 1.00 0.00 C ATOM 988 O ASP A 65 16.013 -0.050 -6.466 1.00 0.00 O ATOM 989 CB ASP A 65 17.564 1.957 -4.163 1.00 0.00 C ATOM 990 CG ASP A 65 18.369 3.203 -4.474 1.00 0.00 C ATOM 991 OD1 ASP A 65 17.861 4.316 -4.222 1.00 0.00 O ATOM 992 OD2 ASP A 65 19.507 3.066 -4.969 1.00 0.00 O ATOM 0 H ASP A 65 15.439 3.075 -3.557 1.00 0.00 H new ATOM 0 HA ASP A 65 16.469 2.360 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.285 1.962 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.186 1.077 -4.323 1.00 0.00 H new ATOM 997 N THR A 66 15.719 -0.382 -4.260 1.00 0.00 N ATOM 998 CA THR A 66 15.412 -1.799 -4.403 1.00 0.00 C ATOM 999 C THR A 66 14.198 -2.186 -3.566 1.00 0.00 C ATOM 1000 O THR A 66 13.843 -3.361 -3.476 1.00 0.00 O ATOM 1001 CB THR A 66 16.608 -2.677 -3.989 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.385 -2.008 -2.990 1.00 0.00 O ATOM 1003 CG2 THR A 66 17.485 -2.998 -5.190 1.00 0.00 C ATOM 0 H THR A 66 15.700 -0.042 -3.299 1.00 0.00 H new ATOM 0 HA THR A 66 15.192 -1.970 -5.457 1.00 0.00 H new ATOM 0 HB THR A 66 16.221 -3.611 -3.582 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.142 -2.574 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.323 -3.619 -4.873 1.00 0.00 H new ATOM 0 HG22 THR A 66 16.898 -3.534 -5.936 1.00 0.00 H new ATOM 0 HG23 THR A 66 17.863 -2.072 -5.622 1.00 0.00 H new ATOM 1011 N VAL A 67 13.564 -1.190 -2.956 1.00 0.00 N ATOM 1012 CA VAL A 67 12.388 -1.426 -2.127 1.00 0.00 C ATOM 1013 C VAL A 67 11.220 -0.551 -2.568 1.00 0.00 C ATOM 1014 O VAL A 67 11.304 0.677 -2.534 1.00 0.00 O ATOM 1015 CB VAL A 67 12.685 -1.156 -0.640 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.405 0.174 -0.473 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.400 -1.181 0.173 1.00 0.00 C ATOM 0 H VAL A 67 13.845 -0.212 -3.020 1.00 0.00 H new ATOM 0 HA VAL A 67 12.119 -2.475 -2.251 1.00 0.00 H new ATOM 0 HB VAL A 67 13.338 -1.946 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.607 0.348 0.584 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.346 0.150 -1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 67 12.779 0.978 -0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.629 -0.988 1.221 1.00 0.00 H new ATOM 0 HG22 VAL A 67 10.720 -0.413 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.929 -2.159 0.078 1.00 0.00 H new ATOM 1027 N ARG A 68 10.131 -1.191 -2.981 1.00 0.00 N ATOM 1028 CA ARG A 68 8.946 -0.471 -3.430 1.00 0.00 C ATOM 1029 C ARG A 68 8.091 -0.038 -2.242 1.00 0.00 C ATOM 1030 O ARG A 68 7.982 -0.756 -1.249 1.00 0.00 O ATOM 1031 CB ARG A 68 8.119 -1.345 -4.375 1.00 0.00 C ATOM 1032 CG ARG A 68 8.878 -1.787 -5.616 1.00 0.00 C ATOM 1033 CD ARG A 68 8.955 -0.673 -6.648 1.00 0.00 C ATOM 1034 NE ARG A 68 9.270 -1.182 -7.980 1.00 0.00 N ATOM 1035 CZ ARG A 68 8.352 -1.621 -8.835 1.00 0.00 C ATOM 1036 NH1 ARG A 68 7.070 -1.613 -8.498 1.00 0.00 N ATOM 1037 NH2 ARG A 68 8.717 -2.069 -10.029 1.00 0.00 N ATOM 0 H ARG A 68 10.045 -2.207 -3.014 1.00 0.00 H new ATOM 0 HA ARG A 68 9.274 0.420 -3.965 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.778 -2.228 -3.834 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.229 -0.794 -4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.885 -2.096 -5.337 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.387 -2.656 -6.053 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.004 -0.141 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.714 0.049 -6.347 1.00 0.00 H new ATOM 0 HE ARG A 68 10.248 -1.202 -8.270 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.786 -1.269 -7.581 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.368 -1.950 -9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.703 -2.077 -10.291 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.012 -2.406 -10.685 1.00 0.00 H new ATOM 1051 N ARG A 69 7.488 1.141 -2.353 1.00 0.00 N ATOM 1052 CA ARG A 69 6.644 1.671 -1.288 1.00 0.00 C ATOM 1053 C ARG A 69 5.309 2.158 -1.844 1.00 0.00 C ATOM 1054 O ARG A 69 5.251 2.742 -2.927 1.00 0.00 O ATOM 1055 CB ARG A 69 7.357 2.816 -0.567 1.00 0.00 C ATOM 1056 CG ARG A 69 8.415 2.350 0.419 1.00 0.00 C ATOM 1057 CD ARG A 69 8.749 3.434 1.432 1.00 0.00 C ATOM 1058 NE ARG A 69 9.749 4.369 0.924 1.00 0.00 N ATOM 1059 CZ ARG A 69 10.120 5.470 1.568 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.578 5.772 2.739 1.00 0.00 N ATOM 1061 NH2 ARG A 69 11.036 6.272 1.040 1.00 0.00 N ATOM 0 H ARG A 69 7.568 1.747 -3.169 1.00 0.00 H new ATOM 0 HA ARG A 69 6.450 0.868 -0.577 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.824 3.466 -1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.618 3.416 -0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.062 1.460 0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.318 2.065 -0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.842 3.979 1.692 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.117 2.973 2.349 1.00 0.00 H new ATOM 0 HE ARG A 69 10.187 4.166 0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.874 5.158 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.865 6.618 3.231 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.456 6.043 0.139 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.320 7.117 1.535 1.00 0.00 H new ATOM 1075 N LEU A 70 4.239 1.913 -1.096 1.00 0.00 N ATOM 1076 CA LEU A 70 2.903 2.326 -1.513 1.00 0.00 C ATOM 1077 C LEU A 70 2.329 3.362 -0.553 1.00 0.00 C ATOM 1078 O LEU A 70 1.828 3.021 0.519 1.00 0.00 O ATOM 1079 CB LEU A 70 1.974 1.113 -1.588 1.00 0.00 C ATOM 1080 CG LEU A 70 0.477 1.407 -1.478 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.047 2.396 -2.551 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.328 0.120 -1.583 1.00 0.00 C ATOM 0 H LEU A 70 4.270 1.431 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 70 2.981 2.778 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.155 0.600 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.248 0.421 -0.792 1.00 0.00 H new ATOM 0 HG LEU A 70 0.284 1.854 -0.503 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.021 2.593 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.600 3.327 -2.430 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.253 1.977 -3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.391 0.348 -1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.130 -0.355 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.040 -0.556 -0.778 1.00 0.00 H new ATOM 1094 N VAL A 71 2.403 4.630 -0.945 1.00 0.00 N ATOM 1095 CA VAL A 71 1.888 5.717 -0.121 1.00 0.00 C ATOM 1096 C VAL A 71 0.499 6.145 -0.582 1.00 0.00 C ATOM 1097 O VAL A 71 0.242 6.272 -1.780 1.00 0.00 O ATOM 1098 CB VAL A 71 2.826 6.938 -0.152 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.206 8.107 0.599 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.185 6.580 0.431 1.00 0.00 C ATOM 0 H VAL A 71 2.815 4.930 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 71 1.829 5.340 0.900 1.00 0.00 H new ATOM 0 HB VAL A 71 2.969 7.239 -1.190 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.883 8.961 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.258 8.377 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.032 7.822 1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.835 7.454 0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.063 6.253 1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.631 5.776 -0.154 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.394 6.368 0.376 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.758 6.783 0.069 1.00 0.00 C ATOM 1112 C LEU A 72 -2.071 8.135 0.702 1.00 0.00 C ATOM 1113 O LEU A 72 -2.227 8.257 1.918 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.755 5.733 0.562 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.762 4.406 -0.198 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.550 3.568 0.179 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.048 3.640 0.079 1.00 0.00 C ATOM 0 H LEU A 72 -0.198 6.268 1.372 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.847 6.880 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.546 5.527 1.612 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.756 6.161 0.515 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.712 4.621 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.572 2.628 -0.372 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.639 4.113 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.569 3.362 1.249 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.036 2.698 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.128 3.437 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.903 4.236 -0.241 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.168 9.175 -0.139 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.466 10.536 0.316 1.00 0.00 C ATOM 1131 C PRO A 73 -3.900 10.679 0.813 1.00 0.00 C ATOM 1132 O PRO A 73 -4.263 11.695 1.407 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.249 11.385 -0.939 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.470 10.446 -2.075 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.994 9.102 -1.600 1.00 0.00 C ATOM 0 HA PRO A 73 -1.841 10.830 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.946 12.222 -0.976 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.244 11.806 -0.963 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.523 10.411 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.918 10.766 -2.959 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.580 8.292 -2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.954 8.925 -1.872 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.712 9.657 0.568 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.106 9.668 0.994 1.00 0.00 C ATOM 1145 C ALA A 74 -6.714 8.271 0.924 1.00 0.00 C ATOM 1146 O ALA A 74 -6.992 7.758 -0.160 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.911 10.638 0.141 1.00 0.00 C ATOM 0 H ALA A 74 -4.428 8.810 0.076 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.139 9.999 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.950 10.636 0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.499 11.642 0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.861 10.332 -0.904 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.916 7.660 2.087 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.490 6.322 2.158 1.00 0.00 C ATOM 1155 C VAL A 75 -8.968 6.377 2.529 1.00 0.00 C ATOM 1156 O VAL A 75 -9.502 7.444 2.830 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.747 5.445 3.183 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.249 5.703 3.120 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.281 5.697 4.585 1.00 0.00 C ATOM 0 H VAL A 75 -6.690 8.071 2.993 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.383 5.879 1.168 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.922 4.398 2.935 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.741 5.075 3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.881 5.468 2.121 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.051 6.751 3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.745 5.069 5.297 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.137 6.746 4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.344 5.457 4.618 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.622 5.220 2.506 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.039 5.138 2.840 1.00 0.00 C ATOM 1171 C GLN A 76 -11.342 3.858 3.613 1.00 0.00 C ATOM 1172 O GLN A 76 -10.725 2.818 3.379 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.888 5.193 1.570 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.557 6.371 0.667 1.00 0.00 C ATOM 1175 CD GLN A 76 -10.490 6.039 -0.357 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -10.511 4.971 -0.968 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -9.549 6.956 -0.551 1.00 0.00 N ATOM 0 H GLN A 76 -9.194 4.328 2.260 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.288 5.991 3.472 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.751 4.267 1.011 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -12.941 5.244 1.849 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -12.461 6.694 0.152 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -11.221 7.209 1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.570 7.828 -0.022 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.805 6.788 -1.229 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.294 3.942 4.535 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.680 2.790 5.344 1.00 0.00 C ATOM 1188 C LEU A 77 -12.887 1.557 4.471 1.00 0.00 C ATOM 1189 O LEU A 77 -12.562 0.440 4.872 1.00 0.00 O ATOM 1190 CB LEU A 77 -13.958 3.097 6.126 1.00 0.00 C ATOM 1191 CG LEU A 77 -13.926 4.351 7.001 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.290 4.603 7.623 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -12.861 4.220 8.081 1.00 0.00 C ATOM 0 H LEU A 77 -12.813 4.795 4.742 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.873 2.583 6.047 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.779 3.195 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.186 2.241 6.761 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.674 5.204 6.371 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.248 5.499 8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.030 4.741 6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.572 3.749 8.239 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -12.852 5.121 8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.083 3.356 8.708 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -11.884 4.089 7.615 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.428 1.769 3.275 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.677 0.673 2.346 1.00 0.00 C ATOM 1207 C GLU A 78 -12.366 0.088 1.830 1.00 0.00 C ATOM 1208 O GLU A 78 -12.243 -1.123 1.649 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.530 1.156 1.170 1.00 0.00 C ATOM 1210 CG GLU A 78 -15.986 1.393 1.531 1.00 0.00 C ATOM 1211 CD GLU A 78 -16.732 0.106 1.824 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -16.392 -0.562 2.824 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -17.654 -0.235 1.054 1.00 0.00 O ATOM 0 H GLU A 78 -13.702 2.688 2.927 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.217 -0.108 2.882 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.106 2.081 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.479 0.419 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -16.039 2.045 2.403 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.479 1.916 0.711 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.389 0.957 1.597 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.085 0.528 1.103 1.00 0.00 C ATOM 1222 C ASP A 79 -9.474 -0.522 2.025 1.00 0.00 C ATOM 1223 O ASP A 79 -8.767 -1.423 1.574 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.143 1.727 0.978 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.539 2.659 -0.150 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.713 2.614 -0.572 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -8.675 3.434 -0.611 1.00 0.00 O ATOM 0 H ASP A 79 -11.475 1.963 1.742 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.225 0.083 0.118 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.137 2.280 1.917 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.126 1.371 0.811 1.00 0.00 H new ATOM 1232 N SER A 80 -9.750 -0.398 3.319 1.00 0.00 N ATOM 1233 CA SER A 80 -9.222 -1.333 4.306 1.00 0.00 C ATOM 1234 C SER A 80 -9.616 -2.766 3.961 1.00 0.00 C ATOM 1235 O SER A 80 -10.795 -3.119 3.978 1.00 0.00 O ATOM 1236 CB SER A 80 -9.732 -0.974 5.703 1.00 0.00 C ATOM 1237 OG SER A 80 -11.066 -1.416 5.889 1.00 0.00 O ATOM 0 H SER A 80 -10.336 0.340 3.709 1.00 0.00 H new ATOM 0 HA SER A 80 -8.134 -1.261 4.294 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.087 -1.427 6.456 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.680 0.105 5.846 1.00 0.00 H new ATOM 0 HG SER A 80 -11.685 -0.750 5.523 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.620 -3.589 3.648 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.881 -4.974 3.303 1.00 0.00 C ATOM 1245 C GLY A 81 -7.636 -5.835 3.378 1.00 0.00 C ATOM 1246 O GLY A 81 -7.037 -5.980 4.443 1.00 0.00 O ATOM 0 H GLY A 81 -7.636 -3.321 3.627 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.638 -5.376 3.976 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.292 -5.023 2.295 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.246 -6.408 2.244 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.065 -7.262 2.187 1.00 0.00 C ATOM 1252 C GLU A 82 -5.180 -6.889 1.001 1.00 0.00 C ATOM 1253 O GLU A 82 -5.450 -7.278 -0.136 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.475 -8.733 2.088 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.430 -9.694 2.630 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.801 -11.146 2.402 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.990 -11.489 2.570 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -4.901 -11.941 2.057 1.00 0.00 O ATOM 0 H GLU A 82 -7.730 -6.297 1.353 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.496 -7.112 3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.408 -8.879 2.633 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.674 -8.977 1.044 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.471 -9.489 2.154 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.300 -9.519 3.698 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.124 -6.131 1.273 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.201 -5.702 0.229 1.00 0.00 C ATOM 1267 C TYR A 83 -2.139 -6.766 -0.030 1.00 0.00 C ATOM 1268 O TYR A 83 -1.232 -6.966 0.779 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.532 -4.383 0.621 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.336 -3.160 0.239 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.340 -2.678 1.069 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.091 -2.488 -0.951 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.077 -1.562 0.724 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.821 -1.370 -1.304 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.814 -0.911 -0.463 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.545 0.202 -0.811 1.00 0.00 O ATOM 0 H TYR A 83 -3.886 -5.801 2.208 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.772 -5.554 -0.687 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.365 -4.376 1.698 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.553 -4.327 0.146 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.548 -3.184 2.000 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.316 -2.846 -1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -5.855 -1.201 1.380 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.616 -0.858 -2.233 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.233 0.541 -1.676 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.258 -7.447 -1.165 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.308 -8.491 -1.533 1.00 0.00 C ATOM 1288 C LEU A 84 -0.405 -8.028 -2.672 1.00 0.00 C ATOM 1289 O LEU A 84 -0.872 -7.769 -3.782 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.053 -9.763 -1.943 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.256 -10.806 -0.842 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.972 -11.585 -0.602 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.727 -10.140 0.443 1.00 0.00 C ATOM 0 H LEU A 84 -3.002 -7.295 -1.846 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.686 -8.705 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.031 -9.478 -2.331 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.508 -10.231 -2.763 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.026 -11.506 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.135 -12.322 0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.678 -12.093 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.182 -10.899 -0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.866 -10.897 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.980 -9.418 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.672 -9.628 0.262 1.00 0.00 H new ATOM 1305 N CYS A 85 0.889 -7.930 -2.390 1.00 0.00 N ATOM 1306 CA CYS A 85 1.859 -7.500 -3.391 1.00 0.00 C ATOM 1307 C CYS A 85 2.503 -8.701 -4.076 1.00 0.00 C ATOM 1308 O CYS A 85 3.323 -9.400 -3.481 1.00 0.00 O ATOM 1309 CB CYS A 85 2.937 -6.627 -2.746 1.00 0.00 C ATOM 1310 SG CYS A 85 3.989 -5.757 -3.931 1.00 0.00 S ATOM 0 H CYS A 85 1.291 -8.142 -1.477 1.00 0.00 H new ATOM 0 HA CYS A 85 1.331 -6.915 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.456 -5.895 -2.097 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.564 -7.253 -2.111 1.00 0.00 H new ATOM 0 HG CYS A 85 3.653 -4.502 -3.969 1.00 0.00 H new ATOM 1316 N GLU A 86 2.125 -8.935 -5.329 1.00 0.00 N ATOM 1317 CA GLU A 86 2.664 -10.054 -6.092 1.00 0.00 C ATOM 1318 C GLU A 86 3.743 -9.581 -7.062 1.00 0.00 C ATOM 1319 O GLU A 86 3.618 -8.521 -7.677 1.00 0.00 O ATOM 1320 CB GLU A 86 1.546 -10.761 -6.861 1.00 0.00 C ATOM 1321 CG GLU A 86 0.248 -10.876 -6.080 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.565 -12.093 -6.476 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -1.379 -11.982 -7.416 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -0.389 -13.156 -5.845 1.00 0.00 O ATOM 0 H GLU A 86 1.448 -8.365 -5.836 1.00 0.00 H new ATOM 0 HA GLU A 86 3.113 -10.757 -5.390 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.356 -10.220 -7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.883 -11.760 -7.138 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.473 -10.925 -5.014 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.348 -9.978 -6.239 1.00 0.00 H new ATOM 1331 N ILE A 87 4.801 -10.373 -7.193 1.00 0.00 N ATOM 1332 CA ILE A 87 5.902 -10.036 -8.088 1.00 0.00 C ATOM 1333 C ILE A 87 5.972 -11.006 -9.262 1.00 0.00 C ATOM 1334 O ILE A 87 5.847 -10.606 -10.420 1.00 0.00 O ATOM 1335 CB ILE A 87 7.252 -10.046 -7.348 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.382 -10.423 -8.308 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.205 -11.009 -6.171 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.711 -9.792 -7.955 1.00 0.00 C ATOM 0 H ILE A 87 4.920 -11.253 -6.691 1.00 0.00 H new ATOM 0 HA ILE A 87 5.709 -9.030 -8.461 1.00 0.00 H new ATOM 0 HB ILE A 87 7.446 -9.044 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.494 -11.507 -8.316 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.104 -10.124 -9.319 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.167 -11.004 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.423 -10.699 -5.478 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.991 -12.015 -6.532 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.465 -10.103 -8.678 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.615 -8.706 -7.975 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.012 -10.111 -6.957 1.00 0.00 H new ATOM 1350 N ASP A 88 6.171 -12.284 -8.956 1.00 0.00 N ATOM 1351 CA ASP A 88 6.255 -13.313 -9.986 1.00 0.00 C ATOM 1352 C ASP A 88 5.431 -14.537 -9.600 1.00 0.00 C ATOM 1353 O ASP A 88 4.373 -14.793 -10.174 1.00 0.00 O ATOM 1354 CB ASP A 88 7.712 -13.715 -10.218 1.00 0.00 C ATOM 1355 CG ASP A 88 7.975 -14.139 -11.650 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.128 -13.250 -12.513 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.027 -15.360 -11.907 1.00 0.00 O ATOM 0 H ASP A 88 6.277 -12.632 -8.003 1.00 0.00 H new ATOM 0 HA ASP A 88 5.849 -12.901 -10.910 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.362 -12.877 -9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 88 7.971 -14.533 -9.546 1.00 0.00 H new ATOM 1362 N ASP A 89 5.925 -15.291 -8.624 1.00 0.00 N ATOM 1363 CA ASP A 89 5.235 -16.490 -8.160 1.00 0.00 C ATOM 1364 C ASP A 89 4.881 -16.375 -6.681 1.00 0.00 C ATOM 1365 O ASP A 89 4.149 -17.204 -6.142 1.00 0.00 O ATOM 1366 CB ASP A 89 6.104 -17.727 -8.395 1.00 0.00 C ATOM 1367 CG ASP A 89 5.280 -18.988 -8.567 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.218 -19.095 -7.920 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.698 -19.868 -9.349 1.00 0.00 O ATOM 0 H ASP A 89 6.800 -15.094 -8.139 1.00 0.00 H new ATOM 0 HA ASP A 89 4.311 -16.591 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.718 -17.573 -9.283 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.786 -17.854 -7.554 1.00 0.00 H new ATOM 1374 N GLU A 90 5.407 -15.342 -6.030 1.00 0.00 N ATOM 1375 CA GLU A 90 5.148 -15.120 -4.612 1.00 0.00 C ATOM 1376 C GLU A 90 4.310 -13.862 -4.403 1.00 0.00 C ATOM 1377 O GLU A 90 4.126 -13.066 -5.323 1.00 0.00 O ATOM 1378 CB GLU A 90 6.465 -15.003 -3.842 1.00 0.00 C ATOM 1379 CG GLU A 90 7.536 -15.970 -4.318 1.00 0.00 C ATOM 1380 CD GLU A 90 8.931 -15.546 -3.901 1.00 0.00 C ATOM 1381 OE1 GLU A 90 9.050 -14.751 -2.945 1.00 0.00 O ATOM 1382 OE2 GLU A 90 9.905 -16.009 -4.532 1.00 0.00 O ATOM 0 H GLU A 90 6.015 -14.646 -6.462 1.00 0.00 H new ATOM 0 HA GLU A 90 4.589 -15.975 -4.233 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.841 -13.984 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.274 -15.178 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.327 -16.963 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.493 -16.048 -5.404 1.00 0.00 H new ATOM 1389 N SER A 91 3.804 -13.691 -3.186 1.00 0.00 N ATOM 1390 CA SER A 91 2.981 -12.533 -2.855 1.00 0.00 C ATOM 1391 C SER A 91 3.189 -12.117 -1.402 1.00 0.00 C ATOM 1392 O SER A 91 3.353 -12.959 -0.521 1.00 0.00 O ATOM 1393 CB SER A 91 1.504 -12.843 -3.103 1.00 0.00 C ATOM 1394 OG SER A 91 1.135 -14.076 -2.510 1.00 0.00 O ATOM 0 H SER A 91 3.949 -14.340 -2.412 1.00 0.00 H new ATOM 0 HA SER A 91 3.284 -11.707 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.888 -12.041 -2.696 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.312 -12.880 -4.175 1.00 0.00 H new ATOM 0 HG SER A 91 0.186 -14.250 -2.681 1.00 0.00 H new ATOM 1400 N ALA A 92 3.179 -10.810 -1.161 1.00 0.00 N ATOM 1401 CA ALA A 92 3.364 -10.280 0.184 1.00 0.00 C ATOM 1402 C ALA A 92 2.039 -9.815 0.778 1.00 0.00 C ATOM 1403 O ALA A 92 1.308 -9.041 0.159 1.00 0.00 O ATOM 1404 CB ALA A 92 4.367 -9.136 0.168 1.00 0.00 C ATOM 0 H ALA A 92 3.045 -10.099 -1.880 1.00 0.00 H new ATOM 0 HA ALA A 92 3.753 -11.081 0.812 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.495 -8.750 1.179 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.325 -9.497 -0.207 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.001 -8.340 -0.480 1.00 0.00 H new ATOM 1410 N SER A 93 1.734 -10.292 1.980 1.00 0.00 N ATOM 1411 CA SER A 93 0.494 -9.928 2.656 1.00 0.00 C ATOM 1412 C SER A 93 0.661 -8.628 3.435 1.00 0.00 C ATOM 1413 O SER A 93 1.559 -8.501 4.269 1.00 0.00 O ATOM 1414 CB SER A 93 0.055 -11.049 3.600 1.00 0.00 C ATOM 1415 OG SER A 93 -0.944 -10.598 4.498 1.00 0.00 O ATOM 0 H SER A 93 2.329 -10.932 2.506 1.00 0.00 H new ATOM 0 HA SER A 93 -0.274 -9.780 1.897 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.326 -11.889 3.019 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.915 -11.414 4.161 1.00 0.00 H new ATOM 0 HG SER A 93 -1.208 -11.333 5.089 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.210 -7.663 3.158 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.159 -6.371 3.832 1.00 0.00 C ATOM 1423 C PHE A 94 -1.540 -5.969 4.342 1.00 0.00 C ATOM 1424 O PHE A 94 -2.377 -5.479 3.582 1.00 0.00 O ATOM 1425 CB PHE A 94 0.379 -5.298 2.883 1.00 0.00 C ATOM 1426 CG PHE A 94 1.871 -5.340 2.716 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.706 -4.832 3.697 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.438 -5.886 1.575 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.080 -4.870 3.546 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.810 -5.927 1.419 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.632 -5.417 2.405 1.00 0.00 C ATOM 0 H PHE A 94 -0.959 -7.751 2.472 1.00 0.00 H new ATOM 0 HA PHE A 94 0.512 -6.461 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.091 -5.418 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.091 -4.316 3.257 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.279 -4.401 4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.800 -6.284 0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.720 -4.472 4.319 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.240 -6.358 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.705 -5.446 2.284 1.00 0.00 H new ATOM 1441 N THR A 95 -1.773 -6.180 5.634 1.00 0.00 N ATOM 1442 CA THR A 95 -3.051 -5.842 6.246 1.00 0.00 C ATOM 1443 C THR A 95 -3.132 -4.353 6.565 1.00 0.00 C ATOM 1444 O THR A 95 -2.277 -3.812 7.266 1.00 0.00 O ATOM 1445 CB THR A 95 -3.286 -6.646 7.538 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.381 -8.043 7.236 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.555 -6.186 8.239 1.00 0.00 C ATOM 0 H THR A 95 -1.092 -6.584 6.277 1.00 0.00 H new ATOM 0 HA THR A 95 -3.825 -6.098 5.522 1.00 0.00 H new ATOM 0 HB THR A 95 -2.440 -6.476 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.529 -8.547 8.063 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.700 -6.769 9.149 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.467 -5.130 8.494 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.409 -6.329 7.577 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.165 -3.697 6.047 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.358 -2.270 6.280 1.00 0.00 C ATOM 1457 C VAL A 96 -5.767 -1.981 6.784 1.00 0.00 C ATOM 1458 O VAL A 96 -6.694 -1.788 5.996 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.106 -1.454 4.998 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.371 0.023 5.245 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.686 -1.673 4.498 1.00 0.00 C ATOM 0 H VAL A 96 -4.881 -4.130 5.464 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.636 -1.972 7.040 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.795 -1.798 4.227 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.188 0.584 4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.407 0.160 5.553 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.708 0.385 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.525 -1.089 3.592 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.978 -1.357 5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.536 -2.730 4.280 1.00 0.00 H new ATOM 1471 N THR A 97 -5.923 -1.952 8.104 1.00 0.00 N ATOM 1472 CA THR A 97 -7.220 -1.687 8.715 1.00 0.00 C ATOM 1473 C THR A 97 -7.412 -0.197 8.972 1.00 0.00 C ATOM 1474 O THR A 97 -6.613 0.431 9.667 1.00 0.00 O ATOM 1475 CB THR A 97 -7.382 -2.452 10.042 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.238 -3.858 9.818 1.00 0.00 O ATOM 1477 CG2 THR A 97 -8.740 -2.169 10.667 1.00 0.00 C ATOM 0 H THR A 97 -5.167 -2.109 8.771 1.00 0.00 H new ATOM 0 HA THR A 97 -7.978 -2.031 8.011 1.00 0.00 H new ATOM 0 HB THR A 97 -6.606 -2.113 10.728 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.341 -4.337 10.667 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.832 -2.720 11.603 1.00 0.00 H new ATOM 0 HG22 THR A 97 -8.835 -1.101 10.864 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.528 -2.483 9.983 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.478 0.364 8.409 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.776 1.780 8.580 1.00 0.00 C ATOM 1487 C VAL A 98 -9.933 1.985 9.551 1.00 0.00 C ATOM 1488 O VAL A 98 -10.887 1.206 9.572 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.125 2.446 7.236 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.398 3.930 7.430 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -8.006 2.230 6.228 1.00 0.00 C ATOM 0 H VAL A 98 -9.149 -0.141 7.831 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.878 2.245 8.986 1.00 0.00 H new ATOM 0 HB VAL A 98 -10.031 1.982 6.845 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.643 4.384 6.470 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.235 4.059 8.116 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.512 4.412 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.269 2.707 5.284 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.083 2.666 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.863 1.162 6.067 1.00 0.00 H new ATOM 1501 N THR A 99 -9.843 3.040 10.356 1.00 0.00 N ATOM 1502 CA THR A 99 -10.882 3.348 11.331 1.00 0.00 C ATOM 1503 C THR A 99 -11.258 4.824 11.286 1.00 0.00 C ATOM 1504 O THR A 99 -10.626 5.613 10.584 1.00 0.00 O ATOM 1505 CB THR A 99 -10.435 2.987 12.761 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.135 3.529 13.019 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.409 1.478 12.955 1.00 0.00 C ATOM 0 H THR A 99 -9.061 3.695 10.352 1.00 0.00 H new ATOM 0 HA THR A 99 -11.752 2.746 11.067 1.00 0.00 H new ATOM 0 HB THR A 99 -11.152 3.415 13.462 1.00 0.00 H new ATOM 0 HG1 THR A 99 -8.859 3.297 13.930 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.091 1.247 13.972 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.406 1.072 12.786 1.00 0.00 H new ATOM 0 HG23 THR A 99 -9.711 1.032 12.246 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.290 5.190 12.040 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.749 6.574 12.084 1.00 0.00 C ATOM 1517 C GLU A 100 -11.805 7.434 12.919 1.00 0.00 C ATOM 1518 O GLU A 100 -11.408 7.070 14.026 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.165 6.646 12.660 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.171 5.788 11.911 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.338 5.363 12.781 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.094 4.915 13.922 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.494 5.477 12.323 1.00 0.00 O ATOM 0 H GLU A 100 -12.823 4.549 12.628 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.758 6.960 11.065 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.140 6.334 13.704 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.502 7.683 12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.547 6.343 11.051 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.669 4.901 11.524 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.434 8.603 12.375 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.532 9.540 13.052 1.00 0.00 C ATOM 1532 C PRO A 101 -11.182 10.197 14.264 1.00 0.00 C ATOM 1533 O PRO A 101 -12.403 10.190 14.425 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.232 10.584 11.973 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.406 10.531 11.058 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.868 9.100 11.059 1.00 0.00 C ATOM 0 HA PRO A 101 -9.644 9.042 13.442 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.112 11.577 12.406 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.307 10.353 11.444 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.198 11.197 11.401 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -11.132 10.852 10.053 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.949 9.026 10.938 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.417 8.531 10.246 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.349 10.781 15.139 1.00 0.00 N ATOM 1545 CA PRO A 102 -10.822 11.455 16.352 1.00 0.00 C ATOM 1546 C PRO A 102 -11.563 12.752 16.043 1.00 0.00 C ATOM 1547 O PRO A 102 -11.731 13.121 14.881 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.530 11.748 17.120 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.472 11.810 16.074 1.00 0.00 C ATOM 1550 CD PRO A 102 -8.883 10.828 15.011 1.00 0.00 C ATOM 0 HA PRO A 102 -11.535 10.845 16.906 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.600 12.688 17.668 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.319 10.968 17.851 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.387 12.816 15.664 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.498 11.551 16.489 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.577 11.158 14.019 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.434 9.848 15.174 1.00 0.00 H new