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 180:sc= -2.18! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.656 USER MOD Single : A 10 SER OG : rot 31:sc= 0.175 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -90:sc= 0.433 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -105:sc= 0 (180deg=-0.139) 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= 0.0013 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 16:sc= 0.278! USER MOD Single : A 70 SER OG : rot 180:sc= -0.206 USER MOD Single : A 73 LYS NZ :NH3+ -144:sc= 0.267 (180deg=0.0418) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.241 4.130 7.907 1.00 15.00 N ATOM 162 CA SER A 10 63.471 2.865 8.135 1.00 15.00 C ATOM 163 C SER A 10 63.696 1.886 6.978 1.00 15.00 C ATOM 164 O SER A 10 63.979 2.284 5.864 1.00 15.00 O ATOM 165 CB SER A 10 62.005 3.294 8.196 1.00 15.00 C ATOM 166 OG SER A 10 61.828 4.210 9.268 1.00 15.00 O ATOM 0 HA SER A 10 63.784 2.355 9.046 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.710 3.757 7.254 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.365 2.423 8.337 1.00 15.00 H new ATOM 0 HG SER A 10 62.649 4.730 9.393 1.00 15.00 H new ATOM 172 N LYS A 11 63.571 0.607 7.243 1.00 15.00 N ATOM 173 CA LYS A 11 63.761 -0.419 6.166 1.00 15.00 C ATOM 174 C LYS A 11 62.468 -0.597 5.362 1.00 15.00 C ATOM 175 O LYS A 11 61.406 -0.829 5.917 1.00 15.00 O ATOM 176 CB LYS A 11 64.115 -1.712 6.906 1.00 15.00 C ATOM 177 CG LYS A 11 64.661 -2.740 5.912 1.00 15.00 C ATOM 178 CD LYS A 11 65.004 -4.033 6.656 1.00 15.00 C ATOM 179 CE LYS A 11 65.944 -4.883 5.798 1.00 15.00 C ATOM 180 NZ LYS A 11 66.737 -5.681 6.775 1.00 15.00 N ATOM 0 H LYS A 11 63.345 0.227 8.162 1.00 15.00 H new ATOM 0 HA LYS A 11 64.536 -0.129 5.456 1.00 15.00 H new ATOM 0 HB2 LYS A 11 64.856 -1.509 7.679 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.232 -2.109 7.407 1.00 15.00 H new ATOM 0 HG2 LYS A 11 63.923 -2.939 5.135 1.00 15.00 H new ATOM 0 HG3 LYS A 11 65.548 -2.347 5.415 1.00 15.00 H new ATOM 0 HD2 LYS A 11 65.476 -3.801 7.611 1.00 15.00 H new ATOM 0 HD3 LYS A 11 64.094 -4.590 6.877 1.00 15.00 H new ATOM 0 HE2 LYS A 11 65.385 -5.529 5.121 1.00 15.00 H new ATOM 0 HE3 LYS A 11 66.590 -4.258 5.181 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 67.406 -6.291 6.263 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 67.263 -5.039 7.402 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 66.096 -6.271 7.343 1.00 15.00 H new ATOM 194 N ILE A 12 62.554 -0.493 4.057 1.00 15.00 N ATOM 195 CA ILE A 12 61.327 -0.589 3.205 1.00 15.00 C ATOM 196 C ILE A 12 61.567 -1.572 2.054 1.00 15.00 C ATOM 197 O ILE A 12 62.684 -1.751 1.599 1.00 15.00 O ATOM 198 CB ILE A 12 61.083 0.834 2.673 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.847 1.792 3.850 1.00 15.00 C ATOM 200 CG2 ILE A 12 59.847 0.845 1.763 1.00 15.00 C ATOM 201 CD1 ILE A 12 60.831 3.238 3.347 1.00 15.00 C ATOM 0 H ILE A 12 63.423 -0.345 3.545 1.00 15.00 H new ATOM 0 HA ILE A 12 60.464 -0.956 3.762 1.00 15.00 H new ATOM 0 HB ILE A 12 61.957 1.155 2.106 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.901 1.557 4.338 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.631 1.666 4.596 1.00 15.00 H new ATOM 0 HG21 ILE A 12 59.679 1.855 1.389 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.008 0.169 0.923 1.00 15.00 H new ATOM 0 HG23 ILE A 12 58.975 0.518 2.330 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.663 3.913 4.186 1.00 15.00 H new ATOM 0 HD12 ILE A 12 61.788 3.471 2.879 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.031 3.360 2.617 1.00 15.00 H new ATOM 213 N SER A 13 60.519 -2.206 1.587 1.00 15.00 N ATOM 214 CA SER A 13 60.637 -3.117 0.412 1.00 15.00 C ATOM 215 C SER A 13 59.817 -2.560 -0.753 1.00 15.00 C ATOM 216 O SER A 13 58.677 -2.165 -0.586 1.00 15.00 O ATOM 217 CB SER A 13 60.062 -4.452 0.885 1.00 15.00 C ATOM 218 OG SER A 13 60.235 -5.426 -0.136 1.00 15.00 O ATOM 0 H SER A 13 59.579 -2.129 1.975 1.00 15.00 H new ATOM 0 HA SER A 13 61.665 -3.222 0.064 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.562 -4.773 1.799 1.00 15.00 H new ATOM 0 HB3 SER A 13 59.004 -4.342 1.123 1.00 15.00 H new ATOM 0 HG SER A 13 59.453 -5.424 -0.726 1.00 15.00 H new ATOM 224 N LEU A 14 60.392 -2.528 -1.930 1.00 15.00 N ATOM 225 CA LEU A 14 59.687 -1.936 -3.106 1.00 15.00 C ATOM 226 C LEU A 14 59.553 -2.976 -4.220 1.00 15.00 C ATOM 227 O LEU A 14 60.487 -3.695 -4.522 1.00 15.00 O ATOM 228 CB LEU A 14 60.582 -0.782 -3.555 1.00 15.00 C ATOM 229 CG LEU A 14 59.756 0.227 -4.354 1.00 15.00 C ATOM 230 CD1 LEU A 14 58.837 0.998 -3.406 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.696 1.205 -5.061 1.00 15.00 C ATOM 0 H LEU A 14 61.325 -2.889 -2.126 1.00 15.00 H new ATOM 0 HA LEU A 14 58.678 -1.602 -2.862 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.028 -0.296 -2.688 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.402 -1.161 -4.165 1.00 15.00 H new ATOM 0 HG LEU A 14 59.154 -0.300 -5.094 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.248 1.717 -3.975 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.169 0.301 -2.900 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.438 1.526 -2.666 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.110 1.925 -5.631 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.297 1.732 -4.320 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.352 0.656 -5.736 1.00 15.00 H new ATOM 243 N ILE A 15 58.398 -3.057 -4.832 1.00 15.00 N ATOM 244 CA ILE A 15 58.199 -4.018 -5.961 1.00 15.00 C ATOM 245 C ILE A 15 58.109 -3.236 -7.274 1.00 15.00 C ATOM 246 O ILE A 15 57.276 -2.359 -7.421 1.00 15.00 O ATOM 247 CB ILE A 15 56.874 -4.739 -5.656 1.00 15.00 C ATOM 248 CG1 ILE A 15 56.980 -5.479 -4.316 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.568 -5.756 -6.762 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.587 -5.924 -3.865 1.00 15.00 C ATOM 0 H ILE A 15 57.580 -2.496 -4.597 1.00 15.00 H new ATOM 0 HA ILE A 15 59.018 -4.731 -6.060 1.00 15.00 H new ATOM 0 HB ILE A 15 56.075 -3.999 -5.606 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.634 -6.345 -4.418 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.426 -4.829 -3.564 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.629 -6.263 -6.540 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.485 -5.240 -7.718 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.373 -6.489 -6.815 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.663 -6.450 -2.913 1.00 15.00 H new ATOM 0 HD12 ILE A 15 54.946 -5.050 -3.747 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.158 -6.590 -4.614 1.00 15.00 H new ATOM 262 N SER A 16 58.961 -3.551 -8.222 1.00 15.00 N ATOM 263 CA SER A 16 59.045 -2.733 -9.472 1.00 15.00 C ATOM 264 C SER A 16 58.195 -3.350 -10.589 1.00 15.00 C ATOM 265 O SER A 16 57.715 -4.463 -10.478 1.00 15.00 O ATOM 266 CB SER A 16 60.526 -2.749 -9.854 1.00 15.00 C ATOM 267 OG SER A 16 61.216 -1.760 -9.102 1.00 15.00 O ATOM 0 H SER A 16 59.603 -4.342 -8.182 1.00 15.00 H new ATOM 0 HA SER A 16 58.668 -1.721 -9.321 1.00 15.00 H new ATOM 0 HB2 SER A 16 60.953 -3.733 -9.660 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.640 -2.557 -10.921 1.00 15.00 H new ATOM 0 HG SER A 16 62.166 -1.769 -9.343 1.00 15.00 H new ATOM 273 N LYS A 17 58.014 -2.627 -11.670 1.00 15.00 N ATOM 274 CA LYS A 17 57.154 -3.129 -12.797 1.00 15.00 C ATOM 275 C LYS A 17 57.700 -4.444 -13.381 1.00 15.00 C ATOM 276 O LYS A 17 56.987 -5.166 -14.055 1.00 15.00 O ATOM 277 CB LYS A 17 57.191 -2.023 -13.856 1.00 15.00 C ATOM 278 CG LYS A 17 56.137 -2.305 -14.930 1.00 15.00 C ATOM 279 CD LYS A 17 54.747 -1.979 -14.380 1.00 15.00 C ATOM 280 CE LYS A 17 53.708 -2.136 -15.491 1.00 15.00 C ATOM 281 NZ LYS A 17 53.784 -0.867 -16.269 1.00 15.00 N ATOM 0 H LYS A 17 58.426 -1.706 -11.823 1.00 15.00 H new ATOM 0 HA LYS A 17 56.142 -3.343 -12.455 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.002 -1.055 -13.392 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.181 -1.972 -14.309 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.338 -1.706 -15.818 1.00 15.00 H new ATOM 0 HG3 LYS A 17 56.183 -3.351 -15.234 1.00 15.00 H new ATOM 0 HD2 LYS A 17 54.509 -2.642 -13.549 1.00 15.00 H new ATOM 0 HD3 LYS A 17 54.728 -0.961 -13.991 1.00 15.00 H new ATOM 0 HE2 LYS A 17 53.929 -2.999 -16.120 1.00 15.00 H new ATOM 0 HE3 LYS A 17 52.710 -2.288 -15.080 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 52.961 -0.272 -16.044 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 54.657 -0.359 -16.020 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 53.787 -1.083 -17.286 1.00 15.00 H new ATOM 295 N ALA A 18 58.952 -4.761 -13.133 1.00 15.00 N ATOM 296 CA ALA A 18 59.543 -6.013 -13.707 1.00 15.00 C ATOM 297 C ALA A 18 59.358 -7.205 -12.754 1.00 15.00 C ATOM 298 O ALA A 18 60.030 -8.210 -12.884 1.00 15.00 O ATOM 299 CB ALA A 18 61.030 -5.702 -13.883 1.00 15.00 C ATOM 0 H ALA A 18 59.588 -4.207 -12.559 1.00 15.00 H new ATOM 0 HA ALA A 18 59.060 -6.291 -14.644 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.537 -6.572 -14.301 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.147 -4.855 -14.559 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.468 -5.457 -12.915 1.00 15.00 H new ATOM 305 N GLU A 19 58.453 -7.103 -11.796 1.00 15.00 N ATOM 306 CA GLU A 19 58.169 -8.248 -10.860 1.00 15.00 C ATOM 307 C GLU A 19 59.441 -8.671 -10.113 1.00 15.00 C ATOM 308 O GLU A 19 59.586 -9.814 -9.719 1.00 15.00 O ATOM 309 CB GLU A 19 57.639 -9.399 -11.730 1.00 15.00 C ATOM 310 CG GLU A 19 56.319 -8.985 -12.386 1.00 15.00 C ATOM 311 CD GLU A 19 55.217 -8.907 -11.324 1.00 15.00 C ATOM 312 OE1 GLU A 19 54.461 -7.949 -11.354 1.00 15.00 O ATOM 313 OE2 GLU A 19 55.149 -9.805 -10.501 1.00 15.00 O ATOM 0 H GLU A 19 57.895 -6.267 -11.623 1.00 15.00 H new ATOM 0 HA GLU A 19 57.441 -7.962 -10.101 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.371 -9.656 -12.495 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.489 -10.290 -11.120 1.00 15.00 H new ATOM 0 HG2 GLU A 19 56.433 -8.019 -12.877 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.044 -9.704 -13.157 1.00 15.00 H new ATOM 320 N ILE A 20 60.359 -7.754 -9.921 1.00 15.00 N ATOM 321 CA ILE A 20 61.547 -8.037 -9.059 1.00 15.00 C ATOM 322 C ILE A 20 61.373 -7.318 -7.715 1.00 15.00 C ATOM 323 O ILE A 20 60.803 -6.242 -7.652 1.00 15.00 O ATOM 324 CB ILE A 20 62.756 -7.480 -9.826 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.898 -8.206 -11.169 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.035 -7.694 -9.008 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.866 -7.433 -12.067 1.00 15.00 C ATOM 0 H ILE A 20 60.335 -6.818 -10.327 1.00 15.00 H new ATOM 0 HA ILE A 20 61.673 -9.099 -8.851 1.00 15.00 H new ATOM 0 HB ILE A 20 62.603 -6.414 -9.997 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.264 -9.220 -11.009 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.925 -8.291 -11.653 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.889 -7.297 -9.557 1.00 15.00 H new ATOM 0 HG22 ILE A 20 63.946 -7.178 -8.052 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.180 -8.760 -8.832 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.967 -7.949 -13.022 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.481 -6.428 -12.237 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.841 -7.371 -11.583 1.00 15.00 H new ATOM 339 N ARG A 21 61.857 -7.906 -6.649 1.00 15.00 N ATOM 340 CA ARG A 21 61.699 -7.277 -5.303 1.00 15.00 C ATOM 341 C ARG A 21 63.033 -6.690 -4.830 1.00 15.00 C ATOM 342 O ARG A 21 64.015 -7.395 -4.696 1.00 15.00 O ATOM 343 CB ARG A 21 61.258 -8.418 -4.384 1.00 15.00 C ATOM 344 CG ARG A 21 60.793 -7.844 -3.044 1.00 15.00 C ATOM 345 CD ARG A 21 60.339 -8.986 -2.130 1.00 15.00 C ATOM 346 NE ARG A 21 59.741 -8.319 -0.928 1.00 15.00 N ATOM 347 CZ ARG A 21 58.950 -8.975 -0.100 1.00 15.00 C ATOM 348 NH1 ARG A 21 58.658 -10.243 -0.283 1.00 15.00 N ATOM 349 NH2 ARG A 21 58.448 -8.349 0.929 1.00 15.00 N ATOM 0 H ARG A 21 62.355 -8.796 -6.654 1.00 15.00 H new ATOM 0 HA ARG A 21 60.980 -6.458 -5.312 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.450 -8.983 -4.850 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.083 -9.113 -4.227 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.604 -7.288 -2.574 1.00 15.00 H new ATOM 0 HG3 ARG A 21 59.974 -7.142 -3.201 1.00 15.00 H new ATOM 0 HD2 ARG A 21 59.609 -9.623 -2.630 1.00 15.00 H new ATOM 0 HD3 ARG A 21 61.178 -9.622 -1.850 1.00 15.00 H new ATOM 0 HE ARG A 21 59.950 -7.337 -0.746 1.00 15.00 H new ATOM 0 HH11 ARG A 21 59.046 -10.746 -1.081 1.00 15.00 H new ATOM 0 HH12 ARG A 21 58.044 -10.725 0.373 1.00 15.00 H new ATOM 0 HH21 ARG A 21 58.669 -7.365 1.085 1.00 15.00 H new ATOM 0 HH22 ARG A 21 57.835 -8.843 1.577 1.00 15.00 H new ATOM 363 N TYR A 22 63.065 -5.405 -4.578 1.00 15.00 N ATOM 364 CA TYR A 22 64.309 -4.762 -4.055 1.00 15.00 C ATOM 365 C TYR A 22 64.095 -4.323 -2.605 1.00 15.00 C ATOM 366 O TYR A 22 63.093 -3.715 -2.282 1.00 15.00 O ATOM 367 CB TYR A 22 64.529 -3.536 -4.943 1.00 15.00 C ATOM 368 CG TYR A 22 64.941 -3.866 -6.358 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.310 -4.049 -6.673 1.00 15.00 C ATOM 370 CD2 TYR A 22 63.959 -3.984 -7.372 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.696 -4.350 -8.002 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.345 -4.285 -8.701 1.00 15.00 C ATOM 373 CZ TYR A 22 65.713 -4.466 -9.016 1.00 15.00 C ATOM 374 OH TYR A 22 66.089 -4.760 -10.311 1.00 15.00 O ATOM 0 H TYR A 22 62.278 -4.770 -4.713 1.00 15.00 H new ATOM 0 HA TYR A 22 65.162 -5.440 -4.073 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.610 -2.951 -4.971 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.295 -2.906 -4.491 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.059 -3.959 -5.900 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.915 -3.844 -7.132 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.739 -4.491 -8.243 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.596 -4.376 -9.474 1.00 15.00 H new ATOM 0 HH TYR A 22 65.293 -4.805 -10.881 1.00 15.00 H new ATOM 384 N GLU A 23 65.024 -4.624 -1.732 1.00 15.00 N ATOM 385 CA GLU A 23 64.912 -4.148 -0.319 1.00 15.00 C ATOM 386 C GLU A 23 66.098 -3.245 0.019 1.00 15.00 C ATOM 387 O GLU A 23 67.215 -3.506 -0.382 1.00 15.00 O ATOM 388 CB GLU A 23 64.944 -5.421 0.529 1.00 15.00 C ATOM 389 CG GLU A 23 64.604 -5.078 1.981 1.00 15.00 C ATOM 390 CD GLU A 23 64.669 -6.347 2.834 1.00 15.00 C ATOM 391 OE1 GLU A 23 65.620 -7.096 2.677 1.00 15.00 O ATOM 392 OE2 GLU A 23 63.767 -6.547 3.630 1.00 15.00 O ATOM 0 H GLU A 23 65.855 -5.179 -1.937 1.00 15.00 H new ATOM 0 HA GLU A 23 64.007 -3.567 -0.143 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.231 -6.148 0.140 1.00 15.00 H new ATOM 0 HB3 GLU A 23 65.930 -5.882 0.475 1.00 15.00 H new ATOM 0 HG2 GLU A 23 65.303 -4.334 2.363 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.608 -4.639 2.038 1.00 15.00 H new ATOM 399 N GLY A 24 65.859 -2.189 0.757 1.00 15.00 N ATOM 400 CA GLY A 24 66.962 -1.246 1.112 1.00 15.00 C ATOM 401 C GLY A 24 66.477 -0.294 2.204 1.00 15.00 C ATOM 402 O GLY A 24 65.352 -0.390 2.660 1.00 15.00 O ATOM 0 H GLY A 24 64.943 -1.939 1.130 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.834 -1.801 1.458 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.272 -0.682 0.232 1.00 15.00 H new ATOM 406 N ILE A 25 67.311 0.625 2.626 1.00 15.00 N ATOM 407 CA ILE A 25 66.894 1.579 3.701 1.00 15.00 C ATOM 408 C ILE A 25 66.617 2.955 3.090 1.00 15.00 C ATOM 409 O ILE A 25 67.404 3.467 2.315 1.00 15.00 O ATOM 410 CB ILE A 25 68.072 1.652 4.690 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.501 0.235 5.138 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.654 2.468 5.920 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.325 -0.511 5.785 1.00 15.00 C ATOM 0 H ILE A 25 68.259 0.756 2.274 1.00 15.00 H new ATOM 0 HA ILE A 25 65.983 1.253 4.203 1.00 15.00 H new ATOM 0 HB ILE A 25 68.915 2.131 4.192 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.866 -0.328 4.279 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.326 0.307 5.847 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.487 2.521 6.622 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.375 3.475 5.611 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.803 1.988 6.403 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.650 -1.505 6.092 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.978 0.043 6.657 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.511 -0.601 5.065 1.00 15.00 H new ATOM 425 N LEU A 26 65.504 3.554 3.438 1.00 15.00 N ATOM 426 CA LEU A 26 65.113 4.866 2.821 1.00 15.00 C ATOM 427 C LEU A 26 66.152 5.942 3.150 1.00 15.00 C ATOM 428 O LEU A 26 66.275 6.363 4.284 1.00 15.00 O ATOM 429 CB LEU A 26 63.765 5.220 3.451 1.00 15.00 C ATOM 430 CG LEU A 26 63.129 6.382 2.686 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.634 5.890 1.326 1.00 15.00 C ATOM 432 CD2 LEU A 26 61.948 6.930 3.489 1.00 15.00 C ATOM 0 H LEU A 26 64.845 3.191 4.126 1.00 15.00 H new ATOM 0 HA LEU A 26 65.053 4.803 1.734 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.104 4.353 3.431 1.00 15.00 H new ATOM 0 HB3 LEU A 26 63.902 5.492 4.498 1.00 15.00 H new ATOM 0 HG LEU A 26 63.869 7.169 2.539 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.181 6.719 0.782 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.474 5.496 0.754 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.893 5.103 1.471 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.492 7.758 2.947 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.210 6.141 3.634 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.299 7.281 4.459 1.00 15.00 H new ATOM 444 N TYR A 27 66.894 6.386 2.164 1.00 15.00 N ATOM 445 CA TYR A 27 67.964 7.396 2.420 1.00 15.00 C ATOM 446 C TYR A 27 67.414 8.815 2.247 1.00 15.00 C ATOM 447 O TYR A 27 67.561 9.652 3.119 1.00 15.00 O ATOM 448 CB TYR A 27 69.045 7.110 1.376 1.00 15.00 C ATOM 449 CG TYR A 27 70.279 7.963 1.543 1.00 15.00 C ATOM 450 CD1 TYR A 27 70.993 7.943 2.765 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.721 8.785 0.478 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.149 8.745 2.925 1.00 15.00 C ATOM 453 CE2 TYR A 27 71.879 9.587 0.637 1.00 15.00 C ATOM 454 CZ TYR A 27 72.592 9.567 1.861 1.00 15.00 C ATOM 455 OH TYR A 27 73.719 10.348 2.016 1.00 15.00 O ATOM 0 H TYR A 27 66.803 6.091 1.192 1.00 15.00 H new ATOM 0 HA TYR A 27 68.352 7.330 3.436 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.328 6.059 1.435 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.631 7.273 0.381 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.656 7.315 3.576 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.176 8.801 -0.454 1.00 15.00 H new ATOM 0 HE1 TYR A 27 72.692 8.730 3.858 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.218 10.213 -0.175 1.00 15.00 H new ATOM 0 HH TYR A 27 73.885 10.850 1.191 1.00 15.00 H new ATOM 465 N THR A 28 66.784 9.089 1.129 1.00 15.00 N ATOM 466 CA THR A 28 66.254 10.467 0.883 1.00 15.00 C ATOM 467 C THR A 28 64.936 10.406 0.108 1.00 15.00 C ATOM 468 O THR A 28 64.753 9.571 -0.757 1.00 15.00 O ATOM 469 CB THR A 28 67.331 11.173 0.053 1.00 15.00 C ATOM 470 OG1 THR A 28 67.708 10.349 -1.044 1.00 15.00 O ATOM 471 CG2 THR A 28 68.550 11.461 0.933 1.00 15.00 C ATOM 0 H THR A 28 66.615 8.419 0.378 1.00 15.00 H new ATOM 0 HA THR A 28 66.048 10.994 1.815 1.00 15.00 H new ATOM 0 HB THR A 28 66.935 12.114 -0.329 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.396 10.804 -1.574 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.315 11.963 0.341 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.255 12.102 1.764 1.00 15.00 H new ATOM 0 HG23 THR A 28 68.948 10.523 1.321 1.00 15.00 H new ATOM 479 N ILE A 29 64.019 11.293 0.415 1.00 15.00 N ATOM 480 CA ILE A 29 62.698 11.302 -0.290 1.00 15.00 C ATOM 481 C ILE A 29 62.540 12.615 -1.068 1.00 15.00 C ATOM 482 O ILE A 29 62.665 13.690 -0.512 1.00 15.00 O ATOM 483 CB ILE A 29 61.640 11.203 0.824 1.00 15.00 C ATOM 484 CG1 ILE A 29 61.857 9.927 1.650 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.239 11.159 0.204 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.017 9.996 2.929 1.00 15.00 C ATOM 0 H ILE A 29 64.130 12.015 1.127 1.00 15.00 H new ATOM 0 HA ILE A 29 62.602 10.485 -1.005 1.00 15.00 H new ATOM 0 HB ILE A 29 61.734 12.075 1.471 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.577 9.051 1.065 1.00 15.00 H new ATOM 0 HG13 ILE A 29 62.912 9.819 1.901 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.493 11.089 0.996 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.069 12.066 -0.376 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.157 10.290 -0.449 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.171 9.090 3.515 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.319 10.864 3.516 1.00 15.00 H new ATOM 0 HD13 ILE A 29 59.962 10.084 2.667 1.00 15.00 H new ATOM 498 N ASP A 30 62.266 12.530 -2.349 1.00 15.00 N ATOM 499 CA ASP A 30 62.049 13.767 -3.161 1.00 15.00 C ATOM 500 C ASP A 30 60.585 13.848 -3.601 1.00 15.00 C ATOM 501 O ASP A 30 60.196 13.261 -4.594 1.00 15.00 O ATOM 502 CB ASP A 30 62.970 13.613 -4.372 1.00 15.00 C ATOM 503 CG ASP A 30 63.092 14.957 -5.093 1.00 15.00 C ATOM 504 OD1 ASP A 30 64.015 15.691 -4.783 1.00 15.00 O ATOM 505 OD2 ASP A 30 62.260 15.229 -5.943 1.00 15.00 O ATOM 0 H ASP A 30 62.184 11.655 -2.866 1.00 15.00 H new ATOM 0 HA ASP A 30 62.266 14.678 -2.603 1.00 15.00 H new ATOM 0 HB2 ASP A 30 63.954 13.269 -4.053 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.573 12.858 -5.051 1.00 15.00 H new ATOM 510 N THR A 31 59.776 14.573 -2.866 1.00 15.00 N ATOM 511 CA THR A 31 58.317 14.648 -3.196 1.00 15.00 C ATOM 512 C THR A 31 58.102 15.445 -4.486 1.00 15.00 C ATOM 513 O THR A 31 57.248 15.118 -5.288 1.00 15.00 O ATOM 514 CB THR A 31 57.668 15.365 -2.008 1.00 15.00 C ATOM 515 OG1 THR A 31 58.086 14.748 -0.799 1.00 15.00 O ATOM 516 CG2 THR A 31 56.145 15.280 -2.127 1.00 15.00 C ATOM 0 H THR A 31 60.063 15.116 -2.052 1.00 15.00 H new ATOM 0 HA THR A 31 57.885 13.660 -3.358 1.00 15.00 H new ATOM 0 HB THR A 31 57.971 16.412 -2.006 1.00 15.00 H new ATOM 0 HG1 THR A 31 57.673 15.207 -0.038 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.685 15.791 -1.281 1.00 15.00 H new ATOM 0 HG22 THR A 31 55.825 15.755 -3.055 1.00 15.00 H new ATOM 0 HG23 THR A 31 55.838 14.234 -2.130 1.00 15.00 H new ATOM 524 N GLU A 32 58.879 16.480 -4.693 1.00 15.00 N ATOM 525 CA GLU A 32 58.615 17.417 -5.838 1.00 15.00 C ATOM 526 C GLU A 32 58.654 16.673 -7.181 1.00 15.00 C ATOM 527 O GLU A 32 57.985 17.053 -8.124 1.00 15.00 O ATOM 528 CB GLU A 32 59.736 18.460 -5.775 1.00 15.00 C ATOM 529 CG GLU A 32 59.424 19.607 -6.739 1.00 15.00 C ATOM 530 CD GLU A 32 60.603 20.581 -6.775 1.00 15.00 C ATOM 531 OE1 GLU A 32 60.360 21.776 -6.727 1.00 15.00 O ATOM 532 OE2 GLU A 32 61.729 20.117 -6.849 1.00 15.00 O ATOM 0 H GLU A 32 59.687 16.720 -4.119 1.00 15.00 H new ATOM 0 HA GLU A 32 57.626 17.870 -5.762 1.00 15.00 H new ATOM 0 HB2 GLU A 32 59.834 18.842 -4.759 1.00 15.00 H new ATOM 0 HB3 GLU A 32 60.689 18.001 -6.037 1.00 15.00 H new ATOM 0 HG2 GLU A 32 59.233 19.214 -7.738 1.00 15.00 H new ATOM 0 HG3 GLU A 32 58.520 20.126 -6.422 1.00 15.00 H new ATOM 539 N ASN A 33 59.431 15.620 -7.269 1.00 15.00 N ATOM 540 CA ASN A 33 59.564 14.886 -8.570 1.00 15.00 C ATOM 541 C ASN A 33 59.007 13.457 -8.472 1.00 15.00 C ATOM 542 O ASN A 33 59.252 12.638 -9.337 1.00 15.00 O ATOM 543 CB ASN A 33 61.069 14.850 -8.848 1.00 15.00 C ATOM 544 CG ASN A 33 61.582 16.269 -9.121 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.860 17.105 -9.629 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.811 16.574 -8.807 1.00 15.00 N ATOM 0 H ASN A 33 59.978 15.237 -6.498 1.00 15.00 H new ATOM 0 HA ASN A 33 59.001 15.377 -9.364 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.595 14.421 -7.995 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.274 14.208 -9.705 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.165 17.513 -8.988 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.417 15.873 -8.381 1.00 15.00 H new ATOM 553 N SER A 34 58.256 13.147 -7.429 1.00 15.00 N ATOM 554 CA SER A 34 57.728 11.749 -7.235 1.00 15.00 C ATOM 555 C SER A 34 58.851 10.704 -7.372 1.00 15.00 C ATOM 556 O SER A 34 58.701 9.702 -8.050 1.00 15.00 O ATOM 557 CB SER A 34 56.674 11.561 -8.332 1.00 15.00 C ATOM 558 OG SER A 34 55.458 12.175 -7.924 1.00 15.00 O ATOM 0 H SER A 34 57.986 13.808 -6.701 1.00 15.00 H new ATOM 0 HA SER A 34 57.309 11.614 -6.238 1.00 15.00 H new ATOM 0 HB2 SER A 34 57.022 12.002 -9.266 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.514 10.499 -8.521 1.00 15.00 H new ATOM 0 HG SER A 34 54.782 12.058 -8.624 1.00 15.00 H new ATOM 564 N THR A 35 59.972 10.934 -6.729 1.00 15.00 N ATOM 565 CA THR A 35 61.123 9.983 -6.846 1.00 15.00 C ATOM 566 C THR A 35 61.683 9.643 -5.461 1.00 15.00 C ATOM 567 O THR A 35 61.627 10.441 -4.544 1.00 15.00 O ATOM 568 CB THR A 35 62.174 10.720 -7.682 1.00 15.00 C ATOM 569 OG1 THR A 35 62.316 12.049 -7.199 1.00 15.00 O ATOM 570 CG2 THR A 35 61.746 10.752 -9.153 1.00 15.00 C ATOM 0 H THR A 35 60.139 11.741 -6.127 1.00 15.00 H new ATOM 0 HA THR A 35 60.825 9.041 -7.306 1.00 15.00 H new ATOM 0 HB THR A 35 63.127 10.197 -7.600 1.00 15.00 H new ATOM 0 HG1 THR A 35 62.989 12.521 -7.732 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.499 11.278 -9.740 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.644 9.732 -9.524 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.790 11.269 -9.243 1.00 15.00 H new ATOM 578 N VAL A 36 62.225 8.459 -5.311 1.00 15.00 N ATOM 579 CA VAL A 36 62.796 8.045 -3.990 1.00 15.00 C ATOM 580 C VAL A 36 64.191 7.441 -4.198 1.00 15.00 C ATOM 581 O VAL A 36 64.420 6.704 -5.140 1.00 15.00 O ATOM 582 CB VAL A 36 61.818 6.995 -3.441 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.302 6.492 -2.078 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.427 7.619 -3.274 1.00 15.00 C ATOM 0 H VAL A 36 62.297 7.759 -6.049 1.00 15.00 H new ATOM 0 HA VAL A 36 62.910 8.881 -3.300 1.00 15.00 H new ATOM 0 HB VAL A 36 61.768 6.162 -4.142 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.603 5.748 -1.696 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.289 6.041 -2.186 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.359 7.328 -1.381 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.737 6.871 -2.884 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.485 8.456 -2.578 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.069 7.974 -4.240 1.00 15.00 H new ATOM 594 N ALA A 37 65.119 7.750 -3.323 1.00 15.00 N ATOM 595 CA ALA A 37 66.493 7.166 -3.438 1.00 15.00 C ATOM 596 C ALA A 37 66.758 6.219 -2.265 1.00 15.00 C ATOM 597 O ALA A 37 66.583 6.583 -1.115 1.00 15.00 O ATOM 598 CB ALA A 37 67.450 8.364 -3.393 1.00 15.00 C ATOM 0 H ALA A 37 64.984 8.382 -2.534 1.00 15.00 H new ATOM 0 HA ALA A 37 66.619 6.587 -4.353 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.478 8.011 -3.472 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.231 9.036 -4.223 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.321 8.897 -2.451 1.00 15.00 H new ATOM 604 N LEU A 38 67.182 5.012 -2.555 1.00 15.00 N ATOM 605 CA LEU A 38 67.440 4.014 -1.473 1.00 15.00 C ATOM 606 C LEU A 38 68.922 3.637 -1.458 1.00 15.00 C ATOM 607 O LEU A 38 69.532 3.458 -2.495 1.00 15.00 O ATOM 608 CB LEU A 38 66.589 2.795 -1.839 1.00 15.00 C ATOM 609 CG LEU A 38 65.147 3.005 -1.372 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.233 2.000 -2.075 1.00 15.00 C ATOM 611 CD2 LEU A 38 65.064 2.790 0.140 1.00 15.00 C ATOM 0 H LEU A 38 67.361 4.675 -3.501 1.00 15.00 H new ATOM 0 HA LEU A 38 67.191 4.402 -0.486 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.611 2.636 -2.917 1.00 15.00 H new ATOM 0 HB3 LEU A 38 67.003 1.899 -1.376 1.00 15.00 H new ATOM 0 HG LEU A 38 64.832 4.020 -1.615 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.205 2.149 -1.743 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.291 2.148 -3.153 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.550 0.986 -1.830 1.00 15.00 H new ATOM 0 HD21 LEU A 38 64.037 2.940 0.473 1.00 15.00 H new ATOM 0 HD22 LEU A 38 65.379 1.775 0.381 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.716 3.502 0.645 1.00 15.00 H new ATOM 623 N ALA A 39 69.501 3.514 -0.288 1.00 15.00 N ATOM 624 CA ALA A 39 70.944 3.143 -0.192 1.00 15.00 C ATOM 625 C ALA A 39 71.087 1.783 0.494 1.00 15.00 C ATOM 626 O ALA A 39 70.178 1.320 1.160 1.00 15.00 O ATOM 627 CB ALA A 39 71.583 4.244 0.654 1.00 15.00 C ATOM 0 H ALA A 39 69.033 3.656 0.607 1.00 15.00 H new ATOM 0 HA ALA A 39 71.418 3.060 -1.170 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.648 4.042 0.770 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.448 5.207 0.161 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.109 4.270 1.635 1.00 15.00 H new ATOM 633 N LYS A 40 72.227 1.139 0.336 1.00 15.00 N ATOM 634 CA LYS A 40 72.436 -0.230 0.924 1.00 15.00 C ATOM 635 C LYS A 40 71.288 -1.170 0.523 1.00 15.00 C ATOM 636 O LYS A 40 70.617 -1.747 1.360 1.00 15.00 O ATOM 637 CB LYS A 40 72.476 -0.025 2.445 1.00 15.00 C ATOM 638 CG LYS A 40 73.710 0.798 2.820 1.00 15.00 C ATOM 639 CD LYS A 40 73.813 0.901 4.343 1.00 15.00 C ATOM 640 CE LYS A 40 74.978 1.820 4.715 1.00 15.00 C ATOM 641 NZ LYS A 40 74.945 1.899 6.203 1.00 15.00 N ATOM 0 H LYS A 40 73.027 1.507 -0.179 1.00 15.00 H new ATOM 0 HA LYS A 40 73.355 -0.691 0.562 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.572 0.485 2.777 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.502 -0.990 2.952 1.00 15.00 H new ATOM 0 HG2 LYS A 40 74.608 0.331 2.415 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.643 1.794 2.382 1.00 15.00 H new ATOM 0 HD2 LYS A 40 72.882 1.291 4.755 1.00 15.00 H new ATOM 0 HD3 LYS A 40 73.964 -0.088 4.776 1.00 15.00 H new ATOM 0 HE2 LYS A 40 75.927 1.417 4.362 1.00 15.00 H new ATOM 0 HE3 LYS A 40 74.863 2.806 4.264 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 75.716 2.513 6.535 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 74.032 2.292 6.510 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 75.064 0.947 6.604 1.00 15.00 H new ATOM 655 N VAL A 41 71.064 -1.322 -0.761 1.00 15.00 N ATOM 656 CA VAL A 41 69.883 -2.106 -1.237 1.00 15.00 C ATOM 657 C VAL A 41 70.343 -3.318 -2.060 1.00 15.00 C ATOM 658 O VAL A 41 71.351 -3.271 -2.738 1.00 15.00 O ATOM 659 CB VAL A 41 69.063 -1.118 -2.090 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.855 -0.687 -3.331 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.753 -1.780 -2.530 1.00 15.00 C ATOM 0 H VAL A 41 71.651 -0.935 -1.500 1.00 15.00 H new ATOM 0 HA VAL A 41 69.289 -2.507 -0.415 1.00 15.00 H new ATOM 0 HB VAL A 41 68.848 -0.237 -1.486 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.258 0.010 -3.919 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.780 -0.201 -3.021 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.090 -1.563 -3.935 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.176 -1.079 -3.133 1.00 15.00 H new ATOM 0 HG22 VAL A 41 67.975 -2.669 -3.120 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.175 -2.064 -1.650 1.00 15.00 H new ATOM 671 N ARG A 42 69.604 -4.397 -1.997 1.00 15.00 N ATOM 672 CA ARG A 42 69.966 -5.616 -2.784 1.00 15.00 C ATOM 673 C ARG A 42 68.714 -6.209 -3.443 1.00 15.00 C ATOM 674 O ARG A 42 67.611 -6.039 -2.956 1.00 15.00 O ATOM 675 CB ARG A 42 70.575 -6.597 -1.768 1.00 15.00 C ATOM 676 CG ARG A 42 69.565 -6.923 -0.660 1.00 15.00 C ATOM 677 CD ARG A 42 70.251 -7.754 0.429 1.00 15.00 C ATOM 678 NE ARG A 42 69.160 -8.122 1.385 1.00 15.00 N ATOM 679 CZ ARG A 42 68.287 -9.071 1.105 1.00 15.00 C ATOM 680 NH1 ARG A 42 68.321 -9.727 -0.033 1.00 15.00 N ATOM 681 NH2 ARG A 42 67.361 -9.361 1.977 1.00 15.00 N ATOM 0 H ARG A 42 68.760 -4.487 -1.431 1.00 15.00 H new ATOM 0 HA ARG A 42 70.668 -5.394 -3.587 1.00 15.00 H new ATOM 0 HB2 ARG A 42 70.876 -7.514 -2.275 1.00 15.00 H new ATOM 0 HB3 ARG A 42 71.475 -6.164 -1.331 1.00 15.00 H new ATOM 0 HG2 ARG A 42 69.168 -6.002 -0.233 1.00 15.00 H new ATOM 0 HG3 ARG A 42 68.720 -7.473 -1.074 1.00 15.00 H new ATOM 0 HD2 ARG A 42 70.723 -8.642 0.009 1.00 15.00 H new ATOM 0 HD3 ARG A 42 71.034 -7.182 0.926 1.00 15.00 H new ATOM 0 HE ARG A 42 69.090 -7.627 2.274 1.00 15.00 H new ATOM 0 HH11 ARG A 42 69.035 -9.507 -0.727 1.00 15.00 H new ATOM 0 HH12 ARG A 42 67.633 -10.456 -0.222 1.00 15.00 H new ATOM 0 HH21 ARG A 42 67.318 -8.856 2.862 1.00 15.00 H new ATOM 0 HH22 ARG A 42 66.680 -10.092 1.773 1.00 15.00 H new ATOM 695 N SER A 43 68.882 -6.900 -4.544 1.00 15.00 N ATOM 696 CA SER A 43 67.711 -7.506 -5.244 1.00 15.00 C ATOM 697 C SER A 43 67.602 -8.994 -4.892 1.00 15.00 C ATOM 698 O SER A 43 68.575 -9.724 -4.948 1.00 15.00 O ATOM 699 CB SER A 43 68.003 -7.315 -6.735 1.00 15.00 C ATOM 700 OG SER A 43 69.033 -8.210 -7.137 1.00 15.00 O ATOM 0 H SER A 43 69.784 -7.070 -4.988 1.00 15.00 H new ATOM 0 HA SER A 43 66.766 -7.046 -4.956 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.101 -7.497 -7.319 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.306 -6.286 -6.928 1.00 15.00 H new ATOM 0 HG SER A 43 69.146 -8.905 -6.456 1.00 15.00 H new ATOM 706 N PHE A 44 66.424 -9.443 -4.530 1.00 15.00 N ATOM 707 CA PHE A 44 66.257 -10.869 -4.099 1.00 15.00 C ATOM 708 C PHE A 44 66.448 -11.813 -5.289 1.00 15.00 C ATOM 709 O PHE A 44 67.054 -12.862 -5.163 1.00 15.00 O ATOM 710 CB PHE A 44 64.826 -10.968 -3.562 1.00 15.00 C ATOM 711 CG PHE A 44 64.693 -10.541 -2.120 1.00 15.00 C ATOM 712 CD1 PHE A 44 64.126 -11.425 -1.169 1.00 15.00 C ATOM 713 CD2 PHE A 44 65.136 -9.257 -1.718 1.00 15.00 C ATOM 714 CE1 PHE A 44 64.001 -11.024 0.184 1.00 15.00 C ATOM 715 CE2 PHE A 44 65.011 -8.857 -0.364 1.00 15.00 C ATOM 716 CZ PHE A 44 64.444 -9.741 0.586 1.00 15.00 C ATOM 0 H PHE A 44 65.571 -8.884 -4.514 1.00 15.00 H new ATOM 0 HA PHE A 44 66.993 -11.153 -3.347 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.172 -10.350 -4.177 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.479 -11.997 -3.662 1.00 15.00 H new ATOM 0 HD1 PHE A 44 63.789 -12.404 -1.475 1.00 15.00 H new ATOM 0 HD2 PHE A 44 65.569 -8.583 -2.443 1.00 15.00 H new ATOM 0 HE1 PHE A 44 63.568 -11.697 0.909 1.00 15.00 H new ATOM 0 HE2 PHE A 44 65.348 -7.878 -0.057 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.350 -9.436 1.618 1.00 15.00 H new ATOM 984 N PHE A 62 74.199 -2.794 -3.823 1.00 15.00 N ATOM 985 CA PHE A 62 74.480 -1.494 -4.503 1.00 15.00 C ATOM 986 C PHE A 62 74.420 -0.350 -3.487 1.00 15.00 C ATOM 987 O PHE A 62 73.529 -0.294 -2.658 1.00 15.00 O ATOM 988 CB PHE A 62 73.372 -1.346 -5.545 1.00 15.00 C ATOM 989 CG PHE A 62 73.452 -2.363 -6.658 1.00 15.00 C ATOM 990 CD1 PHE A 62 73.155 -3.723 -6.399 1.00 15.00 C ATOM 991 CD2 PHE A 62 73.822 -1.955 -7.963 1.00 15.00 C ATOM 992 CE1 PHE A 62 73.227 -4.676 -7.444 1.00 15.00 C ATOM 993 CE2 PHE A 62 73.895 -2.908 -9.008 1.00 15.00 C ATOM 994 CZ PHE A 62 73.598 -4.268 -8.749 1.00 15.00 C ATOM 0 HA PHE A 62 75.470 -1.467 -4.957 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.405 -1.436 -5.050 1.00 15.00 H new ATOM 0 HB3 PHE A 62 73.419 -0.345 -5.974 1.00 15.00 H new ATOM 0 HD1 PHE A 62 72.873 -4.034 -5.404 1.00 15.00 H new ATOM 0 HD2 PHE A 62 74.048 -0.918 -8.161 1.00 15.00 H new ATOM 0 HE1 PHE A 62 72.999 -5.713 -7.246 1.00 15.00 H new ATOM 0 HE2 PHE A 62 74.177 -2.597 -10.003 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.654 -4.994 -9.546 1.00 15.00 H new ATOM 1004 N GLU A 63 75.363 0.560 -3.551 1.00 15.00 N ATOM 1005 CA GLU A 63 75.425 1.662 -2.538 1.00 15.00 C ATOM 1006 C GLU A 63 74.234 2.613 -2.699 1.00 15.00 C ATOM 1007 O GLU A 63 73.614 3.006 -1.728 1.00 15.00 O ATOM 1008 CB GLU A 63 76.739 2.399 -2.819 1.00 15.00 C ATOM 1009 CG GLU A 63 77.021 3.393 -1.689 1.00 15.00 C ATOM 1010 CD GLU A 63 78.256 4.227 -2.037 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.090 4.406 -1.164 1.00 15.00 O ATOM 1012 OE2 GLU A 63 78.348 4.673 -3.168 1.00 15.00 O ATOM 0 H GLU A 63 76.094 0.587 -4.262 1.00 15.00 H new ATOM 0 HA GLU A 63 75.384 1.276 -1.520 1.00 15.00 H new ATOM 0 HB2 GLU A 63 77.558 1.685 -2.902 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.677 2.924 -3.772 1.00 15.00 H new ATOM 0 HG2 GLU A 63 76.160 4.044 -1.540 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.182 2.859 -0.753 1.00 15.00 H new ATOM 1019 N TYR A 64 73.912 2.985 -3.916 1.00 15.00 N ATOM 1020 CA TYR A 64 72.808 3.969 -4.137 1.00 15.00 C ATOM 1021 C TYR A 64 72.099 3.693 -5.467 1.00 15.00 C ATOM 1022 O TYR A 64 72.714 3.695 -6.518 1.00 15.00 O ATOM 1023 CB TYR A 64 73.503 5.331 -4.175 1.00 15.00 C ATOM 1024 CG TYR A 64 72.563 6.502 -4.004 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.574 6.770 -4.982 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.676 7.338 -2.866 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.699 7.871 -4.821 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.799 8.438 -2.707 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.811 8.705 -3.684 1.00 15.00 C ATOM 1030 OH TYR A 64 69.958 9.778 -3.527 1.00 15.00 O ATOM 0 H TYR A 64 74.367 2.649 -4.765 1.00 15.00 H new ATOM 0 HA TYR A 64 72.046 3.914 -3.359 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.257 5.365 -3.389 1.00 15.00 H new ATOM 0 HB3 TYR A 64 74.027 5.434 -5.125 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.488 6.134 -5.851 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.431 7.136 -2.120 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.945 8.074 -5.567 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.884 9.074 -1.839 1.00 15.00 H new ATOM 0 HH TYR A 64 70.170 10.245 -2.692 1.00 15.00 H new ATOM 1040 N ILE A 65 70.810 3.456 -5.423 1.00 15.00 N ATOM 1041 CA ILE A 65 70.017 3.320 -6.689 1.00 15.00 C ATOM 1042 C ILE A 65 68.757 4.192 -6.601 1.00 15.00 C ATOM 1043 O ILE A 65 68.194 4.378 -5.536 1.00 15.00 O ATOM 1044 CB ILE A 65 69.657 1.827 -6.799 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.947 0.993 -6.870 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.832 1.580 -8.073 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.615 -0.502 -6.779 1.00 15.00 C ATOM 0 H ILE A 65 70.270 3.350 -4.564 1.00 15.00 H new ATOM 0 HA ILE A 65 70.573 3.649 -7.567 1.00 15.00 H new ATOM 0 HB ILE A 65 69.074 1.537 -5.925 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.472 1.201 -7.802 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.616 1.275 -6.057 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.581 0.522 -8.144 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.915 2.169 -8.033 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.414 1.874 -8.946 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.536 -1.083 -6.830 1.00 15.00 H new ATOM 0 HD12 ILE A 65 70.110 -0.706 -5.835 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.963 -0.781 -7.607 1.00 15.00 H new ATOM 1059 N ILE A 66 68.315 4.725 -7.716 1.00 15.00 N ATOM 1060 CA ILE A 66 67.121 5.627 -7.708 1.00 15.00 C ATOM 1061 C ILE A 66 65.944 4.943 -8.418 1.00 15.00 C ATOM 1062 O ILE A 66 66.110 4.313 -9.447 1.00 15.00 O ATOM 1063 CB ILE A 66 67.560 6.888 -8.474 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.740 7.550 -7.754 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.400 7.889 -8.543 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.386 8.586 -8.675 1.00 15.00 C ATOM 0 H ILE A 66 68.732 4.573 -8.634 1.00 15.00 H new ATOM 0 HA ILE A 66 66.790 5.867 -6.698 1.00 15.00 H new ATOM 0 HB ILE A 66 67.857 6.598 -9.482 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.397 8.028 -6.836 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.473 6.796 -7.467 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.719 8.778 -9.087 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.555 7.432 -9.058 1.00 15.00 H new ATOM 0 HG23 ILE A 66 66.100 8.169 -7.533 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.225 9.056 -8.162 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.743 8.095 -9.580 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.651 9.346 -8.940 1.00 15.00 H new ATOM 1078 N PHE A 67 64.759 5.069 -7.870 1.00 15.00 N ATOM 1079 CA PHE A 67 63.545 4.515 -8.543 1.00 15.00 C ATOM 1080 C PHE A 67 62.461 5.593 -8.633 1.00 15.00 C ATOM 1081 O PHE A 67 62.328 6.420 -7.749 1.00 15.00 O ATOM 1082 CB PHE A 67 63.085 3.363 -7.651 1.00 15.00 C ATOM 1083 CG PHE A 67 64.047 2.199 -7.624 1.00 15.00 C ATOM 1084 CD1 PHE A 67 64.172 1.357 -8.755 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.823 1.949 -6.466 1.00 15.00 C ATOM 1086 CE1 PHE A 67 65.073 0.265 -8.730 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.726 0.858 -6.441 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.851 0.016 -7.572 1.00 15.00 C ATOM 0 H PHE A 67 64.581 5.535 -6.980 1.00 15.00 H new ATOM 0 HA PHE A 67 63.750 4.181 -9.560 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.947 3.734 -6.635 1.00 15.00 H new ATOM 0 HB3 PHE A 67 62.113 3.012 -7.997 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.580 1.548 -9.638 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.726 2.590 -5.602 1.00 15.00 H new ATOM 0 HE1 PHE A 67 65.167 -0.378 -9.593 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.319 0.668 -5.559 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.539 -0.816 -7.552 1.00 15.00 H new ATOM 1098 N ARG A 68 61.690 5.588 -9.693 1.00 15.00 N ATOM 1099 CA ARG A 68 60.612 6.612 -9.851 1.00 15.00 C ATOM 1100 C ARG A 68 59.239 5.970 -9.632 1.00 15.00 C ATOM 1101 O ARG A 68 59.054 4.790 -9.861 1.00 15.00 O ATOM 1102 CB ARG A 68 60.747 7.115 -11.289 1.00 15.00 C ATOM 1103 CG ARG A 68 62.058 7.889 -11.442 1.00 15.00 C ATOM 1104 CD ARG A 68 62.271 8.247 -12.915 1.00 15.00 C ATOM 1105 NE ARG A 68 61.212 9.256 -13.228 1.00 15.00 N ATOM 1106 CZ ARG A 68 61.316 10.513 -12.837 1.00 15.00 C ATOM 1107 NH1 ARG A 68 62.347 10.936 -12.141 1.00 15.00 N ATOM 1108 NH2 ARG A 68 60.369 11.356 -13.147 1.00 15.00 N ATOM 0 H ARG A 68 61.762 4.917 -10.457 1.00 15.00 H new ATOM 0 HA ARG A 68 60.703 7.423 -9.128 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.727 6.274 -11.982 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.903 7.757 -11.541 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.030 8.795 -10.837 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.892 7.288 -11.079 1.00 15.00 H new ATOM 0 HD2 ARG A 68 63.267 8.657 -13.081 1.00 15.00 H new ATOM 0 HD3 ARG A 68 62.178 7.367 -13.552 1.00 15.00 H new ATOM 0 HE ARG A 68 60.389 8.966 -13.756 1.00 15.00 H new ATOM 0 HH11 ARG A 68 63.093 10.288 -11.889 1.00 15.00 H new ATOM 0 HH12 ARG A 68 62.401 11.913 -11.852 1.00 15.00 H new ATOM 0 HH21 ARG A 68 59.562 11.041 -13.685 1.00 15.00 H new ATOM 0 HH22 ARG A 68 60.436 12.330 -12.851 1.00 15.00 H new ATOM 1122 N GLY A 69 58.274 6.743 -9.190 1.00 15.00 N ATOM 1123 CA GLY A 69 56.905 6.189 -8.931 1.00 15.00 C ATOM 1124 C GLY A 69 56.330 5.545 -10.203 1.00 15.00 C ATOM 1125 O GLY A 69 55.497 4.660 -10.130 1.00 15.00 O ATOM 0 H GLY A 69 58.377 7.739 -8.997 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.952 5.449 -8.132 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.244 6.985 -8.590 1.00 15.00 H new ATOM 1129 N SER A 70 56.766 5.982 -11.362 1.00 15.00 N ATOM 1130 CA SER A 70 56.212 5.425 -12.640 1.00 15.00 C ATOM 1131 C SER A 70 56.588 3.946 -12.796 1.00 15.00 C ATOM 1132 O SER A 70 55.774 3.134 -13.194 1.00 15.00 O ATOM 1133 CB SER A 70 56.848 6.256 -13.756 1.00 15.00 C ATOM 1134 OG SER A 70 58.243 5.986 -13.805 1.00 15.00 O ATOM 0 H SER A 70 57.481 6.700 -11.479 1.00 15.00 H new ATOM 0 HA SER A 70 55.123 5.477 -12.662 1.00 15.00 H new ATOM 0 HB2 SER A 70 56.385 6.015 -14.713 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.677 7.318 -13.577 1.00 15.00 H new ATOM 0 HG SER A 70 58.654 6.515 -14.520 1.00 15.00 H new ATOM 1140 N ASP A 71 57.814 3.595 -12.485 1.00 15.00 N ATOM 1141 CA ASP A 71 58.261 2.175 -12.666 1.00 15.00 C ATOM 1142 C ASP A 71 57.890 1.329 -11.440 1.00 15.00 C ATOM 1143 O ASP A 71 57.630 0.146 -11.554 1.00 15.00 O ATOM 1144 CB ASP A 71 59.788 2.241 -12.855 1.00 15.00 C ATOM 1145 CG ASP A 71 60.461 2.830 -11.608 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.738 4.017 -11.614 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.689 2.081 -10.672 1.00 15.00 O ATOM 0 H ASP A 71 58.523 4.228 -12.115 1.00 15.00 H new ATOM 0 HA ASP A 71 57.776 1.704 -13.521 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.179 1.242 -13.049 1.00 15.00 H new ATOM 0 HB3 ASP A 71 60.026 2.851 -13.726 1.00 15.00 H new ATOM 1152 N ILE A 72 57.864 1.930 -10.274 1.00 15.00 N ATOM 1153 CA ILE A 72 57.507 1.166 -9.032 1.00 15.00 C ATOM 1154 C ILE A 72 56.039 0.720 -9.101 1.00 15.00 C ATOM 1155 O ILE A 72 55.200 1.405 -9.656 1.00 15.00 O ATOM 1156 CB ILE A 72 57.725 2.143 -7.861 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.194 2.582 -7.816 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.372 1.455 -6.537 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.322 3.847 -6.966 1.00 15.00 C ATOM 0 H ILE A 72 58.074 2.917 -10.127 1.00 15.00 H new ATOM 0 HA ILE A 72 58.114 0.268 -8.914 1.00 15.00 H new ATOM 0 HB ILE A 72 57.085 3.013 -8.006 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.810 1.786 -7.398 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.559 2.771 -8.825 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.528 2.151 -5.713 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.328 1.143 -6.556 1.00 15.00 H new ATOM 0 HG23 ILE A 72 58.009 0.581 -6.400 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.366 4.160 -6.934 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.719 4.642 -7.404 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.973 3.642 -5.954 1.00 15.00 H new ATOM 1171 N LYS A 73 55.733 -0.424 -8.538 1.00 15.00 N ATOM 1172 CA LYS A 73 54.328 -0.931 -8.566 1.00 15.00 C ATOM 1173 C LYS A 73 53.693 -0.811 -7.177 1.00 15.00 C ATOM 1174 O LYS A 73 52.563 -0.379 -7.041 1.00 15.00 O ATOM 1175 CB LYS A 73 54.446 -2.399 -8.977 1.00 15.00 C ATOM 1176 CG LYS A 73 53.055 -2.962 -9.273 1.00 15.00 C ATOM 1177 CD LYS A 73 53.167 -4.448 -9.616 1.00 15.00 C ATOM 1178 CE LYS A 73 51.801 -4.975 -10.064 1.00 15.00 C ATOM 1179 NZ LYS A 73 52.040 -6.397 -10.433 1.00 15.00 N ATOM 0 H LYS A 73 56.400 -1.029 -8.059 1.00 15.00 H new ATOM 0 HA LYS A 73 53.698 -0.364 -9.252 1.00 15.00 H new ATOM 0 HB2 LYS A 73 55.081 -2.491 -9.858 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.920 -2.973 -8.181 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.405 -2.826 -8.409 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.601 -2.420 -10.102 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.902 -4.595 -10.407 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.517 -5.007 -8.748 1.00 15.00 H new ATOM 0 HE2 LYS A 73 51.065 -4.893 -9.265 1.00 15.00 H new ATOM 0 HE3 LYS A 73 51.417 -4.406 -10.911 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 51.445 -6.649 -11.248 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 53.041 -6.528 -10.682 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 51.801 -7.010 -9.627 1.00 15.00 H new ATOM 1193 N ASP A 74 54.414 -1.191 -6.148 1.00 15.00 N ATOM 1194 CA ASP A 74 53.840 -1.144 -4.766 1.00 15.00 C ATOM 1195 C ASP A 74 54.935 -0.857 -3.732 1.00 15.00 C ATOM 1196 O ASP A 74 56.080 -1.224 -3.915 1.00 15.00 O ATOM 1197 CB ASP A 74 53.243 -2.534 -4.541 1.00 15.00 C ATOM 1198 CG ASP A 74 52.396 -2.528 -3.267 1.00 15.00 C ATOM 1199 OD1 ASP A 74 51.626 -1.596 -3.096 1.00 15.00 O ATOM 1200 OD2 ASP A 74 52.531 -3.454 -2.486 1.00 15.00 O ATOM 0 H ASP A 74 55.374 -1.531 -6.206 1.00 15.00 H new ATOM 0 HA ASP A 74 53.097 -0.353 -4.659 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.630 -2.821 -5.396 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.039 -3.274 -4.457 1.00 15.00 H new ATOM 1205 N LEU A 75 54.582 -0.206 -2.648 1.00 15.00 N ATOM 1206 CA LEU A 75 55.582 0.096 -1.576 1.00 15.00 C ATOM 1207 C LEU A 75 55.051 -0.364 -0.214 1.00 15.00 C ATOM 1208 O LEU A 75 53.939 -0.044 0.165 1.00 15.00 O ATOM 1209 CB LEU A 75 55.739 1.618 -1.603 1.00 15.00 C ATOM 1210 CG LEU A 75 56.975 2.026 -0.798 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.468 3.393 -1.274 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.615 2.107 0.688 1.00 15.00 C ATOM 0 H LEU A 75 53.638 0.131 -2.460 1.00 15.00 H new ATOM 0 HA LEU A 75 56.530 -0.416 -1.737 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.833 1.965 -2.632 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.850 2.092 -1.187 1.00 15.00 H new ATOM 0 HG LEU A 75 57.760 1.284 -0.943 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.348 3.682 -0.700 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.726 3.339 -2.332 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.681 4.134 -1.130 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.496 2.398 1.260 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.828 2.847 0.832 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.264 1.134 1.031 1.00 15.00 H new ATOM 1224 N THR A 76 55.839 -1.113 0.522 1.00 15.00 N ATOM 1225 CA THR A 76 55.392 -1.588 1.870 1.00 15.00 C ATOM 1226 C THR A 76 56.509 -1.395 2.905 1.00 15.00 C ATOM 1227 O THR A 76 57.676 -1.553 2.604 1.00 15.00 O ATOM 1228 CB THR A 76 55.088 -3.076 1.682 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.239 -3.243 0.555 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.392 -3.619 2.931 1.00 15.00 C ATOM 0 H THR A 76 56.773 -1.416 0.246 1.00 15.00 H new ATOM 0 HA THR A 76 54.527 -1.034 2.235 1.00 15.00 H new ATOM 0 HB THR A 76 56.019 -3.621 1.523 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.044 -4.195 0.431 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.176 -4.679 2.796 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.043 -3.489 3.796 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.460 -3.077 3.093 1.00 15.00 H new