USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 549 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.743 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.202) USER MOD Single : A 23 ASN : amide:sc= -0.882! X(o=-0.88!,f=-1) USER MOD Single : A 25 SER OG : rot 170:sc= -3.26! USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 154:sc= 0.831 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.306 USER MOD Single : A 68 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.167) USER MOD Single : A 69 ASN : amide:sc= -5.04! C(o=-5!,f=-6.6!) USER MOD Single : A 73 LYS NZ :NH3+ 150:sc= 1 (180deg=0.906) USER MOD Single : A 74 GLN : amide:sc= -5.04! C(o=-5!,f=-10!) USER MOD Single : A 82 SER OG : rot 180:sc= 0.0915 USER MOD Single : A 84 SER OG : rot 172:sc= -0.948 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -41:sc= -3.04! USER MOD Single : A 88 THR OG1 : rot 64:sc= 0.701 USER MOD ----------------------------------------------------------------- ATOM 228 N ALA A 15 78.939 9.039 4.180 1.00 0.00 N ATOM 229 CA ALA A 15 77.911 8.250 3.454 1.00 0.00 C ATOM 230 C ALA A 15 78.479 7.741 2.126 1.00 0.00 C ATOM 231 O ALA A 15 77.838 7.001 1.408 1.00 0.00 O ATOM 232 CB ALA A 15 76.761 9.229 3.208 1.00 0.00 C ATOM 0 HA ALA A 15 77.586 7.375 4.017 1.00 0.00 H new ATOM 0 HB1 ALA A 15 75.958 8.721 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 76.385 9.597 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 15 77.119 10.068 2.612 1.00 0.00 H new ATOM 238 N ALA A 16 79.680 8.135 1.796 1.00 0.00 N ATOM 239 CA ALA A 16 80.290 7.676 0.516 1.00 0.00 C ATOM 240 C ALA A 16 80.760 6.224 0.645 1.00 0.00 C ATOM 241 O ALA A 16 80.913 5.523 -0.335 1.00 0.00 O ATOM 242 CB ALA A 16 81.481 8.607 0.289 1.00 0.00 C ATOM 0 H ALA A 16 80.264 8.755 2.358 1.00 0.00 H new ATOM 0 HA ALA A 16 79.584 7.708 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.985 8.333 -0.638 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.130 9.637 0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 16 82.178 8.516 1.122 1.00 0.00 H new ATOM 248 N ARG A 17 80.990 5.766 1.846 1.00 0.00 N ATOM 249 CA ARG A 17 81.449 4.359 2.029 1.00 0.00 C ATOM 250 C ARG A 17 80.254 3.449 2.320 1.00 0.00 C ATOM 251 O ARG A 17 80.396 2.389 2.899 1.00 0.00 O ATOM 252 CB ARG A 17 82.400 4.401 3.225 1.00 0.00 C ATOM 253 CG ARG A 17 81.673 4.988 4.437 1.00 0.00 C ATOM 254 CD ARG A 17 82.433 6.216 4.940 1.00 0.00 C ATOM 255 NE ARG A 17 83.808 5.725 5.232 1.00 0.00 N ATOM 256 CZ ARG A 17 84.649 6.484 5.882 1.00 0.00 C ATOM 257 NH1 ARG A 17 84.501 7.780 5.869 1.00 0.00 N ATOM 258 NH2 ARG A 17 85.636 5.945 6.544 1.00 0.00 N ATOM 0 H ARG A 17 80.880 6.303 2.706 1.00 0.00 H new ATOM 0 HA ARG A 17 81.938 3.965 1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 17 82.758 3.397 3.454 1.00 0.00 H new ATOM 0 HB3 ARG A 17 83.275 5.005 2.986 1.00 0.00 H new ATOM 0 HG2 ARG A 17 80.654 5.264 4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 17 81.601 4.242 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 17 82.447 7.006 4.189 1.00 0.00 H new ATOM 0 HD3 ARG A 17 81.965 6.632 5.832 1.00 0.00 H new ATOM 0 HE ARG A 17 84.093 4.795 4.924 1.00 0.00 H new ATOM 0 HH11 ARG A 17 83.729 8.200 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 17 85.157 8.373 6.376 1.00 0.00 H new ATOM 0 HH21 ARG A 17 85.750 4.931 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 17 86.293 6.537 7.052 1.00 0.00 H new ATOM 272 N THR A 18 79.077 3.852 1.926 1.00 0.00 N ATOM 273 CA THR A 18 77.875 3.007 2.183 1.00 0.00 C ATOM 274 C THR A 18 76.806 3.260 1.119 1.00 0.00 C ATOM 275 O THR A 18 76.441 4.385 0.844 1.00 0.00 O ATOM 276 CB THR A 18 77.373 3.443 3.560 1.00 0.00 C ATOM 277 OG1 THR A 18 78.367 3.162 4.536 1.00 0.00 O ATOM 278 CG2 THR A 18 76.090 2.684 3.901 1.00 0.00 C ATOM 0 H THR A 18 78.895 4.729 1.438 1.00 0.00 H new ATOM 0 HA THR A 18 78.107 1.942 2.149 1.00 0.00 H new ATOM 0 HB THR A 18 77.167 4.513 3.550 1.00 0.00 H new ATOM 0 HG1 THR A 18 78.047 3.442 5.419 1.00 0.00 H new ATOM 0 HG21 THR A 18 75.733 2.995 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 18 75.329 2.902 3.152 1.00 0.00 H new ATOM 0 HG23 THR A 18 76.293 1.613 3.912 1.00 0.00 H new ATOM 286 N LEU A 19 76.292 2.216 0.530 1.00 0.00 N ATOM 287 CA LEU A 19 75.232 2.389 -0.503 1.00 0.00 C ATOM 288 C LEU A 19 74.008 1.545 -0.137 1.00 0.00 C ATOM 289 O LEU A 19 74.104 0.558 0.568 1.00 0.00 O ATOM 290 CB LEU A 19 75.840 1.957 -1.855 1.00 0.00 C ATOM 291 CG LEU A 19 76.688 0.682 -1.736 1.00 0.00 C ATOM 292 CD1 LEU A 19 78.011 0.989 -1.034 1.00 0.00 C ATOM 293 CD2 LEU A 19 75.923 -0.388 -0.962 1.00 0.00 C ATOM 0 H LEU A 19 76.560 1.250 0.719 1.00 0.00 H new ATOM 0 HA LEU A 19 74.898 3.425 -0.565 1.00 0.00 H new ATOM 0 HB2 LEU A 19 75.038 1.791 -2.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 76.457 2.765 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 19 76.900 0.310 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 19 78.602 0.076 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 19 78.564 1.732 -1.609 1.00 0.00 H new ATOM 0 HD13 LEU A 19 77.811 1.378 -0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 19 76.534 -1.287 -0.884 1.00 0.00 H new ATOM 0 HD22 LEU A 19 75.691 -0.019 0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 19 74.996 -0.623 -1.486 1.00 0.00 H new ATOM 305 N LEU A 20 72.850 1.943 -0.589 1.00 0.00 N ATOM 306 CA LEU A 20 71.613 1.180 -0.247 1.00 0.00 C ATOM 307 C LEU A 20 71.291 0.149 -1.330 1.00 0.00 C ATOM 308 O LEU A 20 71.179 0.473 -2.493 1.00 0.00 O ATOM 309 CB LEU A 20 70.508 2.234 -0.175 1.00 0.00 C ATOM 310 CG LEU A 20 69.280 1.643 0.518 1.00 0.00 C ATOM 311 CD1 LEU A 20 69.321 1.981 2.009 1.00 0.00 C ATOM 312 CD2 LEU A 20 68.013 2.234 -0.103 1.00 0.00 C ATOM 0 H LEU A 20 72.706 2.762 -1.180 1.00 0.00 H new ATOM 0 HA LEU A 20 71.723 0.628 0.686 1.00 0.00 H new ATOM 0 HB2 LEU A 20 70.861 3.109 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 20 70.246 2.570 -1.178 1.00 0.00 H new ATOM 0 HG LEU A 20 69.278 0.560 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 20 68.445 1.559 2.502 1.00 0.00 H new ATOM 0 HD12 LEU A 20 70.224 1.562 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 20 69.323 3.063 2.137 1.00 0.00 H new ATOM 0 HD21 LEU A 20 67.136 1.814 0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 20 68.017 3.317 0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 20 67.982 1.993 -1.166 1.00 0.00 H new ATOM 324 N ALA A 21 71.123 -1.090 -0.956 1.00 0.00 N ATOM 325 CA ALA A 21 70.792 -2.131 -1.968 1.00 0.00 C ATOM 326 C ALA A 21 69.303 -2.052 -2.311 1.00 0.00 C ATOM 327 O ALA A 21 68.466 -1.948 -1.439 1.00 0.00 O ATOM 328 CB ALA A 21 71.118 -3.462 -1.293 1.00 0.00 C ATOM 0 H ALA A 21 71.201 -1.425 0.004 1.00 0.00 H new ATOM 0 HA ALA A 21 71.348 -2.006 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 21 70.900 -4.281 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 21 72.174 -3.485 -1.025 1.00 0.00 H new ATOM 0 HB3 ALA A 21 70.513 -3.571 -0.393 1.00 0.00 H new ATOM 334 N LYS A 22 68.963 -2.096 -3.570 1.00 0.00 N ATOM 335 CA LYS A 22 67.524 -2.017 -3.948 1.00 0.00 C ATOM 336 C LYS A 22 67.200 -3.047 -5.029 1.00 0.00 C ATOM 337 O LYS A 22 68.038 -3.830 -5.429 1.00 0.00 O ATOM 338 CB LYS A 22 67.331 -0.599 -4.486 1.00 0.00 C ATOM 339 CG LYS A 22 66.037 -0.010 -3.918 1.00 0.00 C ATOM 340 CD LYS A 22 65.162 0.502 -5.065 1.00 0.00 C ATOM 341 CE LYS A 22 64.634 1.896 -4.719 1.00 0.00 C ATOM 342 NZ LYS A 22 63.660 1.676 -3.613 1.00 0.00 N ATOM 0 H LYS A 22 69.615 -2.183 -4.349 1.00 0.00 H new ATOM 0 HA LYS A 22 66.867 -2.227 -3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 22 68.180 0.026 -4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 22 67.289 -0.614 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 22 65.500 -0.768 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 22 66.267 0.804 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 22 65.739 0.539 -5.989 1.00 0.00 H new ATOM 0 HD3 LYS A 22 64.330 -0.182 -5.236 1.00 0.00 H new ATOM 0 HE2 LYS A 22 65.442 2.558 -4.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 64.155 2.361 -5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 63.063 2.520 -3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 63.061 0.855 -3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 64.175 1.498 -2.727 1.00 0.00 H new ATOM 356 N ASN A 23 65.985 -3.051 -5.505 1.00 0.00 N ATOM 357 CA ASN A 23 65.605 -4.031 -6.562 1.00 0.00 C ATOM 358 C ASN A 23 65.862 -5.457 -6.072 1.00 0.00 C ATOM 359 O ASN A 23 65.912 -6.392 -6.846 1.00 0.00 O ATOM 360 CB ASN A 23 66.508 -3.701 -7.751 1.00 0.00 C ATOM 361 CG ASN A 23 65.769 -4.006 -9.055 1.00 0.00 C ATOM 362 OD1 ASN A 23 65.073 -3.162 -9.584 1.00 0.00 O ATOM 363 ND2 ASN A 23 65.893 -5.185 -9.600 1.00 0.00 N ATOM 0 H ASN A 23 65.241 -2.420 -5.209 1.00 0.00 H new ATOM 0 HA ASN A 23 64.549 -3.969 -6.824 1.00 0.00 H new ATOM 0 HB2 ASN A 23 66.796 -2.650 -7.721 1.00 0.00 H new ATOM 0 HB3 ASN A 23 67.427 -4.285 -7.696 1.00 0.00 H new ATOM 0 HD21 ASN A 23 65.406 -5.398 -10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 23 66.477 -5.893 -9.156 1.00 0.00 H new ATOM 370 N LEU A 24 66.029 -5.632 -4.789 1.00 0.00 N ATOM 371 CA LEU A 24 66.284 -6.998 -4.248 1.00 0.00 C ATOM 372 C LEU A 24 65.009 -7.841 -4.313 1.00 0.00 C ATOM 373 O LEU A 24 64.220 -7.723 -5.231 1.00 0.00 O ATOM 374 CB LEU A 24 66.705 -6.776 -2.795 1.00 0.00 C ATOM 375 CG LEU A 24 67.897 -5.820 -2.747 1.00 0.00 C ATOM 376 CD1 LEU A 24 67.860 -5.022 -1.443 1.00 0.00 C ATOM 377 CD2 LEU A 24 69.197 -6.625 -2.813 1.00 0.00 C ATOM 0 H LEU A 24 66.000 -4.888 -4.092 1.00 0.00 H new ATOM 0 HA LEU A 24 67.046 -7.531 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 24 65.873 -6.365 -2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 24 66.970 -7.727 -2.333 1.00 0.00 H new ATOM 0 HG LEU A 24 67.848 -5.135 -3.594 1.00 0.00 H new ATOM 0 HD11 LEU A 24 68.710 -4.341 -1.409 1.00 0.00 H new ATOM 0 HD12 LEU A 24 66.934 -4.450 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 24 67.910 -5.706 -0.596 1.00 0.00 H new ATOM 0 HD21 LEU A 24 70.048 -5.945 -2.779 1.00 0.00 H new ATOM 0 HD22 LEU A 24 69.245 -7.309 -1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 24 69.225 -7.195 -3.742 1.00 0.00 H new ATOM 389 N SER A 25 64.802 -8.690 -3.347 1.00 0.00 N ATOM 390 CA SER A 25 63.580 -9.542 -3.348 1.00 0.00 C ATOM 391 C SER A 25 62.908 -9.497 -1.974 1.00 0.00 C ATOM 392 O SER A 25 63.265 -8.707 -1.123 1.00 0.00 O ATOM 393 CB SER A 25 64.072 -10.958 -3.654 1.00 0.00 C ATOM 394 OG SER A 25 65.495 -10.976 -3.663 1.00 0.00 O ATOM 0 H SER A 25 65.428 -8.832 -2.554 1.00 0.00 H new ATOM 0 HA SER A 25 62.845 -9.203 -4.078 1.00 0.00 H new ATOM 0 HB2 SER A 25 63.694 -11.655 -2.906 1.00 0.00 H new ATOM 0 HB3 SER A 25 63.688 -11.287 -4.620 1.00 0.00 H new ATOM 0 HG SER A 25 65.810 -11.903 -3.698 1.00 0.00 H new ATOM 400 N PHE A 26 61.941 -10.342 -1.750 1.00 0.00 N ATOM 401 CA PHE A 26 61.248 -10.350 -0.430 1.00 0.00 C ATOM 402 C PHE A 26 61.874 -11.408 0.483 1.00 0.00 C ATOM 403 O PHE A 26 61.883 -11.275 1.691 1.00 0.00 O ATOM 404 CB PHE A 26 59.799 -10.714 -0.748 1.00 0.00 C ATOM 405 CG PHE A 26 58.907 -9.524 -0.483 1.00 0.00 C ATOM 406 CD1 PHE A 26 58.898 -8.443 -1.371 1.00 0.00 C ATOM 407 CD2 PHE A 26 58.085 -9.506 0.650 1.00 0.00 C ATOM 408 CE1 PHE A 26 58.067 -7.344 -1.128 1.00 0.00 C ATOM 409 CE2 PHE A 26 57.255 -8.405 0.895 1.00 0.00 C ATOM 410 CZ PHE A 26 57.245 -7.325 0.006 1.00 0.00 C ATOM 0 H PHE A 26 61.600 -11.028 -2.423 1.00 0.00 H new ATOM 0 HA PHE A 26 61.326 -9.393 0.085 1.00 0.00 H new ATOM 0 HB2 PHE A 26 59.711 -11.022 -1.790 1.00 0.00 H new ATOM 0 HB3 PHE A 26 59.484 -11.560 -0.138 1.00 0.00 H new ATOM 0 HD1 PHE A 26 59.533 -8.457 -2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 26 58.091 -10.341 1.335 1.00 0.00 H new ATOM 0 HE1 PHE A 26 58.059 -6.510 -1.815 1.00 0.00 H new ATOM 0 HE2 PHE A 26 56.623 -8.390 1.770 1.00 0.00 H new ATOM 0 HZ PHE A 26 56.604 -6.477 0.194 1.00 0.00 H new ATOM 420 N ASN A 27 62.394 -12.458 -0.089 1.00 0.00 N ATOM 421 CA ASN A 27 63.014 -13.528 0.737 1.00 0.00 C ATOM 422 C ASN A 27 64.484 -13.207 1.018 1.00 0.00 C ATOM 423 O ASN A 27 65.041 -13.634 2.009 1.00 0.00 O ATOM 424 CB ASN A 27 62.896 -14.796 -0.110 1.00 0.00 C ATOM 425 CG ASN A 27 63.314 -16.008 0.724 1.00 0.00 C ATOM 426 OD1 ASN A 27 62.582 -16.448 1.587 1.00 0.00 O ATOM 427 ND2 ASN A 27 64.471 -16.570 0.500 1.00 0.00 N ATOM 0 H ASN A 27 62.416 -12.620 -1.096 1.00 0.00 H new ATOM 0 HA ASN A 27 62.526 -13.633 1.706 1.00 0.00 H new ATOM 0 HB2 ASN A 27 61.871 -14.918 -0.460 1.00 0.00 H new ATOM 0 HB3 ASN A 27 63.527 -14.715 -0.995 1.00 0.00 H new ATOM 0 HD21 ASN A 27 64.760 -17.379 1.050 1.00 0.00 H new ATOM 0 HD22 ASN A 27 65.086 -16.200 -0.225 1.00 0.00 H new ATOM 434 N ILE A 28 65.120 -12.463 0.153 1.00 0.00 N ATOM 435 CA ILE A 28 66.556 -12.125 0.379 1.00 0.00 C ATOM 436 C ILE A 28 66.742 -11.493 1.758 1.00 0.00 C ATOM 437 O ILE A 28 65.829 -10.922 2.320 1.00 0.00 O ATOM 438 CB ILE A 28 66.915 -11.132 -0.724 1.00 0.00 C ATOM 439 CG1 ILE A 28 68.423 -10.872 -0.707 1.00 0.00 C ATOM 440 CG2 ILE A 28 66.172 -9.815 -0.500 1.00 0.00 C ATOM 441 CD1 ILE A 28 69.110 -11.811 -1.699 1.00 0.00 C ATOM 0 H ILE A 28 64.710 -12.076 -0.697 1.00 0.00 H new ATOM 0 HA ILE A 28 67.194 -13.008 0.349 1.00 0.00 H new ATOM 0 HB ILE A 28 66.625 -11.550 -1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 28 68.627 -9.834 -0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 28 68.820 -11.031 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 28 66.433 -9.111 -1.290 1.00 0.00 H new ATOM 0 HG22 ILE A 28 65.097 -9.996 -0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 28 66.455 -9.397 0.466 1.00 0.00 H new ATOM 0 HD11 ILE A 28 70.184 -11.628 -1.689 1.00 0.00 H new ATOM 0 HD12 ILE A 28 68.915 -12.845 -1.415 1.00 0.00 H new ATOM 0 HD13 ILE A 28 68.720 -11.630 -2.701 1.00 0.00 H new ATOM 453 N THR A 29 67.921 -11.596 2.308 1.00 0.00 N ATOM 454 CA THR A 29 68.171 -11.006 3.656 1.00 0.00 C ATOM 455 C THR A 29 69.643 -10.613 3.807 1.00 0.00 C ATOM 456 O THR A 29 70.420 -10.691 2.873 1.00 0.00 O ATOM 457 CB THR A 29 67.821 -12.118 4.647 1.00 0.00 C ATOM 458 OG1 THR A 29 68.860 -13.088 4.650 1.00 0.00 O ATOM 459 CG2 THR A 29 66.505 -12.781 4.239 1.00 0.00 C ATOM 0 H THR A 29 68.722 -12.063 1.883 1.00 0.00 H new ATOM 0 HA THR A 29 67.582 -10.104 3.820 1.00 0.00 H new ATOM 0 HB THR A 29 67.713 -11.692 5.645 1.00 0.00 H new ATOM 0 HG1 THR A 29 68.876 -13.548 5.515 1.00 0.00 H new ATOM 0 HG21 THR A 29 66.261 -13.572 4.948 1.00 0.00 H new ATOM 0 HG22 THR A 29 65.708 -12.037 4.237 1.00 0.00 H new ATOM 0 HG23 THR A 29 66.606 -13.207 3.241 1.00 0.00 H new ATOM 467 N GLU A 30 70.034 -10.196 4.981 1.00 0.00 N ATOM 468 CA GLU A 30 71.455 -9.805 5.200 1.00 0.00 C ATOM 469 C GLU A 30 72.376 -10.938 4.753 1.00 0.00 C ATOM 470 O GLU A 30 73.455 -10.712 4.244 1.00 0.00 O ATOM 471 CB GLU A 30 71.576 -9.571 6.706 1.00 0.00 C ATOM 472 CG GLU A 30 72.120 -8.164 6.961 1.00 0.00 C ATOM 473 CD GLU A 30 71.040 -7.132 6.632 1.00 0.00 C ATOM 474 OE1 GLU A 30 70.157 -6.946 7.453 1.00 0.00 O ATOM 475 OE2 GLU A 30 71.113 -6.545 5.565 1.00 0.00 O ATOM 0 H GLU A 30 69.430 -10.109 5.798 1.00 0.00 H new ATOM 0 HA GLU A 30 71.738 -8.919 4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 30 70.603 -9.688 7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 30 72.239 -10.315 7.148 1.00 0.00 H new ATOM 0 HG2 GLU A 30 72.428 -8.065 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 30 73.005 -7.988 6.349 1.00 0.00 H new ATOM 482 N ASP A 31 71.953 -12.159 4.931 1.00 0.00 N ATOM 483 CA ASP A 31 72.799 -13.307 4.504 1.00 0.00 C ATOM 484 C ASP A 31 73.144 -13.165 3.023 1.00 0.00 C ATOM 485 O ASP A 31 74.294 -13.038 2.648 1.00 0.00 O ATOM 486 CB ASP A 31 71.937 -14.547 4.741 1.00 0.00 C ATOM 487 CG ASP A 31 71.348 -14.498 6.151 1.00 0.00 C ATOM 488 OD1 ASP A 31 72.122 -14.461 7.094 1.00 0.00 O ATOM 489 OD2 ASP A 31 70.134 -14.498 6.265 1.00 0.00 O ATOM 0 H ASP A 31 71.059 -12.411 5.353 1.00 0.00 H new ATOM 0 HA ASP A 31 73.740 -13.362 5.052 1.00 0.00 H new ATOM 0 HB2 ASP A 31 71.137 -14.593 4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 31 72.537 -15.449 4.617 1.00 0.00 H new ATOM 494 N GLU A 32 72.151 -13.170 2.180 1.00 0.00 N ATOM 495 CA GLU A 32 72.417 -13.018 0.723 1.00 0.00 C ATOM 496 C GLU A 32 73.139 -11.695 0.475 1.00 0.00 C ATOM 497 O GLU A 32 74.005 -11.590 -0.374 1.00 0.00 O ATOM 498 CB GLU A 32 71.040 -13.017 0.063 1.00 0.00 C ATOM 499 CG GLU A 32 70.426 -14.416 0.154 1.00 0.00 C ATOM 500 CD GLU A 32 69.575 -14.519 1.421 1.00 0.00 C ATOM 501 OE1 GLU A 32 69.486 -13.533 2.133 1.00 0.00 O ATOM 502 OE2 GLU A 32 69.027 -15.584 1.657 1.00 0.00 O ATOM 0 H GLU A 32 71.169 -13.272 2.435 1.00 0.00 H new ATOM 0 HA GLU A 32 73.048 -13.812 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 32 70.391 -12.291 0.553 1.00 0.00 H new ATOM 0 HB3 GLU A 32 71.126 -12.714 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 32 69.813 -14.613 -0.725 1.00 0.00 H new ATOM 0 HG3 GLU A 32 71.213 -15.170 0.170 1.00 0.00 H new ATOM 509 N LEU A 33 72.806 -10.690 1.234 1.00 0.00 N ATOM 510 CA LEU A 33 73.486 -9.381 1.069 1.00 0.00 C ATOM 511 C LEU A 33 74.917 -9.526 1.559 1.00 0.00 C ATOM 512 O LEU A 33 75.827 -8.881 1.076 1.00 0.00 O ATOM 513 CB LEU A 33 72.706 -8.404 1.947 1.00 0.00 C ATOM 514 CG LEU A 33 71.373 -8.065 1.276 1.00 0.00 C ATOM 515 CD1 LEU A 33 70.297 -7.868 2.347 1.00 0.00 C ATOM 516 CD2 LEU A 33 71.525 -6.774 0.468 1.00 0.00 C ATOM 0 H LEU A 33 72.092 -10.720 1.961 1.00 0.00 H new ATOM 0 HA LEU A 33 73.514 -9.035 0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 33 72.529 -8.843 2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 33 73.288 -7.496 2.104 1.00 0.00 H new ATOM 0 HG LEU A 33 71.083 -8.880 0.613 1.00 0.00 H new ATOM 0 HD11 LEU A 33 69.348 -7.627 1.869 1.00 0.00 H new ATOM 0 HD12 LEU A 33 70.189 -8.785 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 33 70.588 -7.052 3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 33 70.577 -6.531 -0.011 1.00 0.00 H new ATOM 0 HD22 LEU A 33 71.815 -5.961 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 33 72.292 -6.910 -0.294 1.00 0.00 H new ATOM 528 N LYS A 34 75.123 -10.397 2.508 1.00 0.00 N ATOM 529 CA LYS A 34 76.495 -10.616 3.023 1.00 0.00 C ATOM 530 C LYS A 34 77.253 -11.487 2.028 1.00 0.00 C ATOM 531 O LYS A 34 78.463 -11.444 1.928 1.00 0.00 O ATOM 532 CB LYS A 34 76.321 -11.334 4.362 1.00 0.00 C ATOM 533 CG LYS A 34 77.689 -11.526 5.020 1.00 0.00 C ATOM 534 CD LYS A 34 78.045 -10.279 5.833 1.00 0.00 C ATOM 535 CE LYS A 34 78.329 -10.677 7.282 1.00 0.00 C ATOM 536 NZ LYS A 34 78.302 -9.399 8.045 1.00 0.00 N ATOM 0 H LYS A 34 74.398 -10.965 2.946 1.00 0.00 H new ATOM 0 HA LYS A 34 77.057 -9.691 3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 34 75.669 -10.754 5.016 1.00 0.00 H new ATOM 0 HB3 LYS A 34 75.841 -12.300 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 34 77.673 -12.403 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 34 78.448 -11.706 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 34 78.918 -9.788 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 34 77.225 -9.562 5.796 1.00 0.00 H new ATOM 0 HE2 LYS A 34 77.579 -11.375 7.654 1.00 0.00 H new ATOM 0 HE3 LYS A 34 79.296 -11.171 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 78.489 -9.591 9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 79.031 -8.757 7.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 77.367 -8.955 7.945 1.00 0.00 H new ATOM 550 N GLU A 35 76.529 -12.263 1.280 1.00 0.00 N ATOM 551 CA GLU A 35 77.162 -13.139 0.262 1.00 0.00 C ATOM 552 C GLU A 35 77.471 -12.318 -0.990 1.00 0.00 C ATOM 553 O GLU A 35 78.442 -12.555 -1.680 1.00 0.00 O ATOM 554 CB GLU A 35 76.121 -14.218 -0.040 1.00 0.00 C ATOM 555 CG GLU A 35 76.691 -15.209 -1.056 1.00 0.00 C ATOM 556 CD GLU A 35 75.923 -15.090 -2.373 1.00 0.00 C ATOM 557 OE1 GLU A 35 76.102 -14.092 -3.052 1.00 0.00 O ATOM 558 OE2 GLU A 35 75.168 -15.997 -2.681 1.00 0.00 O ATOM 0 H GLU A 35 75.512 -12.329 1.331 1.00 0.00 H new ATOM 0 HA GLU A 35 78.100 -13.576 0.605 1.00 0.00 H new ATOM 0 HB2 GLU A 35 75.846 -14.739 0.877 1.00 0.00 H new ATOM 0 HB3 GLU A 35 75.212 -13.762 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 35 77.750 -15.008 -1.221 1.00 0.00 H new ATOM 0 HG3 GLU A 35 76.616 -16.225 -0.670 1.00 0.00 H new ATOM 565 N VAL A 36 76.655 -11.339 -1.275 1.00 0.00 N ATOM 566 CA VAL A 36 76.902 -10.482 -2.467 1.00 0.00 C ATOM 567 C VAL A 36 77.930 -9.413 -2.104 1.00 0.00 C ATOM 568 O VAL A 36 78.763 -9.034 -2.904 1.00 0.00 O ATOM 569 CB VAL A 36 75.545 -9.846 -2.788 1.00 0.00 C ATOM 570 CG1 VAL A 36 75.745 -8.564 -3.604 1.00 0.00 C ATOM 571 CG2 VAL A 36 74.700 -10.830 -3.599 1.00 0.00 C ATOM 0 H VAL A 36 75.827 -11.096 -0.732 1.00 0.00 H new ATOM 0 HA VAL A 36 77.291 -11.037 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 36 75.038 -9.603 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 36 74.775 -8.120 -3.827 1.00 0.00 H new ATOM 0 HG12 VAL A 36 76.345 -7.857 -3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 36 76.258 -8.802 -4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 36 73.735 -10.378 -3.828 1.00 0.00 H new ATOM 0 HG22 VAL A 36 75.216 -11.073 -4.528 1.00 0.00 H new ATOM 0 HG23 VAL A 36 74.546 -11.741 -3.020 1.00 0.00 H new ATOM 581 N PHE A 37 77.872 -8.922 -0.897 1.00 0.00 N ATOM 582 CA PHE A 37 78.830 -7.880 -0.468 1.00 0.00 C ATOM 583 C PHE A 37 79.742 -8.420 0.637 1.00 0.00 C ATOM 584 O PHE A 37 79.657 -8.015 1.780 1.00 0.00 O ATOM 585 CB PHE A 37 77.943 -6.760 0.060 1.00 0.00 C ATOM 586 CG PHE A 37 77.437 -5.937 -1.098 1.00 0.00 C ATOM 587 CD1 PHE A 37 78.337 -5.444 -2.050 1.00 0.00 C ATOM 588 CD2 PHE A 37 76.069 -5.672 -1.224 1.00 0.00 C ATOM 589 CE1 PHE A 37 77.867 -4.686 -3.128 1.00 0.00 C ATOM 590 CE2 PHE A 37 75.599 -4.914 -2.302 1.00 0.00 C ATOM 591 CZ PHE A 37 76.499 -4.420 -3.255 1.00 0.00 C ATOM 0 H PHE A 37 77.195 -9.204 -0.188 1.00 0.00 H new ATOM 0 HA PHE A 37 79.486 -7.547 -1.273 1.00 0.00 H new ATOM 0 HB2 PHE A 37 77.105 -7.177 0.618 1.00 0.00 H new ATOM 0 HB3 PHE A 37 78.505 -6.131 0.750 1.00 0.00 H new ATOM 0 HD1 PHE A 37 79.393 -5.648 -1.953 1.00 0.00 H new ATOM 0 HD2 PHE A 37 75.376 -6.053 -0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 37 78.561 -4.306 -3.863 1.00 0.00 H new ATOM 0 HE2 PHE A 37 74.543 -4.710 -2.399 1.00 0.00 H new ATOM 0 HZ PHE A 37 76.137 -3.834 -4.087 1.00 0.00 H new ATOM 601 N GLU A 38 80.611 -9.334 0.306 1.00 0.00 N ATOM 602 CA GLU A 38 81.527 -9.904 1.338 1.00 0.00 C ATOM 603 C GLU A 38 82.735 -8.986 1.549 1.00 0.00 C ATOM 604 O GLU A 38 83.717 -9.368 2.155 1.00 0.00 O ATOM 605 CB GLU A 38 81.972 -11.252 0.769 1.00 0.00 C ATOM 606 CG GLU A 38 81.072 -12.361 1.318 1.00 0.00 C ATOM 607 CD GLU A 38 81.754 -13.716 1.120 1.00 0.00 C ATOM 608 OE1 GLU A 38 82.972 -13.740 1.051 1.00 0.00 O ATOM 609 OE2 GLU A 38 81.047 -14.707 1.041 1.00 0.00 O ATOM 0 H GLU A 38 80.728 -9.712 -0.634 1.00 0.00 H new ATOM 0 HA GLU A 38 81.039 -10.008 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 38 81.921 -11.234 -0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 38 83.011 -11.446 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 38 80.874 -12.193 2.377 1.00 0.00 H new ATOM 0 HG3 GLU A 38 80.109 -12.349 0.808 1.00 0.00 H new ATOM 616 N ASP A 39 82.674 -7.779 1.057 1.00 0.00 N ATOM 617 CA ASP A 39 83.822 -6.843 1.233 1.00 0.00 C ATOM 618 C ASP A 39 83.363 -5.568 1.945 1.00 0.00 C ATOM 619 O ASP A 39 84.019 -4.547 1.892 1.00 0.00 O ATOM 620 CB ASP A 39 84.295 -6.524 -0.186 1.00 0.00 C ATOM 621 CG ASP A 39 85.821 -6.408 -0.202 1.00 0.00 C ATOM 622 OD1 ASP A 39 86.409 -6.440 0.866 1.00 0.00 O ATOM 623 OD2 ASP A 39 86.373 -6.290 -1.282 1.00 0.00 O ATOM 0 H ASP A 39 81.880 -7.400 0.541 1.00 0.00 H new ATOM 0 HA ASP A 39 84.617 -7.276 1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 39 83.972 -7.306 -0.873 1.00 0.00 H new ATOM 0 HB3 ASP A 39 83.845 -5.592 -0.530 1.00 0.00 H new ATOM 628 N ALA A 40 82.242 -5.619 2.612 1.00 0.00 N ATOM 629 CA ALA A 40 81.749 -4.406 3.324 1.00 0.00 C ATOM 630 C ALA A 40 81.772 -4.634 4.839 1.00 0.00 C ATOM 631 O ALA A 40 82.074 -5.712 5.310 1.00 0.00 O ATOM 632 CB ALA A 40 80.315 -4.213 2.832 1.00 0.00 C ATOM 0 H ALA A 40 81.649 -6.444 2.694 1.00 0.00 H new ATOM 0 HA ALA A 40 82.369 -3.531 3.126 1.00 0.00 H new ATOM 0 HB1 ALA A 40 79.881 -3.336 3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 40 80.317 -4.072 1.751 1.00 0.00 H new ATOM 0 HB3 ALA A 40 79.723 -5.094 3.081 1.00 0.00 H new ATOM 638 N LEU A 41 81.456 -3.625 5.605 1.00 0.00 N ATOM 639 CA LEU A 41 81.460 -3.778 7.082 1.00 0.00 C ATOM 640 C LEU A 41 80.179 -4.470 7.541 1.00 0.00 C ATOM 641 O LEU A 41 80.206 -5.397 8.326 1.00 0.00 O ATOM 642 CB LEU A 41 81.515 -2.353 7.632 1.00 0.00 C ATOM 643 CG LEU A 41 82.649 -1.583 6.958 1.00 0.00 C ATOM 644 CD1 LEU A 41 82.451 -0.084 7.189 1.00 0.00 C ATOM 645 CD2 LEU A 41 83.986 -2.020 7.560 1.00 0.00 C ATOM 0 H LEU A 41 81.195 -2.699 5.267 1.00 0.00 H new ATOM 0 HA LEU A 41 82.298 -4.383 7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 41 80.565 -1.848 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 41 81.669 -2.375 8.711 1.00 0.00 H new ATOM 0 HG LEU A 41 82.647 -1.790 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 41 83.259 0.468 6.709 1.00 0.00 H new ATOM 0 HD12 LEU A 41 81.497 0.227 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 41 82.456 0.123 8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 41 84.797 -1.472 7.081 1.00 0.00 H new ATOM 0 HD22 LEU A 41 83.989 -1.811 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 41 84.125 -3.089 7.399 1.00 0.00 H new ATOM 657 N GLU A 42 79.054 -4.020 7.059 1.00 0.00 N ATOM 658 CA GLU A 42 77.765 -4.647 7.470 1.00 0.00 C ATOM 659 C GLU A 42 76.655 -4.294 6.479 1.00 0.00 C ATOM 660 O GLU A 42 76.773 -3.371 5.696 1.00 0.00 O ATOM 661 CB GLU A 42 77.462 -4.055 8.846 1.00 0.00 C ATOM 662 CG GLU A 42 78.174 -4.875 9.922 1.00 0.00 C ATOM 663 CD GLU A 42 77.205 -5.162 11.071 1.00 0.00 C ATOM 664 OE1 GLU A 42 76.445 -4.272 11.413 1.00 0.00 O ATOM 665 OE2 GLU A 42 77.240 -6.266 11.586 1.00 0.00 O ATOM 0 H GLU A 42 78.971 -3.247 6.399 1.00 0.00 H new ATOM 0 HA GLU A 42 77.827 -5.735 7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 42 77.791 -3.017 8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 42 76.387 -4.056 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 42 78.540 -5.810 9.499 1.00 0.00 H new ATOM 0 HG3 GLU A 42 79.043 -4.332 10.293 1.00 0.00 H new ATOM 672 N ILE A 43 75.575 -5.025 6.511 1.00 0.00 N ATOM 673 CA ILE A 43 74.453 -4.740 5.576 1.00 0.00 C ATOM 674 C ILE A 43 73.117 -4.759 6.322 1.00 0.00 C ATOM 675 O ILE A 43 72.927 -5.502 7.264 1.00 0.00 O ATOM 676 CB ILE A 43 74.500 -5.865 4.545 1.00 0.00 C ATOM 677 CG1 ILE A 43 75.810 -5.775 3.757 1.00 0.00 C ATOM 678 CG2 ILE A 43 73.312 -5.730 3.592 1.00 0.00 C ATOM 679 CD1 ILE A 43 75.769 -6.744 2.573 1.00 0.00 C ATOM 0 H ILE A 43 75.422 -5.809 7.146 1.00 0.00 H new ATOM 0 HA ILE A 43 74.545 -3.756 5.115 1.00 0.00 H new ATOM 0 HB ILE A 43 74.448 -6.830 5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 43 75.961 -4.756 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 43 76.653 -6.014 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 43 73.344 -6.532 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 43 72.383 -5.794 4.158 1.00 0.00 H new ATOM 0 HG23 ILE A 43 73.362 -4.768 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 43 76.703 -6.677 2.015 1.00 0.00 H new ATOM 0 HD12 ILE A 43 75.638 -7.762 2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 43 74.936 -6.485 1.919 1.00 0.00 H new ATOM 691 N ARG A 44 72.193 -3.943 5.902 1.00 0.00 N ATOM 692 CA ARG A 44 70.869 -3.894 6.568 1.00 0.00 C ATOM 693 C ARG A 44 69.772 -4.014 5.499 1.00 0.00 C ATOM 694 O ARG A 44 70.028 -3.865 4.321 1.00 0.00 O ATOM 695 CB ARG A 44 70.871 -2.526 7.272 1.00 0.00 C ATOM 696 CG ARG A 44 69.513 -1.828 7.148 1.00 0.00 C ATOM 697 CD ARG A 44 68.528 -2.446 8.144 1.00 0.00 C ATOM 698 NE ARG A 44 68.604 -1.575 9.349 1.00 0.00 N ATOM 699 CZ ARG A 44 67.981 -1.918 10.443 1.00 0.00 C ATOM 700 NH1 ARG A 44 66.724 -2.266 10.396 1.00 0.00 N ATOM 701 NH2 ARG A 44 68.615 -1.913 11.583 1.00 0.00 N ATOM 0 H ARG A 44 72.303 -3.302 5.116 1.00 0.00 H new ATOM 0 HA ARG A 44 70.683 -4.699 7.279 1.00 0.00 H new ATOM 0 HB2 ARG A 44 71.118 -2.658 8.325 1.00 0.00 H new ATOM 0 HB3 ARG A 44 71.647 -1.894 6.839 1.00 0.00 H new ATOM 0 HG2 ARG A 44 69.622 -0.761 7.342 1.00 0.00 H new ATOM 0 HG3 ARG A 44 69.131 -1.930 6.132 1.00 0.00 H new ATOM 0 HD2 ARG A 44 67.517 -2.470 7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 44 68.800 -3.474 8.382 1.00 0.00 H new ATOM 0 HE ARG A 44 69.143 -0.710 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 44 66.229 -2.270 9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 44 66.237 -2.534 11.251 1.00 0.00 H new ATOM 0 HH21 ARG A 44 69.597 -1.641 11.619 1.00 0.00 H new ATOM 0 HH22 ARG A 44 68.128 -2.181 12.438 1.00 0.00 H new ATOM 715 N LEU A 45 68.557 -4.279 5.896 1.00 0.00 N ATOM 716 CA LEU A 45 67.463 -4.408 4.890 1.00 0.00 C ATOM 717 C LEU A 45 66.560 -3.176 4.931 1.00 0.00 C ATOM 718 O LEU A 45 66.606 -2.393 5.859 1.00 0.00 O ATOM 719 CB LEU A 45 66.686 -5.657 5.302 1.00 0.00 C ATOM 720 CG LEU A 45 65.677 -6.008 4.207 1.00 0.00 C ATOM 721 CD1 LEU A 45 66.418 -6.276 2.896 1.00 0.00 C ATOM 722 CD2 LEU A 45 64.899 -7.259 4.617 1.00 0.00 C ATOM 0 H LEU A 45 68.275 -4.411 6.867 1.00 0.00 H new ATOM 0 HA LEU A 45 67.847 -4.487 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 45 67.371 -6.490 5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 45 66.170 -5.483 6.246 1.00 0.00 H new ATOM 0 HG LEU A 45 64.986 -5.177 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 45 65.699 -6.526 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 45 66.975 -5.386 2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 45 67.109 -7.108 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 45 64.179 -7.511 3.838 1.00 0.00 H new ATOM 0 HD22 LEU A 45 65.591 -8.090 4.754 1.00 0.00 H new ATOM 0 HD23 LEU A 45 64.371 -7.069 5.551 1.00 0.00 H new ATOM 734 N VAL A 46 65.742 -2.994 3.932 1.00 0.00 N ATOM 735 CA VAL A 46 64.847 -1.805 3.921 1.00 0.00 C ATOM 736 C VAL A 46 63.605 -2.063 3.060 1.00 0.00 C ATOM 737 O VAL A 46 63.675 -2.639 1.981 1.00 0.00 O ATOM 738 CB VAL A 46 65.698 -0.684 3.331 1.00 0.00 C ATOM 739 CG1 VAL A 46 64.855 0.585 3.211 1.00 0.00 C ATOM 740 CG2 VAL A 46 66.892 -0.419 4.251 1.00 0.00 C ATOM 0 H VAL A 46 65.655 -3.614 3.127 1.00 0.00 H new ATOM 0 HA VAL A 46 64.478 -1.559 4.917 1.00 0.00 H new ATOM 0 HB VAL A 46 66.055 -0.976 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.462 1.386 2.790 1.00 0.00 H new ATOM 0 HG12 VAL A 46 64.002 0.395 2.560 1.00 0.00 H new ATOM 0 HG13 VAL A 46 64.499 0.880 4.198 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.503 0.381 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 46 66.533 -0.124 5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 46 67.492 -1.325 4.339 1.00 0.00 H new ATOM 750 N SER A 47 62.465 -1.635 3.542 1.00 0.00 N ATOM 751 CA SER A 47 61.195 -1.835 2.788 1.00 0.00 C ATOM 752 C SER A 47 60.628 -0.488 2.338 1.00 0.00 C ATOM 753 O SER A 47 61.287 0.531 2.409 1.00 0.00 O ATOM 754 CB SER A 47 60.251 -2.506 3.785 1.00 0.00 C ATOM 755 OG SER A 47 60.350 -1.847 5.041 1.00 0.00 O ATOM 0 H SER A 47 62.362 -1.151 4.434 1.00 0.00 H new ATOM 0 HA SER A 47 61.337 -2.434 1.889 1.00 0.00 H new ATOM 0 HB2 SER A 47 59.225 -2.463 3.418 1.00 0.00 H new ATOM 0 HB3 SER A 47 60.507 -3.560 3.893 1.00 0.00 H new ATOM 0 HG SER A 47 59.745 -2.274 5.683 1.00 0.00 H new ATOM 819 N SER A 52 58.091 -5.249 2.826 1.00 0.00 N ATOM 820 CA SER A 52 59.394 -5.411 2.127 1.00 0.00 C ATOM 821 C SER A 52 59.319 -4.819 0.718 1.00 0.00 C ATOM 822 O SER A 52 58.366 -5.021 -0.005 1.00 0.00 O ATOM 823 CB SER A 52 59.623 -6.916 2.065 1.00 0.00 C ATOM 824 OG SER A 52 61.006 -7.189 2.255 1.00 0.00 O ATOM 0 HA SER A 52 60.205 -4.896 2.642 1.00 0.00 H new ATOM 0 HB2 SER A 52 59.033 -7.417 2.832 1.00 0.00 H new ATOM 0 HB3 SER A 52 59.292 -7.306 1.103 1.00 0.00 H new ATOM 0 HG SER A 52 61.157 -8.157 2.217 1.00 0.00 H new ATOM 830 N LYS A 53 60.324 -4.094 0.328 1.00 0.00 N ATOM 831 CA LYS A 53 60.329 -3.489 -1.033 1.00 0.00 C ATOM 832 C LYS A 53 61.591 -3.921 -1.777 1.00 0.00 C ATOM 833 O LYS A 53 61.756 -3.657 -2.951 1.00 0.00 O ATOM 834 CB LYS A 53 60.332 -1.979 -0.798 1.00 0.00 C ATOM 835 CG LYS A 53 59.445 -1.297 -1.841 1.00 0.00 C ATOM 836 CD LYS A 53 60.186 -1.228 -3.177 1.00 0.00 C ATOM 837 CE LYS A 53 59.364 -0.413 -4.178 1.00 0.00 C ATOM 838 NZ LYS A 53 59.462 -1.165 -5.459 1.00 0.00 N ATOM 0 H LYS A 53 61.148 -3.892 0.894 1.00 0.00 H new ATOM 0 HA LYS A 53 59.474 -3.799 -1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 53 59.969 -1.756 0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 53 61.349 -1.593 -0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 53 58.513 -1.850 -1.958 1.00 0.00 H new ATOM 0 HG3 LYS A 53 59.180 -0.293 -1.508 1.00 0.00 H new ATOM 0 HD2 LYS A 53 61.166 -0.771 -3.038 1.00 0.00 H new ATOM 0 HD3 LYS A 53 60.355 -2.233 -3.563 1.00 0.00 H new ATOM 0 HE2 LYS A 53 58.328 -0.319 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 53 59.758 0.598 -4.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 58.922 -0.667 -6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 60.459 -1.233 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 59.073 -2.121 -5.331 1.00 0.00 H new ATOM 852 N GLY A 54 62.485 -4.587 -1.097 1.00 0.00 N ATOM 853 CA GLY A 54 63.734 -5.040 -1.755 1.00 0.00 C ATOM 854 C GLY A 54 64.832 -3.997 -1.543 1.00 0.00 C ATOM 855 O GLY A 54 65.740 -3.874 -2.342 1.00 0.00 O ATOM 0 H GLY A 54 62.400 -4.835 -0.111 1.00 0.00 H new ATOM 0 HA2 GLY A 54 64.046 -6.000 -1.344 1.00 0.00 H new ATOM 0 HA3 GLY A 54 63.562 -5.190 -2.821 1.00 0.00 H new ATOM 859 N ILE A 55 64.773 -3.245 -0.473 1.00 0.00 N ATOM 860 CA ILE A 55 65.832 -2.227 -0.238 1.00 0.00 C ATOM 861 C ILE A 55 66.731 -2.684 0.912 1.00 0.00 C ATOM 862 O ILE A 55 66.369 -3.552 1.679 1.00 0.00 O ATOM 863 CB ILE A 55 65.081 -0.945 0.123 1.00 0.00 C ATOM 864 CG1 ILE A 55 63.922 -0.743 -0.856 1.00 0.00 C ATOM 865 CG2 ILE A 55 66.034 0.246 0.032 1.00 0.00 C ATOM 866 CD1 ILE A 55 63.102 0.476 -0.431 1.00 0.00 C ATOM 0 H ILE A 55 64.044 -3.293 0.239 1.00 0.00 H new ATOM 0 HA ILE A 55 66.475 -2.076 -1.105 1.00 0.00 H new ATOM 0 HB ILE A 55 64.693 -1.024 1.138 1.00 0.00 H new ATOM 0 HG12 ILE A 55 64.306 -0.602 -1.866 1.00 0.00 H new ATOM 0 HG13 ILE A 55 63.290 -1.631 -0.876 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.499 1.160 0.289 1.00 0.00 H new ATOM 0 HG22 ILE A 55 66.863 0.103 0.726 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.421 0.326 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 55 62.276 0.620 -1.128 1.00 0.00 H new ATOM 0 HD12 ILE A 55 62.706 0.317 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 55 63.738 1.361 -0.434 1.00 0.00 H new ATOM 878 N ALA A 56 67.903 -2.124 1.038 1.00 0.00 N ATOM 879 CA ALA A 56 68.808 -2.553 2.143 1.00 0.00 C ATOM 880 C ALA A 56 69.945 -1.545 2.330 1.00 0.00 C ATOM 881 O ALA A 56 70.395 -0.921 1.389 1.00 0.00 O ATOM 882 CB ALA A 56 69.362 -3.905 1.694 1.00 0.00 C ATOM 0 H ALA A 56 68.271 -1.393 0.429 1.00 0.00 H new ATOM 0 HA ALA A 56 68.287 -2.617 3.098 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.040 -4.291 2.455 1.00 0.00 H new ATOM 0 HB2 ALA A 56 68.540 -4.606 1.551 1.00 0.00 H new ATOM 0 HB3 ALA A 56 69.902 -3.783 0.755 1.00 0.00 H new ATOM 888 N TYR A 57 70.418 -1.391 3.536 1.00 0.00 N ATOM 889 CA TYR A 57 71.536 -0.434 3.783 1.00 0.00 C ATOM 890 C TYR A 57 72.856 -1.202 3.853 1.00 0.00 C ATOM 891 O TYR A 57 73.047 -2.045 4.703 1.00 0.00 O ATOM 892 CB TYR A 57 71.218 0.214 5.132 1.00 0.00 C ATOM 893 CG TYR A 57 70.825 1.656 4.918 1.00 0.00 C ATOM 894 CD1 TYR A 57 71.611 2.483 4.106 1.00 0.00 C ATOM 895 CD2 TYR A 57 69.675 2.167 5.533 1.00 0.00 C ATOM 896 CE1 TYR A 57 71.246 3.820 3.910 1.00 0.00 C ATOM 897 CE2 TYR A 57 69.311 3.504 5.336 1.00 0.00 C ATOM 898 CZ TYR A 57 70.096 4.331 4.524 1.00 0.00 C ATOM 899 OH TYR A 57 69.737 5.650 4.330 1.00 0.00 O ATOM 0 H TYR A 57 70.080 -1.886 4.361 1.00 0.00 H new ATOM 0 HA TYR A 57 71.633 0.312 2.994 1.00 0.00 H new ATOM 0 HB2 TYR A 57 70.409 -0.325 5.625 1.00 0.00 H new ATOM 0 HB3 TYR A 57 72.086 0.156 5.789 1.00 0.00 H new ATOM 0 HD1 TYR A 57 72.498 2.090 3.632 1.00 0.00 H new ATOM 0 HD2 TYR A 57 69.069 1.529 6.159 1.00 0.00 H new ATOM 0 HE1 TYR A 57 71.852 4.458 3.284 1.00 0.00 H new ATOM 0 HE2 TYR A 57 68.424 3.898 5.811 1.00 0.00 H new ATOM 0 HH TYR A 57 68.914 5.841 4.826 1.00 0.00 H new ATOM 909 N ILE A 58 73.767 -0.933 2.961 1.00 0.00 N ATOM 910 CA ILE A 58 75.060 -1.672 2.983 1.00 0.00 C ATOM 911 C ILE A 58 76.225 -0.697 3.158 1.00 0.00 C ATOM 912 O ILE A 58 76.397 0.227 2.387 1.00 0.00 O ATOM 913 CB ILE A 58 75.114 -2.364 1.622 1.00 0.00 C ATOM 914 CG1 ILE A 58 73.827 -3.163 1.411 1.00 0.00 C ATOM 915 CG2 ILE A 58 76.314 -3.306 1.558 1.00 0.00 C ATOM 916 CD1 ILE A 58 73.813 -3.741 -0.004 1.00 0.00 C ATOM 0 H ILE A 58 73.674 -0.237 2.221 1.00 0.00 H new ATOM 0 HA ILE A 58 75.134 -2.381 3.807 1.00 0.00 H new ATOM 0 HB ILE A 58 75.214 -1.610 0.841 1.00 0.00 H new ATOM 0 HG12 ILE A 58 73.761 -3.967 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 58 72.959 -2.521 1.562 1.00 0.00 H new ATOM 0 HG21 ILE A 58 76.342 -3.794 0.584 1.00 0.00 H new ATOM 0 HG22 ILE A 58 77.232 -2.737 1.706 1.00 0.00 H new ATOM 0 HG23 ILE A 58 76.226 -4.061 2.339 1.00 0.00 H new ATOM 0 HD11 ILE A 58 72.896 -4.311 -0.155 1.00 0.00 H new ATOM 0 HD12 ILE A 58 73.859 -2.929 -0.729 1.00 0.00 H new ATOM 0 HD13 ILE A 58 74.674 -4.396 -0.138 1.00 0.00 H new ATOM 928 N GLU A 59 77.028 -0.893 4.172 1.00 0.00 N ATOM 929 CA GLU A 59 78.180 0.027 4.399 1.00 0.00 C ATOM 930 C GLU A 59 79.498 -0.736 4.258 1.00 0.00 C ATOM 931 O GLU A 59 79.670 -1.805 4.809 1.00 0.00 O ATOM 932 CB GLU A 59 78.005 0.550 5.828 1.00 0.00 C ATOM 933 CG GLU A 59 77.557 -0.588 6.750 1.00 0.00 C ATOM 934 CD GLU A 59 78.161 -0.386 8.142 1.00 0.00 C ATOM 935 OE1 GLU A 59 79.321 -0.015 8.214 1.00 0.00 O ATOM 936 OE2 GLU A 59 77.454 -0.606 9.111 1.00 0.00 O ATOM 0 H GLU A 59 76.935 -1.649 4.851 1.00 0.00 H new ATOM 0 HA GLU A 59 78.206 0.841 3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 59 78.943 0.972 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 59 77.268 1.353 5.843 1.00 0.00 H new ATOM 0 HG2 GLU A 59 76.469 -0.611 6.814 1.00 0.00 H new ATOM 0 HG3 GLU A 59 77.873 -1.548 6.341 1.00 0.00 H new ATOM 943 N PHE A 60 80.429 -0.199 3.518 1.00 0.00 N ATOM 944 CA PHE A 60 81.731 -0.900 3.339 1.00 0.00 C ATOM 945 C PHE A 60 82.826 -0.224 4.163 1.00 0.00 C ATOM 946 O PHE A 60 82.612 0.798 4.785 1.00 0.00 O ATOM 947 CB PHE A 60 82.036 -0.795 1.848 1.00 0.00 C ATOM 948 CG PHE A 60 80.967 -1.525 1.072 1.00 0.00 C ATOM 949 CD1 PHE A 60 79.662 -1.023 1.038 1.00 0.00 C ATOM 950 CD2 PHE A 60 81.280 -2.708 0.392 1.00 0.00 C ATOM 951 CE1 PHE A 60 78.670 -1.703 0.325 1.00 0.00 C ATOM 952 CE2 PHE A 60 80.286 -3.389 -0.321 1.00 0.00 C ATOM 953 CZ PHE A 60 78.981 -2.885 -0.355 1.00 0.00 C ATOM 0 H PHE A 60 80.344 0.693 3.031 1.00 0.00 H new ATOM 0 HA PHE A 60 81.686 -1.936 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 60 82.072 0.251 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 60 83.015 -1.223 1.633 1.00 0.00 H new ATOM 0 HD1 PHE A 60 79.421 -0.110 1.562 1.00 0.00 H new ATOM 0 HD2 PHE A 60 82.288 -3.095 0.417 1.00 0.00 H new ATOM 0 HE1 PHE A 60 77.662 -1.315 0.299 1.00 0.00 H new ATOM 0 HE2 PHE A 60 80.526 -4.303 -0.844 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.214 -3.409 -0.906 1.00 0.00 H new ATOM 963 N LYS A 61 83.998 -0.792 4.171 1.00 0.00 N ATOM 964 CA LYS A 61 85.117 -0.193 4.955 1.00 0.00 C ATOM 965 C LYS A 61 85.392 1.235 4.481 1.00 0.00 C ATOM 966 O LYS A 61 86.013 2.020 5.169 1.00 0.00 O ATOM 967 CB LYS A 61 86.322 -1.092 4.677 1.00 0.00 C ATOM 968 CG LYS A 61 86.151 -2.420 5.418 1.00 0.00 C ATOM 969 CD LYS A 61 87.192 -3.423 4.917 1.00 0.00 C ATOM 970 CE LYS A 61 87.656 -4.301 6.081 1.00 0.00 C ATOM 971 NZ LYS A 61 88.692 -5.198 5.496 1.00 0.00 N ATOM 0 H LYS A 61 84.232 -1.648 3.668 1.00 0.00 H new ATOM 0 HA LYS A 61 84.889 -0.135 6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 61 86.416 -1.271 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 61 87.239 -0.599 5.000 1.00 0.00 H new ATOM 0 HG2 LYS A 61 86.265 -2.267 6.491 1.00 0.00 H new ATOM 0 HG3 LYS A 61 85.147 -2.812 5.257 1.00 0.00 H new ATOM 0 HD2 LYS A 61 86.766 -4.042 4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 61 88.042 -2.896 4.484 1.00 0.00 H new ATOM 0 HE2 LYS A 61 88.067 -3.698 6.891 1.00 0.00 H new ATOM 0 HE3 LYS A 61 86.828 -4.874 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 89.059 -5.832 6.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 88.270 -5.764 4.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 89.471 -4.625 5.113 1.00 0.00 H new ATOM 985 N SER A 62 84.935 1.575 3.310 1.00 0.00 N ATOM 986 CA SER A 62 85.168 2.952 2.789 1.00 0.00 C ATOM 987 C SER A 62 84.528 3.104 1.409 1.00 0.00 C ATOM 988 O SER A 62 84.012 2.159 0.846 1.00 0.00 O ATOM 989 CB SER A 62 86.687 3.087 2.694 1.00 0.00 C ATOM 990 OG SER A 62 87.264 1.798 2.528 1.00 0.00 O ATOM 0 H SER A 62 84.409 0.959 2.689 1.00 0.00 H new ATOM 0 HA SER A 62 84.732 3.718 3.430 1.00 0.00 H new ATOM 0 HB2 SER A 62 86.955 3.729 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 62 87.079 3.560 3.595 1.00 0.00 H new ATOM 0 HG SER A 62 88.238 1.881 2.465 1.00 0.00 H new ATOM 996 N GLU A 63 84.555 4.286 0.859 1.00 0.00 N ATOM 997 CA GLU A 63 83.946 4.491 -0.485 1.00 0.00 C ATOM 998 C GLU A 63 84.621 3.582 -1.514 1.00 0.00 C ATOM 999 O GLU A 63 83.995 3.109 -2.441 1.00 0.00 O ATOM 1000 CB GLU A 63 84.198 5.962 -0.816 1.00 0.00 C ATOM 1001 CG GLU A 63 83.961 6.198 -2.310 1.00 0.00 C ATOM 1002 CD GLU A 63 84.180 7.677 -2.634 1.00 0.00 C ATOM 1003 OE1 GLU A 63 83.669 8.506 -1.899 1.00 0.00 O ATOM 1004 OE2 GLU A 63 84.853 7.955 -3.612 1.00 0.00 O ATOM 0 H GLU A 63 84.971 5.117 1.280 1.00 0.00 H new ATOM 0 HA GLU A 63 82.883 4.250 -0.499 1.00 0.00 H new ATOM 0 HB2 GLU A 63 83.536 6.597 -0.227 1.00 0.00 H new ATOM 0 HB3 GLU A 63 85.219 6.235 -0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 63 84.640 5.581 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 63 82.947 5.902 -2.579 1.00 0.00 H new ATOM 1011 N ALA A 64 85.892 3.330 -1.357 1.00 0.00 N ATOM 1012 CA ALA A 64 86.597 2.451 -2.326 1.00 0.00 C ATOM 1013 C ALA A 64 86.036 1.033 -2.242 1.00 0.00 C ATOM 1014 O ALA A 64 85.761 0.402 -3.243 1.00 0.00 O ATOM 1015 CB ALA A 64 88.065 2.479 -1.899 1.00 0.00 C ATOM 0 H ALA A 64 86.470 3.695 -0.600 1.00 0.00 H new ATOM 0 HA ALA A 64 86.473 2.784 -3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 64 88.651 1.851 -2.570 1.00 0.00 H new ATOM 0 HB2 ALA A 64 88.437 3.503 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 64 88.155 2.104 -0.880 1.00 0.00 H new ATOM 1021 N ASP A 65 85.848 0.533 -1.053 1.00 0.00 N ATOM 1022 CA ASP A 65 85.287 -0.837 -0.909 1.00 0.00 C ATOM 1023 C ASP A 65 83.837 -0.836 -1.391 1.00 0.00 C ATOM 1024 O ASP A 65 83.432 -1.657 -2.191 1.00 0.00 O ATOM 1025 CB ASP A 65 85.358 -1.145 0.588 1.00 0.00 C ATOM 1026 CG ASP A 65 86.729 -1.738 0.924 1.00 0.00 C ATOM 1027 OD1 ASP A 65 87.706 -1.016 0.820 1.00 0.00 O ATOM 1028 OD2 ASP A 65 86.777 -2.905 1.277 1.00 0.00 O ATOM 0 H ASP A 65 86.058 1.013 -0.178 1.00 0.00 H new ATOM 0 HA ASP A 65 85.829 -1.580 -1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 65 85.192 -0.235 1.165 1.00 0.00 H new ATOM 0 HB3 ASP A 65 84.570 -1.846 0.864 1.00 0.00 H new ATOM 1033 N ALA A 66 83.058 0.097 -0.917 1.00 0.00 N ATOM 1034 CA ALA A 66 81.636 0.175 -1.349 1.00 0.00 C ATOM 1035 C ALA A 66 81.557 0.481 -2.848 1.00 0.00 C ATOM 1036 O ALA A 66 80.658 0.035 -3.533 1.00 0.00 O ATOM 1037 CB ALA A 66 81.042 1.319 -0.530 1.00 0.00 C ATOM 0 H ALA A 66 83.347 0.810 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 66 81.099 -0.760 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 66 79.991 1.444 -0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 66 81.129 1.090 0.532 1.00 0.00 H new ATOM 0 HB3 ALA A 66 81.581 2.241 -0.748 1.00 0.00 H new ATOM 1043 N GLU A 67 82.492 1.234 -3.366 1.00 0.00 N ATOM 1044 CA GLU A 67 82.463 1.555 -4.820 1.00 0.00 C ATOM 1045 C GLU A 67 82.790 0.303 -5.635 1.00 0.00 C ATOM 1046 O GLU A 67 82.072 -0.068 -6.543 1.00 0.00 O ATOM 1047 CB GLU A 67 83.540 2.621 -5.022 1.00 0.00 C ATOM 1048 CG GLU A 67 82.964 3.999 -4.687 1.00 0.00 C ATOM 1049 CD GLU A 67 82.886 4.843 -5.961 1.00 0.00 C ATOM 1050 OE1 GLU A 67 82.990 4.272 -7.035 1.00 0.00 O ATOM 1051 OE2 GLU A 67 82.725 6.047 -5.842 1.00 0.00 O ATOM 0 H GLU A 67 83.271 1.638 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 67 81.484 1.907 -5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 67 84.399 2.410 -4.386 1.00 0.00 H new ATOM 0 HB3 GLU A 67 83.895 2.604 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 67 81.972 3.893 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 67 83.590 4.496 -3.946 1.00 0.00 H new ATOM 1058 N LYS A 68 83.867 -0.358 -5.309 1.00 0.00 N ATOM 1059 CA LYS A 68 84.237 -1.592 -6.057 1.00 0.00 C ATOM 1060 C LYS A 68 83.136 -2.638 -5.892 1.00 0.00 C ATOM 1061 O LYS A 68 82.799 -3.353 -6.815 1.00 0.00 O ATOM 1062 CB LYS A 68 85.538 -2.072 -5.415 1.00 0.00 C ATOM 1063 CG LYS A 68 85.972 -3.389 -6.062 1.00 0.00 C ATOM 1064 CD LYS A 68 85.426 -4.564 -5.247 1.00 0.00 C ATOM 1065 CE LYS A 68 85.910 -5.880 -5.860 1.00 0.00 C ATOM 1066 NZ LYS A 68 87.304 -6.046 -5.361 1.00 0.00 N ATOM 0 H LYS A 68 84.506 -0.097 -4.558 1.00 0.00 H new ATOM 0 HA LYS A 68 84.359 -1.415 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 68 86.317 -1.319 -5.540 1.00 0.00 H new ATOM 0 HB3 LYS A 68 85.397 -2.210 -4.343 1.00 0.00 H new ATOM 0 HG2 LYS A 68 85.604 -3.441 -7.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 87.060 -3.441 -6.111 1.00 0.00 H new ATOM 0 HD2 LYS A 68 85.759 -4.488 -4.212 1.00 0.00 H new ATOM 0 HD3 LYS A 68 84.336 -4.536 -5.234 1.00 0.00 H new ATOM 0 HE2 LYS A 68 85.279 -6.714 -5.554 1.00 0.00 H new ATOM 0 HE3 LYS A 68 85.882 -5.842 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 87.931 -6.286 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 87.624 -5.158 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 87.331 -6.809 -4.655 1.00 0.00 H new ATOM 1080 N ASN A 69 82.565 -2.724 -4.722 1.00 0.00 N ATOM 1081 CA ASN A 69 81.480 -3.715 -4.498 1.00 0.00 C ATOM 1082 C ASN A 69 80.185 -3.213 -5.137 1.00 0.00 C ATOM 1083 O ASN A 69 79.554 -3.905 -5.909 1.00 0.00 O ATOM 1084 CB ASN A 69 81.338 -3.804 -2.980 1.00 0.00 C ATOM 1085 CG ASN A 69 82.068 -5.048 -2.472 1.00 0.00 C ATOM 1086 OD1 ASN A 69 81.478 -5.895 -1.831 1.00 0.00 O ATOM 1087 ND2 ASN A 69 83.338 -5.196 -2.736 1.00 0.00 N ATOM 0 H ASN A 69 82.804 -2.150 -3.913 1.00 0.00 H new ATOM 0 HA ASN A 69 81.698 -4.687 -4.939 1.00 0.00 H new ATOM 0 HB2 ASN A 69 81.751 -2.910 -2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 69 80.284 -3.850 -2.705 1.00 0.00 H new ATOM 0 HD21 ASN A 69 83.835 -6.023 -2.404 1.00 0.00 H new ATOM 0 HD22 ASN A 69 83.833 -4.485 -3.274 1.00 0.00 H new ATOM 1094 N LEU A 70 79.789 -2.008 -4.828 1.00 0.00 N ATOM 1095 CA LEU A 70 78.540 -1.461 -5.428 1.00 0.00 C ATOM 1096 C LEU A 70 78.606 -1.578 -6.950 1.00 0.00 C ATOM 1097 O LEU A 70 77.616 -1.825 -7.610 1.00 0.00 O ATOM 1098 CB LEU A 70 78.499 0.006 -5.000 1.00 0.00 C ATOM 1099 CG LEU A 70 77.393 0.731 -5.767 1.00 0.00 C ATOM 1100 CD1 LEU A 70 76.659 1.686 -4.823 1.00 0.00 C ATOM 1101 CD2 LEU A 70 78.011 1.528 -6.918 1.00 0.00 C ATOM 0 H LEU A 70 80.275 -1.381 -4.188 1.00 0.00 H new ATOM 0 HA LEU A 70 77.650 -1.998 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 70 78.319 0.078 -3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 70 79.461 0.479 -5.194 1.00 0.00 H new ATOM 0 HG LEU A 70 76.688 0.001 -6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 70 75.870 2.203 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 70 76.220 1.120 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 70 77.363 2.416 -4.425 1.00 0.00 H new ATOM 0 HD21 LEU A 70 77.224 2.046 -7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 70 78.715 2.258 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 70 78.535 0.849 -7.591 1.00 0.00 H new ATOM 1113 N GLU A 71 79.770 -1.414 -7.510 1.00 0.00 N ATOM 1114 CA GLU A 71 79.907 -1.529 -8.987 1.00 0.00 C ATOM 1115 C GLU A 71 79.961 -3.005 -9.379 1.00 0.00 C ATOM 1116 O GLU A 71 79.362 -3.427 -10.348 1.00 0.00 O ATOM 1117 CB GLU A 71 81.226 -0.832 -9.322 1.00 0.00 C ATOM 1118 CG GLU A 71 81.010 0.682 -9.365 1.00 0.00 C ATOM 1119 CD GLU A 71 80.607 1.100 -10.779 1.00 0.00 C ATOM 1120 OE1 GLU A 71 81.336 0.777 -11.702 1.00 0.00 O ATOM 1121 OE2 GLU A 71 79.576 1.738 -10.916 1.00 0.00 O ATOM 0 H GLU A 71 80.633 -1.205 -7.009 1.00 0.00 H new ATOM 0 HA GLU A 71 79.071 -1.080 -9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 71 81.980 -1.081 -8.575 1.00 0.00 H new ATOM 0 HB3 GLU A 71 81.601 -1.183 -10.283 1.00 0.00 H new ATOM 0 HG2 GLU A 71 80.235 0.970 -8.655 1.00 0.00 H new ATOM 0 HG3 GLU A 71 81.923 1.199 -9.068 1.00 0.00 H new ATOM 1128 N GLU A 72 80.674 -3.795 -8.623 1.00 0.00 N ATOM 1129 CA GLU A 72 80.772 -5.242 -8.935 1.00 0.00 C ATOM 1130 C GLU A 72 79.453 -5.945 -8.599 1.00 0.00 C ATOM 1131 O GLU A 72 79.078 -6.916 -9.228 1.00 0.00 O ATOM 1132 CB GLU A 72 81.901 -5.764 -8.046 1.00 0.00 C ATOM 1133 CG GLU A 72 82.222 -7.212 -8.425 1.00 0.00 C ATOM 1134 CD GLU A 72 82.700 -7.265 -9.877 1.00 0.00 C ATOM 1135 OE1 GLU A 72 83.122 -6.238 -10.379 1.00 0.00 O ATOM 1136 OE2 GLU A 72 82.636 -8.335 -10.461 1.00 0.00 O ATOM 0 H GLU A 72 81.194 -3.495 -7.799 1.00 0.00 H new ATOM 0 HA GLU A 72 80.969 -5.425 -9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 72 82.788 -5.141 -8.163 1.00 0.00 H new ATOM 0 HB3 GLU A 72 81.608 -5.708 -6.998 1.00 0.00 H new ATOM 0 HG2 GLU A 72 82.991 -7.611 -7.763 1.00 0.00 H new ATOM 0 HG3 GLU A 72 81.338 -7.837 -8.299 1.00 0.00 H new ATOM 1143 N LYS A 73 78.748 -5.466 -7.610 1.00 0.00 N ATOM 1144 CA LYS A 73 77.457 -6.110 -7.233 1.00 0.00 C ATOM 1145 C LYS A 73 76.298 -5.476 -8.008 1.00 0.00 C ATOM 1146 O LYS A 73 75.315 -6.124 -8.298 1.00 0.00 O ATOM 1147 CB LYS A 73 77.304 -5.852 -5.733 1.00 0.00 C ATOM 1148 CG LYS A 73 77.991 -6.974 -4.952 1.00 0.00 C ATOM 1149 CD LYS A 73 79.507 -6.864 -5.124 1.00 0.00 C ATOM 1150 CE LYS A 73 80.033 -8.115 -5.832 1.00 0.00 C ATOM 1151 NZ LYS A 73 80.493 -9.012 -4.736 1.00 0.00 N ATOM 0 H LYS A 73 79.010 -4.657 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 73 77.448 -7.175 -7.466 1.00 0.00 H new ATOM 0 HB2 LYS A 73 77.744 -4.890 -5.472 1.00 0.00 H new ATOM 0 HB3 LYS A 73 76.248 -5.802 -5.467 1.00 0.00 H new ATOM 0 HG2 LYS A 73 77.729 -6.909 -3.896 1.00 0.00 H new ATOM 0 HG3 LYS A 73 77.644 -7.944 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 73 79.754 -5.974 -5.703 1.00 0.00 H new ATOM 0 HD3 LYS A 73 79.987 -6.755 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 73 79.253 -8.588 -6.429 1.00 0.00 H new ATOM 0 HE3 LYS A 73 80.850 -7.870 -6.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 80.386 -10.004 -5.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 81.493 -8.819 -4.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 79.922 -8.840 -3.884 1.00 0.00 H new ATOM 1165 N GLN A 74 76.413 -4.214 -8.339 1.00 0.00 N ATOM 1166 CA GLN A 74 75.328 -3.522 -9.097 1.00 0.00 C ATOM 1167 C GLN A 74 74.712 -4.468 -10.129 1.00 0.00 C ATOM 1168 O GLN A 74 75.177 -4.579 -11.245 1.00 0.00 O ATOM 1169 CB GLN A 74 76.020 -2.351 -9.797 1.00 0.00 C ATOM 1170 CG GLN A 74 75.502 -1.030 -9.222 1.00 0.00 C ATOM 1171 CD GLN A 74 73.977 -0.985 -9.328 1.00 0.00 C ATOM 1172 OE1 GLN A 74 73.331 -0.234 -8.626 1.00 0.00 O ATOM 1173 NE2 GLN A 74 73.369 -1.762 -10.182 1.00 0.00 N ATOM 0 H GLN A 74 77.219 -3.630 -8.114 1.00 0.00 H new ATOM 0 HA GLN A 74 74.519 -3.192 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 74 77.099 -2.420 -9.662 1.00 0.00 H new ATOM 0 HB3 GLN A 74 75.830 -2.392 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 74 75.807 -0.931 -8.180 1.00 0.00 H new ATOM 0 HG3 GLN A 74 75.939 -0.191 -9.763 1.00 0.00 H new ATOM 0 HE21 GLN A 74 73.911 -2.393 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 74 72.352 -1.738 -10.259 1.00 0.00 H new ATOM 1182 N GLY A 75 73.673 -5.157 -9.754 1.00 0.00 N ATOM 1183 CA GLY A 75 73.027 -6.108 -10.700 1.00 0.00 C ATOM 1184 C GLY A 75 72.839 -7.456 -10.005 1.00 0.00 C ATOM 1185 O GLY A 75 71.731 -7.895 -9.800 1.00 0.00 O ATOM 0 H GLY A 75 73.242 -5.103 -8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 75 72.064 -5.716 -11.027 1.00 0.00 H new ATOM 0 HA3 GLY A 75 73.642 -6.227 -11.592 1.00 0.00 H new ATOM 1189 N ALA A 76 73.927 -8.095 -9.638 1.00 0.00 N ATOM 1190 CA ALA A 76 73.867 -9.423 -8.936 1.00 0.00 C ATOM 1191 C ALA A 76 72.560 -10.173 -9.222 1.00 0.00 C ATOM 1192 O ALA A 76 71.521 -9.860 -8.677 1.00 0.00 O ATOM 1193 CB ALA A 76 73.969 -9.084 -7.448 1.00 0.00 C ATOM 0 H ALA A 76 74.872 -7.746 -9.798 1.00 0.00 H new ATOM 0 HA ALA A 76 74.665 -10.082 -9.278 1.00 0.00 H new ATOM 0 HB1 ALA A 76 73.933 -10.003 -6.862 1.00 0.00 H new ATOM 0 HB2 ALA A 76 74.910 -8.568 -7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 76 73.137 -8.439 -7.164 1.00 0.00 H new ATOM 1199 N GLU A 77 72.606 -11.169 -10.063 1.00 0.00 N ATOM 1200 CA GLU A 77 71.366 -11.939 -10.369 1.00 0.00 C ATOM 1201 C GLU A 77 70.724 -12.442 -9.071 1.00 0.00 C ATOM 1202 O GLU A 77 71.140 -13.434 -8.504 1.00 0.00 O ATOM 1203 CB GLU A 77 71.830 -13.115 -11.231 1.00 0.00 C ATOM 1204 CG GLU A 77 70.969 -13.193 -12.494 1.00 0.00 C ATOM 1205 CD GLU A 77 71.101 -14.583 -13.117 1.00 0.00 C ATOM 1206 OE1 GLU A 77 72.224 -15.019 -13.313 1.00 0.00 O ATOM 1207 OE2 GLU A 77 70.077 -15.189 -13.389 1.00 0.00 O ATOM 0 H GLU A 77 73.445 -11.483 -10.551 1.00 0.00 H new ATOM 0 HA GLU A 77 70.618 -11.333 -10.880 1.00 0.00 H new ATOM 0 HB2 GLU A 77 72.879 -12.991 -11.500 1.00 0.00 H new ATOM 0 HB3 GLU A 77 71.753 -14.045 -10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 77 69.926 -12.990 -12.249 1.00 0.00 H new ATOM 0 HG3 GLU A 77 71.283 -12.432 -13.208 1.00 0.00 H new ATOM 1214 N ILE A 78 69.710 -11.766 -8.602 1.00 0.00 N ATOM 1215 CA ILE A 78 69.029 -12.194 -7.346 1.00 0.00 C ATOM 1216 C ILE A 78 67.557 -11.808 -7.436 1.00 0.00 C ATOM 1217 O ILE A 78 67.130 -11.221 -8.406 1.00 0.00 O ATOM 1218 CB ILE A 78 69.706 -11.412 -6.216 1.00 0.00 C ATOM 1219 CG1 ILE A 78 71.224 -11.607 -6.271 1.00 0.00 C ATOM 1220 CG2 ILE A 78 69.192 -11.913 -4.866 1.00 0.00 C ATOM 1221 CD1 ILE A 78 71.559 -13.070 -5.990 1.00 0.00 C ATOM 0 H ILE A 78 69.322 -10.930 -9.038 1.00 0.00 H new ATOM 0 HA ILE A 78 69.098 -13.269 -7.179 1.00 0.00 H new ATOM 0 HB ILE A 78 69.472 -10.354 -6.336 1.00 0.00 H new ATOM 0 HG12 ILE A 78 71.603 -11.318 -7.251 1.00 0.00 H new ATOM 0 HG13 ILE A 78 71.711 -10.964 -5.538 1.00 0.00 H new ATOM 0 HG21 ILE A 78 69.675 -11.356 -4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 78 68.113 -11.768 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 78 69.421 -12.973 -4.760 1.00 0.00 H new ATOM 0 HD11 ILE A 78 72.639 -13.210 -6.029 1.00 0.00 H new ATOM 0 HD12 ILE A 78 71.193 -13.343 -5.000 1.00 0.00 H new ATOM 0 HD13 ILE A 78 71.084 -13.703 -6.740 1.00 0.00 H new ATOM 1233 N ASP A 79 66.778 -12.119 -6.441 1.00 0.00 N ATOM 1234 CA ASP A 79 65.337 -11.752 -6.493 1.00 0.00 C ATOM 1235 C ASP A 79 64.767 -12.069 -7.882 1.00 0.00 C ATOM 1236 O ASP A 79 63.843 -11.432 -8.347 1.00 0.00 O ATOM 1237 CB ASP A 79 65.301 -10.243 -6.199 1.00 0.00 C ATOM 1238 CG ASP A 79 65.556 -9.442 -7.481 1.00 0.00 C ATOM 1239 OD1 ASP A 79 64.612 -9.236 -8.225 1.00 0.00 O ATOM 1240 OD2 ASP A 79 66.690 -9.045 -7.692 1.00 0.00 O ATOM 0 H ASP A 79 67.074 -12.609 -5.597 1.00 0.00 H new ATOM 0 HA ASP A 79 64.732 -12.309 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 79 64.333 -9.971 -5.779 1.00 0.00 H new ATOM 0 HB3 ASP A 79 66.054 -9.994 -5.451 1.00 0.00 H new ATOM 1245 N GLY A 80 65.317 -13.051 -8.543 1.00 0.00 N ATOM 1246 CA GLY A 80 64.821 -13.417 -9.894 1.00 0.00 C ATOM 1247 C GLY A 80 65.137 -12.291 -10.880 1.00 0.00 C ATOM 1248 O GLY A 80 64.663 -12.280 -11.999 1.00 0.00 O ATOM 0 H GLY A 80 66.093 -13.617 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 80 65.288 -14.345 -10.225 1.00 0.00 H new ATOM 0 HA3 GLY A 80 63.746 -13.595 -9.862 1.00 0.00 H new ATOM 1252 N ARG A 81 65.944 -11.347 -10.475 1.00 0.00 N ATOM 1253 CA ARG A 81 66.306 -10.218 -11.377 1.00 0.00 C ATOM 1254 C ARG A 81 67.661 -9.649 -10.958 1.00 0.00 C ATOM 1255 O ARG A 81 68.443 -10.310 -10.303 1.00 0.00 O ATOM 1256 CB ARG A 81 65.211 -9.166 -11.177 1.00 0.00 C ATOM 1257 CG ARG A 81 63.836 -9.835 -11.179 1.00 0.00 C ATOM 1258 CD ARG A 81 62.745 -8.763 -11.129 1.00 0.00 C ATOM 1259 NE ARG A 81 61.688 -9.246 -12.060 1.00 0.00 N ATOM 1260 CZ ARG A 81 60.765 -8.426 -12.480 1.00 0.00 C ATOM 1261 NH1 ARG A 81 59.965 -7.849 -11.624 1.00 0.00 N ATOM 1262 NH2 ARG A 81 60.640 -8.180 -13.756 1.00 0.00 N ATOM 0 H ARG A 81 66.371 -11.311 -9.549 1.00 0.00 H new ATOM 0 HA ARG A 81 66.380 -10.529 -12.419 1.00 0.00 H new ATOM 0 HB2 ARG A 81 65.368 -8.641 -10.235 1.00 0.00 H new ATOM 0 HB3 ARG A 81 65.263 -8.420 -11.970 1.00 0.00 H new ATOM 0 HG2 ARG A 81 63.719 -10.446 -12.074 1.00 0.00 H new ATOM 0 HG3 ARG A 81 63.744 -10.503 -10.322 1.00 0.00 H new ATOM 0 HD2 ARG A 81 62.356 -8.643 -10.118 1.00 0.00 H new ATOM 0 HD3 ARG A 81 63.131 -7.792 -11.440 1.00 0.00 H new ATOM 0 HE ARG A 81 61.686 -10.218 -12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 81 60.062 -8.040 -10.627 1.00 0.00 H new ATOM 0 HH12 ARG A 81 59.243 -7.208 -11.953 1.00 0.00 H new ATOM 0 HH21 ARG A 81 61.265 -8.629 -14.426 1.00 0.00 H new ATOM 0 HH22 ARG A 81 59.918 -7.538 -14.083 1.00 0.00 H new ATOM 1276 N SER A 82 67.943 -8.430 -11.317 1.00 0.00 N ATOM 1277 CA SER A 82 69.242 -7.828 -10.925 1.00 0.00 C ATOM 1278 C SER A 82 69.042 -6.850 -9.767 1.00 0.00 C ATOM 1279 O SER A 82 68.238 -5.942 -9.840 1.00 0.00 O ATOM 1280 CB SER A 82 69.722 -7.089 -12.167 1.00 0.00 C ATOM 1281 OG SER A 82 68.620 -6.862 -13.037 1.00 0.00 O ATOM 0 H SER A 82 67.330 -7.826 -11.864 1.00 0.00 H new ATOM 0 HA SER A 82 69.960 -8.576 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 82 70.179 -6.140 -11.885 1.00 0.00 H new ATOM 0 HB3 SER A 82 70.488 -7.672 -12.677 1.00 0.00 H new ATOM 0 HG SER A 82 68.927 -6.385 -13.836 1.00 0.00 H new ATOM 1287 N VAL A 83 69.774 -7.024 -8.704 1.00 0.00 N ATOM 1288 CA VAL A 83 69.633 -6.098 -7.544 1.00 0.00 C ATOM 1289 C VAL A 83 70.290 -4.757 -7.879 1.00 0.00 C ATOM 1290 O VAL A 83 71.270 -4.699 -8.596 1.00 0.00 O ATOM 1291 CB VAL A 83 70.352 -6.792 -6.386 1.00 0.00 C ATOM 1292 CG1 VAL A 83 71.752 -7.212 -6.830 1.00 0.00 C ATOM 1293 CG2 VAL A 83 70.460 -5.829 -5.203 1.00 0.00 C ATOM 0 H VAL A 83 70.464 -7.766 -8.587 1.00 0.00 H new ATOM 0 HA VAL A 83 68.593 -5.890 -7.293 1.00 0.00 H new ATOM 0 HB VAL A 83 69.787 -7.675 -6.087 1.00 0.00 H new ATOM 0 HG11 VAL A 83 72.263 -7.706 -6.004 1.00 0.00 H new ATOM 0 HG12 VAL A 83 71.676 -7.899 -7.673 1.00 0.00 H new ATOM 0 HG13 VAL A 83 72.318 -6.330 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 83 70.972 -6.323 -4.377 1.00 0.00 H new ATOM 0 HG22 VAL A 83 71.024 -4.946 -5.503 1.00 0.00 H new ATOM 0 HG23 VAL A 83 69.461 -5.531 -4.884 1.00 0.00 H new ATOM 1303 N SER A 84 69.752 -3.676 -7.384 1.00 0.00 N ATOM 1304 CA SER A 84 70.344 -2.344 -7.698 1.00 0.00 C ATOM 1305 C SER A 84 71.045 -1.759 -6.471 1.00 0.00 C ATOM 1306 O SER A 84 70.635 -1.970 -5.346 1.00 0.00 O ATOM 1307 CB SER A 84 69.158 -1.471 -8.103 1.00 0.00 C ATOM 1308 OG SER A 84 68.460 -2.096 -9.173 1.00 0.00 O ATOM 0 H SER A 84 68.932 -3.657 -6.778 1.00 0.00 H new ATOM 0 HA SER A 84 71.096 -2.408 -8.484 1.00 0.00 H new ATOM 0 HB2 SER A 84 68.491 -1.326 -7.253 1.00 0.00 H new ATOM 0 HB3 SER A 84 69.505 -0.484 -8.407 1.00 0.00 H new ATOM 0 HG SER A 84 67.628 -1.609 -9.350 1.00 0.00 H new ATOM 1314 N LEU A 85 72.097 -1.019 -6.685 1.00 0.00 N ATOM 1315 CA LEU A 85 72.830 -0.406 -5.542 1.00 0.00 C ATOM 1316 C LEU A 85 72.575 1.102 -5.514 1.00 0.00 C ATOM 1317 O LEU A 85 72.857 1.807 -6.462 1.00 0.00 O ATOM 1318 CB LEU A 85 74.306 -0.697 -5.819 1.00 0.00 C ATOM 1319 CG LEU A 85 74.650 -2.113 -5.352 1.00 0.00 C ATOM 1320 CD1 LEU A 85 74.470 -2.211 -3.836 1.00 0.00 C ATOM 1321 CD2 LEU A 85 73.723 -3.119 -6.041 1.00 0.00 C ATOM 0 H LEU A 85 72.482 -0.812 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 85 72.513 -0.804 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 85 74.513 -0.595 -6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 85 74.933 0.029 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 85 75.685 -2.336 -5.610 1.00 0.00 H new ATOM 0 HD11 LEU A 85 74.715 -3.220 -3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 85 75.131 -1.497 -3.344 1.00 0.00 H new ATOM 0 HD13 LEU A 85 73.435 -1.986 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 85 73.969 -4.127 -5.708 1.00 0.00 H new ATOM 0 HD22 LEU A 85 72.688 -2.894 -5.785 1.00 0.00 H new ATOM 0 HD23 LEU A 85 73.852 -3.052 -7.121 1.00 0.00 H new ATOM 1333 N TYR A 86 72.042 1.601 -4.435 1.00 0.00 N ATOM 1334 CA TYR A 86 71.768 3.062 -4.346 1.00 0.00 C ATOM 1335 C TYR A 86 72.766 3.726 -3.404 1.00 0.00 C ATOM 1336 O TYR A 86 72.589 3.739 -2.202 1.00 0.00 O ATOM 1337 CB TYR A 86 70.359 3.170 -3.777 1.00 0.00 C ATOM 1338 CG TYR A 86 69.346 2.947 -4.872 1.00 0.00 C ATOM 1339 CD1 TYR A 86 69.217 1.683 -5.457 1.00 0.00 C ATOM 1340 CD2 TYR A 86 68.535 4.004 -5.298 1.00 0.00 C ATOM 1341 CE1 TYR A 86 68.275 1.475 -6.470 1.00 0.00 C ATOM 1342 CE2 TYR A 86 67.593 3.798 -6.311 1.00 0.00 C ATOM 1343 CZ TYR A 86 67.463 2.533 -6.898 1.00 0.00 C ATOM 1344 OH TYR A 86 66.533 2.329 -7.898 1.00 0.00 O ATOM 0 H TYR A 86 71.784 1.060 -3.610 1.00 0.00 H new ATOM 0 HA TYR A 86 71.858 3.555 -5.314 1.00 0.00 H new ATOM 0 HB2 TYR A 86 70.220 2.434 -2.985 1.00 0.00 H new ATOM 0 HB3 TYR A 86 70.213 4.153 -3.328 1.00 0.00 H new ATOM 0 HD1 TYR A 86 69.844 0.868 -5.127 1.00 0.00 H new ATOM 0 HD2 TYR A 86 68.636 4.979 -4.845 1.00 0.00 H new ATOM 0 HE1 TYR A 86 68.174 0.499 -6.922 1.00 0.00 H new ATOM 0 HE2 TYR A 86 66.966 4.614 -6.640 1.00 0.00 H new ATOM 0 HH TYR A 86 66.053 3.165 -8.074 1.00 0.00 H new ATOM 1354 N TYR A 87 73.814 4.273 -3.941 1.00 0.00 N ATOM 1355 CA TYR A 87 74.827 4.935 -3.087 1.00 0.00 C ATOM 1356 C TYR A 87 74.162 5.970 -2.180 1.00 0.00 C ATOM 1357 O TYR A 87 72.955 6.034 -2.067 1.00 0.00 O ATOM 1358 CB TYR A 87 75.778 5.615 -4.070 1.00 0.00 C ATOM 1359 CG TYR A 87 77.211 5.380 -3.651 1.00 0.00 C ATOM 1360 CD1 TYR A 87 77.519 5.092 -2.315 1.00 0.00 C ATOM 1361 CD2 TYR A 87 78.234 5.449 -4.604 1.00 0.00 C ATOM 1362 CE1 TYR A 87 78.849 4.875 -1.934 1.00 0.00 C ATOM 1363 CE2 TYR A 87 79.564 5.233 -4.224 1.00 0.00 C ATOM 1364 CZ TYR A 87 79.871 4.944 -2.888 1.00 0.00 C ATOM 1365 OH TYR A 87 81.182 4.730 -2.514 1.00 0.00 O ATOM 0 H TYR A 87 74.013 4.290 -4.941 1.00 0.00 H new ATOM 0 HA TYR A 87 75.344 4.232 -2.434 1.00 0.00 H new ATOM 0 HB2 TYR A 87 75.616 5.225 -5.075 1.00 0.00 H new ATOM 0 HB3 TYR A 87 75.572 6.685 -4.107 1.00 0.00 H new ATOM 0 HD1 TYR A 87 76.731 5.037 -1.579 1.00 0.00 H new ATOM 0 HD2 TYR A 87 77.997 5.669 -5.634 1.00 0.00 H new ATOM 0 HE1 TYR A 87 79.086 4.654 -0.904 1.00 0.00 H new ATOM 0 HE2 TYR A 87 80.352 5.289 -4.960 1.00 0.00 H new ATOM 0 HH TYR A 87 81.351 5.164 -1.652 1.00 0.00 H new ATOM 1375 N THR A 88 74.948 6.782 -1.536 1.00 0.00 N ATOM 1376 CA THR A 88 74.376 7.822 -0.633 1.00 0.00 C ATOM 1377 C THR A 88 75.481 8.769 -0.158 1.00 0.00 C ATOM 1378 O THR A 88 76.158 8.508 0.817 1.00 0.00 O ATOM 1379 CB THR A 88 73.786 7.047 0.546 1.00 0.00 C ATOM 1380 OG1 THR A 88 74.310 5.726 0.555 1.00 0.00 O ATOM 1381 CG2 THR A 88 72.263 6.993 0.413 1.00 0.00 C ATOM 0 H THR A 88 75.966 6.772 -1.594 1.00 0.00 H new ATOM 0 HA THR A 88 73.624 8.434 -1.130 1.00 0.00 H new ATOM 0 HB THR A 88 74.050 7.548 1.477 1.00 0.00 H new ATOM 0 HG1 THR A 88 75.277 5.759 0.708 1.00 0.00 H new ATOM 0 HG21 THR A 88 71.844 6.440 1.254 1.00 0.00 H new ATOM 0 HG22 THR A 88 71.862 8.007 0.409 1.00 0.00 H new ATOM 0 HG23 THR A 88 71.997 6.493 -0.518 1.00 0.00 H new