USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 416 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 28 THR OG1 : rot -169:sc= -2.98! USER MOD Set 1.2: A 64 TYR OH : rot -30:sc= -1.05 USER MOD Single : A 10 SER OG : rot 44:sc= 0.212 USER MOD Single : A 11 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.112) USER MOD Single : A 13 SER OG : rot -110:sc= 0.238 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot -53:sc= 0.871 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 5:sc= 0.564 USER MOD Single : A 70 SER OG : rot 180:sc= -0.215 USER MOD Single : A 73 LYS NZ :NH3+ 128:sc= 1.33 (180deg=0.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.222 4.107 7.901 1.00 15.00 N ATOM 162 CA SER A 10 63.380 2.887 8.099 1.00 15.00 C ATOM 163 C SER A 10 63.608 1.882 6.963 1.00 15.00 C ATOM 164 O SER A 10 63.934 2.255 5.851 1.00 15.00 O ATOM 165 CB SER A 10 61.939 3.395 8.081 1.00 15.00 C ATOM 166 OG SER A 10 61.767 4.353 9.117 1.00 15.00 O ATOM 0 HA SER A 10 63.623 2.370 9.027 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.711 3.843 7.114 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.246 2.565 8.219 1.00 15.00 H new ATOM 0 HG SER A 10 62.533 4.964 9.128 1.00 15.00 H new ATOM 172 N LYS A 11 63.438 0.612 7.245 1.00 15.00 N ATOM 173 CA LYS A 11 63.586 -0.435 6.183 1.00 15.00 C ATOM 174 C LYS A 11 62.328 -0.483 5.308 1.00 15.00 C ATOM 175 O LYS A 11 61.222 -0.602 5.805 1.00 15.00 O ATOM 176 CB LYS A 11 63.751 -1.758 6.938 1.00 15.00 C ATOM 177 CG LYS A 11 65.073 -1.753 7.714 1.00 15.00 C ATOM 178 CD LYS A 11 64.956 -2.668 8.935 1.00 15.00 C ATOM 179 CE LYS A 11 64.956 -4.129 8.480 1.00 15.00 C ATOM 180 NZ LYS A 11 66.394 -4.474 8.297 1.00 15.00 N ATOM 0 H LYS A 11 63.202 0.253 8.170 1.00 15.00 H new ATOM 0 HA LYS A 11 64.431 -0.231 5.526 1.00 15.00 H new ATOM 0 HB2 LYS A 11 62.917 -1.902 7.624 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.734 -2.592 6.236 1.00 15.00 H new ATOM 0 HG2 LYS A 11 65.885 -2.091 7.070 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.317 -0.739 8.029 1.00 15.00 H new ATOM 0 HD2 LYS A 11 65.786 -2.489 9.618 1.00 15.00 H new ATOM 0 HD3 LYS A 11 64.040 -2.446 9.482 1.00 15.00 H new ATOM 0 HE2 LYS A 11 64.486 -4.774 9.223 1.00 15.00 H new ATOM 0 HE3 LYS A 11 64.399 -4.254 7.552 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 66.506 -5.049 7.438 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 66.952 -3.601 8.205 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 66.729 -5.014 9.121 1.00 15.00 H new ATOM 194 N ILE A 12 62.492 -0.397 4.009 1.00 15.00 N ATOM 195 CA ILE A 12 61.310 -0.429 3.093 1.00 15.00 C ATOM 196 C ILE A 12 61.551 -1.440 1.967 1.00 15.00 C ATOM 197 O ILE A 12 62.663 -1.606 1.497 1.00 15.00 O ATOM 198 CB ILE A 12 61.180 1.000 2.538 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.917 1.976 3.694 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.010 1.069 1.546 1.00 15.00 C ATOM 201 CD1 ILE A 12 60.985 3.417 3.182 1.00 15.00 C ATOM 0 H ILE A 12 63.395 -0.306 3.544 1.00 15.00 H new ATOM 0 HA ILE A 12 60.397 -0.736 3.604 1.00 15.00 H new ATOM 0 HB ILE A 12 62.105 1.271 2.029 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.937 1.781 4.131 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.653 1.826 4.484 1.00 15.00 H new ATOM 0 HG21 ILE A 12 59.923 2.083 1.156 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.190 0.378 0.722 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.085 0.795 2.054 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.798 4.105 4.006 1.00 15.00 H new ATOM 0 HD12 ILE A 12 61.974 3.609 2.766 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.232 3.564 2.408 1.00 15.00 H new ATOM 213 N SER A 13 60.510 -2.111 1.540 1.00 15.00 N ATOM 214 CA SER A 13 60.631 -3.064 0.398 1.00 15.00 C ATOM 215 C SER A 13 59.839 -2.532 -0.799 1.00 15.00 C ATOM 216 O SER A 13 58.699 -2.129 -0.665 1.00 15.00 O ATOM 217 CB SER A 13 60.027 -4.372 0.905 1.00 15.00 C ATOM 218 OG SER A 13 60.198 -5.381 -0.082 1.00 15.00 O ATOM 0 H SER A 13 59.574 -2.037 1.939 1.00 15.00 H new ATOM 0 HA SER A 13 61.662 -3.199 0.071 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.509 -4.672 1.836 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.968 -4.236 1.124 1.00 15.00 H new ATOM 0 HG SER A 13 59.328 -5.607 -0.473 1.00 15.00 H new ATOM 224 N LEU A 14 60.438 -2.532 -1.962 1.00 15.00 N ATOM 225 CA LEU A 14 59.768 -1.954 -3.164 1.00 15.00 C ATOM 226 C LEU A 14 59.634 -3.017 -4.258 1.00 15.00 C ATOM 227 O LEU A 14 60.558 -3.761 -4.524 1.00 15.00 O ATOM 228 CB LEU A 14 60.694 -0.828 -3.623 1.00 15.00 C ATOM 229 CG LEU A 14 59.904 0.176 -4.460 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.022 1.023 -3.542 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.878 1.087 -5.212 1.00 15.00 C ATOM 0 H LEU A 14 61.370 -2.911 -2.131 1.00 15.00 H new ATOM 0 HA LEU A 14 58.762 -1.595 -2.946 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.134 -0.330 -2.759 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.518 -1.237 -4.209 1.00 15.00 H new ATOM 0 HG LEU A 14 59.277 -0.358 -5.174 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.458 1.740 -4.139 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.330 0.376 -3.003 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.648 1.558 -2.828 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.317 1.805 -5.810 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.503 1.621 -4.496 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.509 0.485 -5.866 1.00 15.00 H new ATOM 243 N ILE A 15 58.488 -3.089 -4.887 1.00 15.00 N ATOM 244 CA ILE A 15 58.296 -4.056 -6.011 1.00 15.00 C ATOM 245 C ILE A 15 58.218 -3.278 -7.329 1.00 15.00 C ATOM 246 O ILE A 15 57.363 -2.426 -7.499 1.00 15.00 O ATOM 247 CB ILE A 15 56.968 -4.773 -5.712 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.068 -5.520 -4.376 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.660 -5.784 -6.824 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.663 -5.854 -3.869 1.00 15.00 C ATOM 0 H ILE A 15 57.673 -2.516 -4.669 1.00 15.00 H new ATOM 0 HA ILE A 15 59.113 -4.772 -6.101 1.00 15.00 H new ATOM 0 HB ILE A 15 56.173 -4.030 -5.659 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.647 -6.435 -4.502 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.594 -4.908 -3.644 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.719 -6.288 -6.607 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.580 -5.263 -7.778 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.462 -6.520 -6.879 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.735 -6.385 -2.920 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.099 -4.932 -3.727 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.153 -6.483 -4.598 1.00 15.00 H new ATOM 262 N SER A 16 59.102 -3.570 -8.253 1.00 15.00 N ATOM 263 CA SER A 16 59.210 -2.735 -9.491 1.00 15.00 C ATOM 264 C SER A 16 58.346 -3.313 -10.618 1.00 15.00 C ATOM 265 O SER A 16 57.792 -4.389 -10.502 1.00 15.00 O ATOM 266 CB SER A 16 60.690 -2.786 -9.873 1.00 15.00 C ATOM 267 OG SER A 16 61.400 -1.804 -9.128 1.00 15.00 O ATOM 0 H SER A 16 59.755 -4.352 -8.203 1.00 15.00 H new ATOM 0 HA SER A 16 58.860 -1.716 -9.325 1.00 15.00 H new ATOM 0 HB2 SER A 16 61.096 -3.777 -9.671 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.808 -2.605 -10.941 1.00 15.00 H new ATOM 0 HG SER A 16 62.350 -1.834 -9.368 1.00 15.00 H new ATOM 273 N LYS A 17 58.234 -2.595 -11.713 1.00 15.00 N ATOM 274 CA LYS A 17 57.373 -3.061 -12.854 1.00 15.00 C ATOM 275 C LYS A 17 57.848 -4.419 -13.400 1.00 15.00 C ATOM 276 O LYS A 17 57.101 -5.115 -14.064 1.00 15.00 O ATOM 277 CB LYS A 17 57.511 -1.981 -13.932 1.00 15.00 C ATOM 278 CG LYS A 17 56.476 -2.220 -15.034 1.00 15.00 C ATOM 279 CD LYS A 17 55.093 -1.791 -14.538 1.00 15.00 C ATOM 280 CE LYS A 17 54.075 -1.943 -15.670 1.00 15.00 C ATOM 281 NZ LYS A 17 52.760 -1.623 -15.048 1.00 15.00 N ATOM 0 H LYS A 17 58.703 -1.703 -11.867 1.00 15.00 H new ATOM 0 HA LYS A 17 56.340 -3.202 -12.536 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.368 -0.994 -13.492 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.516 -2.000 -14.353 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.744 -1.657 -15.928 1.00 15.00 H new ATOM 0 HG3 LYS A 17 56.463 -3.274 -15.313 1.00 15.00 H new ATOM 0 HD2 LYS A 17 54.796 -2.400 -13.684 1.00 15.00 H new ATOM 0 HD3 LYS A 17 55.122 -0.756 -14.197 1.00 15.00 H new ATOM 0 HE2 LYS A 17 54.297 -1.266 -16.495 1.00 15.00 H new ATOM 0 HE3 LYS A 17 54.084 -2.954 -16.077 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 52.009 -1.705 -15.763 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 52.573 -2.288 -14.271 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 52.779 -0.652 -14.676 1.00 15.00 H new ATOM 295 N ALA A 18 59.076 -4.800 -13.126 1.00 15.00 N ATOM 296 CA ALA A 18 59.599 -6.103 -13.653 1.00 15.00 C ATOM 297 C ALA A 18 59.304 -7.258 -12.682 1.00 15.00 C ATOM 298 O ALA A 18 59.876 -8.324 -12.800 1.00 15.00 O ATOM 299 CB ALA A 18 61.109 -5.897 -13.787 1.00 15.00 C ATOM 0 H ALA A 18 59.737 -4.266 -12.562 1.00 15.00 H new ATOM 0 HA ALA A 18 59.127 -6.370 -14.599 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.568 -6.809 -14.169 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.304 -5.076 -14.477 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.532 -5.659 -12.811 1.00 15.00 H new ATOM 305 N GLU A 19 58.417 -7.057 -11.722 1.00 15.00 N ATOM 306 CA GLU A 19 58.053 -8.147 -10.750 1.00 15.00 C ATOM 307 C GLU A 19 59.298 -8.652 -10.008 1.00 15.00 C ATOM 308 O GLU A 19 59.366 -9.798 -9.603 1.00 15.00 O ATOM 309 CB GLU A 19 57.415 -9.273 -11.579 1.00 15.00 C ATOM 310 CG GLU A 19 56.139 -8.761 -12.254 1.00 15.00 C ATOM 311 CD GLU A 19 55.053 -8.530 -11.199 1.00 15.00 C ATOM 312 OE1 GLU A 19 54.906 -9.377 -10.332 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.386 -7.511 -11.276 1.00 15.00 O ATOM 0 H GLU A 19 57.927 -6.175 -11.572 1.00 15.00 H new ATOM 0 HA GLU A 19 57.362 -7.782 -9.990 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.119 -9.626 -12.332 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.182 -10.123 -10.937 1.00 15.00 H new ATOM 0 HG2 GLU A 19 56.345 -7.833 -12.787 1.00 15.00 H new ATOM 0 HG3 GLU A 19 55.793 -9.483 -12.994 1.00 15.00 H new ATOM 320 N ILE A 20 60.278 -7.799 -9.830 1.00 15.00 N ATOM 321 CA ILE A 20 61.455 -8.157 -8.981 1.00 15.00 C ATOM 322 C ILE A 20 61.346 -7.421 -7.640 1.00 15.00 C ATOM 323 O ILE A 20 60.823 -6.322 -7.574 1.00 15.00 O ATOM 324 CB ILE A 20 62.691 -7.684 -9.766 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.760 -8.410 -11.114 1.00 15.00 C ATOM 326 CG2 ILE A 20 63.962 -7.994 -8.969 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.774 -7.709 -12.021 1.00 15.00 C ATOM 0 H ILE A 20 60.312 -6.865 -10.239 1.00 15.00 H new ATOM 0 HA ILE A 20 61.512 -9.225 -8.769 1.00 15.00 H new ATOM 0 HB ILE A 20 62.613 -6.609 -9.931 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.049 -9.450 -10.964 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.778 -8.417 -11.586 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.834 -7.657 -9.529 1.00 15.00 H new ATOM 0 HG22 ILE A 20 63.925 -7.477 -8.010 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.032 -9.068 -8.800 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.823 -8.226 -12.980 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.466 -6.676 -12.181 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.757 -7.726 -11.549 1.00 15.00 H new ATOM 339 N ARG A 21 61.833 -8.019 -6.580 1.00 15.00 N ATOM 340 CA ARG A 21 61.700 -7.391 -5.231 1.00 15.00 C ATOM 341 C ARG A 21 63.049 -6.836 -4.760 1.00 15.00 C ATOM 342 O ARG A 21 64.029 -7.555 -4.667 1.00 15.00 O ATOM 343 CB ARG A 21 61.238 -8.524 -4.314 1.00 15.00 C ATOM 344 CG ARG A 21 60.831 -7.949 -2.954 1.00 15.00 C ATOM 345 CD ARG A 21 60.442 -9.092 -2.011 1.00 15.00 C ATOM 346 NE ARG A 21 59.966 -8.427 -0.756 1.00 15.00 N ATOM 347 CZ ARG A 21 59.253 -9.081 0.141 1.00 15.00 C ATOM 348 NH1 ARG A 21 58.932 -10.344 -0.020 1.00 15.00 N ATOM 349 NH2 ARG A 21 58.860 -8.458 1.218 1.00 15.00 N ATOM 0 H ARG A 21 62.317 -8.917 -6.592 1.00 15.00 H new ATOM 0 HA ARG A 21 61.002 -6.554 -5.235 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.396 -9.050 -4.765 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.039 -9.253 -4.187 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.655 -7.377 -2.528 1.00 15.00 H new ATOM 0 HG3 ARG A 21 59.994 -7.261 -3.074 1.00 15.00 H new ATOM 0 HD2 ARG A 21 59.660 -9.713 -2.448 1.00 15.00 H new ATOM 0 HD3 ARG A 21 61.293 -9.744 -1.812 1.00 15.00 H new ATOM 0 HE ARG A 21 60.198 -7.447 -0.591 1.00 15.00 H new ATOM 0 HH11 ARG A 21 59.235 -10.845 -0.855 1.00 15.00 H new ATOM 0 HH12 ARG A 21 58.380 -10.824 0.690 1.00 15.00 H new ATOM 0 HH21 ARG A 21 59.105 -7.478 1.358 1.00 15.00 H new ATOM 0 HH22 ARG A 21 58.308 -8.951 1.920 1.00 15.00 H new ATOM 363 N TYR A 22 63.099 -5.560 -4.464 1.00 15.00 N ATOM 364 CA TYR A 22 64.348 -4.948 -3.918 1.00 15.00 C ATOM 365 C TYR A 22 64.113 -4.487 -2.477 1.00 15.00 C ATOM 366 O TYR A 22 63.084 -3.921 -2.167 1.00 15.00 O ATOM 367 CB TYR A 22 64.622 -3.735 -4.810 1.00 15.00 C ATOM 368 CG TYR A 22 65.010 -4.083 -6.228 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.377 -4.192 -6.580 1.00 15.00 C ATOM 370 CD2 TYR A 22 64.007 -4.286 -7.208 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.742 -4.505 -7.912 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.372 -4.601 -8.539 1.00 15.00 C ATOM 373 CZ TYR A 22 65.739 -4.709 -8.892 1.00 15.00 C ATOM 374 OH TYR A 22 66.094 -5.015 -10.190 1.00 15.00 O ATOM 0 H TYR A 22 62.320 -4.912 -4.579 1.00 15.00 H new ATOM 0 HA TYR A 22 65.181 -5.651 -3.911 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.732 -3.107 -4.833 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.419 -3.142 -4.362 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.141 -4.036 -5.833 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.964 -4.200 -6.940 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.785 -4.588 -8.181 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.608 -4.759 -9.285 1.00 15.00 H new ATOM 0 HH TYR A 22 65.286 -5.124 -10.733 1.00 15.00 H new ATOM 384 N GLU A 23 65.055 -4.726 -1.596 1.00 15.00 N ATOM 385 CA GLU A 23 64.938 -4.190 -0.203 1.00 15.00 C ATOM 386 C GLU A 23 66.113 -3.255 0.093 1.00 15.00 C ATOM 387 O GLU A 23 67.233 -3.518 -0.299 1.00 15.00 O ATOM 388 CB GLU A 23 64.986 -5.425 0.709 1.00 15.00 C ATOM 389 CG GLU A 23 63.562 -5.851 1.084 1.00 15.00 C ATOM 390 CD GLU A 23 63.097 -5.074 2.319 1.00 15.00 C ATOM 391 OE1 GLU A 23 62.478 -5.681 3.177 1.00 15.00 O ATOM 392 OE2 GLU A 23 63.366 -3.885 2.384 1.00 15.00 O ATOM 0 H GLU A 23 65.899 -5.268 -1.781 1.00 15.00 H new ATOM 0 HA GLU A 23 64.024 -3.616 -0.054 1.00 15.00 H new ATOM 0 HB2 GLU A 23 65.498 -6.243 0.202 1.00 15.00 H new ATOM 0 HB3 GLU A 23 65.557 -5.201 1.610 1.00 15.00 H new ATOM 0 HG2 GLU A 23 62.885 -5.665 0.250 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.534 -6.922 1.285 1.00 15.00 H new ATOM 399 N GLY A 24 65.859 -2.171 0.784 1.00 15.00 N ATOM 400 CA GLY A 24 66.953 -1.212 1.124 1.00 15.00 C ATOM 401 C GLY A 24 66.468 -0.264 2.219 1.00 15.00 C ATOM 402 O GLY A 24 65.351 -0.374 2.689 1.00 15.00 O ATOM 0 H GLY A 24 64.935 -1.909 1.129 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.836 -1.754 1.461 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.245 -0.646 0.239 1.00 15.00 H new ATOM 406 N ILE A 25 67.296 0.666 2.631 1.00 15.00 N ATOM 407 CA ILE A 25 66.880 1.616 3.712 1.00 15.00 C ATOM 408 C ILE A 25 66.634 3.003 3.114 1.00 15.00 C ATOM 409 O ILE A 25 67.420 3.495 2.325 1.00 15.00 O ATOM 410 CB ILE A 25 68.044 1.665 4.716 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.493 0.241 5.113 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.594 2.423 5.972 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.320 -0.555 5.702 1.00 15.00 C ATOM 0 H ILE A 25 68.238 0.808 2.267 1.00 15.00 H new ATOM 0 HA ILE A 25 65.958 1.295 4.197 1.00 15.00 H new ATOM 0 HB ILE A 25 68.886 2.174 4.247 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.888 -0.278 4.239 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.301 0.299 5.842 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.415 2.461 6.688 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.303 3.437 5.700 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.744 1.910 6.422 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.659 -1.554 5.974 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.943 -0.045 6.589 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.524 -0.631 4.962 1.00 15.00 H new ATOM 425 N LEU A 26 65.547 3.635 3.489 1.00 15.00 N ATOM 426 CA LEU A 26 65.198 4.972 2.900 1.00 15.00 C ATOM 427 C LEU A 26 66.287 6.000 3.218 1.00 15.00 C ATOM 428 O LEU A 26 66.499 6.348 4.365 1.00 15.00 O ATOM 429 CB LEU A 26 63.881 5.373 3.570 1.00 15.00 C ATOM 430 CG LEU A 26 63.213 6.486 2.763 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.535 5.888 1.530 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.163 7.182 3.633 1.00 15.00 C ATOM 0 H LEU A 26 64.883 3.283 4.179 1.00 15.00 H new ATOM 0 HA LEU A 26 65.111 4.927 1.814 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.218 4.510 3.637 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.068 5.711 4.589 1.00 15.00 H new ATOM 0 HG LEU A 26 63.966 7.209 2.448 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.059 6.682 0.955 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.281 5.389 0.911 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.781 5.166 1.844 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.685 7.977 3.060 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.411 6.457 3.946 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.644 7.608 4.513 1.00 15.00 H new ATOM 444 N TYR A 27 66.972 6.482 2.210 1.00 15.00 N ATOM 445 CA TYR A 27 68.059 7.480 2.445 1.00 15.00 C ATOM 446 C TYR A 27 67.527 8.903 2.256 1.00 15.00 C ATOM 447 O TYR A 27 67.691 9.751 3.115 1.00 15.00 O ATOM 448 CB TYR A 27 69.125 7.166 1.396 1.00 15.00 C ATOM 449 CG TYR A 27 70.377 7.998 1.549 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.076 7.999 2.781 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.847 8.780 0.466 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.246 8.783 2.930 1.00 15.00 C ATOM 453 CE2 TYR A 27 72.019 9.563 0.616 1.00 15.00 C ATOM 454 CZ TYR A 27 72.717 9.565 1.848 1.00 15.00 C ATOM 455 OH TYR A 27 73.858 10.328 1.994 1.00 15.00 O ATOM 0 H TYR A 27 66.824 6.226 1.234 1.00 15.00 H new ATOM 0 HA TYR A 27 68.455 7.421 3.459 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.388 6.110 1.460 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.707 7.330 0.403 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.717 7.402 3.606 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.313 8.780 -0.473 1.00 15.00 H new ATOM 0 HE1 TYR A 27 72.779 8.784 3.869 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.380 10.158 -0.210 1.00 15.00 H new ATOM 0 HH TYR A 27 74.044 10.803 1.157 1.00 15.00 H new ATOM 465 N THR A 28 66.891 9.168 1.141 1.00 15.00 N ATOM 466 CA THR A 28 66.388 10.551 0.870 1.00 15.00 C ATOM 467 C THR A 28 65.049 10.503 0.128 1.00 15.00 C ATOM 468 O THR A 28 64.823 9.645 -0.705 1.00 15.00 O ATOM 469 CB THR A 28 67.463 11.200 -0.006 1.00 15.00 C ATOM 470 OG1 THR A 28 67.804 10.319 -1.067 1.00 15.00 O ATOM 471 CG2 THR A 28 68.704 11.491 0.838 1.00 15.00 C ATOM 0 H THR A 28 66.698 8.486 0.407 1.00 15.00 H new ATOM 0 HA THR A 28 66.216 11.110 1.790 1.00 15.00 H new ATOM 0 HB THR A 28 67.081 12.134 -0.419 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.610 10.647 -1.518 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.469 11.953 0.213 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.441 12.168 1.650 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.089 10.559 1.253 1.00 15.00 H new ATOM 479 N ILE A 29 64.163 11.423 0.427 1.00 15.00 N ATOM 480 CA ILE A 29 62.827 11.447 -0.249 1.00 15.00 C ATOM 481 C ILE A 29 62.677 12.748 -1.049 1.00 15.00 C ATOM 482 O ILE A 29 62.816 13.831 -0.512 1.00 15.00 O ATOM 483 CB ILE A 29 61.791 11.388 0.887 1.00 15.00 C ATOM 484 CG1 ILE A 29 62.000 10.121 1.729 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.377 11.363 0.297 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.180 10.220 3.020 1.00 15.00 C ATOM 0 H ILE A 29 64.309 12.162 1.114 1.00 15.00 H new ATOM 0 HA ILE A 29 62.701 10.619 -0.947 1.00 15.00 H new ATOM 0 HB ILE A 29 61.915 12.268 1.517 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.698 9.241 1.161 1.00 15.00 H new ATOM 0 HG13 ILE A 29 63.057 10.000 1.966 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.646 11.321 1.105 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.213 12.264 -0.294 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.264 10.486 -0.340 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.330 9.320 3.616 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.503 11.091 3.590 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.123 10.320 2.773 1.00 15.00 H new ATOM 498 N ASP A 30 62.395 12.644 -2.326 1.00 15.00 N ATOM 499 CA ASP A 30 62.180 13.868 -3.157 1.00 15.00 C ATOM 500 C ASP A 30 60.715 13.951 -3.590 1.00 15.00 C ATOM 501 O ASP A 30 60.308 13.319 -4.548 1.00 15.00 O ATOM 502 CB ASP A 30 63.091 13.687 -4.372 1.00 15.00 C ATOM 503 CG ASP A 30 63.152 14.995 -5.163 1.00 15.00 C ATOM 504 OD1 ASP A 30 62.333 15.165 -6.052 1.00 15.00 O ATOM 505 OD2 ASP A 30 64.015 15.804 -4.867 1.00 15.00 O ATOM 0 H ASP A 30 62.305 11.761 -2.829 1.00 15.00 H new ATOM 0 HA ASP A 30 62.407 14.786 -2.615 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.091 13.397 -4.050 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.715 12.884 -5.005 1.00 15.00 H new ATOM 510 N THR A 31 59.924 14.726 -2.890 1.00 15.00 N ATOM 511 CA THR A 31 58.463 14.809 -3.213 1.00 15.00 C ATOM 512 C THR A 31 58.248 15.570 -4.525 1.00 15.00 C ATOM 513 O THR A 31 57.371 15.243 -5.301 1.00 15.00 O ATOM 514 CB THR A 31 57.829 15.568 -2.043 1.00 15.00 C ATOM 515 OG1 THR A 31 58.250 14.984 -0.819 1.00 15.00 O ATOM 516 CG2 THR A 31 56.305 15.494 -2.150 1.00 15.00 C ATOM 0 H THR A 31 60.226 15.306 -2.107 1.00 15.00 H new ATOM 0 HA THR A 31 58.020 13.822 -3.342 1.00 15.00 H new ATOM 0 HB THR A 31 58.142 16.612 -2.074 1.00 15.00 H new ATOM 0 HG1 THR A 31 57.847 15.469 -0.069 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.855 16.034 -1.317 1.00 15.00 H new ATOM 0 HG22 THR A 31 55.984 15.943 -3.090 1.00 15.00 H new ATOM 0 HG23 THR A 31 55.988 14.451 -2.120 1.00 15.00 H new ATOM 524 N GLU A 32 59.050 16.577 -4.780 1.00 15.00 N ATOM 525 CA GLU A 32 58.790 17.486 -5.947 1.00 15.00 C ATOM 526 C GLU A 32 58.773 16.700 -7.265 1.00 15.00 C ATOM 527 O GLU A 32 58.095 17.071 -8.206 1.00 15.00 O ATOM 528 CB GLU A 32 59.944 18.493 -5.942 1.00 15.00 C ATOM 529 CG GLU A 32 59.650 19.617 -6.938 1.00 15.00 C ATOM 530 CD GLU A 32 60.861 20.548 -7.033 1.00 15.00 C ATOM 531 OE1 GLU A 32 61.969 20.042 -7.113 1.00 15.00 O ATOM 532 OE2 GLU A 32 60.659 21.751 -7.024 1.00 15.00 O ATOM 0 H GLU A 32 59.876 16.811 -4.230 1.00 15.00 H new ATOM 0 HA GLU A 32 57.819 17.974 -5.864 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.076 18.905 -4.942 1.00 15.00 H new ATOM 0 HB3 GLU A 32 60.876 17.994 -6.206 1.00 15.00 H new ATOM 0 HG2 GLU A 32 59.423 19.198 -7.918 1.00 15.00 H new ATOM 0 HG3 GLU A 32 58.771 20.178 -6.620 1.00 15.00 H new ATOM 539 N ASN A 33 59.514 15.620 -7.338 1.00 15.00 N ATOM 540 CA ASN A 33 59.592 14.842 -8.618 1.00 15.00 C ATOM 541 C ASN A 33 59.012 13.427 -8.452 1.00 15.00 C ATOM 542 O ASN A 33 59.214 12.574 -9.297 1.00 15.00 O ATOM 543 CB ASN A 33 61.086 14.768 -8.942 1.00 15.00 C ATOM 544 CG ASN A 33 61.615 16.165 -9.280 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.891 16.999 -9.792 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.859 16.459 -9.015 1.00 15.00 N ATOM 0 H ASN A 33 60.068 15.243 -6.569 1.00 15.00 H new ATOM 0 HA ASN A 33 59.014 15.317 -9.410 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.632 14.359 -8.092 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.252 14.093 -9.782 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.222 17.386 -9.237 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.468 15.762 -8.586 1.00 15.00 H new ATOM 553 N SER A 34 58.290 13.166 -7.377 1.00 15.00 N ATOM 554 CA SER A 34 57.749 11.786 -7.116 1.00 15.00 C ATOM 555 C SER A 34 58.853 10.719 -7.248 1.00 15.00 C ATOM 556 O SER A 34 58.681 9.713 -7.915 1.00 15.00 O ATOM 557 CB SER A 34 56.658 11.575 -8.172 1.00 15.00 C ATOM 558 OG SER A 34 56.119 10.266 -8.034 1.00 15.00 O ATOM 0 H SER A 34 58.052 13.857 -6.665 1.00 15.00 H new ATOM 0 HA SER A 34 57.360 11.693 -6.102 1.00 15.00 H new ATOM 0 HB2 SER A 34 55.871 12.320 -8.053 1.00 15.00 H new ATOM 0 HB3 SER A 34 57.072 11.707 -9.171 1.00 15.00 H new ATOM 0 HG SER A 34 56.846 9.609 -8.058 1.00 15.00 H new ATOM 564 N THR A 35 59.981 10.937 -6.614 1.00 15.00 N ATOM 565 CA THR A 35 61.113 9.963 -6.725 1.00 15.00 C ATOM 566 C THR A 35 61.683 9.640 -5.340 1.00 15.00 C ATOM 567 O THR A 35 61.688 10.471 -4.450 1.00 15.00 O ATOM 568 CB THR A 35 62.166 10.671 -7.584 1.00 15.00 C ATOM 569 OG1 THR A 35 62.373 11.986 -7.088 1.00 15.00 O ATOM 570 CG2 THR A 35 61.695 10.741 -9.041 1.00 15.00 C ATOM 0 H THR A 35 60.166 11.748 -6.024 1.00 15.00 H new ATOM 0 HA THR A 35 60.795 9.017 -7.163 1.00 15.00 H new ATOM 0 HB THR A 35 63.100 10.111 -7.539 1.00 15.00 H new ATOM 0 HG1 THR A 35 63.047 12.440 -7.635 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.450 11.246 -9.644 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.541 9.732 -9.423 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.758 11.295 -9.094 1.00 15.00 H new ATOM 578 N VAL A 36 62.165 8.435 -5.159 1.00 15.00 N ATOM 579 CA VAL A 36 62.753 8.039 -3.839 1.00 15.00 C ATOM 580 C VAL A 36 64.144 7.429 -4.055 1.00 15.00 C ATOM 581 O VAL A 36 64.355 6.660 -4.975 1.00 15.00 O ATOM 582 CB VAL A 36 61.781 6.999 -3.258 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.277 6.531 -1.887 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.389 7.623 -3.096 1.00 15.00 C ATOM 0 H VAL A 36 62.177 7.705 -5.871 1.00 15.00 H new ATOM 0 HA VAL A 36 62.876 8.887 -3.165 1.00 15.00 H new ATOM 0 HB VAL A 36 61.728 6.149 -3.939 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.584 5.794 -1.481 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.264 6.081 -1.991 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.337 7.384 -1.211 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.704 6.882 -2.684 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.449 8.477 -2.421 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.023 7.954 -4.068 1.00 15.00 H new ATOM 594 N ALA A 37 65.088 7.769 -3.210 1.00 15.00 N ATOM 595 CA ALA A 37 66.463 7.193 -3.335 1.00 15.00 C ATOM 596 C ALA A 37 66.737 6.239 -2.168 1.00 15.00 C ATOM 597 O ALA A 37 66.597 6.607 -1.015 1.00 15.00 O ATOM 598 CB ALA A 37 67.414 8.396 -3.286 1.00 15.00 C ATOM 0 H ALA A 37 64.964 8.423 -2.437 1.00 15.00 H new ATOM 0 HA ALA A 37 66.589 6.621 -4.254 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.444 8.049 -3.372 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.188 9.072 -4.111 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.286 8.922 -2.340 1.00 15.00 H new ATOM 604 N LEU A 38 67.130 5.024 -2.468 1.00 15.00 N ATOM 605 CA LEU A 38 67.401 4.023 -1.393 1.00 15.00 C ATOM 606 C LEU A 38 68.876 3.619 -1.420 1.00 15.00 C ATOM 607 O LEU A 38 69.443 3.396 -2.474 1.00 15.00 O ATOM 608 CB LEU A 38 66.518 2.819 -1.734 1.00 15.00 C ATOM 609 CG LEU A 38 65.080 3.083 -1.284 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.143 2.092 -1.976 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.977 2.899 0.231 1.00 15.00 C ATOM 0 H LEU A 38 67.275 4.683 -3.418 1.00 15.00 H new ATOM 0 HA LEU A 38 67.187 4.416 -0.399 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.544 2.631 -2.807 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.903 1.925 -1.244 1.00 15.00 H new ATOM 0 HG LEU A 38 64.798 4.102 -1.548 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.117 2.278 -1.657 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.215 2.217 -3.056 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.428 1.074 -1.708 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.952 3.087 0.552 1.00 15.00 H new ATOM 0 HD22 LEU A 38 65.258 1.879 0.494 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.647 3.600 0.729 1.00 15.00 H new ATOM 623 N ALA A 39 69.497 3.524 -0.270 1.00 15.00 N ATOM 624 CA ALA A 39 70.936 3.127 -0.217 1.00 15.00 C ATOM 625 C ALA A 39 71.080 1.781 0.497 1.00 15.00 C ATOM 626 O ALA A 39 70.168 1.328 1.167 1.00 15.00 O ATOM 627 CB ALA A 39 71.626 4.235 0.579 1.00 15.00 C ATOM 0 H ALA A 39 69.067 3.705 0.637 1.00 15.00 H new ATOM 0 HA ALA A 39 71.372 3.011 -1.209 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.690 4.015 0.662 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.491 5.188 0.068 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.189 4.293 1.576 1.00 15.00 H new ATOM 633 N LYS A 40 72.221 1.137 0.357 1.00 15.00 N ATOM 634 CA LYS A 40 72.435 -0.218 0.976 1.00 15.00 C ATOM 635 C LYS A 40 71.292 -1.172 0.591 1.00 15.00 C ATOM 636 O LYS A 40 70.604 -1.713 1.439 1.00 15.00 O ATOM 637 CB LYS A 40 72.467 0.021 2.493 1.00 15.00 C ATOM 638 CG LYS A 40 73.698 0.858 2.853 1.00 15.00 C ATOM 639 CD LYS A 40 73.701 1.140 4.357 1.00 15.00 C ATOM 640 CE LYS A 40 74.062 -0.138 5.117 1.00 15.00 C ATOM 641 NZ LYS A 40 74.571 0.331 6.436 1.00 15.00 N ATOM 0 H LYS A 40 73.021 1.496 -0.165 1.00 15.00 H new ATOM 0 HA LYS A 40 73.358 -0.683 0.628 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.559 0.535 2.810 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.495 -0.932 3.021 1.00 15.00 H new ATOM 0 HG2 LYS A 40 74.607 0.328 2.570 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.689 1.795 2.296 1.00 15.00 H new ATOM 0 HD2 LYS A 40 74.418 1.928 4.588 1.00 15.00 H new ATOM 0 HD3 LYS A 40 72.721 1.498 4.672 1.00 15.00 H new ATOM 0 HE2 LYS A 40 73.193 -0.785 5.236 1.00 15.00 H new ATOM 0 HE3 LYS A 40 74.818 -0.714 4.584 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 74.840 -0.489 7.016 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 75.402 0.940 6.291 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 73.827 0.871 6.923 1.00 15.00 H new ATOM 655 N VAL A 41 71.093 -1.376 -0.689 1.00 15.00 N ATOM 656 CA VAL A 41 69.915 -2.171 -1.157 1.00 15.00 C ATOM 657 C VAL A 41 70.382 -3.404 -1.946 1.00 15.00 C ATOM 658 O VAL A 41 71.396 -3.375 -2.618 1.00 15.00 O ATOM 659 CB VAL A 41 69.105 -1.201 -2.040 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.922 -0.782 -3.270 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.807 -1.877 -2.498 1.00 15.00 C ATOM 0 H VAL A 41 71.698 -1.025 -1.432 1.00 15.00 H new ATOM 0 HA VAL A 41 69.312 -2.552 -0.333 1.00 15.00 H new ATOM 0 HB VAL A 41 68.870 -0.313 -1.453 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.334 -0.097 -3.881 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.837 -0.286 -2.947 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.176 -1.665 -3.856 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.238 -1.187 -3.122 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.046 -2.772 -3.072 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.213 -2.152 -1.627 1.00 15.00 H new ATOM 671 N ARG A 42 69.642 -4.481 -1.860 1.00 15.00 N ATOM 672 CA ARG A 42 70.001 -5.717 -2.619 1.00 15.00 C ATOM 673 C ARG A 42 68.760 -6.283 -3.315 1.00 15.00 C ATOM 674 O ARG A 42 67.650 -6.130 -2.837 1.00 15.00 O ATOM 675 CB ARG A 42 70.513 -6.701 -1.564 1.00 15.00 C ATOM 676 CG ARG A 42 71.818 -6.177 -0.957 1.00 15.00 C ATOM 677 CD ARG A 42 72.398 -7.231 -0.007 1.00 15.00 C ATOM 678 NE ARG A 42 73.227 -6.465 0.980 1.00 15.00 N ATOM 679 CZ ARG A 42 73.617 -7.009 2.116 1.00 15.00 C ATOM 680 NH1 ARG A 42 73.303 -8.244 2.435 1.00 15.00 N ATOM 681 NH2 ARG A 42 74.336 -6.302 2.946 1.00 15.00 N ATOM 0 H ARG A 42 68.798 -4.557 -1.292 1.00 15.00 H new ATOM 0 HA ARG A 42 70.746 -5.524 -3.391 1.00 15.00 H new ATOM 0 HB2 ARG A 42 69.765 -6.833 -0.783 1.00 15.00 H new ATOM 0 HB3 ARG A 42 70.678 -7.679 -2.015 1.00 15.00 H new ATOM 0 HG2 ARG A 42 72.534 -5.950 -1.747 1.00 15.00 H new ATOM 0 HG3 ARG A 42 71.634 -5.248 -0.418 1.00 15.00 H new ATOM 0 HD2 ARG A 42 71.605 -7.787 0.494 1.00 15.00 H new ATOM 0 HD3 ARG A 42 73.004 -7.957 -0.549 1.00 15.00 H new ATOM 0 HE ARG A 42 73.495 -5.504 0.768 1.00 15.00 H new ATOM 0 HH11 ARG A 42 72.743 -8.809 1.797 1.00 15.00 H new ATOM 0 HH12 ARG A 42 73.619 -8.638 3.321 1.00 15.00 H new ATOM 0 HH21 ARG A 42 74.589 -5.342 2.712 1.00 15.00 H new ATOM 0 HH22 ARG A 42 74.645 -6.710 3.828 1.00 15.00 H new ATOM 695 N SER A 43 68.941 -6.933 -4.439 1.00 15.00 N ATOM 696 CA SER A 43 67.787 -7.573 -5.140 1.00 15.00 C ATOM 697 C SER A 43 67.744 -9.068 -4.808 1.00 15.00 C ATOM 698 O SER A 43 68.744 -9.757 -4.895 1.00 15.00 O ATOM 699 CB SER A 43 68.058 -7.350 -6.630 1.00 15.00 C ATOM 700 OG SER A 43 69.139 -8.176 -7.045 1.00 15.00 O ATOM 0 H SER A 43 69.843 -7.048 -4.902 1.00 15.00 H new ATOM 0 HA SER A 43 66.826 -7.154 -4.840 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.166 -7.582 -7.211 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.295 -6.302 -6.814 1.00 15.00 H new ATOM 0 HG SER A 43 69.412 -8.755 -6.303 1.00 15.00 H new ATOM 706 N PHE A 44 66.594 -9.573 -4.428 1.00 15.00 N ATOM 707 CA PHE A 44 66.518 -10.992 -3.950 1.00 15.00 C ATOM 708 C PHE A 44 66.656 -11.966 -5.123 1.00 15.00 C ATOM 709 O PHE A 44 67.313 -12.985 -5.015 1.00 15.00 O ATOM 710 CB PHE A 44 65.137 -11.133 -3.308 1.00 15.00 C ATOM 711 CG PHE A 44 65.012 -10.426 -1.980 1.00 15.00 C ATOM 712 CD1 PHE A 44 65.789 -10.853 -0.876 1.00 15.00 C ATOM 713 CD2 PHE A 44 64.117 -9.339 -1.840 1.00 15.00 C ATOM 714 CE1 PHE A 44 65.670 -10.190 0.371 1.00 15.00 C ATOM 715 CE2 PHE A 44 63.999 -8.677 -0.595 1.00 15.00 C ATOM 716 CZ PHE A 44 64.776 -9.102 0.511 1.00 15.00 C ATOM 0 H PHE A 44 65.708 -9.067 -4.428 1.00 15.00 H new ATOM 0 HA PHE A 44 67.321 -11.222 -3.249 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.386 -10.738 -3.992 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.917 -12.191 -3.169 1.00 15.00 H new ATOM 0 HD1 PHE A 44 66.472 -11.683 -0.984 1.00 15.00 H new ATOM 0 HD2 PHE A 44 63.524 -9.015 -2.683 1.00 15.00 H new ATOM 0 HE1 PHE A 44 66.261 -10.515 1.214 1.00 15.00 H new ATOM 0 HE2 PHE A 44 63.316 -7.847 -0.488 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.686 -8.596 1.461 1.00 15.00 H new ATOM 984 N PHE A 62 74.214 -2.817 -3.948 1.00 15.00 N ATOM 985 CA PHE A 62 74.239 -1.482 -4.619 1.00 15.00 C ATOM 986 C PHE A 62 74.251 -0.366 -3.571 1.00 15.00 C ATOM 987 O PHE A 62 73.406 -0.320 -2.696 1.00 15.00 O ATOM 988 CB PHE A 62 72.955 -1.433 -5.444 1.00 15.00 C ATOM 989 CG PHE A 62 72.921 -2.442 -6.566 1.00 15.00 C ATOM 990 CD1 PHE A 62 72.340 -3.717 -6.355 1.00 15.00 C ATOM 991 CD2 PHE A 62 73.471 -2.115 -7.829 1.00 15.00 C ATOM 992 CE1 PHE A 62 72.309 -4.664 -7.408 1.00 15.00 C ATOM 993 CE2 PHE A 62 73.439 -3.063 -8.882 1.00 15.00 C ATOM 994 CZ PHE A 62 72.857 -4.336 -8.671 1.00 15.00 C ATOM 0 HA PHE A 62 75.126 -1.344 -5.238 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.103 -1.604 -4.786 1.00 15.00 H new ATOM 0 HB3 PHE A 62 72.839 -0.433 -5.862 1.00 15.00 H new ATOM 0 HD1 PHE A 62 71.921 -3.967 -5.391 1.00 15.00 H new ATOM 0 HD2 PHE A 62 73.915 -1.144 -7.990 1.00 15.00 H new ATOM 0 HE1 PHE A 62 71.867 -5.636 -7.247 1.00 15.00 H new ATOM 0 HE2 PHE A 62 73.859 -2.814 -9.846 1.00 15.00 H new ATOM 0 HZ PHE A 62 72.831 -5.057 -9.474 1.00 15.00 H new ATOM 1004 N GLU A 63 75.205 0.530 -3.659 1.00 15.00 N ATOM 1005 CA GLU A 63 75.305 1.634 -2.650 1.00 15.00 C ATOM 1006 C GLU A 63 74.125 2.602 -2.789 1.00 15.00 C ATOM 1007 O GLU A 63 73.563 3.044 -1.804 1.00 15.00 O ATOM 1008 CB GLU A 63 76.622 2.352 -2.962 1.00 15.00 C ATOM 1009 CG GLU A 63 77.797 1.419 -2.662 1.00 15.00 C ATOM 1010 CD GLU A 63 79.113 2.153 -2.928 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.459 2.306 -4.088 1.00 15.00 O ATOM 1012 OE2 GLU A 63 79.752 2.549 -1.967 1.00 15.00 O ATOM 0 H GLU A 63 75.920 0.545 -4.387 1.00 15.00 H new ATOM 0 HA GLU A 63 75.281 1.250 -1.630 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.643 2.656 -4.009 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.704 3.260 -2.365 1.00 15.00 H new ATOM 0 HG2 GLU A 63 77.756 1.088 -1.624 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.734 0.526 -3.284 1.00 15.00 H new ATOM 1019 N TYR A 64 73.750 2.934 -4.002 1.00 15.00 N ATOM 1020 CA TYR A 64 72.641 3.917 -4.206 1.00 15.00 C ATOM 1021 C TYR A 64 71.900 3.623 -5.514 1.00 15.00 C ATOM 1022 O TYR A 64 72.488 3.609 -6.579 1.00 15.00 O ATOM 1023 CB TYR A 64 73.337 5.277 -4.283 1.00 15.00 C ATOM 1024 CG TYR A 64 72.416 6.452 -4.032 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.310 6.689 -4.886 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.665 7.323 -2.943 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.458 7.794 -4.651 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.811 8.427 -2.709 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.708 8.662 -3.562 1.00 15.00 C ATOM 1030 OH TYR A 64 69.877 9.741 -3.334 1.00 15.00 O ATOM 0 H TYR A 64 74.165 2.566 -4.858 1.00 15.00 H new ATOM 0 HA TYR A 64 71.900 3.875 -3.408 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.148 5.301 -3.555 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.790 5.387 -5.268 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.117 6.026 -5.716 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.507 7.144 -2.291 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.616 7.975 -5.303 1.00 15.00 H new ATOM 0 HE2 TYR A 64 72.002 9.090 -1.878 1.00 15.00 H new ATOM 0 HH TYR A 64 69.506 10.054 -4.185 1.00 15.00 H new ATOM 1040 N ILE A 65 70.612 3.388 -5.435 1.00 15.00 N ATOM 1041 CA ILE A 65 69.785 3.257 -6.679 1.00 15.00 C ATOM 1042 C ILE A 65 68.553 4.164 -6.572 1.00 15.00 C ATOM 1043 O ILE A 65 67.992 4.341 -5.505 1.00 15.00 O ATOM 1044 CB ILE A 65 69.381 1.772 -6.758 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.646 0.905 -6.858 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.510 1.533 -8.001 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.284 -0.582 -6.745 1.00 15.00 C ATOM 0 H ILE A 65 70.096 3.281 -4.562 1.00 15.00 H new ATOM 0 HA ILE A 65 70.328 3.558 -7.575 1.00 15.00 H new ATOM 0 HB ILE A 65 68.817 1.507 -5.864 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.149 1.092 -7.806 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.345 1.177 -6.067 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.228 0.481 -8.051 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.612 2.147 -7.939 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.072 1.801 -8.896 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.190 -1.184 -6.818 1.00 15.00 H new ATOM 0 HD12 ILE A 65 69.801 -0.767 -5.785 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.603 -0.853 -7.552 1.00 15.00 H new ATOM 1059 N ILE A 66 68.133 4.737 -7.674 1.00 15.00 N ATOM 1060 CA ILE A 66 66.958 5.664 -7.652 1.00 15.00 C ATOM 1061 C ILE A 66 65.762 5.003 -8.349 1.00 15.00 C ATOM 1062 O ILE A 66 65.891 4.443 -9.423 1.00 15.00 O ATOM 1063 CB ILE A 66 67.413 6.917 -8.420 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.612 7.555 -7.709 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.272 7.939 -8.480 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.272 8.578 -8.637 1.00 15.00 C ATOM 0 H ILE A 66 68.556 4.602 -8.592 1.00 15.00 H new ATOM 0 HA ILE A 66 66.643 5.911 -6.638 1.00 15.00 H new ATOM 0 HB ILE A 66 67.695 6.623 -9.431 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.286 8.040 -6.789 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.332 6.787 -7.427 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.603 8.823 -9.025 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.415 7.498 -8.989 1.00 15.00 H new ATOM 0 HG23 ILE A 66 65.985 8.224 -7.468 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.124 9.031 -8.131 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.612 8.080 -9.545 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.550 9.352 -8.897 1.00 15.00 H new ATOM 1078 N PHE A 67 64.603 5.065 -7.739 1.00 15.00 N ATOM 1079 CA PHE A 67 63.374 4.509 -8.382 1.00 15.00 C ATOM 1080 C PHE A 67 62.300 5.596 -8.480 1.00 15.00 C ATOM 1081 O PHE A 67 62.130 6.391 -7.575 1.00 15.00 O ATOM 1082 CB PHE A 67 62.913 3.385 -7.456 1.00 15.00 C ATOM 1083 CG PHE A 67 63.837 2.188 -7.455 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.880 1.328 -8.580 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.656 1.926 -6.331 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.745 0.206 -8.579 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.521 0.804 -6.330 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.565 -0.056 -7.455 1.00 15.00 C ATOM 0 H PHE A 67 64.456 5.479 -6.819 1.00 15.00 H new ATOM 0 HA PHE A 67 63.562 4.149 -9.394 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.831 3.772 -6.440 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.915 3.064 -7.756 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.254 1.527 -9.437 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.622 2.582 -5.474 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.779 -0.450 -9.436 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.146 0.604 -5.472 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.224 -0.912 -7.455 1.00 15.00 H new ATOM 1098 N ARG A 68 61.578 5.634 -9.574 1.00 15.00 N ATOM 1099 CA ARG A 68 60.509 6.665 -9.741 1.00 15.00 C ATOM 1100 C ARG A 68 59.129 6.025 -9.563 1.00 15.00 C ATOM 1101 O ARG A 68 58.944 4.851 -9.820 1.00 15.00 O ATOM 1102 CB ARG A 68 60.677 7.190 -11.169 1.00 15.00 C ATOM 1103 CG ARG A 68 62.011 7.930 -11.292 1.00 15.00 C ATOM 1104 CD ARG A 68 62.124 8.555 -12.686 1.00 15.00 C ATOM 1105 NE ARG A 68 63.537 9.048 -12.787 1.00 15.00 N ATOM 1106 CZ ARG A 68 64.083 9.337 -13.953 1.00 15.00 C ATOM 1107 NH1 ARG A 68 63.414 9.214 -15.077 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.317 9.757 -13.990 1.00 15.00 N ATOM 0 H ARG A 68 61.684 4.993 -10.360 1.00 15.00 H new ATOM 0 HA ARG A 68 60.588 7.464 -9.004 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.642 6.362 -11.878 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.854 7.859 -11.420 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.081 8.704 -10.528 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.838 7.240 -11.123 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.907 7.823 -13.464 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.413 9.372 -12.809 1.00 15.00 H new ATOM 0 HE ARG A 68 64.088 9.162 -11.936 1.00 15.00 H new ATOM 0 HH11 ARG A 68 62.448 8.888 -15.062 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.861 9.445 -15.964 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.847 9.858 -13.125 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.752 9.984 -14.884 1.00 15.00 H new ATOM 1122 N GLY A 69 58.160 6.794 -9.123 1.00 15.00 N ATOM 1123 CA GLY A 69 56.784 6.240 -8.896 1.00 15.00 C ATOM 1124 C GLY A 69 56.235 5.600 -10.182 1.00 15.00 C ATOM 1125 O GLY A 69 55.401 4.715 -10.129 1.00 15.00 O ATOM 0 H GLY A 69 58.263 7.786 -8.910 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.813 5.498 -8.098 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.116 7.036 -8.567 1.00 15.00 H new ATOM 1129 N SER A 70 56.697 6.039 -11.330 1.00 15.00 N ATOM 1130 CA SER A 70 56.169 5.487 -12.621 1.00 15.00 C ATOM 1131 C SER A 70 56.554 4.011 -12.778 1.00 15.00 C ATOM 1132 O SER A 70 55.747 3.196 -13.187 1.00 15.00 O ATOM 1133 CB SER A 70 56.822 6.327 -13.721 1.00 15.00 C ATOM 1134 OG SER A 70 58.219 6.062 -13.748 1.00 15.00 O ATOM 0 H SER A 70 57.416 6.755 -11.429 1.00 15.00 H new ATOM 0 HA SER A 70 55.081 5.535 -12.663 1.00 15.00 H new ATOM 0 HB2 SER A 70 56.377 6.091 -14.687 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.645 7.387 -13.539 1.00 15.00 H new ATOM 0 HG SER A 70 58.640 6.597 -14.453 1.00 15.00 H new ATOM 1140 N ASP A 71 57.777 3.664 -12.458 1.00 15.00 N ATOM 1141 CA ASP A 71 58.237 2.249 -12.646 1.00 15.00 C ATOM 1142 C ASP A 71 57.851 1.388 -11.434 1.00 15.00 C ATOM 1143 O ASP A 71 57.592 0.206 -11.564 1.00 15.00 O ATOM 1144 CB ASP A 71 59.765 2.323 -12.808 1.00 15.00 C ATOM 1145 CG ASP A 71 60.414 2.908 -11.547 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.676 4.099 -11.539 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.638 2.153 -10.615 1.00 15.00 O ATOM 0 H ASP A 71 58.478 4.298 -12.075 1.00 15.00 H new ATOM 0 HA ASP A 71 57.770 1.786 -13.515 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.164 1.327 -13.001 1.00 15.00 H new ATOM 0 HB3 ASP A 71 60.015 2.939 -13.672 1.00 15.00 H new ATOM 1152 N ILE A 72 57.811 1.975 -10.262 1.00 15.00 N ATOM 1153 CA ILE A 72 57.444 1.195 -9.033 1.00 15.00 C ATOM 1154 C ILE A 72 55.981 0.744 -9.119 1.00 15.00 C ATOM 1155 O ILE A 72 55.126 1.471 -9.590 1.00 15.00 O ATOM 1156 CB ILE A 72 57.649 2.157 -7.848 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.117 2.598 -7.783 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.284 1.455 -6.535 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.242 3.817 -6.868 1.00 15.00 C ATOM 0 H ILE A 72 58.016 2.961 -10.101 1.00 15.00 H new ATOM 0 HA ILE A 72 58.053 0.298 -8.922 1.00 15.00 H new ATOM 0 HB ILE A 72 57.008 3.027 -7.990 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.737 1.783 -7.408 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.480 2.841 -8.782 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.432 2.142 -5.702 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.240 1.143 -6.567 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.920 0.580 -6.401 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.285 4.131 -6.821 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.635 4.632 -7.262 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.896 3.558 -5.867 1.00 15.00 H new ATOM 1171 N LYS A 73 55.694 -0.453 -8.668 1.00 15.00 N ATOM 1172 CA LYS A 73 54.293 -0.969 -8.720 1.00 15.00 C ATOM 1173 C LYS A 73 53.668 -0.944 -7.323 1.00 15.00 C ATOM 1174 O LYS A 73 52.522 -0.565 -7.156 1.00 15.00 O ATOM 1175 CB LYS A 73 54.420 -2.405 -9.227 1.00 15.00 C ATOM 1176 CG LYS A 73 53.030 -2.960 -9.547 1.00 15.00 C ATOM 1177 CD LYS A 73 53.153 -4.417 -10.000 1.00 15.00 C ATOM 1178 CE LYS A 73 51.786 -4.923 -10.466 1.00 15.00 C ATOM 1179 NZ LYS A 73 52.086 -6.114 -11.309 1.00 15.00 N ATOM 0 H LYS A 73 56.374 -1.097 -8.264 1.00 15.00 H new ATOM 0 HA LYS A 73 53.653 -0.365 -9.363 1.00 15.00 H new ATOM 0 HB2 LYS A 73 55.048 -2.433 -10.118 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.906 -3.026 -8.474 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.389 -2.894 -8.668 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.560 -2.364 -10.329 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.878 -4.497 -10.810 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.521 -5.034 -9.180 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.153 -5.188 -9.619 1.00 15.00 H new ATOM 0 HE3 LYS A 73 51.255 -4.160 -11.035 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 51.521 -6.923 -10.981 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 51.850 -5.906 -12.300 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 53.097 -6.346 -11.235 1.00 15.00 H new ATOM 1193 N ASP A 74 54.412 -1.346 -6.320 1.00 15.00 N ATOM 1194 CA ASP A 74 53.852 -1.385 -4.932 1.00 15.00 C ATOM 1195 C ASP A 74 54.931 -1.038 -3.901 1.00 15.00 C ATOM 1196 O ASP A 74 56.094 -1.339 -4.086 1.00 15.00 O ATOM 1197 CB ASP A 74 53.375 -2.825 -4.742 1.00 15.00 C ATOM 1198 CG ASP A 74 52.550 -2.926 -3.456 1.00 15.00 C ATOM 1199 OD1 ASP A 74 53.118 -3.293 -2.440 1.00 15.00 O ATOM 1200 OD2 ASP A 74 51.367 -2.635 -3.510 1.00 15.00 O ATOM 0 H ASP A 74 55.383 -1.649 -6.403 1.00 15.00 H new ATOM 0 HA ASP A 74 53.048 -0.662 -4.796 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.774 -3.136 -5.597 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.230 -3.499 -4.691 1.00 15.00 H new ATOM 1205 N LEU A 75 54.546 -0.406 -2.818 1.00 15.00 N ATOM 1206 CA LEU A 75 55.530 -0.056 -1.745 1.00 15.00 C ATOM 1207 C LEU A 75 55.001 -0.503 -0.378 1.00 15.00 C ATOM 1208 O LEU A 75 53.877 -0.208 -0.014 1.00 15.00 O ATOM 1209 CB LEU A 75 55.648 1.469 -1.802 1.00 15.00 C ATOM 1210 CG LEU A 75 56.867 1.923 -0.993 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.333 3.290 -1.496 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.488 2.031 0.486 1.00 15.00 C ATOM 0 H LEU A 75 53.586 -0.116 -2.630 1.00 15.00 H new ATOM 0 HA LEU A 75 56.493 -0.546 -1.889 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.743 1.798 -2.837 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.743 1.929 -1.404 1.00 15.00 H new ATOM 0 HG LEU A 75 57.671 1.196 -1.112 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.200 3.613 -0.920 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.603 3.217 -2.549 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.528 4.015 -1.377 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.356 2.354 1.061 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.684 2.757 0.603 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.154 1.059 0.848 1.00 15.00 H new ATOM 1224 N THR A 76 55.804 -1.214 0.379 1.00 15.00 N ATOM 1225 CA THR A 76 55.354 -1.689 1.727 1.00 15.00 C ATOM 1226 C THR A 76 56.441 -1.428 2.777 1.00 15.00 C ATOM 1227 O THR A 76 57.620 -1.512 2.493 1.00 15.00 O ATOM 1228 CB THR A 76 55.122 -3.191 1.557 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.303 -3.416 0.418 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.428 -3.747 2.803 1.00 15.00 C ATOM 0 H THR A 76 56.753 -1.486 0.121 1.00 15.00 H new ATOM 0 HA THR A 76 54.457 -1.171 2.068 1.00 15.00 H new ATOM 0 HB THR A 76 56.080 -3.693 1.422 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.155 -4.378 0.307 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.263 -4.817 2.681 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.056 -3.574 3.677 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.470 -3.246 2.940 1.00 15.00 H new