USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 719 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 14 LYS NZ :NH3+ -115:sc= -1.18 (180deg=-2.6!) USER MOD Single : A 16 MET CE :methyl -157:sc= -0.833 (180deg=-1.58) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.25 K(o=0.25,f=-4.5!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.65 K(o=-1.7,f=-3.4!) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 43 LYS NZ :NH3+ 149:sc= 0 (180deg=-0.0794) USER MOD Single : A 45 TYR OH : rot 165:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.367 K(o=-0.37,f=-5.3!) USER MOD Single : A 53 SER OG : rot -170:sc= 0.805 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ -165:sc= 0.0254 (180deg=0.00656) USER MOD Single : A 73 LYS NZ :NH3+ 162:sc= 0.0043 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.1) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 6:sc= 0.175 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N LEU A 13 -5.617 -17.889 -0.535 1.00 0.00 N ATOM 228 CA LEU A 13 -5.821 -16.447 -0.521 1.00 0.00 C ATOM 229 C LEU A 13 -5.698 -15.886 -1.934 1.00 0.00 C ATOM 230 O LEU A 13 -5.091 -16.510 -2.803 1.00 0.00 O ATOM 231 CB LEU A 13 -4.901 -15.790 0.514 1.00 0.00 C ATOM 232 CG LEU A 13 -3.400 -15.700 0.197 1.00 0.00 C ATOM 233 CD1 LEU A 13 -3.072 -14.465 -0.653 1.00 0.00 C ATOM 234 CD2 LEU A 13 -2.658 -15.558 1.532 1.00 0.00 C ATOM 0 HA LEU A 13 -6.835 -16.208 -0.199 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.266 -14.778 0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.011 -16.335 1.451 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.104 -16.590 -0.358 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.001 -14.437 -0.856 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.619 -14.516 -1.595 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.363 -13.564 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.586 -15.491 1.347 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.995 -14.655 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.865 -16.427 2.157 1.00 0.00 H new ATOM 246 N LYS A 14 -6.317 -14.724 -2.160 1.00 0.00 N ATOM 247 CA LYS A 14 -6.576 -14.152 -3.473 1.00 0.00 C ATOM 248 C LYS A 14 -5.902 -12.784 -3.583 1.00 0.00 C ATOM 249 O LYS A 14 -5.873 -12.030 -2.612 1.00 0.00 O ATOM 250 CB LYS A 14 -8.103 -14.067 -3.626 1.00 0.00 C ATOM 251 CG LYS A 14 -8.555 -13.463 -4.959 1.00 0.00 C ATOM 252 CD LYS A 14 -8.715 -11.937 -4.927 1.00 0.00 C ATOM 253 CE LYS A 14 -9.929 -11.471 -4.120 1.00 0.00 C ATOM 254 NZ LYS A 14 -10.152 -10.066 -4.398 1.00 0.00 N ATOM 0 H LYS A 14 -6.663 -14.138 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 14 -6.164 -14.764 -4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.525 -15.067 -3.528 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -8.508 -13.469 -2.810 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -7.831 -13.727 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.505 -13.912 -5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.814 -11.493 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.803 -11.567 -5.948 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -10.809 -12.055 -4.388 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.757 -11.624 -3.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.997 -9.512 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.490 -9.749 -5.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -11.129 -9.928 -4.727 1.00 0.00 H new ATOM 267 N ARG A 15 -5.387 -12.444 -4.774 1.00 0.00 N ATOM 268 CA ARG A 15 -4.749 -11.155 -5.025 1.00 0.00 C ATOM 269 C ARG A 15 -5.784 -10.082 -5.341 1.00 0.00 C ATOM 270 O ARG A 15 -6.387 -10.091 -6.413 1.00 0.00 O ATOM 271 CB ARG A 15 -3.702 -11.253 -6.131 1.00 0.00 C ATOM 272 CG ARG A 15 -2.662 -12.293 -5.724 1.00 0.00 C ATOM 273 CD ARG A 15 -1.437 -12.236 -6.632 1.00 0.00 C ATOM 274 NE ARG A 15 -0.539 -11.138 -6.252 1.00 0.00 N ATOM 275 CZ ARG A 15 0.511 -10.712 -6.972 1.00 0.00 C ATOM 276 NH1 ARG A 15 0.685 -11.088 -8.247 1.00 0.00 N ATOM 277 NH2 ARG A 15 1.413 -9.912 -6.394 1.00 0.00 N ATOM 0 H ARG A 15 -5.404 -13.060 -5.587 1.00 0.00 H new ATOM 0 HA ARG A 15 -4.232 -10.863 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.172 -11.536 -7.073 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.227 -10.285 -6.290 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.360 -12.123 -4.691 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.104 -13.289 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.899 -13.183 -6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.755 -12.107 -7.667 1.00 0.00 H new ATOM 0 HE ARG A 15 -0.728 -10.661 -5.371 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.011 -11.712 -8.691 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.491 -10.750 -8.773 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.298 -9.634 -5.419 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.216 -9.580 -6.928 1.00 0.00 H new ATOM 291 N MET A 16 -5.975 -9.158 -4.396 1.00 0.00 N ATOM 292 CA MET A 16 -6.833 -8.005 -4.574 1.00 0.00 C ATOM 293 C MET A 16 -6.006 -6.817 -5.067 1.00 0.00 C ATOM 294 O MET A 16 -5.436 -6.061 -4.282 1.00 0.00 O ATOM 295 CB MET A 16 -7.597 -7.684 -3.290 1.00 0.00 C ATOM 296 CG MET A 16 -6.796 -7.640 -1.988 1.00 0.00 C ATOM 297 SD MET A 16 -7.501 -6.596 -0.684 1.00 0.00 S ATOM 298 CE MET A 16 -7.502 -4.967 -1.498 1.00 0.00 C ATOM 0 H MET A 16 -5.529 -9.198 -3.479 1.00 0.00 H new ATOM 0 HA MET A 16 -7.583 -8.231 -5.332 1.00 0.00 H new ATOM 0 HB2 MET A 16 -8.083 -6.717 -3.420 1.00 0.00 H new ATOM 0 HB3 MET A 16 -8.388 -8.425 -3.174 1.00 0.00 H new ATOM 0 HG2 MET A 16 -6.699 -8.656 -1.605 1.00 0.00 H new ATOM 0 HG3 MET A 16 -5.790 -7.286 -2.211 1.00 0.00 H new ATOM 0 HE1 MET A 16 -7.508 -4.182 -0.742 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.609 -4.868 -2.116 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.389 -4.874 -2.125 1.00 0.00 H new ATOM 308 N TYR A 17 -5.966 -6.644 -6.387 1.00 0.00 N ATOM 309 CA TYR A 17 -5.344 -5.487 -7.007 1.00 0.00 C ATOM 310 C TYR A 17 -6.259 -4.282 -6.795 1.00 0.00 C ATOM 311 O TYR A 17 -7.466 -4.393 -7.002 1.00 0.00 O ATOM 312 CB TYR A 17 -5.098 -5.773 -8.490 1.00 0.00 C ATOM 313 CG TYR A 17 -4.560 -4.595 -9.275 1.00 0.00 C ATOM 314 CD1 TYR A 17 -3.172 -4.402 -9.381 1.00 0.00 C ATOM 315 CD2 TYR A 17 -5.440 -3.745 -9.969 1.00 0.00 C ATOM 316 CE1 TYR A 17 -2.662 -3.385 -10.204 1.00 0.00 C ATOM 317 CE2 TYR A 17 -4.931 -2.751 -10.820 1.00 0.00 C ATOM 318 CZ TYR A 17 -3.541 -2.573 -10.941 1.00 0.00 C ATOM 319 OH TYR A 17 -3.042 -1.621 -11.782 1.00 0.00 O ATOM 0 H TYR A 17 -6.366 -7.305 -7.053 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.376 -5.269 -6.556 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.396 -6.602 -8.576 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.033 -6.100 -8.944 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.496 -5.037 -8.828 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -6.507 -3.857 -9.847 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.596 -3.227 -10.271 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -5.607 -2.123 -11.382 1.00 0.00 H new ATOM 0 HH TYR A 17 -3.782 -1.148 -12.216 1.00 0.00 H new ATOM 329 N ALA A 18 -5.698 -3.143 -6.375 1.00 0.00 N ATOM 330 CA ALA A 18 -6.463 -1.932 -6.128 1.00 0.00 C ATOM 331 C ALA A 18 -5.698 -0.699 -6.591 1.00 0.00 C ATOM 332 O ALA A 18 -4.751 -0.248 -5.948 1.00 0.00 O ATOM 333 CB ALA A 18 -6.864 -1.830 -4.664 1.00 0.00 C ATOM 0 H ALA A 18 -4.698 -3.042 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.381 -1.984 -6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.435 -0.915 -4.506 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -7.475 -2.691 -4.393 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.969 -1.811 -4.042 1.00 0.00 H new ATOM 339 N ARG A 19 -6.149 -0.165 -7.726 1.00 0.00 N ATOM 340 CA ARG A 19 -5.591 0.985 -8.410 1.00 0.00 C ATOM 341 C ARG A 19 -6.382 2.229 -8.026 1.00 0.00 C ATOM 342 O ARG A 19 -7.460 2.459 -8.576 1.00 0.00 O ATOM 343 CB ARG A 19 -5.658 0.727 -9.919 1.00 0.00 C ATOM 344 CG ARG A 19 -4.991 1.816 -10.755 1.00 0.00 C ATOM 345 CD ARG A 19 -3.475 1.803 -10.582 1.00 0.00 C ATOM 346 NE ARG A 19 -2.855 2.699 -11.565 1.00 0.00 N ATOM 347 CZ ARG A 19 -1.937 2.379 -12.496 1.00 0.00 C ATOM 348 NH1 ARG A 19 -1.359 1.170 -12.540 1.00 0.00 N ATOM 349 NH2 ARG A 19 -1.598 3.300 -13.405 1.00 0.00 N ATOM 0 H ARG A 19 -6.958 -0.550 -8.214 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.551 1.144 -8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.183 -0.229 -10.137 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -6.702 0.639 -10.218 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.240 1.673 -11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.383 2.791 -10.465 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.212 2.118 -9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.094 0.790 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.153 3.674 -11.540 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.611 0.459 -11.854 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.667 0.962 -13.260 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.033 4.222 -13.383 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.905 3.080 -14.120 1.00 0.00 H new ATOM 363 N VAL A 20 -5.846 3.033 -7.099 1.00 0.00 N ATOM 364 CA VAL A 20 -6.495 4.279 -6.710 1.00 0.00 C ATOM 365 C VAL A 20 -6.014 5.426 -7.600 1.00 0.00 C ATOM 366 O VAL A 20 -4.814 5.651 -7.755 1.00 0.00 O ATOM 367 CB VAL A 20 -6.380 4.563 -5.204 1.00 0.00 C ATOM 368 CG1 VAL A 20 -4.944 4.778 -4.740 1.00 0.00 C ATOM 369 CG2 VAL A 20 -7.209 5.797 -4.830 1.00 0.00 C ATOM 0 H VAL A 20 -4.971 2.840 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.567 4.176 -6.878 1.00 0.00 H new ATOM 0 HB VAL A 20 -6.761 3.675 -4.700 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.934 4.974 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -4.356 3.885 -4.952 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.514 5.629 -5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -7.118 5.986 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.844 6.662 -5.384 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -8.255 5.622 -5.080 1.00 0.00 H new ATOM 379 N TYR A 21 -6.981 6.137 -8.187 1.00 0.00 N ATOM 380 CA TYR A 21 -6.766 7.323 -9.000 1.00 0.00 C ATOM 381 C TYR A 21 -7.101 8.575 -8.200 1.00 0.00 C ATOM 382 O TYR A 21 -7.926 8.539 -7.287 1.00 0.00 O ATOM 383 CB TYR A 21 -7.641 7.263 -10.258 1.00 0.00 C ATOM 384 CG TYR A 21 -7.186 6.214 -11.249 1.00 0.00 C ATOM 385 CD1 TYR A 21 -6.101 6.495 -12.097 1.00 0.00 C ATOM 386 CD2 TYR A 21 -7.752 4.925 -11.240 1.00 0.00 C ATOM 387 CE1 TYR A 21 -5.592 5.499 -12.944 1.00 0.00 C ATOM 388 CE2 TYR A 21 -7.256 3.936 -12.107 1.00 0.00 C ATOM 389 CZ TYR A 21 -6.183 4.226 -12.967 1.00 0.00 C ATOM 390 OH TYR A 21 -5.706 3.273 -13.819 1.00 0.00 O ATOM 0 H TYR A 21 -7.967 5.889 -8.102 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.717 7.360 -9.295 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.671 7.057 -9.967 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -7.636 8.239 -10.743 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.658 7.480 -12.097 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -8.566 4.696 -10.568 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.745 5.712 -13.579 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.700 2.952 -12.112 1.00 0.00 H new ATOM 0 HH TYR A 21 -6.224 2.448 -13.710 1.00 0.00 H new ATOM 400 N GLY A 22 -6.485 9.691 -8.598 1.00 0.00 N ATOM 401 CA GLY A 22 -6.753 11.018 -8.081 1.00 0.00 C ATOM 402 C GLY A 22 -5.469 11.685 -7.629 1.00 0.00 C ATOM 403 O GLY A 22 -4.374 11.179 -7.881 1.00 0.00 O ATOM 0 H GLY A 22 -5.761 9.685 -9.316 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.232 11.624 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.450 10.954 -7.245 1.00 0.00 H new ATOM 407 N LEU A 23 -5.613 12.810 -6.926 1.00 0.00 N ATOM 408 CA LEU A 23 -4.492 13.526 -6.344 1.00 0.00 C ATOM 409 C LEU A 23 -4.248 12.955 -4.947 1.00 0.00 C ATOM 410 O LEU A 23 -4.260 13.677 -3.950 1.00 0.00 O ATOM 411 CB LEU A 23 -4.762 15.035 -6.403 1.00 0.00 C ATOM 412 CG LEU A 23 -3.546 15.901 -6.031 1.00 0.00 C ATOM 413 CD1 LEU A 23 -2.452 15.874 -7.105 1.00 0.00 C ATOM 414 CD2 LEU A 23 -4.008 17.348 -5.824 1.00 0.00 C ATOM 0 H LEU A 23 -6.517 13.246 -6.747 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.566 13.389 -6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.088 15.297 -7.410 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.585 15.273 -5.730 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.118 15.490 -5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.618 16.502 -6.791 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.104 14.851 -7.244 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.856 16.251 -8.045 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.152 17.969 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.457 17.722 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.744 17.384 -5.021 1.00 0.00 H new ATOM 426 N VAL A 24 -4.037 11.631 -4.899 1.00 0.00 N ATOM 427 CA VAL A 24 -3.630 10.905 -3.702 1.00 0.00 C ATOM 428 C VAL A 24 -2.151 10.503 -3.738 1.00 0.00 C ATOM 429 O VAL A 24 -1.673 9.851 -2.810 1.00 0.00 O ATOM 430 CB VAL A 24 -4.570 9.718 -3.431 1.00 0.00 C ATOM 431 CG1 VAL A 24 -6.043 10.110 -3.608 1.00 0.00 C ATOM 432 CG2 VAL A 24 -4.289 8.509 -4.328 1.00 0.00 C ATOM 0 H VAL A 24 -4.149 11.028 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.724 11.584 -2.855 1.00 0.00 H new ATOM 0 HB VAL A 24 -4.375 9.438 -2.396 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -6.676 9.246 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.292 10.911 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -6.208 10.452 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.986 7.707 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.412 8.795 -5.373 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.268 8.164 -4.164 1.00 0.00 H new ATOM 442 N GLN A 25 -1.418 10.915 -4.781 1.00 0.00 N ATOM 443 CA GLN A 25 0.027 10.780 -4.848 1.00 0.00 C ATOM 444 C GLN A 25 0.671 11.948 -4.094 1.00 0.00 C ATOM 445 O GLN A 25 0.059 13.006 -3.948 1.00 0.00 O ATOM 446 CB GLN A 25 0.445 10.704 -6.321 1.00 0.00 C ATOM 447 CG GLN A 25 1.926 10.345 -6.487 1.00 0.00 C ATOM 448 CD GLN A 25 2.159 9.625 -7.812 1.00 0.00 C ATOM 449 OE1 GLN A 25 1.937 10.192 -8.878 1.00 0.00 O ATOM 450 NE2 GLN A 25 2.588 8.363 -7.742 1.00 0.00 N ATOM 0 H GLN A 25 -1.825 11.355 -5.606 1.00 0.00 H new ATOM 0 HA GLN A 25 0.370 9.864 -4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.166 9.960 -6.832 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.250 11.662 -6.802 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.532 11.250 -6.447 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.247 9.710 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.759 7.932 -6.833 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.744 7.829 -8.597 1.00 0.00 H new ATOM 459 N GLY A 26 1.884 11.740 -3.569 1.00 0.00 N ATOM 460 CA GLY A 26 2.564 12.699 -2.709 1.00 0.00 C ATOM 461 C GLY A 26 2.148 12.495 -1.252 1.00 0.00 C ATOM 462 O GLY A 26 3.001 12.263 -0.397 1.00 0.00 O ATOM 0 H GLY A 26 2.422 10.890 -3.735 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.643 12.583 -2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.323 13.714 -3.024 1.00 0.00 H new ATOM 466 N VAL A 27 0.837 12.554 -0.978 1.00 0.00 N ATOM 467 CA VAL A 27 0.269 12.230 0.328 1.00 0.00 C ATOM 468 C VAL A 27 0.378 10.721 0.605 1.00 0.00 C ATOM 469 O VAL A 27 0.920 9.974 -0.209 1.00 0.00 O ATOM 470 CB VAL A 27 -1.180 12.748 0.440 1.00 0.00 C ATOM 471 CG1 VAL A 27 -1.258 14.270 0.277 1.00 0.00 C ATOM 472 CG2 VAL A 27 -2.114 12.099 -0.582 1.00 0.00 C ATOM 0 H VAL A 27 0.138 12.831 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 27 0.846 12.740 1.100 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.508 12.473 1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.296 14.592 0.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.663 14.750 1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.870 14.551 -0.702 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.121 12.499 -0.460 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.758 12.315 -1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.130 11.020 -0.426 1.00 0.00 H new ATOM 482 N GLY A 28 -0.113 10.282 1.772 1.00 0.00 N ATOM 483 CA GLY A 28 0.055 8.925 2.274 1.00 0.00 C ATOM 484 C GLY A 28 -0.660 7.880 1.414 1.00 0.00 C ATOM 485 O GLY A 28 -0.093 7.419 0.426 1.00 0.00 O ATOM 0 H GLY A 28 -0.649 10.879 2.402 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.118 8.688 2.317 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.325 8.871 3.294 1.00 0.00 H new ATOM 489 N PHE A 29 -1.874 7.480 1.826 1.00 0.00 N ATOM 490 CA PHE A 29 -2.663 6.377 1.282 1.00 0.00 C ATOM 491 C PHE A 29 -1.997 5.009 1.475 1.00 0.00 C ATOM 492 O PHE A 29 -2.539 4.161 2.183 1.00 0.00 O ATOM 493 CB PHE A 29 -3.073 6.640 -0.174 1.00 0.00 C ATOM 494 CG PHE A 29 -3.565 5.402 -0.902 1.00 0.00 C ATOM 495 CD1 PHE A 29 -4.781 4.799 -0.532 1.00 0.00 C ATOM 496 CD2 PHE A 29 -2.712 4.738 -1.804 1.00 0.00 C ATOM 497 CE1 PHE A 29 -5.190 3.595 -1.128 1.00 0.00 C ATOM 498 CE2 PHE A 29 -3.091 3.500 -2.349 1.00 0.00 C ATOM 499 CZ PHE A 29 -4.343 2.942 -2.036 1.00 0.00 C ATOM 0 H PHE A 29 -2.354 7.950 2.594 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.582 6.333 1.867 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -3.858 7.396 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.221 7.053 -0.713 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -5.405 5.266 0.216 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -1.766 5.181 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.155 3.173 -0.888 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.418 2.975 -3.011 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.652 2.014 -2.493 1.00 0.00 H new ATOM 509 N ARG A 30 -0.843 4.803 0.830 1.00 0.00 N ATOM 510 CA ARG A 30 -0.035 3.589 0.835 1.00 0.00 C ATOM 511 C ARG A 30 0.213 3.036 2.241 1.00 0.00 C ATOM 512 O ARG A 30 0.343 1.824 2.407 1.00 0.00 O ATOM 513 CB ARG A 30 1.291 3.887 0.123 1.00 0.00 C ATOM 514 CG ARG A 30 2.180 4.865 0.911 1.00 0.00 C ATOM 515 CD ARG A 30 3.278 5.415 0.003 1.00 0.00 C ATOM 516 NE ARG A 30 4.033 6.492 0.652 1.00 0.00 N ATOM 517 CZ ARG A 30 5.124 7.085 0.134 1.00 0.00 C ATOM 518 NH1 ARG A 30 5.723 6.607 -0.967 1.00 0.00 N ATOM 519 NH2 ARG A 30 5.616 8.179 0.729 1.00 0.00 N ATOM 0 H ARG A 30 -0.425 5.533 0.253 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.587 2.811 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.833 2.954 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.084 4.304 -0.863 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.576 5.683 1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.624 4.357 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.958 4.610 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.834 5.788 -0.920 1.00 0.00 H new ATOM 0 HE ARG A 30 3.707 6.815 1.563 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.352 5.777 -1.430 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.549 7.074 -1.341 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.164 8.552 1.564 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.443 8.639 0.347 1.00 0.00 H new ATOM 533 N LYS A 31 0.282 3.929 3.237 1.00 0.00 N ATOM 534 CA LYS A 31 0.476 3.613 4.640 1.00 0.00 C ATOM 535 C LYS A 31 -0.841 3.173 5.287 1.00 0.00 C ATOM 536 O LYS A 31 -0.874 2.196 6.027 1.00 0.00 O ATOM 537 CB LYS A 31 1.035 4.845 5.356 1.00 0.00 C ATOM 538 CG LYS A 31 1.556 4.480 6.752 1.00 0.00 C ATOM 539 CD LYS A 31 1.975 5.715 7.558 1.00 0.00 C ATOM 540 CE LYS A 31 3.203 6.415 6.967 1.00 0.00 C ATOM 541 NZ LYS A 31 3.649 7.458 7.870 1.00 0.00 N ATOM 0 H LYS A 31 0.199 4.932 3.069 1.00 0.00 H new ATOM 0 HA LYS A 31 1.182 2.787 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.841 5.279 4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.258 5.605 5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.782 3.939 7.296 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.407 3.806 6.655 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.143 6.419 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.189 5.419 8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.003 5.693 6.806 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.958 6.842 5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.483 7.932 7.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.886 8.152 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.899 7.039 8.788 1.00 0.00 H new ATOM 554 N PHE A 32 -1.924 3.917 5.041 1.00 0.00 N ATOM 555 CA PHE A 32 -3.223 3.656 5.651 1.00 0.00 C ATOM 556 C PHE A 32 -3.724 2.247 5.315 1.00 0.00 C ATOM 557 O PHE A 32 -4.110 1.492 6.205 1.00 0.00 O ATOM 558 CB PHE A 32 -4.228 4.718 5.188 1.00 0.00 C ATOM 559 CG PHE A 32 -5.606 4.693 5.833 1.00 0.00 C ATOM 560 CD1 PHE A 32 -5.866 3.992 7.030 1.00 0.00 C ATOM 561 CD2 PHE A 32 -6.629 5.462 5.255 1.00 0.00 C ATOM 562 CE1 PHE A 32 -7.130 4.063 7.634 1.00 0.00 C ATOM 563 CE2 PHE A 32 -7.884 5.565 5.880 1.00 0.00 C ATOM 564 CZ PHE A 32 -8.141 4.853 7.062 1.00 0.00 C ATOM 0 H PHE A 32 -1.920 4.719 4.411 1.00 0.00 H new ATOM 0 HA PHE A 32 -3.117 3.711 6.734 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -3.789 5.700 5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.356 4.616 4.110 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -5.087 3.397 7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -6.450 5.978 4.323 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.326 3.509 8.540 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.651 6.192 5.450 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.113 4.912 7.530 1.00 0.00 H new ATOM 574 N VAL A 33 -3.688 1.888 4.026 1.00 0.00 N ATOM 575 CA VAL A 33 -3.992 0.527 3.591 1.00 0.00 C ATOM 576 C VAL A 33 -3.033 -0.487 4.219 1.00 0.00 C ATOM 577 O VAL A 33 -3.417 -1.639 4.413 1.00 0.00 O ATOM 578 CB VAL A 33 -4.015 0.403 2.056 1.00 0.00 C ATOM 579 CG1 VAL A 33 -5.114 1.286 1.460 1.00 0.00 C ATOM 580 CG2 VAL A 33 -2.666 0.730 1.404 1.00 0.00 C ATOM 0 H VAL A 33 -3.450 2.526 3.267 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.997 0.296 3.945 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.227 -0.643 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.114 1.184 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.082 0.977 1.853 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.929 2.327 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.749 0.624 0.322 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.383 1.754 1.647 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.905 0.045 1.778 1.00 0.00 H new ATOM 590 N GLN A 34 -1.813 -0.055 4.564 1.00 0.00 N ATOM 591 CA GLN A 34 -0.818 -0.881 5.225 1.00 0.00 C ATOM 592 C GLN A 34 -1.301 -1.274 6.615 1.00 0.00 C ATOM 593 O GLN A 34 -1.383 -2.463 6.888 1.00 0.00 O ATOM 594 CB GLN A 34 0.551 -0.175 5.250 1.00 0.00 C ATOM 595 CG GLN A 34 1.726 -1.097 4.921 1.00 0.00 C ATOM 596 CD GLN A 34 1.497 -1.861 3.621 1.00 0.00 C ATOM 597 OE1 GLN A 34 1.563 -3.081 3.611 1.00 0.00 O ATOM 598 NE2 GLN A 34 1.170 -1.161 2.533 1.00 0.00 N ATOM 0 H GLN A 34 -1.493 0.897 4.384 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.682 -1.802 4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.537 0.650 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.707 0.260 6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.639 -0.508 4.841 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.873 -1.804 5.737 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.124 -0.143 2.576 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.966 -1.644 1.658 1.00 0.00 H new ATOM 607 N ILE A 35 -1.644 -0.308 7.478 1.00 0.00 N ATOM 608 CA ILE A 35 -2.139 -0.582 8.828 1.00 0.00 C ATOM 609 C ILE A 35 -3.161 -1.715 8.817 1.00 0.00 C ATOM 610 O ILE A 35 -2.973 -2.714 9.505 1.00 0.00 O ATOM 611 CB ILE A 35 -2.773 0.683 9.449 1.00 0.00 C ATOM 612 CG1 ILE A 35 -1.805 1.875 9.557 1.00 0.00 C ATOM 613 CG2 ILE A 35 -3.403 0.367 10.818 1.00 0.00 C ATOM 614 CD1 ILE A 35 -0.551 1.589 10.386 1.00 0.00 C ATOM 0 H ILE A 35 -1.585 0.686 7.256 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.286 -0.885 9.435 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.556 0.993 8.757 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.503 2.176 8.554 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.334 2.720 9.998 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.842 1.273 11.234 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.179 -0.389 10.696 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.635 -0.007 11.494 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.078 2.479 10.413 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -0.840 1.318 11.401 1.00 0.00 H new ATOM 0 HD13 ILE A 35 0.003 0.766 9.935 1.00 0.00 H new ATOM 626 N HIS A 36 -4.223 -1.559 8.025 1.00 0.00 N ATOM 627 CA HIS A 36 -5.310 -2.521 7.968 1.00 0.00 C ATOM 628 C HIS A 36 -4.795 -3.851 7.417 1.00 0.00 C ATOM 629 O HIS A 36 -5.024 -4.890 8.031 1.00 0.00 O ATOM 630 CB HIS A 36 -6.475 -1.948 7.155 1.00 0.00 C ATOM 631 CG HIS A 36 -7.289 -0.935 7.927 1.00 0.00 C ATOM 632 ND1 HIS A 36 -8.623 -1.187 8.249 1.00 0.00 N ATOM 633 CD2 HIS A 36 -6.935 0.285 8.450 1.00 0.00 C ATOM 634 CE1 HIS A 36 -9.019 -0.119 8.947 1.00 0.00 C ATOM 635 NE2 HIS A 36 -8.043 0.787 9.102 1.00 0.00 N ATOM 0 H HIS A 36 -4.348 -0.758 7.406 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.692 -2.717 8.970 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.085 -1.480 6.251 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -7.125 -2.763 6.837 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.970 0.762 8.367 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.016 0.001 9.343 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -8.107 1.673 9.603 1.00 0.00 H new ATOM 643 N ALA A 37 -4.078 -3.816 6.287 1.00 0.00 N ATOM 644 CA ALA A 37 -3.473 -4.994 5.682 1.00 0.00 C ATOM 645 C ALA A 37 -2.681 -5.821 6.694 1.00 0.00 C ATOM 646 O ALA A 37 -3.042 -6.957 6.988 1.00 0.00 O ATOM 647 CB ALA A 37 -2.583 -4.561 4.512 1.00 0.00 C ATOM 0 H ALA A 37 -3.904 -2.956 5.767 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.272 -5.638 5.314 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.128 -5.440 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.186 -4.039 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.801 -3.896 4.877 1.00 0.00 H new ATOM 653 N ILE A 38 -1.603 -5.232 7.218 1.00 0.00 N ATOM 654 CA ILE A 38 -0.729 -5.794 8.237 1.00 0.00 C ATOM 655 C ILE A 38 -1.561 -6.388 9.375 1.00 0.00 C ATOM 656 O ILE A 38 -1.360 -7.548 9.735 1.00 0.00 O ATOM 657 CB ILE A 38 0.258 -4.690 8.687 1.00 0.00 C ATOM 658 CG1 ILE A 38 1.510 -4.691 7.785 1.00 0.00 C ATOM 659 CG2 ILE A 38 0.699 -4.800 10.151 1.00 0.00 C ATOM 660 CD1 ILE A 38 1.215 -4.545 6.287 1.00 0.00 C ATOM 0 H ILE A 38 -1.306 -4.302 6.924 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.138 -6.623 7.847 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.292 -3.754 8.592 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.166 -3.877 8.094 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.057 -5.620 7.946 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.389 -3.989 10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.174 -4.732 10.800 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.196 -5.757 10.310 1.00 0.00 H new ATOM 0 HD11 ILE A 38 2.151 -4.556 5.729 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.587 -5.373 5.958 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.697 -3.603 6.108 1.00 0.00 H new ATOM 672 N ARG A 39 -2.508 -5.608 9.912 1.00 0.00 N ATOM 673 CA ARG A 39 -3.328 -6.009 11.044 1.00 0.00 C ATOM 674 C ARG A 39 -4.071 -7.311 10.744 1.00 0.00 C ATOM 675 O ARG A 39 -4.161 -8.195 11.593 1.00 0.00 O ATOM 676 CB ARG A 39 -4.268 -4.843 11.384 1.00 0.00 C ATOM 677 CG ARG A 39 -4.892 -4.925 12.774 1.00 0.00 C ATOM 678 CD ARG A 39 -6.246 -5.634 12.781 1.00 0.00 C ATOM 679 NE ARG A 39 -6.784 -5.688 14.146 1.00 0.00 N ATOM 680 CZ ARG A 39 -7.813 -6.452 14.546 1.00 0.00 C ATOM 681 NH1 ARG A 39 -8.472 -7.228 13.674 1.00 0.00 N ATOM 682 NH2 ARG A 39 -8.183 -6.437 15.834 1.00 0.00 N ATOM 0 H ARG A 39 -2.722 -4.674 9.564 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.710 -6.221 11.916 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.713 -3.908 11.302 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -5.066 -4.806 10.642 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -4.210 -5.451 13.442 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -5.014 -3.917 13.171 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -6.943 -5.108 12.128 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.138 -6.644 12.385 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.339 -5.096 14.848 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.193 -7.243 12.693 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.252 -7.803 13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -7.684 -5.848 16.501 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -8.964 -7.014 16.147 1.00 0.00 H new ATOM 696 N LEU A 40 -4.585 -7.413 9.515 1.00 0.00 N ATOM 697 CA LEU A 40 -5.376 -8.531 9.022 1.00 0.00 C ATOM 698 C LEU A 40 -4.534 -9.592 8.291 1.00 0.00 C ATOM 699 O LEU A 40 -5.100 -10.444 7.608 1.00 0.00 O ATOM 700 CB LEU A 40 -6.485 -7.971 8.126 1.00 0.00 C ATOM 701 CG LEU A 40 -7.382 -6.964 8.869 1.00 0.00 C ATOM 702 CD1 LEU A 40 -8.257 -6.257 7.838 1.00 0.00 C ATOM 703 CD2 LEU A 40 -8.257 -7.637 9.934 1.00 0.00 C ATOM 0 H LEU A 40 -4.453 -6.686 8.812 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.809 -9.056 9.874 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.038 -7.485 7.259 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.096 -8.792 7.752 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.746 -6.251 9.394 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.903 -5.537 8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.624 -5.736 7.119 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.870 -6.992 7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.871 -6.885 10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.902 -8.377 9.460 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.621 -8.128 10.670 1.00 0.00 H new ATOM 715 N GLY A 41 -3.201 -9.573 8.442 1.00 0.00 N ATOM 716 CA GLY A 41 -2.303 -10.579 7.885 1.00 0.00 C ATOM 717 C GLY A 41 -2.399 -10.693 6.362 1.00 0.00 C ATOM 718 O GLY A 41 -2.510 -11.795 5.828 1.00 0.00 O ATOM 0 H GLY A 41 -2.715 -8.844 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.277 -10.334 8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -2.531 -11.547 8.331 1.00 0.00 H new ATOM 722 N ILE A 42 -2.345 -9.549 5.674 1.00 0.00 N ATOM 723 CA ILE A 42 -2.384 -9.435 4.224 1.00 0.00 C ATOM 724 C ILE A 42 -0.946 -9.265 3.728 1.00 0.00 C ATOM 725 O ILE A 42 -0.144 -8.592 4.377 1.00 0.00 O ATOM 726 CB ILE A 42 -3.264 -8.226 3.858 1.00 0.00 C ATOM 727 CG1 ILE A 42 -4.696 -8.328 4.401 1.00 0.00 C ATOM 728 CG2 ILE A 42 -3.312 -7.879 2.365 1.00 0.00 C ATOM 729 CD1 ILE A 42 -5.494 -9.539 3.926 1.00 0.00 C ATOM 0 H ILE A 42 -2.270 -8.643 6.137 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.811 -10.320 3.753 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.749 -7.406 4.359 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.652 -8.348 5.490 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.238 -7.425 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -3.958 -7.014 2.213 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.307 -7.648 2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.706 -8.728 1.807 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -6.490 -9.515 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.578 -9.516 2.840 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -4.984 -10.453 4.231 1.00 0.00 H new ATOM 741 N LYS A 43 -0.636 -9.865 2.574 1.00 0.00 N ATOM 742 CA LYS A 43 0.652 -9.734 1.894 1.00 0.00 C ATOM 743 C LYS A 43 0.472 -8.790 0.702 1.00 0.00 C ATOM 744 O LYS A 43 -0.661 -8.478 0.350 1.00 0.00 O ATOM 745 CB LYS A 43 1.164 -11.099 1.427 1.00 0.00 C ATOM 746 CG LYS A 43 1.159 -12.163 2.530 1.00 0.00 C ATOM 747 CD LYS A 43 1.798 -13.460 2.013 1.00 0.00 C ATOM 748 CE LYS A 43 1.902 -14.528 3.108 1.00 0.00 C ATOM 749 NZ LYS A 43 0.584 -14.947 3.544 1.00 0.00 N ATOM 0 H LYS A 43 -1.291 -10.469 2.077 1.00 0.00 H new ATOM 0 HA LYS A 43 1.392 -9.327 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.548 -11.445 0.597 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.179 -10.987 1.046 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.707 -11.800 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.137 -12.356 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.208 -13.849 1.183 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.792 -13.243 1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.456 -15.388 2.732 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.462 -14.133 3.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.617 -15.943 3.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.279 -14.356 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.091 -14.843 2.759 1.00 0.00 H new ATOM 762 N GLY A 44 1.553 -8.346 0.054 1.00 0.00 N ATOM 763 CA GLY A 44 1.415 -7.508 -1.132 1.00 0.00 C ATOM 764 C GLY A 44 2.595 -6.570 -1.334 1.00 0.00 C ATOM 765 O GLY A 44 3.712 -6.887 -0.933 1.00 0.00 O ATOM 0 H GLY A 44 2.514 -8.550 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.309 -8.145 -2.010 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.500 -6.921 -1.052 1.00 0.00 H new ATOM 769 N TYR A 45 2.321 -5.412 -1.953 1.00 0.00 N ATOM 770 CA TYR A 45 3.259 -4.307 -2.105 1.00 0.00 C ATOM 771 C TYR A 45 2.513 -3.085 -2.660 1.00 0.00 C ATOM 772 O TYR A 45 1.621 -3.237 -3.498 1.00 0.00 O ATOM 773 CB TYR A 45 4.412 -4.709 -3.020 1.00 0.00 C ATOM 774 CG TYR A 45 5.654 -3.857 -2.925 1.00 0.00 C ATOM 775 CD1 TYR A 45 6.594 -4.119 -1.912 1.00 0.00 C ATOM 776 CD2 TYR A 45 5.982 -2.980 -3.973 1.00 0.00 C ATOM 777 CE1 TYR A 45 7.862 -3.514 -1.953 1.00 0.00 C ATOM 778 CE2 TYR A 45 7.253 -2.387 -4.022 1.00 0.00 C ATOM 779 CZ TYR A 45 8.197 -2.661 -3.017 1.00 0.00 C ATOM 780 OH TYR A 45 9.445 -2.115 -3.073 1.00 0.00 O ATOM 0 H TYR A 45 1.411 -5.220 -2.372 1.00 0.00 H new ATOM 0 HA TYR A 45 3.683 -4.051 -1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.684 -5.741 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.058 -4.688 -4.051 1.00 0.00 H new ATOM 0 HD1 TYR A 45 6.341 -4.786 -1.101 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.255 -2.762 -4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 45 8.578 -3.705 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 45 7.506 -1.720 -4.832 1.00 0.00 H new ATOM 0 HH TYR A 45 9.603 -1.752 -3.970 1.00 0.00 H new ATOM 790 N ALA A 46 2.852 -1.889 -2.161 1.00 0.00 N ATOM 791 CA ALA A 46 2.106 -0.651 -2.401 1.00 0.00 C ATOM 792 C ALA A 46 2.949 0.325 -3.215 1.00 0.00 C ATOM 793 O ALA A 46 3.696 1.123 -2.653 1.00 0.00 O ATOM 794 CB ALA A 46 1.667 -0.022 -1.069 1.00 0.00 C ATOM 0 H ALA A 46 3.670 -1.754 -1.567 1.00 0.00 H new ATOM 0 HA ALA A 46 1.210 -0.887 -2.974 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.114 0.897 -1.265 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.029 -0.721 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.547 0.205 -0.467 1.00 0.00 H new ATOM 800 N LYS A 47 2.837 0.240 -4.544 1.00 0.00 N ATOM 801 CA LYS A 47 3.770 0.861 -5.461 1.00 0.00 C ATOM 802 C LYS A 47 3.158 2.099 -6.098 1.00 0.00 C ATOM 803 O LYS A 47 2.428 2.017 -7.086 1.00 0.00 O ATOM 804 CB LYS A 47 4.212 -0.185 -6.483 1.00 0.00 C ATOM 805 CG LYS A 47 5.245 0.355 -7.481 1.00 0.00 C ATOM 806 CD LYS A 47 5.614 -0.680 -8.550 1.00 0.00 C ATOM 807 CE LYS A 47 6.474 -1.815 -7.983 1.00 0.00 C ATOM 808 NZ LYS A 47 6.854 -2.721 -9.050 1.00 0.00 N ATOM 0 H LYS A 47 2.085 -0.269 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 47 4.655 1.211 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.634 -1.042 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.339 -0.544 -7.029 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.849 1.248 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.144 0.656 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.703 -1.096 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.153 -0.188 -9.360 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.365 -1.406 -7.506 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.920 -2.355 -7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 7.437 -3.490 -8.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.999 -3.122 -9.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.399 -2.202 -9.768 1.00 0.00 H new ATOM 821 N ASN A 48 3.503 3.255 -5.535 1.00 0.00 N ATOM 822 CA ASN A 48 3.196 4.542 -6.104 1.00 0.00 C ATOM 823 C ASN A 48 4.139 4.852 -7.269 1.00 0.00 C ATOM 824 O ASN A 48 5.340 4.995 -7.064 1.00 0.00 O ATOM 825 CB ASN A 48 3.255 5.589 -4.991 1.00 0.00 C ATOM 826 CG ASN A 48 4.376 5.399 -3.972 1.00 0.00 C ATOM 827 OD1 ASN A 48 4.087 5.092 -2.823 1.00 0.00 O ATOM 828 ND2 ASN A 48 5.638 5.548 -4.374 1.00 0.00 N ATOM 0 H ASN A 48 4.013 3.312 -4.654 1.00 0.00 H new ATOM 0 HA ASN A 48 2.190 4.549 -6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 48 3.364 6.573 -5.447 1.00 0.00 H new ATOM 0 HB3 ASN A 48 2.302 5.586 -4.462 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.403 5.405 -3.715 1.00 0.00 H new ATOM 0 HD22 ASN A 48 5.838 5.805 -5.341 1.00 0.00 H new ATOM 835 N LEU A 49 3.603 4.953 -8.491 1.00 0.00 N ATOM 836 CA LEU A 49 4.368 5.214 -9.697 1.00 0.00 C ATOM 837 C LEU A 49 4.394 6.730 -9.903 1.00 0.00 C ATOM 838 O LEU A 49 3.362 7.299 -10.259 1.00 0.00 O ATOM 839 CB LEU A 49 3.720 4.497 -10.887 1.00 0.00 C ATOM 840 CG LEU A 49 3.477 3.004 -10.603 1.00 0.00 C ATOM 841 CD1 LEU A 49 2.000 2.761 -10.278 1.00 0.00 C ATOM 842 CD2 LEU A 49 3.880 2.131 -11.796 1.00 0.00 C ATOM 0 H LEU A 49 2.603 4.852 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 49 5.388 4.839 -9.609 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.772 4.979 -11.127 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.360 4.599 -11.763 1.00 0.00 H new ATOM 0 HG LEU A 49 4.095 2.729 -9.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.841 1.701 -10.079 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.721 3.341 -9.399 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.386 3.067 -11.125 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.695 1.083 -11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.293 2.415 -12.669 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.940 2.273 -12.009 1.00 0.00 H new ATOM 854 N PRO A 50 5.518 7.408 -9.616 1.00 0.00 N ATOM 855 CA PRO A 50 5.551 8.851 -9.441 1.00 0.00 C ATOM 856 C PRO A 50 5.229 9.584 -10.745 1.00 0.00 C ATOM 857 O PRO A 50 5.610 9.134 -11.824 1.00 0.00 O ATOM 858 CB PRO A 50 6.941 9.168 -8.890 1.00 0.00 C ATOM 859 CG PRO A 50 7.802 8.023 -9.425 1.00 0.00 C ATOM 860 CD PRO A 50 6.836 6.840 -9.395 1.00 0.00 C ATOM 0 HA PRO A 50 4.785 9.198 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 50 7.300 10.137 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.944 9.198 -7.800 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.165 8.225 -10.433 1.00 0.00 H new ATOM 0 HG3 PRO A 50 8.678 7.848 -8.800 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.084 6.112 -10.167 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.883 6.319 -8.439 1.00 0.00 H new ATOM 868 N ASP A 51 4.482 10.688 -10.621 1.00 0.00 N ATOM 869 CA ASP A 51 3.902 11.452 -11.717 1.00 0.00 C ATOM 870 C ASP A 51 2.876 10.603 -12.477 1.00 0.00 C ATOM 871 O ASP A 51 3.017 10.367 -13.676 1.00 0.00 O ATOM 872 CB ASP A 51 4.994 12.055 -12.619 1.00 0.00 C ATOM 873 CG ASP A 51 4.422 13.054 -13.622 1.00 0.00 C ATOM 874 OD1 ASP A 51 3.713 13.973 -13.222 1.00 0.00 O ATOM 875 OD2 ASP A 51 4.756 12.851 -14.928 1.00 0.00 O ATOM 0 H ASP A 51 4.259 11.086 -9.709 1.00 0.00 H new ATOM 0 HA ASP A 51 3.358 12.304 -11.309 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.742 12.551 -12.000 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.504 11.255 -13.155 1.00 0.00 H new ATOM 881 N GLY A 52 1.831 10.152 -11.771 1.00 0.00 N ATOM 882 CA GLY A 52 0.736 9.388 -12.337 1.00 0.00 C ATOM 883 C GLY A 52 -0.230 8.967 -11.229 1.00 0.00 C ATOM 884 O GLY A 52 -0.666 9.800 -10.435 1.00 0.00 O ATOM 0 H GLY A 52 1.731 10.317 -10.769 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.211 9.985 -13.082 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.122 8.507 -12.849 1.00 0.00 H new ATOM 888 N SER A 53 -0.562 7.671 -11.192 1.00 0.00 N ATOM 889 CA SER A 53 -1.465 7.051 -10.225 1.00 0.00 C ATOM 890 C SER A 53 -0.728 5.952 -9.457 1.00 0.00 C ATOM 891 O SER A 53 0.344 5.520 -9.880 1.00 0.00 O ATOM 892 CB SER A 53 -2.705 6.509 -10.949 1.00 0.00 C ATOM 893 OG SER A 53 -2.343 5.672 -12.027 1.00 0.00 O ATOM 0 H SER A 53 -0.191 7.000 -11.865 1.00 0.00 H new ATOM 0 HA SER A 53 -1.800 7.793 -9.500 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.325 5.953 -10.246 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.307 7.340 -11.317 1.00 0.00 H new ATOM 0 HG SER A 53 -3.138 5.463 -12.561 1.00 0.00 H new ATOM 899 N VAL A 54 -1.293 5.525 -8.320 1.00 0.00 N ATOM 900 CA VAL A 54 -0.643 4.622 -7.375 1.00 0.00 C ATOM 901 C VAL A 54 -1.416 3.305 -7.263 1.00 0.00 C ATOM 902 O VAL A 54 -2.620 3.320 -7.001 1.00 0.00 O ATOM 903 CB VAL A 54 -0.444 5.327 -6.016 1.00 0.00 C ATOM 904 CG1 VAL A 54 0.285 6.660 -6.216 1.00 0.00 C ATOM 905 CG2 VAL A 54 -1.734 5.620 -5.249 1.00 0.00 C ATOM 0 H VAL A 54 -2.230 5.805 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 54 0.349 4.362 -7.745 1.00 0.00 H new ATOM 0 HB VAL A 54 0.136 4.621 -5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.420 7.149 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.259 6.477 -6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.305 7.303 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -1.493 6.116 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.374 6.268 -5.848 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.255 4.685 -5.044 1.00 0.00 H new ATOM 915 N GLU A 55 -0.735 2.170 -7.488 1.00 0.00 N ATOM 916 CA GLU A 55 -1.354 0.851 -7.437 1.00 0.00 C ATOM 917 C GLU A 55 -0.969 0.125 -6.151 1.00 0.00 C ATOM 918 O GLU A 55 0.159 0.251 -5.677 1.00 0.00 O ATOM 919 CB GLU A 55 -0.973 0.021 -8.676 1.00 0.00 C ATOM 920 CG GLU A 55 0.431 -0.597 -8.614 1.00 0.00 C ATOM 921 CD GLU A 55 0.806 -1.286 -9.922 1.00 0.00 C ATOM 922 OE1 GLU A 55 1.037 -2.493 -9.923 1.00 0.00 O ATOM 923 OE2 GLU A 55 0.861 -0.491 -11.028 1.00 0.00 O ATOM 0 H GLU A 55 0.260 2.149 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.436 0.980 -7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.704 -0.778 -8.803 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.039 0.656 -9.559 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.161 0.181 -8.391 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.475 -1.318 -7.798 1.00 0.00 H new ATOM 931 N VAL A 56 -1.903 -0.666 -5.619 1.00 0.00 N ATOM 932 CA VAL A 56 -1.666 -1.595 -4.530 1.00 0.00 C ATOM 933 C VAL A 56 -1.900 -3.001 -5.068 1.00 0.00 C ATOM 934 O VAL A 56 -2.869 -3.221 -5.793 1.00 0.00 O ATOM 935 CB VAL A 56 -2.609 -1.279 -3.361 1.00 0.00 C ATOM 936 CG1 VAL A 56 -2.309 -2.182 -2.162 1.00 0.00 C ATOM 937 CG2 VAL A 56 -2.442 0.177 -2.920 1.00 0.00 C ATOM 0 H VAL A 56 -2.869 -0.673 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.646 -1.511 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.629 -1.452 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -2.989 -1.940 -1.345 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.443 -3.225 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.281 -2.025 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.117 0.386 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.413 0.345 -2.601 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.676 0.839 -3.754 1.00 0.00 H new ATOM 947 N VAL A 57 -1.023 -3.946 -4.715 1.00 0.00 N ATOM 948 CA VAL A 57 -1.185 -5.352 -5.058 1.00 0.00 C ATOM 949 C VAL A 57 -1.310 -6.136 -3.754 1.00 0.00 C ATOM 950 O VAL A 57 -0.434 -6.923 -3.404 1.00 0.00 O ATOM 951 CB VAL A 57 -0.030 -5.829 -5.958 1.00 0.00 C ATOM 952 CG1 VAL A 57 -0.405 -7.173 -6.600 1.00 0.00 C ATOM 953 CG2 VAL A 57 0.272 -4.821 -7.077 1.00 0.00 C ATOM 0 H VAL A 57 -0.177 -3.750 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.089 -5.517 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 57 0.857 -5.930 -5.333 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.412 -7.512 -7.237 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.586 -7.911 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.307 -7.051 -7.200 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.093 -5.193 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.614 -4.690 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.552 -3.863 -6.638 1.00 0.00 H new ATOM 963 N ALA A 58 -2.411 -5.897 -3.035 1.00 0.00 N ATOM 964 CA ALA A 58 -2.716 -6.530 -1.759 1.00 0.00 C ATOM 965 C ALA A 58 -3.246 -7.942 -1.992 1.00 0.00 C ATOM 966 O ALA A 58 -3.734 -8.237 -3.080 1.00 0.00 O ATOM 967 CB ALA A 58 -3.758 -5.692 -1.022 1.00 0.00 C ATOM 0 H ALA A 58 -3.130 -5.240 -3.337 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.810 -6.594 -1.156 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.991 -6.160 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.364 -4.691 -0.849 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.664 -5.626 -1.624 1.00 0.00 H new ATOM 973 N GLU A 59 -3.103 -8.820 -0.991 1.00 0.00 N ATOM 974 CA GLU A 59 -3.327 -10.243 -1.181 1.00 0.00 C ATOM 975 C GLU A 59 -3.988 -10.835 0.061 1.00 0.00 C ATOM 976 O GLU A 59 -3.312 -10.990 1.079 1.00 0.00 O ATOM 977 CB GLU A 59 -1.977 -10.942 -1.428 1.00 0.00 C ATOM 978 CG GLU A 59 -1.148 -10.299 -2.550 1.00 0.00 C ATOM 979 CD GLU A 59 0.191 -10.995 -2.786 1.00 0.00 C ATOM 980 OE1 GLU A 59 0.918 -10.588 -3.689 1.00 0.00 O ATOM 981 OE2 GLU A 59 0.507 -12.034 -1.963 1.00 0.00 O ATOM 0 H GLU A 59 -2.832 -8.561 -0.042 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.981 -10.394 -2.040 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.396 -10.929 -0.506 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.159 -11.988 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.726 -10.315 -3.474 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.967 -9.252 -2.305 1.00 0.00 H new ATOM 989 N GLY A 60 -5.285 -11.159 -0.004 1.00 0.00 N ATOM 990 CA GLY A 60 -6.040 -11.550 1.176 1.00 0.00 C ATOM 991 C GLY A 60 -6.921 -12.769 0.967 1.00 0.00 C ATOM 992 O GLY A 60 -7.457 -12.993 -0.118 1.00 0.00 O ATOM 0 H GLY A 60 -5.828 -11.156 -0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.344 -11.752 1.990 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.663 -10.713 1.490 1.00 0.00 H new ATOM 996 N TYR A 61 -7.113 -13.518 2.059 1.00 0.00 N ATOM 997 CA TYR A 61 -8.182 -14.483 2.194 1.00 0.00 C ATOM 998 C TYR A 61 -9.519 -13.750 2.131 1.00 0.00 C ATOM 999 O TYR A 61 -9.582 -12.531 2.276 1.00 0.00 O ATOM 1000 CB TYR A 61 -8.023 -15.225 3.520 1.00 0.00 C ATOM 1001 CG TYR A 61 -6.954 -16.298 3.529 1.00 0.00 C ATOM 1002 CD1 TYR A 61 -7.278 -17.614 3.147 1.00 0.00 C ATOM 1003 CD2 TYR A 61 -5.664 -16.011 4.015 1.00 0.00 C ATOM 1004 CE1 TYR A 61 -6.341 -18.647 3.315 1.00 0.00 C ATOM 1005 CE2 TYR A 61 -4.711 -17.036 4.136 1.00 0.00 C ATOM 1006 CZ TYR A 61 -5.049 -18.356 3.790 1.00 0.00 C ATOM 1007 OH TYR A 61 -4.120 -19.346 3.917 1.00 0.00 O ATOM 0 H TYR A 61 -6.513 -13.461 2.882 1.00 0.00 H new ATOM 0 HA TYR A 61 -8.146 -15.213 1.385 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -7.794 -14.499 4.300 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -8.978 -15.682 3.780 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -8.248 -17.829 2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -5.407 -15.000 4.295 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -6.613 -19.665 3.079 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -3.718 -16.810 4.495 1.00 0.00 H new ATOM 0 HH TYR A 61 -3.283 -18.967 4.258 1.00 0.00 H new ATOM 1017 N GLU A 62 -10.592 -14.504 1.907 1.00 0.00 N ATOM 1018 CA GLU A 62 -11.910 -13.960 1.636 1.00 0.00 C ATOM 1019 C GLU A 62 -12.585 -13.487 2.922 1.00 0.00 C ATOM 1020 O GLU A 62 -13.288 -12.477 2.913 1.00 0.00 O ATOM 1021 CB GLU A 62 -12.773 -14.993 0.916 1.00 0.00 C ATOM 1022 CG GLU A 62 -12.126 -15.583 -0.354 1.00 0.00 C ATOM 1023 CD GLU A 62 -10.982 -16.573 -0.098 1.00 0.00 C ATOM 1024 OE1 GLU A 62 -10.940 -17.198 0.961 1.00 0.00 O ATOM 1025 OE2 GLU A 62 -10.046 -16.677 -1.086 1.00 0.00 O ATOM 0 H GLU A 62 -10.565 -15.524 1.910 1.00 0.00 H new ATOM 0 HA GLU A 62 -11.794 -13.093 0.985 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -12.999 -15.806 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -13.723 -14.531 0.645 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.898 -16.086 -0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.748 -14.764 -0.965 1.00 0.00 H new ATOM 1033 N GLU A 63 -12.331 -14.186 4.035 1.00 0.00 N ATOM 1034 CA GLU A 63 -12.786 -13.799 5.357 1.00 0.00 C ATOM 1035 C GLU A 63 -12.057 -12.548 5.862 1.00 0.00 C ATOM 1036 O GLU A 63 -12.461 -11.992 6.880 1.00 0.00 O ATOM 1037 CB GLU A 63 -12.581 -14.981 6.308 1.00 0.00 C ATOM 1038 CG GLU A 63 -13.382 -16.214 5.866 1.00 0.00 C ATOM 1039 CD GLU A 63 -13.229 -17.364 6.856 1.00 0.00 C ATOM 1040 OE1 GLU A 63 -14.224 -17.816 7.418 1.00 0.00 O ATOM 1041 OE2 GLU A 63 -11.959 -17.824 7.046 1.00 0.00 O ATOM 0 H GLU A 63 -11.792 -15.052 4.031 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.845 -13.543 5.312 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.521 -15.233 6.352 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.882 -14.694 7.315 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.436 -15.951 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.045 -16.534 4.880 1.00 0.00 H new ATOM 1049 N ALA A 64 -11.010 -12.093 5.157 1.00 0.00 N ATOM 1050 CA ALA A 64 -10.327 -10.833 5.409 1.00 0.00 C ATOM 1051 C ALA A 64 -10.386 -9.898 4.196 1.00 0.00 C ATOM 1052 O ALA A 64 -9.787 -8.824 4.247 1.00 0.00 O ATOM 1053 CB ALA A 64 -8.877 -11.144 5.786 1.00 0.00 C ATOM 0 H ALA A 64 -10.610 -12.613 4.376 1.00 0.00 H new ATOM 0 HA ALA A 64 -10.827 -10.311 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.344 -10.213 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.859 -11.766 6.681 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.394 -11.675 4.966 1.00 0.00 H new ATOM 1059 N LEU A 65 -11.096 -10.264 3.113 1.00 0.00 N ATOM 1060 CA LEU A 65 -11.144 -9.427 1.921 1.00 0.00 C ATOM 1061 C LEU A 65 -11.985 -8.181 2.202 1.00 0.00 C ATOM 1062 O LEU A 65 -11.445 -7.079 2.282 1.00 0.00 O ATOM 1063 CB LEU A 65 -11.638 -10.247 0.731 1.00 0.00 C ATOM 1064 CG LEU A 65 -11.659 -9.467 -0.582 1.00 0.00 C ATOM 1065 CD1 LEU A 65 -10.260 -9.062 -1.060 1.00 0.00 C ATOM 1066 CD2 LEU A 65 -12.309 -10.367 -1.626 1.00 0.00 C ATOM 0 H LEU A 65 -11.636 -11.127 3.048 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.147 -9.075 1.657 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.000 -11.123 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -12.643 -10.611 0.944 1.00 0.00 H new ATOM 0 HG LEU A 65 -12.212 -8.540 -0.430 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.341 -8.511 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.787 -8.431 -0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.656 -9.956 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.345 -9.847 -2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -11.726 -11.282 -1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -13.322 -10.617 -1.311 1.00 0.00 H new ATOM 1078 N SER A 66 -13.298 -8.371 2.379 1.00 0.00 N ATOM 1079 CA SER A 66 -14.265 -7.337 2.736 1.00 0.00 C ATOM 1080 C SER A 66 -13.773 -6.422 3.860 1.00 0.00 C ATOM 1081 O SER A 66 -13.952 -5.209 3.774 1.00 0.00 O ATOM 1082 CB SER A 66 -15.587 -8.019 3.115 1.00 0.00 C ATOM 1083 OG SER A 66 -15.396 -8.968 4.146 1.00 0.00 O ATOM 0 H SER A 66 -13.729 -9.289 2.272 1.00 0.00 H new ATOM 0 HA SER A 66 -14.409 -6.687 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 66 -16.307 -7.267 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 66 -16.010 -8.510 2.239 1.00 0.00 H new ATOM 0 HG SER A 66 -16.254 -9.386 4.369 1.00 0.00 H new ATOM 1089 N LYS A 67 -13.151 -7.000 4.895 1.00 0.00 N ATOM 1090 CA LYS A 67 -12.655 -6.278 6.062 1.00 0.00 C ATOM 1091 C LYS A 67 -11.739 -5.123 5.646 1.00 0.00 C ATOM 1092 O LYS A 67 -11.925 -3.997 6.104 1.00 0.00 O ATOM 1093 CB LYS A 67 -11.925 -7.241 7.010 1.00 0.00 C ATOM 1094 CG LYS A 67 -12.865 -8.081 7.888 1.00 0.00 C ATOM 1095 CD LYS A 67 -13.806 -8.989 7.090 1.00 0.00 C ATOM 1096 CE LYS A 67 -14.566 -9.941 8.019 1.00 0.00 C ATOM 1097 NZ LYS A 67 -15.358 -10.864 7.230 1.00 0.00 N ATOM 0 H LYS A 67 -12.977 -8.004 4.941 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.507 -5.851 6.590 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.299 -7.911 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.259 -6.666 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.267 -8.695 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.460 -7.413 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.514 -8.381 6.528 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.233 -9.564 6.363 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.864 -10.492 8.645 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.212 -9.373 8.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.057 -11.332 7.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.851 -10.343 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -14.735 -11.580 6.805 1.00 0.00 H new ATOM 1110 N LEU A 68 -10.772 -5.395 4.760 1.00 0.00 N ATOM 1111 CA LEU A 68 -9.918 -4.363 4.189 1.00 0.00 C ATOM 1112 C LEU A 68 -10.714 -3.522 3.190 1.00 0.00 C ATOM 1113 O LEU A 68 -10.699 -2.299 3.281 1.00 0.00 O ATOM 1114 CB LEU A 68 -8.660 -4.994 3.570 1.00 0.00 C ATOM 1115 CG LEU A 68 -7.816 -4.030 2.715 1.00 0.00 C ATOM 1116 CD1 LEU A 68 -7.461 -2.720 3.427 1.00 0.00 C ATOM 1117 CD2 LEU A 68 -6.505 -4.723 2.331 1.00 0.00 C ATOM 0 H LEU A 68 -10.566 -6.336 4.424 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.576 -3.689 4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.036 -5.390 4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.960 -5.840 2.952 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.425 -3.778 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -6.866 -2.094 2.762 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.376 -2.194 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.888 -2.939 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.900 -4.048 1.725 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.956 -4.990 3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.724 -5.625 1.760 1.00 0.00 H new ATOM 1129 N LEU A 69 -11.390 -4.151 2.224 1.00 0.00 N ATOM 1130 CA LEU A 69 -11.995 -3.410 1.124 1.00 0.00 C ATOM 1131 C LEU A 69 -12.888 -2.274 1.628 1.00 0.00 C ATOM 1132 O LEU A 69 -12.665 -1.115 1.285 1.00 0.00 O ATOM 1133 CB LEU A 69 -12.817 -4.360 0.232 1.00 0.00 C ATOM 1134 CG LEU A 69 -12.138 -4.761 -1.086 1.00 0.00 C ATOM 1135 CD1 LEU A 69 -11.941 -3.573 -2.037 1.00 0.00 C ATOM 1136 CD2 LEU A 69 -10.812 -5.478 -0.829 1.00 0.00 C ATOM 0 H LEU A 69 -11.529 -5.161 2.185 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.186 -2.969 0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.040 -5.264 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -13.771 -3.885 0.002 1.00 0.00 H new ATOM 0 HG LEU A 69 -12.816 -5.455 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -11.457 -3.915 -2.952 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.910 -3.137 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.316 -2.821 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.355 -5.750 -1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.141 -4.817 -0.280 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.993 -6.379 -0.243 1.00 0.00 H new ATOM 1148 N GLU A 70 -13.884 -2.622 2.452 1.00 0.00 N ATOM 1149 CA GLU A 70 -14.886 -1.709 2.986 1.00 0.00 C ATOM 1150 C GLU A 70 -14.261 -0.508 3.701 1.00 0.00 C ATOM 1151 O GLU A 70 -14.748 0.606 3.527 1.00 0.00 O ATOM 1152 CB GLU A 70 -15.835 -2.469 3.916 1.00 0.00 C ATOM 1153 CG GLU A 70 -16.766 -3.398 3.130 1.00 0.00 C ATOM 1154 CD GLU A 70 -17.785 -4.052 4.057 1.00 0.00 C ATOM 1155 OE1 GLU A 70 -17.654 -5.235 4.364 1.00 0.00 O ATOM 1156 OE2 GLU A 70 -18.798 -3.247 4.487 1.00 0.00 O ATOM 0 H GLU A 70 -14.013 -3.582 2.773 1.00 0.00 H new ATOM 0 HA GLU A 70 -15.451 -1.307 2.145 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -15.255 -3.053 4.631 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.429 -1.759 4.491 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -17.283 -2.832 2.355 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -16.180 -4.167 2.626 1.00 0.00 H new ATOM 1164 N ARG A 71 -13.184 -0.723 4.472 1.00 0.00 N ATOM 1165 CA ARG A 71 -12.349 0.340 5.035 1.00 0.00 C ATOM 1166 C ARG A 71 -12.068 1.416 3.989 1.00 0.00 C ATOM 1167 O ARG A 71 -12.265 2.598 4.257 1.00 0.00 O ATOM 1168 CB ARG A 71 -11.067 -0.264 5.641 1.00 0.00 C ATOM 1169 CG ARG A 71 -9.746 0.430 5.276 1.00 0.00 C ATOM 1170 CD ARG A 71 -9.680 1.855 5.838 1.00 0.00 C ATOM 1171 NE ARG A 71 -9.538 2.890 4.800 1.00 0.00 N ATOM 1172 CZ ARG A 71 -8.483 3.097 3.995 1.00 0.00 C ATOM 1173 NH1 ARG A 71 -7.387 2.333 4.074 1.00 0.00 N ATOM 1174 NH2 ARG A 71 -8.528 4.084 3.091 1.00 0.00 N ATOM 0 H ARG A 71 -12.866 -1.659 4.724 1.00 0.00 H new ATOM 0 HA ARG A 71 -12.883 0.835 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -11.167 -0.259 6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -11.002 -1.307 5.332 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.910 -0.153 5.663 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.639 0.461 4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.584 2.052 6.415 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -8.839 1.926 6.528 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.330 3.521 4.679 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.341 1.576 4.756 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.597 2.508 3.453 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -9.359 4.671 3.018 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.731 4.249 2.475 1.00 0.00 H new ATOM 1188 N ILE A 72 -11.599 1.006 2.809 1.00 0.00 N ATOM 1189 CA ILE A 72 -11.169 1.930 1.770 1.00 0.00 C ATOM 1190 C ILE A 72 -12.374 2.673 1.187 1.00 0.00 C ATOM 1191 O ILE A 72 -12.372 3.903 1.181 1.00 0.00 O ATOM 1192 CB ILE A 72 -10.268 1.262 0.714 1.00 0.00 C ATOM 1193 CG1 ILE A 72 -9.188 0.379 1.372 1.00 0.00 C ATOM 1194 CG2 ILE A 72 -9.558 2.359 -0.097 1.00 0.00 C ATOM 1195 CD1 ILE A 72 -8.377 -0.425 0.354 1.00 0.00 C ATOM 0 H ILE A 72 -11.508 0.023 2.551 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.526 2.683 2.225 1.00 0.00 H new ATOM 0 HB ILE A 72 -10.895 0.637 0.078 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -8.513 1.010 1.951 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -9.664 -0.307 2.073 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.917 1.898 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -10.301 2.986 -0.589 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.952 2.971 0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -7.633 -1.027 0.875 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -9.044 -1.079 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.875 0.257 -0.332 1.00 0.00 H new ATOM 1207 N LYS A 73 -13.402 1.946 0.730 1.00 0.00 N ATOM 1208 CA LYS A 73 -14.607 2.554 0.172 1.00 0.00 C ATOM 1209 C LYS A 73 -15.228 3.568 1.142 1.00 0.00 C ATOM 1210 O LYS A 73 -15.592 4.668 0.731 1.00 0.00 O ATOM 1211 CB LYS A 73 -15.639 1.475 -0.190 1.00 0.00 C ATOM 1212 CG LYS A 73 -15.374 0.761 -1.528 1.00 0.00 C ATOM 1213 CD LYS A 73 -14.335 -0.364 -1.458 1.00 0.00 C ATOM 1214 CE LYS A 73 -12.941 0.062 -1.939 1.00 0.00 C ATOM 1215 NZ LYS A 73 -12.888 0.099 -3.388 1.00 0.00 N ATOM 0 H LYS A 73 -13.418 0.926 0.738 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.315 3.086 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -15.662 0.731 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -16.627 1.933 -0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.313 0.348 -1.896 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -15.042 1.499 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -14.264 -0.719 -0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.679 -1.204 -2.062 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.696 1.045 -1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.192 -0.633 -1.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.070 0.666 -3.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.794 -0.869 -3.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.761 0.527 -3.757 1.00 0.00 H new ATOM 1228 N GLN A 74 -15.358 3.193 2.422 1.00 0.00 N ATOM 1229 CA GLN A 74 -15.992 4.011 3.447 1.00 0.00 C ATOM 1230 C GLN A 74 -15.102 5.198 3.810 1.00 0.00 C ATOM 1231 O GLN A 74 -15.555 6.339 3.760 1.00 0.00 O ATOM 1232 CB GLN A 74 -16.329 3.142 4.671 1.00 0.00 C ATOM 1233 CG GLN A 74 -17.040 3.916 5.793 1.00 0.00 C ATOM 1234 CD GLN A 74 -16.078 4.707 6.682 1.00 0.00 C ATOM 1235 OE1 GLN A 74 -16.115 5.935 6.710 1.00 0.00 O ATOM 1236 NE2 GLN A 74 -15.214 4.005 7.417 1.00 0.00 N ATOM 0 H GLN A 74 -15.018 2.298 2.773 1.00 0.00 H new ATOM 0 HA GLN A 74 -16.926 4.419 3.062 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -16.961 2.312 4.355 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -15.409 2.710 5.065 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -17.763 4.602 5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -17.602 3.215 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -15.213 2.986 7.368 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -14.555 4.487 8.028 1.00 0.00 H new ATOM 1245 N GLY A 75 -13.857 4.917 4.206 1.00 0.00 N ATOM 1246 CA GLY A 75 -12.890 5.901 4.659 1.00 0.00 C ATOM 1247 C GLY A 75 -11.965 6.312 3.513 1.00 0.00 C ATOM 1248 O GLY A 75 -10.991 5.599 3.264 1.00 0.00 O ATOM 0 H GLY A 75 -13.490 3.965 4.218 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -13.409 6.777 5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -12.302 5.490 5.479 1.00 0.00 H new ATOM 1252 N PRO A 76 -12.214 7.443 2.823 1.00 0.00 N ATOM 1253 CA PRO A 76 -11.326 7.934 1.780 1.00 0.00 C ATOM 1254 C PRO A 76 -9.985 8.336 2.411 1.00 0.00 C ATOM 1255 O PRO A 76 -9.965 8.760 3.566 1.00 0.00 O ATOM 1256 CB PRO A 76 -12.054 9.116 1.135 1.00 0.00 C ATOM 1257 CG PRO A 76 -12.906 9.656 2.282 1.00 0.00 C ATOM 1258 CD PRO A 76 -13.307 8.382 3.024 1.00 0.00 C ATOM 0 HA PRO A 76 -11.098 7.186 1.021 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -11.356 9.866 0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.666 8.801 0.290 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -12.343 10.337 2.920 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.775 10.205 1.919 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -13.462 8.580 4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.243 7.981 2.635 1.00 0.00 H new ATOM 1266 N PRO A 77 -8.855 8.142 1.714 1.00 0.00 N ATOM 1267 CA PRO A 77 -7.569 7.952 2.370 1.00 0.00 C ATOM 1268 C PRO A 77 -6.822 9.252 2.694 1.00 0.00 C ATOM 1269 O PRO A 77 -5.633 9.369 2.403 1.00 0.00 O ATOM 1270 CB PRO A 77 -6.793 7.056 1.405 1.00 0.00 C ATOM 1271 CG PRO A 77 -7.285 7.537 0.041 1.00 0.00 C ATOM 1272 CD PRO A 77 -8.771 7.751 0.314 1.00 0.00 C ATOM 0 HA PRO A 77 -7.695 7.508 3.357 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.715 7.179 1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -7.012 6.000 1.566 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -6.789 8.455 -0.274 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -7.114 6.798 -0.741 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.182 8.524 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.340 6.841 0.126 1.00 0.00 H new ATOM 1280 N ALA A 78 -7.508 10.215 3.324 1.00 0.00 N ATOM 1281 CA ALA A 78 -6.942 11.498 3.732 1.00 0.00 C ATOM 1282 C ALA A 78 -6.335 12.249 2.542 1.00 0.00 C ATOM 1283 O ALA A 78 -5.280 12.869 2.667 1.00 0.00 O ATOM 1284 CB ALA A 78 -5.924 11.280 4.862 1.00 0.00 C ATOM 0 H ALA A 78 -8.494 10.117 3.567 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.743 12.131 4.114 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.504 12.240 5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -6.421 10.817 5.715 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.124 10.628 4.510 1.00 0.00 H new ATOM 1290 N ALA A 79 -6.981 12.147 1.375 1.00 0.00 N ATOM 1291 CA ALA A 79 -6.433 12.574 0.105 1.00 0.00 C ATOM 1292 C ALA A 79 -7.576 12.841 -0.872 1.00 0.00 C ATOM 1293 O ALA A 79 -8.691 12.358 -0.670 1.00 0.00 O ATOM 1294 CB ALA A 79 -5.571 11.434 -0.419 1.00 0.00 C ATOM 0 H ALA A 79 -7.919 11.755 1.297 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.845 13.485 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.138 11.717 -1.378 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.772 11.225 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -6.185 10.543 -0.547 1.00 0.00 H new ATOM 1300 N GLU A 80 -7.292 13.588 -1.945 1.00 0.00 N ATOM 1301 CA GLU A 80 -8.284 13.946 -2.951 1.00 0.00 C ATOM 1302 C GLU A 80 -8.403 12.814 -3.974 1.00 0.00 C ATOM 1303 O GLU A 80 -7.902 12.909 -5.094 1.00 0.00 O ATOM 1304 CB GLU A 80 -7.933 15.294 -3.598 1.00 0.00 C ATOM 1305 CG GLU A 80 -8.047 16.475 -2.624 1.00 0.00 C ATOM 1306 CD GLU A 80 -6.913 16.514 -1.602 1.00 0.00 C ATOM 1307 OE1 GLU A 80 -7.169 16.385 -0.408 1.00 0.00 O ATOM 1308 OE2 GLU A 80 -5.658 16.687 -2.109 1.00 0.00 O ATOM 0 H GLU A 80 -6.362 13.960 -2.136 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.260 14.072 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.916 15.249 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -8.594 15.466 -4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.052 17.407 -3.190 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.000 16.416 -2.099 1.00 0.00 H new ATOM 1316 N VAL A 81 -9.082 11.740 -3.558 1.00 0.00 N ATOM 1317 CA VAL A 81 -9.373 10.572 -4.374 1.00 0.00 C ATOM 1318 C VAL A 81 -10.371 10.914 -5.472 1.00 0.00 C ATOM 1319 O VAL A 81 -11.363 11.604 -5.240 1.00 0.00 O ATOM 1320 CB VAL A 81 -9.838 9.415 -3.472 1.00 0.00 C ATOM 1321 CG1 VAL A 81 -11.165 9.687 -2.752 1.00 0.00 C ATOM 1322 CG2 VAL A 81 -9.952 8.112 -4.274 1.00 0.00 C ATOM 0 H VAL A 81 -9.454 11.664 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.468 10.242 -4.883 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.072 9.319 -2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -11.427 8.827 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -11.062 10.569 -2.120 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -11.950 9.859 -3.488 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -10.282 7.308 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.675 8.242 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.980 7.859 -4.697 1.00 0.00 H new ATOM 1332 N GLU A 82 -10.070 10.426 -6.677 1.00 0.00 N ATOM 1333 CA GLU A 82 -10.884 10.581 -7.862 1.00 0.00 C ATOM 1334 C GLU A 82 -11.751 9.334 -8.015 1.00 0.00 C ATOM 1335 O GLU A 82 -12.975 9.442 -8.038 1.00 0.00 O ATOM 1336 CB GLU A 82 -9.951 10.820 -9.052 1.00 0.00 C ATOM 1337 CG GLU A 82 -10.709 11.049 -10.362 1.00 0.00 C ATOM 1338 CD GLU A 82 -9.730 11.254 -11.512 1.00 0.00 C ATOM 1339 OE1 GLU A 82 -9.436 10.301 -12.231 1.00 0.00 O ATOM 1340 OE2 GLU A 82 -9.230 12.515 -11.651 1.00 0.00 O ATOM 0 H GLU A 82 -9.218 9.893 -6.850 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.557 11.436 -7.797 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -9.321 11.685 -8.846 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -9.288 9.963 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -11.353 10.195 -10.572 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.357 11.920 -10.267 1.00 0.00 H new ATOM 1348 N LYS A 83 -11.120 8.153 -8.098 1.00 0.00 N ATOM 1349 CA LYS A 83 -11.830 6.881 -8.235 1.00 0.00 C ATOM 1350 C LYS A 83 -10.893 5.700 -7.978 1.00 0.00 C ATOM 1351 O LYS A 83 -9.766 5.703 -8.456 1.00 0.00 O ATOM 1352 CB LYS A 83 -12.470 6.766 -9.633 1.00 0.00 C ATOM 1353 CG LYS A 83 -11.438 6.856 -10.767 1.00 0.00 C ATOM 1354 CD LYS A 83 -12.101 6.877 -12.146 1.00 0.00 C ATOM 1355 CE LYS A 83 -11.014 6.922 -13.226 1.00 0.00 C ATOM 1356 NZ LYS A 83 -11.620 6.982 -14.542 1.00 0.00 N ATOM 0 H LYS A 83 -10.105 8.057 -8.072 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.622 6.855 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.003 5.818 -9.707 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.209 7.558 -9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.837 7.757 -10.640 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.757 6.007 -10.705 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.724 5.992 -12.277 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.755 7.744 -12.235 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.374 7.791 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.378 6.040 -13.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -10.874 7.012 -15.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -12.213 6.140 -14.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.208 7.837 -14.615 1.00 0.00 H new ATOM 1369 N VAL A 84 -11.345 4.676 -7.246 1.00 0.00 N ATOM 1370 CA VAL A 84 -10.586 3.440 -7.079 1.00 0.00 C ATOM 1371 C VAL A 84 -11.175 2.336 -7.960 1.00 0.00 C ATOM 1372 O VAL A 84 -12.135 1.666 -7.586 1.00 0.00 O ATOM 1373 CB VAL A 84 -10.417 3.085 -5.593 1.00 0.00 C ATOM 1374 CG1 VAL A 84 -11.718 3.115 -4.786 1.00 0.00 C ATOM 1375 CG2 VAL A 84 -9.698 1.741 -5.429 1.00 0.00 C ATOM 0 H VAL A 84 -12.240 4.683 -6.758 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.565 3.576 -7.435 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.797 3.877 -5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -11.509 2.853 -3.749 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -12.149 4.115 -4.827 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -12.424 2.398 -5.206 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.591 1.513 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -10.280 0.956 -5.912 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.712 1.797 -5.889 1.00 0.00 H new ATOM 1385 N ASP A 85 -10.579 2.156 -9.144 1.00 0.00 N ATOM 1386 CA ASP A 85 -10.979 1.153 -10.116 1.00 0.00 C ATOM 1387 C ASP A 85 -10.226 -0.131 -9.784 1.00 0.00 C ATOM 1388 O ASP A 85 -9.282 -0.504 -10.480 1.00 0.00 O ATOM 1389 CB ASP A 85 -10.665 1.675 -11.526 1.00 0.00 C ATOM 1390 CG ASP A 85 -11.003 0.666 -12.621 1.00 0.00 C ATOM 1391 OD1 ASP A 85 -12.131 0.182 -12.671 1.00 0.00 O ATOM 1392 OD2 ASP A 85 -9.995 0.373 -13.493 1.00 0.00 O ATOM 0 H ASP A 85 -9.788 2.721 -9.453 1.00 0.00 H new ATOM 0 HA ASP A 85 -12.049 0.946 -10.082 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.224 2.594 -11.701 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.607 1.929 -11.587 1.00 0.00 H new ATOM 1398 N TYR A 86 -10.624 -0.788 -8.688 1.00 0.00 N ATOM 1399 CA TYR A 86 -9.944 -1.988 -8.230 1.00 0.00 C ATOM 1400 C TYR A 86 -10.318 -3.182 -9.107 1.00 0.00 C ATOM 1401 O TYR A 86 -11.327 -3.148 -9.811 1.00 0.00 O ATOM 1402 CB TYR A 86 -10.214 -2.258 -6.740 1.00 0.00 C ATOM 1403 CG TYR A 86 -11.523 -2.949 -6.407 1.00 0.00 C ATOM 1404 CD1 TYR A 86 -12.672 -2.187 -6.126 1.00 0.00 C ATOM 1405 CD2 TYR A 86 -11.567 -4.352 -6.281 1.00 0.00 C ATOM 1406 CE1 TYR A 86 -13.854 -2.822 -5.708 1.00 0.00 C ATOM 1407 CE2 TYR A 86 -12.752 -4.986 -5.872 1.00 0.00 C ATOM 1408 CZ TYR A 86 -13.894 -4.221 -5.576 1.00 0.00 C ATOM 1409 OH TYR A 86 -15.039 -4.833 -5.160 1.00 0.00 O ATOM 0 H TYR A 86 -11.413 -0.503 -8.108 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.870 -1.829 -8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -9.398 -2.866 -6.349 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.185 -1.306 -6.209 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.646 -1.113 -6.232 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -10.688 -4.941 -6.499 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.733 -2.234 -5.488 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.786 -6.062 -5.785 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.897 -5.802 -5.124 1.00 0.00 H new ATOM 1419 N SER A 87 -9.505 -4.241 -9.045 1.00 0.00 N ATOM 1420 CA SER A 87 -9.763 -5.493 -9.732 1.00 0.00 C ATOM 1421 C SER A 87 -9.433 -6.667 -8.819 1.00 0.00 C ATOM 1422 O SER A 87 -8.329 -6.785 -8.294 1.00 0.00 O ATOM 1423 CB SER A 87 -8.968 -5.566 -11.038 1.00 0.00 C ATOM 1424 OG SER A 87 -9.259 -6.766 -11.727 1.00 0.00 O ATOM 0 H SER A 87 -8.639 -4.244 -8.506 1.00 0.00 H new ATOM 0 HA SER A 87 -10.822 -5.544 -9.986 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.211 -4.710 -11.667 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.900 -5.512 -10.825 1.00 0.00 H new ATOM 0 HG SER A 87 -8.745 -6.798 -12.561 1.00 0.00 H new ATOM 1430 N PHE A 88 -10.406 -7.565 -8.680 1.00 0.00 N ATOM 1431 CA PHE A 88 -10.224 -8.877 -8.089 1.00 0.00 C ATOM 1432 C PHE A 88 -9.437 -9.726 -9.098 1.00 0.00 C ATOM 1433 O PHE A 88 -9.764 -9.721 -10.284 1.00 0.00 O ATOM 1434 CB PHE A 88 -11.619 -9.438 -7.744 1.00 0.00 C ATOM 1435 CG PHE A 88 -11.928 -10.830 -8.265 1.00 0.00 C ATOM 1436 CD1 PHE A 88 -11.452 -11.963 -7.583 1.00 0.00 C ATOM 1437 CD2 PHE A 88 -12.628 -10.989 -9.476 1.00 0.00 C ATOM 1438 CE1 PHE A 88 -11.640 -13.247 -8.122 1.00 0.00 C ATOM 1439 CE2 PHE A 88 -12.823 -12.273 -10.014 1.00 0.00 C ATOM 1440 CZ PHE A 88 -12.321 -13.402 -9.343 1.00 0.00 C ATOM 0 H PHE A 88 -11.364 -7.390 -8.984 1.00 0.00 H new ATOM 0 HA PHE A 88 -9.653 -8.864 -7.161 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -11.727 -9.446 -6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.371 -8.751 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -10.939 -11.846 -6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -13.016 -10.123 -9.992 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.262 -14.113 -7.600 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -13.359 -12.392 -10.944 1.00 0.00 H new ATOM 0 HZ PHE A 88 -12.458 -14.387 -9.764 1.00 0.00 H new ATOM 1450 N SER A 89 -8.376 -10.405 -8.639 1.00 0.00 N ATOM 1451 CA SER A 89 -7.500 -11.223 -9.472 1.00 0.00 C ATOM 1452 C SER A 89 -7.355 -12.624 -8.864 1.00 0.00 C ATOM 1453 O SER A 89 -8.204 -13.043 -8.082 1.00 0.00 O ATOM 1454 CB SER A 89 -6.156 -10.507 -9.674 1.00 0.00 C ATOM 1455 OG SER A 89 -6.362 -9.172 -10.090 1.00 0.00 O ATOM 0 H SER A 89 -8.102 -10.397 -7.657 1.00 0.00 H new ATOM 0 HA SER A 89 -7.937 -11.357 -10.461 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.587 -10.520 -8.744 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.563 -11.038 -10.418 1.00 0.00 H new ATOM 0 HG SER A 89 -5.496 -8.730 -10.212 1.00 0.00 H new ATOM 1461 N GLU A 90 -6.302 -13.362 -9.242 1.00 0.00 N ATOM 1462 CA GLU A 90 -6.022 -14.725 -8.856 1.00 0.00 C ATOM 1463 C GLU A 90 -4.664 -14.773 -8.147 1.00 0.00 C ATOM 1464 O GLU A 90 -3.791 -13.954 -8.431 1.00 0.00 O ATOM 1465 CB GLU A 90 -6.009 -15.535 -10.162 1.00 0.00 C ATOM 1466 CG GLU A 90 -5.376 -16.901 -9.956 1.00 0.00 C ATOM 1467 CD GLU A 90 -5.611 -17.834 -11.140 1.00 0.00 C ATOM 1468 OE1 GLU A 90 -6.382 -18.782 -11.020 1.00 0.00 O ATOM 1469 OE2 GLU A 90 -4.918 -17.536 -12.275 1.00 0.00 O ATOM 0 H GLU A 90 -5.587 -12.986 -9.865 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.761 -15.132 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.029 -15.655 -10.528 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -5.458 -14.988 -10.927 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.304 -16.782 -9.798 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.783 -17.355 -9.053 1.00 0.00 H new ATOM 1477 N TYR A 91 -4.490 -15.761 -7.257 1.00 0.00 N ATOM 1478 CA TYR A 91 -3.216 -16.177 -6.677 1.00 0.00 C ATOM 1479 C TYR A 91 -2.164 -16.458 -7.762 1.00 0.00 C ATOM 1480 O TYR A 91 -2.010 -17.596 -8.203 1.00 0.00 O ATOM 1481 CB TYR A 91 -3.464 -17.425 -5.821 1.00 0.00 C ATOM 1482 CG TYR A 91 -2.213 -18.006 -5.188 1.00 0.00 C ATOM 1483 CD1 TYR A 91 -1.426 -17.217 -4.327 1.00 0.00 C ATOM 1484 CD2 TYR A 91 -1.758 -19.281 -5.575 1.00 0.00 C ATOM 1485 CE1 TYR A 91 -0.164 -17.673 -3.913 1.00 0.00 C ATOM 1486 CE2 TYR A 91 -0.498 -19.738 -5.155 1.00 0.00 C ATOM 1487 CZ TYR A 91 0.310 -18.928 -4.339 1.00 0.00 C ATOM 1488 OH TYR A 91 1.551 -19.361 -3.974 1.00 0.00 O ATOM 0 H TYR A 91 -5.273 -16.314 -6.909 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.820 -15.371 -6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -4.174 -17.175 -5.032 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.932 -18.190 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.793 -16.261 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.379 -19.909 -6.196 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.445 -17.059 -3.266 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.149 -20.714 -5.460 1.00 0.00 H new ATOM 0 HH TYR A 91 1.945 -18.726 -3.340 1.00 0.00 H new ATOM 1498 N LYS A 92 -1.449 -15.412 -8.188 1.00 0.00 N ATOM 1499 CA LYS A 92 -0.459 -15.463 -9.255 1.00 0.00 C ATOM 1500 C LYS A 92 0.955 -15.521 -8.671 1.00 0.00 C ATOM 1501 O LYS A 92 1.722 -16.420 -9.014 1.00 0.00 O ATOM 1502 CB LYS A 92 -0.664 -14.248 -10.169 1.00 0.00 C ATOM 1503 CG LYS A 92 0.371 -14.119 -11.295 1.00 0.00 C ATOM 1504 CD LYS A 92 0.319 -15.300 -12.270 1.00 0.00 C ATOM 1505 CE LYS A 92 1.271 -15.058 -13.446 1.00 0.00 C ATOM 1506 NZ LYS A 92 1.192 -16.165 -14.379 1.00 0.00 N ATOM 0 H LYS A 92 -1.550 -14.481 -7.784 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.585 -16.368 -9.849 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -1.659 -14.305 -10.611 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.637 -13.343 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 92 0.197 -13.192 -11.841 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.369 -14.052 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.594 -16.220 -11.754 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.698 -15.433 -12.638 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.012 -14.127 -13.950 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.293 -14.950 -13.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.840 -15.995 -15.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.460 -17.046 -13.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 0.219 -16.249 -14.737 1.00 0.00 H new ATOM 1519 N GLY A 93 1.303 -14.557 -7.810 1.00 0.00 N ATOM 1520 CA GLY A 93 2.617 -14.435 -7.200 1.00 0.00 C ATOM 1521 C GLY A 93 2.484 -13.961 -5.753 1.00 0.00 C ATOM 1522 O GLY A 93 1.741 -13.025 -5.468 1.00 0.00 O ATOM 0 H GLY A 93 0.656 -13.825 -7.516 1.00 0.00 H new ATOM 0 HA2 GLY A 93 3.131 -15.396 -7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 93 3.225 -13.730 -7.767 1.00 0.00 H new ATOM 1526 N GLU A 94 3.212 -14.616 -4.846 1.00 0.00 N ATOM 1527 CA GLU A 94 3.246 -14.292 -3.432 1.00 0.00 C ATOM 1528 C GLU A 94 4.292 -13.205 -3.174 1.00 0.00 C ATOM 1529 O GLU A 94 5.460 -13.506 -2.937 1.00 0.00 O ATOM 1530 CB GLU A 94 3.445 -15.558 -2.583 1.00 0.00 C ATOM 1531 CG GLU A 94 4.563 -16.500 -3.050 1.00 0.00 C ATOM 1532 CD GLU A 94 4.642 -17.727 -2.149 1.00 0.00 C ATOM 1533 OE1 GLU A 94 3.881 -18.671 -2.358 1.00 0.00 O ATOM 1534 OE2 GLU A 94 5.569 -17.681 -1.151 1.00 0.00 O ATOM 0 H GLU A 94 3.808 -15.407 -5.089 1.00 0.00 H new ATOM 0 HA GLU A 94 2.284 -13.882 -3.123 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.653 -15.256 -1.556 1.00 0.00 H new ATOM 0 HB3 GLU A 94 2.508 -16.115 -2.568 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.379 -16.809 -4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 94 5.517 -15.973 -3.041 1.00 0.00 H new ATOM 1542 N PHE A 95 3.866 -11.934 -3.199 1.00 0.00 N ATOM 1543 CA PHE A 95 4.691 -10.815 -2.776 1.00 0.00 C ATOM 1544 C PHE A 95 4.799 -10.888 -1.257 1.00 0.00 C ATOM 1545 O PHE A 95 3.971 -10.311 -0.557 1.00 0.00 O ATOM 1546 CB PHE A 95 4.048 -9.484 -3.189 1.00 0.00 C ATOM 1547 CG PHE A 95 4.035 -9.096 -4.658 1.00 0.00 C ATOM 1548 CD1 PHE A 95 4.617 -9.907 -5.653 1.00 0.00 C ATOM 1549 CD2 PHE A 95 3.530 -7.827 -5.006 1.00 0.00 C ATOM 1550 CE1 PHE A 95 4.702 -9.444 -6.979 1.00 0.00 C ATOM 1551 CE2 PHE A 95 3.616 -7.366 -6.330 1.00 0.00 C ATOM 1552 CZ PHE A 95 4.204 -8.174 -7.318 1.00 0.00 C ATOM 0 H PHE A 95 2.935 -11.662 -3.516 1.00 0.00 H new ATOM 0 HA PHE A 95 5.674 -10.868 -3.244 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.014 -9.497 -2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.557 -8.689 -2.643 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.998 -10.885 -5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.074 -7.205 -4.250 1.00 0.00 H new ATOM 0 HE1 PHE A 95 5.151 -10.066 -7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.230 -6.391 -6.589 1.00 0.00 H new ATOM 0 HZ PHE A 95 4.273 -7.820 -8.336 1.00 0.00 H new ATOM 1562 N GLU A 96 5.791 -11.632 -0.758 1.00 0.00 N ATOM 1563 CA GLU A 96 5.962 -11.897 0.655 1.00 0.00 C ATOM 1564 C GLU A 96 6.197 -10.592 1.422 1.00 0.00 C ATOM 1565 O GLU A 96 6.807 -9.665 0.892 1.00 0.00 O ATOM 1566 CB GLU A 96 7.067 -12.948 0.822 1.00 0.00 C ATOM 1567 CG GLU A 96 8.467 -12.435 0.458 1.00 0.00 C ATOM 1568 CD GLU A 96 9.146 -11.716 1.624 1.00 0.00 C ATOM 1569 OE1 GLU A 96 9.337 -12.323 2.675 1.00 0.00 O ATOM 1570 OE2 GLU A 96 9.504 -10.418 1.411 1.00 0.00 O ATOM 0 H GLU A 96 6.504 -12.069 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 96 5.057 -12.316 1.094 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.074 -13.294 1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.833 -13.811 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.087 -13.274 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.392 -11.755 -0.391 1.00 0.00 H new ATOM 1578 N ASP A 97 5.650 -10.510 2.641 1.00 0.00 N ATOM 1579 CA ASP A 97 5.508 -9.275 3.412 1.00 0.00 C ATOM 1580 C ASP A 97 4.548 -8.329 2.684 1.00 0.00 C ATOM 1581 O ASP A 97 3.896 -8.723 1.721 1.00 0.00 O ATOM 1582 CB ASP A 97 6.861 -8.603 3.718 1.00 0.00 C ATOM 1583 CG ASP A 97 7.914 -9.554 4.287 1.00 0.00 C ATOM 1584 OD1 ASP A 97 9.103 -9.327 4.074 1.00 0.00 O ATOM 1585 OD2 ASP A 97 7.454 -10.615 5.010 1.00 0.00 O ATOM 0 H ASP A 97 5.284 -11.327 3.130 1.00 0.00 H new ATOM 0 HA ASP A 97 5.087 -9.528 4.385 1.00 0.00 H new ATOM 0 HB2 ASP A 97 7.248 -8.155 2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 97 6.699 -7.791 4.427 1.00 0.00 H new ATOM 1591 N PHE A 98 4.452 -7.076 3.138 1.00 0.00 N ATOM 1592 CA PHE A 98 3.702 -6.054 2.429 1.00 0.00 C ATOM 1593 C PHE A 98 4.345 -4.696 2.720 1.00 0.00 C ATOM 1594 O PHE A 98 4.136 -4.146 3.800 1.00 0.00 O ATOM 1595 CB PHE A 98 2.226 -6.130 2.842 1.00 0.00 C ATOM 1596 CG PHE A 98 1.205 -5.458 1.937 1.00 0.00 C ATOM 1597 CD1 PHE A 98 1.563 -4.451 1.018 1.00 0.00 C ATOM 1598 CD2 PHE A 98 -0.153 -5.757 2.134 1.00 0.00 C ATOM 1599 CE1 PHE A 98 0.570 -3.754 0.312 1.00 0.00 C ATOM 1600 CE2 PHE A 98 -1.147 -5.046 1.442 1.00 0.00 C ATOM 1601 CZ PHE A 98 -0.783 -4.032 0.544 1.00 0.00 C ATOM 0 H PHE A 98 4.890 -6.751 4.000 1.00 0.00 H new ATOM 0 HA PHE A 98 3.731 -6.207 1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.956 -7.182 2.930 1.00 0.00 H new ATOM 0 HB3 PHE A 98 2.133 -5.693 3.836 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.604 -4.215 0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.435 -6.540 2.823 1.00 0.00 H new ATOM 0 HE1 PHE A 98 0.850 -3.002 -0.411 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -2.189 -5.280 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 98 -1.546 -3.465 0.031 1.00 0.00 H new ATOM 1611 N GLU A 99 5.153 -4.177 1.781 1.00 0.00 N ATOM 1612 CA GLU A 99 5.883 -2.923 1.964 1.00 0.00 C ATOM 1613 C GLU A 99 5.469 -1.881 0.927 1.00 0.00 C ATOM 1614 O GLU A 99 4.955 -2.218 -0.138 1.00 0.00 O ATOM 1615 CB GLU A 99 7.392 -3.189 1.899 1.00 0.00 C ATOM 1616 CG GLU A 99 8.196 -1.947 2.313 1.00 0.00 C ATOM 1617 CD GLU A 99 9.679 -2.267 2.473 1.00 0.00 C ATOM 1618 OE1 GLU A 99 10.189 -2.236 3.591 1.00 0.00 O ATOM 1619 OE2 GLU A 99 10.349 -2.571 1.324 1.00 0.00 O ATOM 0 H GLU A 99 5.315 -4.619 0.876 1.00 0.00 H new ATOM 0 HA GLU A 99 5.635 -2.519 2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 99 7.645 -4.023 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 99 7.668 -3.483 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 99 8.070 -1.165 1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 99 7.804 -1.555 3.252 1.00 0.00 H new ATOM 1627 N THR A 100 5.705 -0.609 1.254 1.00 0.00 N ATOM 1628 CA THR A 100 5.348 0.536 0.433 1.00 0.00 C ATOM 1629 C THR A 100 6.582 1.061 -0.303 1.00 0.00 C ATOM 1630 O THR A 100 7.671 1.094 0.271 1.00 0.00 O ATOM 1631 CB THR A 100 4.644 1.599 1.300 1.00 0.00 C ATOM 1632 OG1 THR A 100 5.539 2.591 1.762 1.00 0.00 O ATOM 1633 CG2 THR A 100 3.957 0.983 2.525 1.00 0.00 C ATOM 0 H THR A 100 6.164 -0.346 2.126 1.00 0.00 H new ATOM 0 HA THR A 100 4.636 0.243 -0.339 1.00 0.00 H new ATOM 0 HB THR A 100 3.899 2.051 0.646 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.051 3.244 2.305 1.00 0.00 H new ATOM 0 HG21 THR A 100 3.475 1.769 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.208 0.262 2.198 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.700 0.479 3.144 1.00 0.00 H new ATOM 1641 N TYR A 101 6.416 1.447 -1.574 1.00 0.00 N ATOM 1642 CA TYR A 101 7.495 1.945 -2.422 1.00 0.00 C ATOM 1643 C TYR A 101 7.373 3.467 -2.585 1.00 0.00 C ATOM 1644 O TYR A 101 8.199 4.047 -3.323 1.00 0.00 O ATOM 1645 CB TYR A 101 7.448 1.109 -3.710 1.00 0.00 C ATOM 1646 CG TYR A 101 8.099 1.616 -4.985 1.00 0.00 C ATOM 1647 CD1 TYR A 101 7.454 2.591 -5.772 1.00 0.00 C ATOM 1648 CD2 TYR A 101 9.186 0.907 -5.526 1.00 0.00 C ATOM 1649 CE1 TYR A 101 7.992 2.959 -7.019 1.00 0.00 C ATOM 1650 CE2 TYR A 101 9.708 1.252 -6.783 1.00 0.00 C ATOM 1651 CZ TYR A 101 9.125 2.296 -7.521 1.00 0.00 C ATOM 1652 OH TYR A 101 9.648 2.655 -8.728 1.00 0.00 O ATOM 1653 OXT TYR A 101 6.487 4.054 -1.925 1.00 0.00 O ATOM 0 H TYR A 101 5.512 1.420 -2.045 1.00 0.00 H new ATOM 0 HA TYR A 101 8.490 1.821 -1.996 1.00 0.00 H new ATOM 0 HB2 TYR A 101 7.898 0.143 -3.482 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.397 0.926 -3.936 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.546 3.056 -5.418 1.00 0.00 H new ATOM 0 HD2 TYR A 101 9.623 0.091 -4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.534 3.752 -7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 101 10.556 0.716 -7.182 1.00 0.00 H new ATOM 0 HH TYR A 101 10.430 2.097 -8.925 1.00 0.00 H new