USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot -73:sc= 1.21 USER MOD Set 1.2: A 51 TYR OH : rot 150:sc= 1.05 USER MOD Set 1.3: A 71 HIS : no HD1:sc= -0.39 K(o=1.9,f=-1.7) USER MOD Set 2.1: A 70 SER OG : rot 180:sc= 0.0124 USER MOD Set 2.2: A 72 SER OG : rot 37:sc= 0.465 USER MOD Set 3.1: A 33 SER OG : rot 8:sc= -0.139! USER MOD Set 3.2: A 76 ASN : amide:sc= -0.173 X(o=-0.31,f=-0.39) USER MOD Single : A 23 ASN : amide:sc= -0.554 K(o=-0.55,f=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -0.0561 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 37 THR OG1 : rot 22:sc= 0.206! USER MOD Single : A 49 GLN : amide:sc= -0.805 K(o=-0.8,f=-1.4) USER MOD Single : A 50 ASN : amide:sc= -2.45 K(o=-2.5,f=-5.5!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.353 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -137:sc= -3.53! (180deg=-5.01!) USER MOD Single : A 60 THR OG1 : rot 90:sc= 0.356 USER MOD Single : A 62 LYS NZ :NH3+ -158:sc= -0.116 (180deg=-0.559) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 64:sc= 0.0958 USER MOD Single : A 84 TYR OH : rot 70:sc= 0.904 USER MOD Single : A 85 SER OG : rot -154:sc= -0.97 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 ASN : amide:sc= -4.32! C(o=-4.3!,f=-8.5!) USER MOD Single : A 93 LYS NZ :NH3+ 158:sc= -0.0429 (180deg=-0.323) USER MOD Single : A 94 HIS : no HD1:sc= -0.287 X(o=-0.29,f=-0.12) USER MOD Single : A 99 SER OG : rot 140:sc= -0.0422 USER MOD Single : A 100 THR OG1 : rot -96:sc= 1.26 USER MOD Single : A 107 THR OG1 : rot 177:sc= 0.833 USER MOD Single : A 109 SER OG : rot 24:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 14.905 1.439 -11.445 1.00 0.00 N ATOM 215 CA LEU A 17 13.522 1.520 -10.989 1.00 0.00 C ATOM 216 C LEU A 17 13.347 2.651 -9.980 1.00 0.00 C ATOM 217 O LEU A 17 14.308 3.135 -9.380 1.00 0.00 O ATOM 218 CB LEU A 17 13.092 0.192 -10.363 1.00 0.00 C ATOM 219 CG LEU A 17 12.500 -0.841 -11.322 1.00 0.00 C ATOM 220 CD1 LEU A 17 11.181 -0.345 -11.894 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.484 -1.156 -12.440 1.00 0.00 C ATOM 0 HA LEU A 17 12.892 1.728 -11.854 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.958 -0.252 -9.871 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.356 0.401 -9.586 1.00 0.00 H new ATOM 0 HG LEU A 17 12.308 -1.758 -10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 17 10.775 -1.094 -12.574 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.475 -0.171 -11.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.347 0.586 -12.436 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.046 -1.893 -13.113 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.708 -0.245 -12.995 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.404 -1.556 -12.013 1.00 0.00 H new ATOM 233 N PRO A 18 12.092 3.082 -9.785 1.00 0.00 N ATOM 234 CA PRO A 18 11.761 4.158 -8.846 1.00 0.00 C ATOM 235 C PRO A 18 11.947 3.737 -7.392 1.00 0.00 C ATOM 236 O PRO A 18 12.142 2.559 -7.097 1.00 0.00 O ATOM 237 CB PRO A 18 10.285 4.441 -9.137 1.00 0.00 C ATOM 238 CG PRO A 18 9.760 3.167 -9.701 1.00 0.00 C ATOM 239 CD PRO A 18 10.899 2.551 -10.465 1.00 0.00 C ATOM 0 HA PRO A 18 12.409 5.025 -8.975 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.750 4.723 -8.230 1.00 0.00 H new ATOM 0 HB3 PRO A 18 10.171 5.263 -9.843 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.417 2.502 -8.909 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.907 3.352 -10.354 1.00 0.00 H new ATOM 0 HD2 PRO A 18 10.866 1.462 -10.427 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.877 2.834 -11.517 1.00 0.00 H new ATOM 247 N GLY A 19 11.884 4.709 -6.487 1.00 0.00 N ATOM 248 CA GLY A 19 12.047 4.419 -5.075 1.00 0.00 C ATOM 249 C GLY A 19 10.721 4.288 -4.353 1.00 0.00 C ATOM 250 O GLY A 19 9.655 4.523 -4.922 1.00 0.00 O ATOM 0 H GLY A 19 11.723 5.692 -6.707 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.613 3.494 -4.960 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.634 5.211 -4.610 1.00 0.00 H new ATOM 254 N PRO A 20 10.777 3.903 -3.069 1.00 0.00 N ATOM 255 CA PRO A 20 9.579 3.732 -2.241 1.00 0.00 C ATOM 256 C PRO A 20 8.905 5.061 -1.916 1.00 0.00 C ATOM 257 O PRO A 20 9.519 5.953 -1.333 1.00 0.00 O ATOM 258 CB PRO A 20 10.119 3.080 -0.966 1.00 0.00 C ATOM 259 CG PRO A 20 11.547 3.502 -0.901 1.00 0.00 C ATOM 260 CD PRO A 20 12.013 3.606 -2.327 1.00 0.00 C ATOM 0 HA PRO A 20 8.815 3.142 -2.747 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.567 3.413 -0.087 1.00 0.00 H new ATOM 0 HB3 PRO A 20 10.028 1.995 -1.007 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.649 4.458 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.143 2.777 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.755 4.395 -2.451 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.473 2.679 -2.668 1.00 0.00 H new ATOM 268 N ALA A 21 7.637 5.184 -2.296 1.00 0.00 N ATOM 269 CA ALA A 21 6.879 6.403 -2.042 1.00 0.00 C ATOM 270 C ALA A 21 7.049 6.865 -0.598 1.00 0.00 C ATOM 271 O ALA A 21 6.595 6.216 0.344 1.00 0.00 O ATOM 272 CB ALA A 21 5.407 6.184 -2.357 1.00 0.00 C ATOM 0 H ALA A 21 7.114 4.455 -2.780 1.00 0.00 H new ATOM 0 HA ALA A 21 7.267 7.185 -2.695 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.853 7.102 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.296 5.908 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.015 5.384 -1.728 1.00 0.00 H new ATOM 278 N PRO A 22 7.720 8.012 -0.419 1.00 0.00 N ATOM 279 CA PRO A 22 7.966 8.586 0.907 1.00 0.00 C ATOM 280 C PRO A 22 6.691 9.116 1.555 1.00 0.00 C ATOM 281 O PRO A 22 5.601 8.983 1.001 1.00 0.00 O ATOM 282 CB PRO A 22 8.937 9.735 0.622 1.00 0.00 C ATOM 283 CG PRO A 22 8.673 10.112 -0.794 1.00 0.00 C ATOM 284 CD PRO A 22 8.289 8.839 -1.497 1.00 0.00 C ATOM 0 HA PRO A 22 8.354 7.845 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.764 10.575 1.294 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.972 9.423 0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 22 7.873 10.850 -0.859 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.557 10.558 -1.250 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.563 9.021 -2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.152 8.359 -1.959 1.00 0.00 H new ATOM 292 N ASN A 23 6.836 9.715 2.733 1.00 0.00 N ATOM 293 CA ASN A 23 5.695 10.265 3.456 1.00 0.00 C ATOM 294 C ASN A 23 4.467 9.374 3.293 1.00 0.00 C ATOM 295 O ASN A 23 3.363 9.859 3.043 1.00 0.00 O ATOM 296 CB ASN A 23 5.383 11.678 2.961 1.00 0.00 C ATOM 297 CG ASN A 23 6.132 12.742 3.739 1.00 0.00 C ATOM 298 OD1 ASN A 23 5.575 13.787 4.077 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.401 12.481 4.028 1.00 0.00 N ATOM 0 H ASN A 23 7.732 9.832 3.207 1.00 0.00 H new ATOM 0 HA ASN A 23 5.954 10.307 4.514 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.641 11.755 1.905 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.311 11.860 3.042 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.955 13.160 4.550 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.822 11.602 3.728 1.00 0.00 H new ATOM 306 N LEU A 24 4.667 8.069 3.437 1.00 0.00 N ATOM 307 CA LEU A 24 3.576 7.109 3.307 1.00 0.00 C ATOM 308 C LEU A 24 2.726 7.075 4.573 1.00 0.00 C ATOM 309 O LEU A 24 3.089 6.435 5.559 1.00 0.00 O ATOM 310 CB LEU A 24 4.131 5.713 3.014 1.00 0.00 C ATOM 311 CG LEU A 24 3.096 4.599 2.858 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.296 4.789 1.578 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.774 3.236 2.867 1.00 0.00 C ATOM 0 H LEU A 24 5.574 7.651 3.644 1.00 0.00 H new ATOM 0 HA LEU A 24 2.945 7.424 2.476 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.722 5.763 2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.812 5.438 3.819 1.00 0.00 H new ATOM 0 HG LEU A 24 2.409 4.647 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.564 3.987 1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.780 5.749 1.610 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.970 4.768 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.022 2.455 2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.484 3.177 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.302 3.099 3.811 1.00 0.00 H new ATOM 325 N ARG A 25 1.592 7.768 4.536 1.00 0.00 N ATOM 326 CA ARG A 25 0.690 7.816 5.680 1.00 0.00 C ATOM 327 C ARG A 25 -0.557 6.974 5.425 1.00 0.00 C ATOM 328 O ARG A 25 -0.888 6.668 4.280 1.00 0.00 O ATOM 329 CB ARG A 25 0.289 9.262 5.979 1.00 0.00 C ATOM 330 CG ARG A 25 1.355 10.279 5.606 1.00 0.00 C ATOM 331 CD ARG A 25 2.479 10.309 6.629 1.00 0.00 C ATOM 332 NE ARG A 25 2.044 10.871 7.905 1.00 0.00 N ATOM 333 CZ ARG A 25 2.881 11.285 8.849 1.00 0.00 C ATOM 334 NH1 ARG A 25 4.191 11.202 8.662 1.00 0.00 N ATOM 335 NH2 ARG A 25 2.408 11.784 9.984 1.00 0.00 N ATOM 0 H ARG A 25 1.277 8.303 3.727 1.00 0.00 H new ATOM 0 HA ARG A 25 1.215 7.405 6.542 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.628 9.495 5.438 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.065 9.356 7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.762 10.038 4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.904 11.269 5.530 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.852 9.297 6.787 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.309 10.897 6.238 1.00 0.00 H new ATOM 0 HE ARG A 25 1.042 10.950 8.081 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.559 10.819 7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.831 11.521 9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.401 11.850 10.132 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.052 12.102 10.709 1.00 0.00 H new ATOM 349 N ALA A 26 -1.243 6.602 6.501 1.00 0.00 N ATOM 350 CA ALA A 26 -2.454 5.797 6.394 1.00 0.00 C ATOM 351 C ALA A 26 -3.323 5.945 7.637 1.00 0.00 C ATOM 352 O ALA A 26 -2.855 5.755 8.760 1.00 0.00 O ATOM 353 CB ALA A 26 -2.097 4.335 6.167 1.00 0.00 C ATOM 0 H ALA A 26 -0.981 6.845 7.456 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.026 6.157 5.539 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.010 3.745 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.523 4.239 5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.501 3.972 7.004 1.00 0.00 H new ATOM 359 N TYR A 27 -4.591 6.285 7.430 1.00 0.00 N ATOM 360 CA TYR A 27 -5.525 6.461 8.536 1.00 0.00 C ATOM 361 C TYR A 27 -6.924 5.994 8.146 1.00 0.00 C ATOM 362 O TYR A 27 -7.312 6.063 6.980 1.00 0.00 O ATOM 363 CB TYR A 27 -5.567 7.928 8.967 1.00 0.00 C ATOM 364 CG TYR A 27 -5.783 8.890 7.821 1.00 0.00 C ATOM 365 CD1 TYR A 27 -4.713 9.351 7.063 1.00 0.00 C ATOM 366 CD2 TYR A 27 -7.057 9.337 7.495 1.00 0.00 C ATOM 367 CE1 TYR A 27 -4.907 10.230 6.015 1.00 0.00 C ATOM 368 CE2 TYR A 27 -7.260 10.216 6.448 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.182 10.660 5.712 1.00 0.00 C ATOM 370 OH TYR A 27 -6.378 11.535 4.668 1.00 0.00 O ATOM 0 H TYR A 27 -4.995 6.444 6.507 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.178 5.853 9.372 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.365 8.061 9.697 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.632 8.178 9.468 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -3.713 9.016 7.297 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -7.904 8.992 8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.065 10.579 5.436 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -8.257 10.553 6.208 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.689 11.391 3.987 1.00 0.00 H new ATOM 380 N ALA A 28 -7.678 5.519 9.132 1.00 0.00 N ATOM 381 CA ALA A 28 -9.035 5.042 8.895 1.00 0.00 C ATOM 382 C ALA A 28 -10.038 6.189 8.959 1.00 0.00 C ATOM 383 O ALA A 28 -10.364 6.681 10.039 1.00 0.00 O ATOM 384 CB ALA A 28 -9.399 3.963 9.903 1.00 0.00 C ATOM 0 H ALA A 28 -7.372 5.454 10.103 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.074 4.615 7.893 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.415 3.616 9.714 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.706 3.127 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.337 4.372 10.912 1.00 0.00 H new ATOM 390 N ALA A 29 -10.524 6.610 7.796 1.00 0.00 N ATOM 391 CA ALA A 29 -11.491 7.698 7.721 1.00 0.00 C ATOM 392 C ALA A 29 -12.840 7.273 8.291 1.00 0.00 C ATOM 393 O ALA A 29 -13.551 8.078 8.892 1.00 0.00 O ATOM 394 CB ALA A 29 -11.648 8.166 6.281 1.00 0.00 C ATOM 0 H ALA A 29 -10.264 6.214 6.893 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.117 8.527 8.322 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.373 8.979 6.240 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -10.687 8.518 5.906 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -11.997 7.337 5.665 1.00 0.00 H new ATOM 400 N SER A 30 -13.186 6.005 8.098 1.00 0.00 N ATOM 401 CA SER A 30 -14.453 5.475 8.590 1.00 0.00 C ATOM 402 C SER A 30 -14.283 4.047 9.100 1.00 0.00 C ATOM 403 O SER A 30 -13.300 3.367 8.803 1.00 0.00 O ATOM 404 CB SER A 30 -15.509 5.510 7.484 1.00 0.00 C ATOM 405 OG SER A 30 -16.262 6.710 7.536 1.00 0.00 O ATOM 0 H SER A 30 -12.607 5.325 7.605 1.00 0.00 H new ATOM 0 HA SER A 30 -14.783 6.102 9.418 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.025 5.423 6.511 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.176 4.654 7.586 1.00 0.00 H new ATOM 0 HG SER A 30 -16.929 6.709 6.818 1.00 0.00 H new ATOM 411 N PRO A 31 -15.263 3.580 9.888 1.00 0.00 N ATOM 412 CA PRO A 31 -15.246 2.229 10.456 1.00 0.00 C ATOM 413 C PRO A 31 -15.451 1.152 9.397 1.00 0.00 C ATOM 414 O PRO A 31 -15.382 -0.043 9.689 1.00 0.00 O ATOM 415 CB PRO A 31 -16.420 2.243 11.439 1.00 0.00 C ATOM 416 CG PRO A 31 -17.341 3.289 10.913 1.00 0.00 C ATOM 417 CD PRO A 31 -16.464 4.335 10.283 1.00 0.00 C ATOM 0 HA PRO A 31 -14.287 1.993 10.918 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.910 1.270 11.484 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -16.088 2.480 12.450 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.033 2.868 10.183 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.944 3.716 11.714 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.947 4.800 9.424 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.224 5.134 10.985 1.00 0.00 H new ATOM 425 N THR A 32 -15.701 1.581 8.164 1.00 0.00 N ATOM 426 CA THR A 32 -15.916 0.653 7.061 1.00 0.00 C ATOM 427 C THR A 32 -15.042 1.010 5.864 1.00 0.00 C ATOM 428 O THR A 32 -15.054 0.317 4.847 1.00 0.00 O ATOM 429 CB THR A 32 -17.392 0.638 6.618 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.817 1.965 6.287 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.280 0.075 7.717 1.00 0.00 C ATOM 0 H THR A 32 -15.760 2.566 7.904 1.00 0.00 H new ATOM 0 HA THR A 32 -15.643 -0.338 7.424 1.00 0.00 H new ATOM 0 HB THR A 32 -17.479 -0.001 5.739 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.755 1.947 6.005 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.317 0.074 7.382 1.00 0.00 H new ATOM 0 HG22 THR A 32 -17.972 -0.945 7.947 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.188 0.692 8.611 1.00 0.00 H new ATOM 439 N SER A 33 -14.285 2.094 5.992 1.00 0.00 N ATOM 440 CA SER A 33 -13.407 2.545 4.919 1.00 0.00 C ATOM 441 C SER A 33 -12.029 2.911 5.462 1.00 0.00 C ATOM 442 O SER A 33 -11.809 2.918 6.674 1.00 0.00 O ATOM 443 CB SER A 33 -14.020 3.748 4.200 1.00 0.00 C ATOM 444 OG SER A 33 -13.392 3.970 2.950 1.00 0.00 O ATOM 0 H SER A 33 -14.262 2.677 6.829 1.00 0.00 H new ATOM 0 HA SER A 33 -13.293 1.726 4.209 1.00 0.00 H new ATOM 0 HB2 SER A 33 -15.087 3.581 4.050 1.00 0.00 H new ATOM 0 HB3 SER A 33 -13.921 4.637 4.823 1.00 0.00 H new ATOM 0 HG SER A 33 -12.787 3.225 2.751 1.00 0.00 H new ATOM 450 N ILE A 34 -11.105 3.214 4.557 1.00 0.00 N ATOM 451 CA ILE A 34 -9.749 3.583 4.945 1.00 0.00 C ATOM 452 C ILE A 34 -9.122 4.527 3.924 1.00 0.00 C ATOM 453 O ILE A 34 -9.166 4.275 2.720 1.00 0.00 O ATOM 454 CB ILE A 34 -8.850 2.341 5.098 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.236 1.557 6.354 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.386 2.751 5.151 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.518 0.232 6.484 1.00 0.00 C ATOM 0 H ILE A 34 -11.270 3.211 3.550 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.823 4.090 5.907 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.995 1.696 4.231 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.021 2.165 7.233 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.311 1.379 6.345 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.763 1.863 5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.120 3.271 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.224 3.413 6.001 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.841 -0.269 7.397 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.753 -0.395 5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.442 0.404 6.525 1.00 0.00 H new ATOM 469 N THR A 35 -8.538 5.616 4.414 1.00 0.00 N ATOM 470 CA THR A 35 -7.902 6.598 3.546 1.00 0.00 C ATOM 471 C THR A 35 -6.383 6.499 3.624 1.00 0.00 C ATOM 472 O THR A 35 -5.794 6.661 4.693 1.00 0.00 O ATOM 473 CB THR A 35 -8.331 8.032 3.910 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.739 8.190 3.703 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.573 9.053 3.075 1.00 0.00 C ATOM 0 H THR A 35 -8.493 5.840 5.408 1.00 0.00 H new ATOM 0 HA THR A 35 -8.226 6.377 2.529 1.00 0.00 H new ATOM 0 HB THR A 35 -8.097 8.201 4.961 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.004 9.104 3.938 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.893 10.058 3.350 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.503 8.950 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.779 8.883 2.018 1.00 0.00 H new ATOM 483 N VAL A 36 -5.752 6.234 2.485 1.00 0.00 N ATOM 484 CA VAL A 36 -4.300 6.115 2.424 1.00 0.00 C ATOM 485 C VAL A 36 -3.696 7.206 1.547 1.00 0.00 C ATOM 486 O VAL A 36 -4.137 7.427 0.419 1.00 0.00 O ATOM 487 CB VAL A 36 -3.871 4.739 1.881 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.355 4.623 1.857 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.487 3.623 2.713 1.00 0.00 C ATOM 0 H VAL A 36 -6.224 6.097 1.591 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.931 6.226 3.443 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.234 4.642 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.071 3.644 1.470 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.941 5.401 1.215 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.965 4.741 2.868 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.174 2.658 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.155 3.715 3.747 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.574 3.696 2.673 1.00 0.00 H new ATOM 499 N THR A 37 -2.681 7.886 2.072 1.00 0.00 N ATOM 500 CA THR A 37 -2.015 8.954 1.338 1.00 0.00 C ATOM 501 C THR A 37 -0.505 8.749 1.317 1.00 0.00 C ATOM 502 O THR A 37 0.113 8.516 2.356 1.00 0.00 O ATOM 503 CB THR A 37 -2.326 10.334 1.949 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.681 10.463 3.221 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.826 10.527 2.113 1.00 0.00 C ATOM 0 H THR A 37 -2.302 7.715 3.004 1.00 0.00 H new ATOM 0 HA THR A 37 -2.397 8.922 0.318 1.00 0.00 H new ATOM 0 HB THR A 37 -1.949 11.100 1.272 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.928 9.837 3.271 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.021 11.508 2.546 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.310 10.457 1.139 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.222 9.754 2.772 1.00 0.00 H new ATOM 513 N TRP A 38 0.083 8.837 0.129 1.00 0.00 N ATOM 514 CA TRP A 38 1.522 8.662 -0.026 1.00 0.00 C ATOM 515 C TRP A 38 2.116 9.771 -0.886 1.00 0.00 C ATOM 516 O TRP A 38 1.389 10.516 -1.543 1.00 0.00 O ATOM 517 CB TRP A 38 1.826 7.298 -0.649 1.00 0.00 C ATOM 518 CG TRP A 38 1.155 7.087 -1.972 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.626 7.457 -3.199 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.111 6.458 -2.199 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.730 7.096 -4.176 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.344 6.480 -3.589 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.070 5.876 -1.366 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.495 5.945 -4.159 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.212 5.345 -1.933 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.417 5.381 -3.319 1.00 0.00 C ATOM 0 H TRP A 38 -0.415 9.028 -0.740 1.00 0.00 H new ATOM 0 HA TRP A 38 1.978 8.712 0.963 1.00 0.00 H new ATOM 0 HB2 TRP A 38 2.904 7.197 -0.776 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.511 6.514 0.039 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.565 7.960 -3.376 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.846 7.260 -5.176 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.921 5.842 -0.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.655 5.974 -5.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -2.960 4.894 -1.297 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.320 4.956 -3.732 1.00 0.00 H new ATOM 537 N GLU A 39 3.442 9.876 -0.877 1.00 0.00 N ATOM 538 CA GLU A 39 4.132 10.896 -1.657 1.00 0.00 C ATOM 539 C GLU A 39 4.997 10.260 -2.742 1.00 0.00 C ATOM 540 O GLU A 39 5.269 9.060 -2.711 1.00 0.00 O ATOM 541 CB GLU A 39 4.998 11.768 -0.745 1.00 0.00 C ATOM 542 CG GLU A 39 4.224 12.874 -0.047 1.00 0.00 C ATOM 543 CD GLU A 39 4.013 14.087 -0.933 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.399 13.935 -2.009 1.00 0.00 O ATOM 545 OE2 GLU A 39 4.463 15.187 -0.550 1.00 0.00 O ATOM 0 H GLU A 39 4.059 9.267 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 39 3.379 11.521 -2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.470 11.136 0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.799 12.213 -1.335 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.256 12.489 0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.760 13.175 0.853 1.00 0.00 H new ATOM 552 N THR A 40 5.426 11.074 -3.701 1.00 0.00 N ATOM 553 CA THR A 40 6.258 10.592 -4.797 1.00 0.00 C ATOM 554 C THR A 40 7.733 10.601 -4.412 1.00 0.00 C ATOM 555 O THR A 40 8.238 11.553 -3.817 1.00 0.00 O ATOM 556 CB THR A 40 6.065 11.443 -6.066 1.00 0.00 C ATOM 557 OG1 THR A 40 4.693 11.410 -6.473 1.00 0.00 O ATOM 558 CG2 THR A 40 6.948 10.937 -7.196 1.00 0.00 C ATOM 0 H THR A 40 5.211 12.070 -3.741 1.00 0.00 H new ATOM 0 HA THR A 40 5.945 9.569 -5.005 1.00 0.00 H new ATOM 0 HB THR A 40 6.350 12.470 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.486 10.531 -6.854 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.794 11.553 -8.082 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.994 10.991 -6.893 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.690 9.903 -7.424 1.00 0.00 H new ATOM 566 N PRO A 41 8.443 9.517 -4.759 1.00 0.00 N ATOM 567 CA PRO A 41 9.871 9.377 -4.460 1.00 0.00 C ATOM 568 C PRO A 41 10.732 10.326 -5.287 1.00 0.00 C ATOM 569 O PRO A 41 10.923 10.121 -6.486 1.00 0.00 O ATOM 570 CB PRO A 41 10.170 7.923 -4.831 1.00 0.00 C ATOM 571 CG PRO A 41 9.139 7.571 -5.847 1.00 0.00 C ATOM 572 CD PRO A 41 7.906 8.345 -5.469 1.00 0.00 C ATOM 0 HA PRO A 41 10.096 9.621 -3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.177 7.817 -5.235 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.106 7.271 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.473 7.835 -6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.942 6.499 -5.848 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.330 8.636 -6.347 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.243 7.759 -4.833 1.00 0.00 H new ATOM 580 N VAL A 42 11.249 11.365 -4.640 1.00 0.00 N ATOM 581 CA VAL A 42 12.091 12.345 -5.315 1.00 0.00 C ATOM 582 C VAL A 42 13.038 11.670 -6.300 1.00 0.00 C ATOM 583 O VAL A 42 13.351 12.222 -7.355 1.00 0.00 O ATOM 584 CB VAL A 42 12.917 13.166 -4.307 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.001 13.973 -3.399 1.00 0.00 C ATOM 586 CG2 VAL A 42 13.821 12.254 -3.492 1.00 0.00 C ATOM 0 H VAL A 42 11.099 11.550 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 42 11.424 13.015 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 42 13.546 13.863 -4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.602 14.547 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.400 14.654 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.344 13.297 -2.851 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.397 12.851 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.213 11.532 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.501 11.725 -4.159 1.00 0.00 H new ATOM 650 N ILE A 48 6.737 8.173 -13.005 1.00 0.00 N ATOM 651 CA ILE A 48 5.750 7.196 -12.562 1.00 0.00 C ATOM 652 C ILE A 48 4.547 7.166 -13.498 1.00 0.00 C ATOM 653 O ILE A 48 3.844 8.164 -13.653 1.00 0.00 O ATOM 654 CB ILE A 48 5.266 7.494 -11.131 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.445 7.477 -10.156 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.208 6.486 -10.709 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.174 6.152 -10.112 1.00 0.00 C ATOM 0 HA ILE A 48 6.241 6.223 -12.575 1.00 0.00 H new ATOM 0 HB ILE A 48 4.820 8.488 -11.114 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.149 8.261 -10.436 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.083 7.717 -9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.876 6.710 -9.695 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.359 6.543 -11.390 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.630 5.481 -10.739 1.00 0.00 H new ATOM 0 HD11 ILE A 48 7.997 6.213 -9.400 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.484 5.367 -9.802 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.567 5.920 -11.102 1.00 0.00 H new ATOM 669 N GLN A 49 4.316 6.014 -14.120 1.00 0.00 N ATOM 670 CA GLN A 49 3.196 5.854 -15.040 1.00 0.00 C ATOM 671 C GLN A 49 1.883 5.700 -14.279 1.00 0.00 C ATOM 672 O GLN A 49 0.887 6.344 -14.604 1.00 0.00 O ATOM 673 CB GLN A 49 3.420 4.641 -15.944 1.00 0.00 C ATOM 674 CG GLN A 49 4.568 4.817 -16.925 1.00 0.00 C ATOM 675 CD GLN A 49 4.295 5.896 -17.955 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.162 6.353 -18.107 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.335 6.310 -18.669 1.00 0.00 N ATOM 0 H GLN A 49 4.889 5.178 -14.004 1.00 0.00 H new ATOM 0 HA GLN A 49 3.135 6.751 -15.656 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.615 3.767 -15.323 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.505 4.439 -16.501 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.476 5.066 -16.375 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.753 3.872 -17.435 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.257 5.904 -18.510 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.212 7.034 -19.376 1.00 0.00 H new ATOM 686 N ASN A 50 1.891 4.842 -13.264 1.00 0.00 N ATOM 687 CA ASN A 50 0.700 4.602 -12.457 1.00 0.00 C ATOM 688 C ASN A 50 1.078 4.133 -11.055 1.00 0.00 C ATOM 689 O ASN A 50 2.136 3.537 -10.853 1.00 0.00 O ATOM 690 CB ASN A 50 -0.198 3.562 -13.130 1.00 0.00 C ATOM 691 CG ASN A 50 0.132 2.147 -12.697 1.00 0.00 C ATOM 692 OD1 ASN A 50 1.293 1.812 -12.462 1.00 0.00 O ATOM 693 ND2 ASN A 50 -0.892 1.308 -12.588 1.00 0.00 N ATOM 0 H ASN A 50 2.708 4.302 -12.981 1.00 0.00 H new ATOM 0 HA ASN A 50 0.155 5.542 -12.372 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.240 3.778 -12.893 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.094 3.642 -14.212 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.732 0.343 -12.299 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.838 1.629 -12.793 1.00 0.00 H new ATOM 700 N TYR A 51 0.206 4.405 -10.091 1.00 0.00 N ATOM 701 CA TYR A 51 0.448 4.013 -8.708 1.00 0.00 C ATOM 702 C TYR A 51 -0.413 2.814 -8.323 1.00 0.00 C ATOM 703 O TYR A 51 -1.627 2.813 -8.532 1.00 0.00 O ATOM 704 CB TYR A 51 0.163 5.184 -7.766 1.00 0.00 C ATOM 705 CG TYR A 51 1.197 6.285 -7.838 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.491 6.080 -7.376 1.00 0.00 C ATOM 707 CD2 TYR A 51 0.879 7.529 -8.367 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.439 7.083 -7.439 1.00 0.00 C ATOM 709 CE2 TYR A 51 1.821 8.538 -8.436 1.00 0.00 C ATOM 710 CZ TYR A 51 3.099 8.310 -7.970 1.00 0.00 C ATOM 711 OH TYR A 51 4.039 9.312 -8.035 1.00 0.00 O ATOM 0 H TYR A 51 -0.675 4.896 -10.242 1.00 0.00 H new ATOM 0 HA TYR A 51 1.496 3.729 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.816 5.600 -8.004 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.111 4.812 -6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.760 5.120 -6.961 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.121 7.711 -8.731 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.440 6.908 -7.075 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.558 9.499 -8.852 1.00 0.00 H new ATOM 0 HH TYR A 51 3.848 9.890 -8.803 1.00 0.00 H new ATOM 721 N LYS A 52 0.223 1.794 -7.758 1.00 0.00 N ATOM 722 CA LYS A 52 -0.482 0.588 -7.340 1.00 0.00 C ATOM 723 C LYS A 52 -0.616 0.534 -5.822 1.00 0.00 C ATOM 724 O LYS A 52 0.371 0.668 -5.096 1.00 0.00 O ATOM 725 CB LYS A 52 0.253 -0.657 -7.843 1.00 0.00 C ATOM 726 CG LYS A 52 -0.667 -1.832 -8.128 1.00 0.00 C ATOM 727 CD LYS A 52 -0.021 -2.827 -9.078 1.00 0.00 C ATOM 728 CE LYS A 52 -1.066 -3.628 -9.840 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.477 -2.948 -11.099 1.00 0.00 N ATOM 0 H LYS A 52 1.227 1.778 -7.579 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.482 0.613 -7.774 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.798 -0.404 -8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.993 -0.957 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.921 -2.332 -7.193 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.600 -1.469 -8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.618 -2.296 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.620 -3.505 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.667 -4.615 -10.074 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.940 -3.779 -9.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.190 -3.526 -11.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.881 -2.016 -10.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.648 -2.826 -11.715 1.00 0.00 H new ATOM 743 N LEU A 53 -1.841 0.336 -5.347 1.00 0.00 N ATOM 744 CA LEU A 53 -2.103 0.263 -3.914 1.00 0.00 C ATOM 745 C LEU A 53 -2.700 -1.090 -3.538 1.00 0.00 C ATOM 746 O LEU A 53 -3.787 -1.448 -3.992 1.00 0.00 O ATOM 747 CB LEU A 53 -3.051 1.386 -3.491 1.00 0.00 C ATOM 748 CG LEU A 53 -3.718 1.223 -2.125 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.680 1.285 -1.014 1.00 0.00 C ATOM 750 CD2 LEU A 53 -4.784 2.290 -1.921 1.00 0.00 C ATOM 0 H LEU A 53 -2.668 0.223 -5.933 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.154 0.380 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.495 2.323 -3.492 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.832 1.478 -4.246 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.200 0.246 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.173 1.167 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.953 0.485 -1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.170 2.248 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.248 2.158 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.326 3.277 -1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.543 2.199 -2.698 1.00 0.00 H new ATOM 762 N TYR A 54 -1.983 -1.836 -2.705 1.00 0.00 N ATOM 763 CA TYR A 54 -2.441 -3.149 -2.268 1.00 0.00 C ATOM 764 C TYR A 54 -3.135 -3.061 -0.913 1.00 0.00 C ATOM 765 O TYR A 54 -2.885 -2.141 -0.133 1.00 0.00 O ATOM 766 CB TYR A 54 -1.264 -4.123 -2.188 1.00 0.00 C ATOM 767 CG TYR A 54 -0.687 -4.488 -3.537 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.060 -3.533 -4.328 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.768 -5.788 -4.021 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.467 -3.862 -5.562 1.00 0.00 C ATOM 771 CE2 TYR A 54 -0.242 -6.126 -5.252 1.00 0.00 C ATOM 772 CZ TYR A 54 0.374 -5.160 -6.020 1.00 0.00 C ATOM 773 OH TYR A 54 0.899 -5.492 -7.247 1.00 0.00 O ATOM 0 H TYR A 54 -1.082 -1.554 -2.319 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.159 -3.517 -3.001 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.479 -3.681 -1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.590 -5.033 -1.683 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.017 -2.516 -3.972 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.251 -6.547 -3.424 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.949 -3.107 -6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.313 -7.142 -5.612 1.00 0.00 H new ATOM 0 HH TYR A 54 0.751 -6.445 -7.419 1.00 0.00 H new ATOM 783 N TYR A 55 -4.008 -4.024 -0.638 1.00 0.00 N ATOM 784 CA TYR A 55 -4.740 -4.055 0.622 1.00 0.00 C ATOM 785 C TYR A 55 -5.189 -5.475 0.956 1.00 0.00 C ATOM 786 O TYR A 55 -5.649 -6.213 0.085 1.00 0.00 O ATOM 787 CB TYR A 55 -5.954 -3.127 0.554 1.00 0.00 C ATOM 788 CG TYR A 55 -7.043 -3.622 -0.372 1.00 0.00 C ATOM 789 CD1 TYR A 55 -6.915 -3.505 -1.751 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.199 -4.204 0.131 1.00 0.00 C ATOM 791 CE1 TYR A 55 -7.907 -3.954 -2.601 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.196 -4.658 -0.711 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.045 -4.531 -2.076 1.00 0.00 C ATOM 794 OH TYR A 55 -10.036 -4.980 -2.918 1.00 0.00 O ATOM 0 H TYR A 55 -4.226 -4.793 -1.271 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.071 -3.710 1.410 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.367 -3.008 1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.629 -2.140 0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.025 -3.055 -2.165 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.321 -4.304 1.199 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.792 -3.854 -3.670 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.088 -5.110 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.768 -5.360 -2.388 1.00 0.00 H new ATOM 804 N MET A 56 -5.053 -5.849 2.224 1.00 0.00 N ATOM 805 CA MET A 56 -5.446 -7.179 2.675 1.00 0.00 C ATOM 806 C MET A 56 -5.756 -7.177 4.168 1.00 0.00 C ATOM 807 O MET A 56 -5.298 -6.305 4.905 1.00 0.00 O ATOM 808 CB MET A 56 -4.338 -8.191 2.373 1.00 0.00 C ATOM 809 CG MET A 56 -3.336 -8.349 3.505 1.00 0.00 C ATOM 810 SD MET A 56 -1.732 -8.944 2.934 1.00 0.00 S ATOM 811 CE MET A 56 -1.412 -10.246 4.122 1.00 0.00 C ATOM 0 H MET A 56 -4.674 -5.250 2.957 1.00 0.00 H new ATOM 0 HA MET A 56 -6.348 -7.467 2.135 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.790 -9.160 2.161 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.810 -7.881 1.471 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.206 -7.390 4.007 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.735 -9.044 4.244 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.452 -10.712 3.901 1.00 0.00 H new ATOM 0 HE2 MET A 56 -1.388 -9.824 5.127 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.201 -10.995 4.062 1.00 0.00 H new ATOM 821 N GLU A 57 -6.538 -8.159 4.607 1.00 0.00 N ATOM 822 CA GLU A 57 -6.910 -8.268 6.012 1.00 0.00 C ATOM 823 C GLU A 57 -5.855 -9.044 6.795 1.00 0.00 C ATOM 824 O GLU A 57 -5.395 -10.100 6.362 1.00 0.00 O ATOM 825 CB GLU A 57 -8.271 -8.954 6.151 1.00 0.00 C ATOM 826 CG GLU A 57 -8.567 -9.439 7.560 1.00 0.00 C ATOM 827 CD GLU A 57 -10.045 -9.682 7.794 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.866 -8.911 7.254 1.00 0.00 O ATOM 829 OE2 GLU A 57 -10.382 -10.643 8.518 1.00 0.00 O ATOM 0 H GLU A 57 -6.926 -8.890 4.010 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.976 -7.261 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -9.052 -8.259 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.312 -9.802 5.468 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -8.017 -10.361 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.206 -8.702 8.277 1.00 0.00 H new ATOM 836 N LYS A 58 -5.476 -8.512 7.953 1.00 0.00 N ATOM 837 CA LYS A 58 -4.476 -9.153 8.799 1.00 0.00 C ATOM 838 C LYS A 58 -4.906 -10.568 9.173 1.00 0.00 C ATOM 839 O LYS A 58 -5.643 -10.768 10.137 1.00 0.00 O ATOM 840 CB LYS A 58 -4.245 -8.326 10.066 1.00 0.00 C ATOM 841 CG LYS A 58 -2.828 -8.421 10.604 1.00 0.00 C ATOM 842 CD LYS A 58 -1.920 -7.380 9.969 1.00 0.00 C ATOM 843 CE LYS A 58 -2.442 -5.970 10.200 1.00 0.00 C ATOM 844 NZ LYS A 58 -3.289 -5.500 9.069 1.00 0.00 N ATOM 0 H LYS A 58 -5.847 -7.638 8.327 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.544 -9.213 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.475 -7.282 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.941 -8.656 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -2.838 -8.285 11.685 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.431 -9.418 10.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.916 -7.470 10.384 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.841 -7.569 8.898 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.021 -5.944 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.602 -5.289 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.046 -4.515 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.122 -6.101 8.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -4.292 -5.555 9.340 1.00 0.00 H new ATOM 858 N GLY A 59 -4.438 -11.546 8.403 1.00 0.00 N ATOM 859 CA GLY A 59 -4.784 -12.930 8.671 1.00 0.00 C ATOM 860 C GLY A 59 -5.548 -13.569 7.528 1.00 0.00 C ATOM 861 O GLY A 59 -6.464 -14.361 7.749 1.00 0.00 O ATOM 0 H GLY A 59 -3.826 -11.405 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.873 -13.499 8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.385 -12.982 9.579 1.00 0.00 H new ATOM 865 N THR A 60 -5.172 -13.222 6.301 1.00 0.00 N ATOM 866 CA THR A 60 -5.830 -13.765 5.119 1.00 0.00 C ATOM 867 C THR A 60 -4.821 -14.416 4.179 1.00 0.00 C ATOM 868 O THR A 60 -5.120 -15.419 3.531 1.00 0.00 O ATOM 869 CB THR A 60 -6.598 -12.672 4.352 1.00 0.00 C ATOM 870 OG1 THR A 60 -7.057 -11.666 5.262 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.783 -13.266 3.605 1.00 0.00 C ATOM 0 H THR A 60 -4.416 -12.568 6.100 1.00 0.00 H new ATOM 0 HA THR A 60 -6.536 -14.518 5.468 1.00 0.00 H new ATOM 0 HB THR A 60 -5.920 -12.223 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.376 -10.967 5.348 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.310 -12.475 3.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 -7.428 -14.011 2.893 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.461 -13.738 4.316 1.00 0.00 H new ATOM 879 N ASP A 61 -3.627 -13.839 4.109 1.00 0.00 N ATOM 880 CA ASP A 61 -2.573 -14.364 3.249 1.00 0.00 C ATOM 881 C ASP A 61 -2.902 -14.126 1.779 1.00 0.00 C ATOM 882 O ASP A 61 -2.434 -14.852 0.901 1.00 0.00 O ATOM 883 CB ASP A 61 -2.375 -15.859 3.504 1.00 0.00 C ATOM 884 CG ASP A 61 -1.009 -16.346 3.061 1.00 0.00 C ATOM 885 OD1 ASP A 61 -0.078 -15.517 2.986 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.871 -17.557 2.790 1.00 0.00 O ATOM 0 H ASP A 61 -3.364 -13.007 4.638 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.649 -13.837 3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.503 -16.063 4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.146 -16.420 2.976 1.00 0.00 H new ATOM 891 N LYS A 62 -3.710 -13.105 1.517 1.00 0.00 N ATOM 892 CA LYS A 62 -4.103 -12.769 0.153 1.00 0.00 C ATOM 893 C LYS A 62 -4.374 -11.274 0.017 1.00 0.00 C ATOM 894 O LYS A 62 -5.352 -10.760 0.560 1.00 0.00 O ATOM 895 CB LYS A 62 -5.348 -13.563 -0.251 1.00 0.00 C ATOM 896 CG LYS A 62 -5.033 -14.906 -0.886 1.00 0.00 C ATOM 897 CD LYS A 62 -4.806 -14.776 -2.383 1.00 0.00 C ATOM 898 CE LYS A 62 -6.116 -14.572 -3.129 1.00 0.00 C ATOM 899 NZ LYS A 62 -7.034 -15.734 -2.966 1.00 0.00 N ATOM 0 H LYS A 62 -4.106 -12.495 2.232 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.280 -13.033 -0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.968 -13.724 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.936 -12.969 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -4.145 -15.331 -0.418 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.854 -15.599 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.139 -13.936 -2.580 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -4.309 -15.672 -2.756 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.605 -13.669 -2.764 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.910 -14.417 -4.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.721 -15.746 -3.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.483 -16.616 -2.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.540 -15.652 -2.061 1.00 0.00 H new ATOM 913 N GLU A 63 -3.503 -10.583 -0.711 1.00 0.00 N ATOM 914 CA GLU A 63 -3.650 -9.147 -0.918 1.00 0.00 C ATOM 915 C GLU A 63 -4.159 -8.850 -2.325 1.00 0.00 C ATOM 916 O GLU A 63 -4.026 -9.673 -3.231 1.00 0.00 O ATOM 917 CB GLU A 63 -2.315 -8.437 -0.685 1.00 0.00 C ATOM 918 CG GLU A 63 -1.341 -8.576 -1.843 1.00 0.00 C ATOM 919 CD GLU A 63 -0.644 -9.923 -1.860 1.00 0.00 C ATOM 920 OE1 GLU A 63 -0.066 -10.305 -0.821 1.00 0.00 O ATOM 921 OE2 GLU A 63 -0.677 -10.594 -2.912 1.00 0.00 O ATOM 0 H GLU A 63 -2.688 -10.994 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.381 -8.775 -0.200 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.503 -7.379 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.853 -8.837 0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.876 -8.436 -2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.594 -7.785 -1.781 1.00 0.00 H new ATOM 928 N GLN A 64 -4.742 -7.668 -2.500 1.00 0.00 N ATOM 929 CA GLN A 64 -5.271 -7.263 -3.797 1.00 0.00 C ATOM 930 C GLN A 64 -4.514 -6.056 -4.341 1.00 0.00 C ATOM 931 O GLN A 64 -3.532 -5.608 -3.749 1.00 0.00 O ATOM 932 CB GLN A 64 -6.761 -6.935 -3.683 1.00 0.00 C ATOM 933 CG GLN A 64 -7.621 -8.133 -3.313 1.00 0.00 C ATOM 934 CD GLN A 64 -8.026 -8.956 -4.519 1.00 0.00 C ATOM 935 OE1 GLN A 64 -7.304 -9.017 -5.515 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.187 -9.595 -4.438 1.00 0.00 N ATOM 0 H GLN A 64 -4.860 -6.975 -1.761 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.140 -8.094 -4.490 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.897 -6.155 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -7.109 -6.528 -4.633 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.074 -8.765 -2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.517 -7.787 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.754 -9.517 -3.594 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.512 -10.164 -5.220 1.00 0.00 H new ATOM 945 N ASP A 65 -4.976 -5.535 -5.472 1.00 0.00 N ATOM 946 CA ASP A 65 -4.342 -4.379 -6.097 1.00 0.00 C ATOM 947 C ASP A 65 -5.384 -3.470 -6.741 1.00 0.00 C ATOM 948 O ASP A 65 -6.247 -3.930 -7.489 1.00 0.00 O ATOM 949 CB ASP A 65 -3.325 -4.833 -7.145 1.00 0.00 C ATOM 950 CG ASP A 65 -3.982 -5.262 -8.442 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.381 -6.441 -8.544 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.099 -4.418 -9.355 1.00 0.00 O ATOM 0 H ASP A 65 -5.787 -5.894 -5.975 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.825 -3.815 -5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.627 -4.020 -7.346 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.741 -5.662 -6.745 1.00 0.00 H new ATOM 957 N VAL A 66 -5.298 -2.177 -6.445 1.00 0.00 N ATOM 958 CA VAL A 66 -6.233 -1.203 -6.995 1.00 0.00 C ATOM 959 C VAL A 66 -5.500 -0.112 -7.766 1.00 0.00 C ATOM 960 O VAL A 66 -4.600 0.540 -7.235 1.00 0.00 O ATOM 961 CB VAL A 66 -7.082 -0.552 -5.887 1.00 0.00 C ATOM 962 CG1 VAL A 66 -8.171 -1.504 -5.418 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.200 -0.123 -4.724 1.00 0.00 C ATOM 0 H VAL A 66 -4.590 -1.780 -5.827 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.891 -1.745 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.563 0.336 -6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.760 -1.026 -4.635 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.819 -1.757 -6.257 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.715 -2.413 -5.025 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.816 0.335 -3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.690 -0.994 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.461 0.598 -5.074 1.00 0.00 H new ATOM 973 N ASP A 67 -5.890 0.082 -9.021 1.00 0.00 N ATOM 974 CA ASP A 67 -5.270 1.096 -9.866 1.00 0.00 C ATOM 975 C ASP A 67 -5.705 2.496 -9.443 1.00 0.00 C ATOM 976 O ASP A 67 -6.887 2.835 -9.503 1.00 0.00 O ATOM 977 CB ASP A 67 -5.631 0.858 -11.333 1.00 0.00 C ATOM 978 CG ASP A 67 -6.953 1.495 -11.715 1.00 0.00 C ATOM 979 OD1 ASP A 67 -6.961 2.704 -12.027 1.00 0.00 O ATOM 980 OD2 ASP A 67 -7.979 0.784 -11.702 1.00 0.00 O ATOM 0 H ASP A 67 -6.632 -0.449 -9.476 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.189 1.020 -9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -4.841 1.259 -11.968 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.679 -0.214 -11.523 1.00 0.00 H new ATOM 985 N VAL A 68 -4.742 3.305 -9.014 1.00 0.00 N ATOM 986 CA VAL A 68 -5.025 4.668 -8.581 1.00 0.00 C ATOM 987 C VAL A 68 -4.199 5.678 -9.369 1.00 0.00 C ATOM 988 O VAL A 68 -3.020 5.453 -9.641 1.00 0.00 O ATOM 989 CB VAL A 68 -4.741 4.850 -7.078 1.00 0.00 C ATOM 990 CG1 VAL A 68 -5.010 6.285 -6.653 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.575 3.878 -6.257 1.00 0.00 C ATOM 0 H VAL A 68 -3.759 3.040 -8.957 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.084 4.845 -8.767 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.688 4.634 -6.897 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.804 6.394 -5.588 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.366 6.959 -7.218 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.054 6.533 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.362 4.020 -5.198 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.634 4.061 -6.442 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.328 2.855 -6.543 1.00 0.00 H new ATOM 1001 N SER A 69 -4.825 6.793 -9.732 1.00 0.00 N ATOM 1002 CA SER A 69 -4.148 7.837 -10.492 1.00 0.00 C ATOM 1003 C SER A 69 -3.558 8.891 -9.560 1.00 0.00 C ATOM 1004 O SER A 69 -2.459 9.395 -9.791 1.00 0.00 O ATOM 1005 CB SER A 69 -5.121 8.495 -11.473 1.00 0.00 C ATOM 1006 OG SER A 69 -5.505 7.591 -12.494 1.00 0.00 O ATOM 0 H SER A 69 -5.800 6.996 -9.512 1.00 0.00 H new ATOM 0 HA SER A 69 -3.335 7.375 -11.052 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.005 8.840 -10.937 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.655 9.374 -11.918 1.00 0.00 H new ATOM 0 HG SER A 69 -6.128 8.035 -13.107 1.00 0.00 H new ATOM 1012 N SER A 70 -4.296 9.220 -8.505 1.00 0.00 N ATOM 1013 CA SER A 70 -3.849 10.217 -7.539 1.00 0.00 C ATOM 1014 C SER A 70 -3.078 9.559 -6.398 1.00 0.00 C ATOM 1015 O SER A 70 -3.118 8.341 -6.227 1.00 0.00 O ATOM 1016 CB SER A 70 -5.045 10.991 -6.981 1.00 0.00 C ATOM 1017 OG SER A 70 -5.699 10.255 -5.962 1.00 0.00 O ATOM 0 H SER A 70 -5.207 8.811 -8.297 1.00 0.00 H new ATOM 0 HA SER A 70 -3.184 10.912 -8.052 1.00 0.00 H new ATOM 0 HB2 SER A 70 -4.709 11.949 -6.583 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.748 11.209 -7.785 1.00 0.00 H new ATOM 0 HG SER A 70 -6.458 10.772 -5.621 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.375 10.376 -5.619 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.594 9.876 -4.494 1.00 0.00 C ATOM 1025 C HIS A 71 -2.468 9.720 -3.253 1.00 0.00 C ATOM 1026 O HIS A 71 -1.975 9.762 -2.126 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.428 10.818 -4.196 1.00 0.00 C ATOM 1028 CG HIS A 71 0.395 11.153 -5.401 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.012 12.088 -6.339 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.590 10.671 -5.819 1.00 0.00 C ATOM 1031 CE1 HIS A 71 0.933 12.167 -7.282 1.00 0.00 C ATOM 1032 NE2 HIS A 71 1.902 11.317 -6.990 1.00 0.00 N ATOM 0 H HIS A 71 -2.331 11.387 -5.747 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.199 8.897 -4.764 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.818 11.740 -3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.214 10.361 -3.443 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.186 9.919 -5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.900 12.816 -8.145 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.745 11.165 -7.544 1.00 0.00 H new ATOM 1041 N SER A 72 -3.767 9.542 -3.468 1.00 0.00 N ATOM 1042 CA SER A 72 -4.710 9.385 -2.367 1.00 0.00 C ATOM 1043 C SER A 72 -5.952 8.622 -2.820 1.00 0.00 C ATOM 1044 O SER A 72 -6.702 9.087 -3.678 1.00 0.00 O ATOM 1045 CB SER A 72 -5.113 10.753 -1.813 1.00 0.00 C ATOM 1046 OG SER A 72 -5.672 11.569 -2.828 1.00 0.00 O ATOM 0 H SER A 72 -4.191 9.503 -4.395 1.00 0.00 H new ATOM 0 HA SER A 72 -4.219 8.812 -1.580 1.00 0.00 H new ATOM 0 HB2 SER A 72 -5.835 10.624 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.241 11.247 -1.384 1.00 0.00 H new ATOM 0 HG SER A 72 -6.208 11.016 -3.434 1.00 0.00 H new ATOM 1052 N TYR A 73 -6.161 7.447 -2.237 1.00 0.00 N ATOM 1053 CA TYR A 73 -7.309 6.616 -2.581 1.00 0.00 C ATOM 1054 C TYR A 73 -8.116 6.259 -1.336 1.00 0.00 C ATOM 1055 O TYR A 73 -7.593 6.259 -0.221 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.849 5.341 -3.288 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.989 4.473 -3.774 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.680 4.787 -4.937 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.373 3.339 -3.070 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.722 3.998 -5.384 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.413 2.543 -3.510 1.00 0.00 C ATOM 1062 CZ TYR A 73 -10.084 2.877 -4.667 1.00 0.00 C ATOM 1063 OH TYR A 73 -11.121 2.087 -5.110 1.00 0.00 O ATOM 0 H TYR A 73 -5.550 7.048 -1.524 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.949 7.186 -3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -6.222 5.613 -4.138 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -6.227 4.761 -2.606 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.398 5.663 -5.502 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.850 3.075 -2.163 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.250 4.257 -6.290 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.699 1.664 -2.951 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.248 1.337 -4.492 1.00 0.00 H new ATOM 1073 N THR A 74 -9.394 5.953 -1.534 1.00 0.00 N ATOM 1074 CA THR A 74 -10.274 5.594 -0.430 1.00 0.00 C ATOM 1075 C THR A 74 -10.859 4.200 -0.624 1.00 0.00 C ATOM 1076 O THR A 74 -11.586 3.950 -1.586 1.00 0.00 O ATOM 1077 CB THR A 74 -11.427 6.605 -0.278 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.905 7.937 -0.216 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.239 6.315 0.975 1.00 0.00 C ATOM 0 H THR A 74 -9.843 5.947 -2.450 1.00 0.00 H new ATOM 0 HA THR A 74 -9.667 5.608 0.475 1.00 0.00 H new ATOM 0 HB THR A 74 -12.080 6.511 -1.145 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.644 8.574 -0.121 1.00 0.00 H new ATOM 0 HG21 THR A 74 -13.047 7.041 1.061 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.659 5.311 0.912 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.594 6.384 1.851 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.538 3.295 0.295 1.00 0.00 N ATOM 1088 CA ILE A 75 -11.034 1.926 0.225 1.00 0.00 C ATOM 1089 C ILE A 75 -12.247 1.734 1.129 1.00 0.00 C ATOM 1090 O ILE A 75 -12.136 1.786 2.353 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.945 0.912 0.623 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.746 1.023 -0.320 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.508 -0.501 0.610 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.459 0.494 0.275 1.00 0.00 C ATOM 0 H ILE A 75 -9.937 3.485 1.097 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.324 1.748 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.609 1.139 1.635 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.964 0.477 -1.238 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.607 2.068 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.727 -1.207 0.893 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.334 -0.570 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.867 -0.740 -0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.651 0.604 -0.449 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.217 1.056 1.177 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.580 -0.560 0.526 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.405 1.510 0.516 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.640 1.308 1.265 1.00 0.00 C ATOM 1108 C ASN A 76 -15.026 -0.168 1.290 1.00 0.00 C ATOM 1109 O ASN A 76 -14.381 -1.000 0.654 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.773 2.133 0.653 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.376 3.578 0.420 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.653 4.450 1.243 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -14.723 3.838 -0.707 1.00 0.00 N ATOM 0 H ASN A 76 -13.514 1.464 -0.497 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.472 1.639 2.290 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.075 1.685 -0.294 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -16.640 2.099 1.312 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -14.430 4.792 -0.918 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -14.514 3.084 -1.361 1.00 0.00 H new ATOM 1120 N GLY A 77 -16.085 -0.485 2.029 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.540 -1.860 2.123 1.00 0.00 C ATOM 1122 C GLY A 77 -15.615 -2.721 2.959 1.00 0.00 C ATOM 1123 O GLY A 77 -15.235 -3.818 2.549 1.00 0.00 O ATOM 0 H GLY A 77 -16.636 0.186 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.540 -1.880 2.556 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.618 -2.283 1.121 1.00 0.00 H new ATOM 1127 N LEU A 78 -15.249 -2.223 4.136 1.00 0.00 N ATOM 1128 CA LEU A 78 -14.361 -2.954 5.033 1.00 0.00 C ATOM 1129 C LEU A 78 -15.061 -3.279 6.348 1.00 0.00 C ATOM 1130 O LEU A 78 -16.110 -2.714 6.661 1.00 0.00 O ATOM 1131 CB LEU A 78 -13.095 -2.139 5.304 1.00 0.00 C ATOM 1132 CG LEU A 78 -12.314 -1.682 4.071 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -11.165 -0.772 4.474 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.798 -2.882 3.290 1.00 0.00 C ATOM 0 H LEU A 78 -15.554 -1.316 4.491 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.087 -3.891 4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.372 -1.257 5.882 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.431 -2.735 5.930 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.988 -1.118 3.427 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.621 -0.457 3.584 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.558 0.105 4.988 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.491 -1.311 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -11.245 -2.537 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -11.140 -3.474 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.639 -3.496 2.968 1.00 0.00 H new ATOM 1146 N LYS A 79 -14.474 -4.190 7.116 1.00 0.00 N ATOM 1147 CA LYS A 79 -15.039 -4.588 8.400 1.00 0.00 C ATOM 1148 C LYS A 79 -14.656 -3.596 9.494 1.00 0.00 C ATOM 1149 O LYS A 79 -13.612 -2.948 9.421 1.00 0.00 O ATOM 1150 CB LYS A 79 -14.559 -5.991 8.779 1.00 0.00 C ATOM 1151 CG LYS A 79 -15.339 -7.104 8.100 1.00 0.00 C ATOM 1152 CD LYS A 79 -16.605 -7.446 8.868 1.00 0.00 C ATOM 1153 CE LYS A 79 -16.298 -8.264 10.113 1.00 0.00 C ATOM 1154 NZ LYS A 79 -17.358 -8.118 11.148 1.00 0.00 N ATOM 0 H LYS A 79 -13.606 -4.667 6.871 1.00 0.00 H new ATOM 0 HA LYS A 79 -16.125 -4.595 8.304 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.505 -6.087 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.635 -6.112 9.860 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.598 -6.801 7.085 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.711 -7.991 8.017 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -17.119 -6.528 9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -17.284 -8.004 8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -16.198 -9.315 9.841 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.340 -7.949 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -17.112 -8.691 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -17.436 -7.119 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -18.267 -8.442 10.762 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.507 -3.483 10.509 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.257 -2.573 11.620 1.00 0.00 C ATOM 1170 C LYS A 80 -14.291 -3.192 12.624 1.00 0.00 C ATOM 1171 O LYS A 80 -14.328 -4.398 12.873 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.571 -2.212 12.316 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.609 -1.612 11.383 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.490 -2.685 10.764 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.795 -2.102 10.244 1.00 0.00 C ATOM 1176 NZ LYS A 80 -20.329 -2.880 9.092 1.00 0.00 N ATOM 0 H LYS A 80 -16.376 -4.011 10.584 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.804 -1.666 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.985 -3.108 12.779 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.365 -1.505 13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.229 -0.904 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.109 -1.051 10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.956 -3.170 9.947 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.704 -3.454 11.506 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.532 -2.089 11.047 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.635 -1.067 9.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -21.219 -2.451 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -19.636 -2.871 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.505 -3.861 9.388 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.429 -2.361 13.199 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.452 -2.828 14.176 1.00 0.00 C ATOM 1192 C TYR A 81 -11.626 -3.980 13.612 1.00 0.00 C ATOM 1193 O TYR A 81 -11.526 -5.046 14.222 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.156 -3.270 15.460 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.311 -3.099 16.703 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.746 -1.870 17.019 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -12.080 -4.167 17.561 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.974 -1.709 18.153 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.310 -4.015 18.698 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.758 -2.785 18.989 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.991 -2.628 20.120 1.00 0.00 O ATOM 0 H TYR A 81 -13.387 -1.360 13.006 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.780 -2.001 14.405 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -14.077 -2.698 15.575 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.441 -4.318 15.366 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.913 -1.026 16.367 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.509 -5.132 17.335 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.542 -0.746 18.384 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -11.141 -4.855 19.356 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.938 -3.481 20.600 1.00 0.00 H new ATOM 1211 N THR A 82 -11.033 -3.759 12.443 1.00 0.00 N ATOM 1212 CA THR A 82 -10.216 -4.777 11.796 1.00 0.00 C ATOM 1213 C THR A 82 -8.987 -4.159 11.138 1.00 0.00 C ATOM 1214 O THR A 82 -9.100 -3.225 10.345 1.00 0.00 O ATOM 1215 CB THR A 82 -11.019 -5.549 10.732 1.00 0.00 C ATOM 1216 OG1 THR A 82 -12.176 -6.145 11.329 1.00 0.00 O ATOM 1217 CG2 THR A 82 -10.163 -6.628 10.086 1.00 0.00 C ATOM 0 H THR A 82 -11.104 -2.883 11.925 1.00 0.00 H new ATOM 0 HA THR A 82 -9.899 -5.470 12.575 1.00 0.00 H new ATOM 0 HB THR A 82 -11.330 -4.844 9.961 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.772 -5.441 11.660 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.751 -7.160 9.338 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.298 -6.168 9.608 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.826 -7.330 10.849 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.814 -4.687 11.474 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.564 -4.186 10.915 1.00 0.00 C ATOM 1227 C GLU A 83 -6.421 -4.590 9.450 1.00 0.00 C ATOM 1228 O GLU A 83 -6.886 -5.654 9.041 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.373 -4.712 11.719 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.185 -3.764 11.738 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.241 -4.036 12.893 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -3.083 -5.217 13.266 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.659 -3.066 13.423 1.00 0.00 O ATOM 0 H GLU A 83 -7.703 -5.460 12.130 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.581 -3.098 10.973 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.692 -4.901 12.744 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.057 -5.668 11.302 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.639 -3.853 10.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.545 -2.737 11.802 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.777 -3.733 8.666 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.576 -3.999 7.247 1.00 0.00 C ATOM 1242 C TYR A 84 -4.213 -3.491 6.785 1.00 0.00 C ATOM 1243 O TYR A 84 -3.845 -2.345 7.044 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.684 -3.342 6.421 1.00 0.00 C ATOM 1245 CG TYR A 84 -7.978 -4.123 6.416 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.194 -5.142 5.496 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -8.986 -3.843 7.331 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.376 -5.857 5.486 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.170 -4.555 7.330 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.361 -5.560 6.405 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.538 -6.272 6.400 1.00 0.00 O ATOM 0 H TYR A 84 -5.385 -2.848 8.989 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.612 -5.078 7.097 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.874 -2.343 6.813 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.338 -3.222 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.424 -5.379 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.841 -3.055 8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.528 -6.644 4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -10.942 -4.326 8.050 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.367 -7.189 6.702 1.00 0.00 H new ATOM 1261 N SER A 85 -3.470 -4.353 6.099 1.00 0.00 N ATOM 1262 CA SER A 85 -2.146 -3.994 5.603 1.00 0.00 C ATOM 1263 C SER A 85 -2.248 -3.235 4.283 1.00 0.00 C ATOM 1264 O SER A 85 -3.159 -3.468 3.489 1.00 0.00 O ATOM 1265 CB SER A 85 -1.290 -5.248 5.419 1.00 0.00 C ATOM 1266 OG SER A 85 0.088 -4.952 5.568 1.00 0.00 O ATOM 0 H SER A 85 -3.762 -5.304 5.874 1.00 0.00 H new ATOM 0 HA SER A 85 -1.673 -3.345 6.340 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.584 -6.003 6.148 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.469 -5.673 4.431 1.00 0.00 H new ATOM 0 HG SER A 85 0.619 -5.605 5.066 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.305 -2.327 4.056 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.287 -1.533 2.833 1.00 0.00 C ATOM 1274 C PHE A 86 0.143 -1.302 2.354 1.00 0.00 C ATOM 1275 O PHE A 86 1.053 -1.102 3.159 1.00 0.00 O ATOM 1276 CB PHE A 86 -1.983 -0.189 3.062 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.453 -0.316 3.343 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.338 -0.660 2.334 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -3.950 -0.092 4.617 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.691 -0.777 2.590 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.303 -0.207 4.879 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.174 -0.551 3.864 1.00 0.00 C ATOM 0 H PHE A 86 -0.543 -2.123 4.703 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.824 -2.087 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.504 0.321 3.898 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -1.842 0.439 2.182 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.966 -0.839 1.336 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.273 0.176 5.415 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.370 -1.045 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.678 -0.028 5.876 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.231 -0.643 4.066 1.00 0.00 H new ATOM 1292 N ARG A 87 0.333 -1.332 1.039 1.00 0.00 N ATOM 1293 CA ARG A 87 1.652 -1.128 0.453 1.00 0.00 C ATOM 1294 C ARG A 87 1.539 -0.513 -0.939 1.00 0.00 C ATOM 1295 O ARG A 87 0.804 -1.011 -1.792 1.00 0.00 O ATOM 1296 CB ARG A 87 2.410 -2.455 0.376 1.00 0.00 C ATOM 1297 CG ARG A 87 1.702 -3.513 -0.454 1.00 0.00 C ATOM 1298 CD ARG A 87 2.558 -4.760 -0.616 1.00 0.00 C ATOM 1299 NE ARG A 87 2.225 -5.499 -1.831 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.018 -6.415 -2.374 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.185 -6.703 -1.814 1.00 0.00 N ATOM 1302 NH2 ARG A 87 2.645 -7.045 -3.481 1.00 0.00 N ATOM 0 H ARG A 87 -0.410 -1.496 0.359 1.00 0.00 H new ATOM 0 HA ARG A 87 2.204 -0.439 1.092 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.399 -2.275 -0.047 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.560 -2.837 1.386 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.758 -3.778 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.461 -3.106 -1.436 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.610 -4.477 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 87 2.423 -5.407 0.250 1.00 0.00 H new ATOM 0 HE ARG A 87 1.335 -5.301 -2.287 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.476 -6.220 -0.964 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.792 -7.407 -2.234 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.749 -6.826 -3.915 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.255 -7.749 -3.898 1.00 0.00 H new ATOM 1316 N VAL A 88 2.272 0.574 -1.161 1.00 0.00 N ATOM 1317 CA VAL A 88 2.255 1.257 -2.449 1.00 0.00 C ATOM 1318 C VAL A 88 3.488 0.906 -3.274 1.00 0.00 C ATOM 1319 O VAL A 88 4.600 0.836 -2.750 1.00 0.00 O ATOM 1320 CB VAL A 88 2.188 2.786 -2.272 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.147 3.479 -3.626 1.00 0.00 C ATOM 1322 CG2 VAL A 88 0.981 3.172 -1.430 1.00 0.00 C ATOM 0 H VAL A 88 2.885 1.000 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 88 1.362 0.919 -2.975 1.00 0.00 H new ATOM 0 HB VAL A 88 3.087 3.114 -1.750 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.100 4.558 -3.481 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.045 3.228 -4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.267 3.148 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.949 4.255 -1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.070 2.832 -1.923 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.058 2.705 -0.448 1.00 0.00 H new ATOM 1332 N VAL A 89 3.284 0.686 -4.569 1.00 0.00 N ATOM 1333 CA VAL A 89 4.379 0.343 -5.468 1.00 0.00 C ATOM 1334 C VAL A 89 4.479 1.340 -6.617 1.00 0.00 C ATOM 1335 O VAL A 89 3.477 1.683 -7.243 1.00 0.00 O ATOM 1336 CB VAL A 89 4.208 -1.075 -6.046 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.268 -1.352 -7.101 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.265 -2.113 -4.935 1.00 0.00 C ATOM 0 H VAL A 89 2.370 0.739 -5.019 1.00 0.00 H new ATOM 0 HA VAL A 89 5.295 0.379 -4.879 1.00 0.00 H new ATOM 0 HB VAL A 89 3.230 -1.140 -6.522 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.132 -2.358 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.175 -0.627 -7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.258 -1.270 -6.652 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.143 -3.109 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.228 -2.051 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.465 -1.924 -4.219 1.00 0.00 H new ATOM 1348 N ALA A 90 5.696 1.801 -6.889 1.00 0.00 N ATOM 1349 CA ALA A 90 5.927 2.757 -7.964 1.00 0.00 C ATOM 1350 C ALA A 90 6.146 2.044 -9.295 1.00 0.00 C ATOM 1351 O ALA A 90 6.976 1.141 -9.397 1.00 0.00 O ATOM 1352 CB ALA A 90 7.121 3.642 -7.636 1.00 0.00 C ATOM 0 H ALA A 90 6.536 1.528 -6.380 1.00 0.00 H new ATOM 0 HA ALA A 90 5.039 3.382 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.282 4.351 -8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.928 4.186 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.010 3.023 -7.513 1.00 0.00 H new ATOM 1358 N TYR A 91 5.395 2.454 -10.310 1.00 0.00 N ATOM 1359 CA TYR A 91 5.504 1.852 -11.634 1.00 0.00 C ATOM 1360 C TYR A 91 5.996 2.872 -12.657 1.00 0.00 C ATOM 1361 O TYR A 91 5.379 3.918 -12.854 1.00 0.00 O ATOM 1362 CB TYR A 91 4.153 1.285 -12.072 1.00 0.00 C ATOM 1363 CG TYR A 91 3.867 -0.094 -11.520 1.00 0.00 C ATOM 1364 CD1 TYR A 91 3.335 -0.257 -10.247 1.00 0.00 C ATOM 1365 CD2 TYR A 91 4.129 -1.232 -12.272 1.00 0.00 C ATOM 1366 CE1 TYR A 91 3.074 -1.515 -9.738 1.00 0.00 C ATOM 1367 CE2 TYR A 91 3.869 -2.494 -11.772 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.342 -2.630 -10.504 1.00 0.00 C ATOM 1369 OH TYR A 91 3.082 -3.884 -10.002 1.00 0.00 O ATOM 0 H TYR A 91 4.704 3.201 -10.242 1.00 0.00 H new ATOM 0 HA TYR A 91 6.230 1.041 -11.578 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.363 1.965 -11.754 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.121 1.245 -13.161 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.122 0.614 -9.645 1.00 0.00 H new ATOM 0 HD2 TYR A 91 4.543 -1.129 -13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 91 2.662 -1.624 -8.746 1.00 0.00 H new ATOM 0 HE2 TYR A 91 4.077 -3.369 -12.370 1.00 0.00 H new ATOM 0 HH TYR A 91 3.326 -4.560 -10.668 1.00 0.00 H new ATOM 1379 N ASN A 92 7.112 2.557 -13.307 1.00 0.00 N ATOM 1380 CA ASN A 92 7.688 3.444 -14.311 1.00 0.00 C ATOM 1381 C ASN A 92 7.646 2.801 -15.694 1.00 0.00 C ATOM 1382 O ASN A 92 7.466 1.590 -15.822 1.00 0.00 O ATOM 1383 CB ASN A 92 9.131 3.795 -13.943 1.00 0.00 C ATOM 1384 CG ASN A 92 9.225 5.064 -13.118 1.00 0.00 C ATOM 1385 OD1 ASN A 92 8.314 5.892 -13.126 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.330 5.222 -12.399 1.00 0.00 N ATOM 0 H ASN A 92 7.635 1.694 -13.156 1.00 0.00 H new ATOM 0 HA ASN A 92 7.094 4.357 -14.337 1.00 0.00 H new ATOM 0 HB2 ASN A 92 9.572 2.969 -13.385 1.00 0.00 H new ATOM 0 HB3 ASN A 92 9.717 3.913 -14.854 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.449 6.056 -11.823 1.00 0.00 H new ATOM 0 HD22 ASN A 92 11.060 4.510 -12.422 1.00 0.00 H new ATOM 1393 N LYS A 93 7.814 3.621 -16.726 1.00 0.00 N ATOM 1394 CA LYS A 93 7.797 3.134 -18.100 1.00 0.00 C ATOM 1395 C LYS A 93 8.524 1.797 -18.213 1.00 0.00 C ATOM 1396 O LYS A 93 8.118 0.921 -18.976 1.00 0.00 O ATOM 1397 CB LYS A 93 8.444 4.159 -19.034 1.00 0.00 C ATOM 1398 CG LYS A 93 9.907 4.425 -18.725 1.00 0.00 C ATOM 1399 CD LYS A 93 10.599 5.141 -19.873 1.00 0.00 C ATOM 1400 CE LYS A 93 10.469 6.651 -19.747 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.265 7.183 -18.607 1.00 0.00 N ATOM 0 H LYS A 93 7.963 4.626 -16.637 1.00 0.00 H new ATOM 0 HA LYS A 93 6.758 2.988 -18.394 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.357 3.807 -20.062 1.00 0.00 H new ATOM 0 HB3 LYS A 93 7.891 5.096 -18.970 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.985 5.027 -17.820 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.415 3.482 -18.525 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.654 4.866 -19.892 1.00 0.00 H new ATOM 0 HD3 LYS A 93 10.167 4.815 -20.819 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.800 7.122 -20.672 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.420 6.915 -19.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.461 8.193 -18.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.728 7.066 -17.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.163 6.663 -18.538 1.00 0.00 H new ATOM 1415 N HIS A 94 9.600 1.648 -17.447 1.00 0.00 N ATOM 1416 CA HIS A 94 10.383 0.417 -17.459 1.00 0.00 C ATOM 1417 C HIS A 94 9.613 -0.723 -16.798 1.00 0.00 C ATOM 1418 O HIS A 94 9.231 -1.690 -17.455 1.00 0.00 O ATOM 1419 CB HIS A 94 11.717 0.629 -16.744 1.00 0.00 C ATOM 1420 CG HIS A 94 12.347 1.957 -17.032 1.00 0.00 C ATOM 1421 ND1 HIS A 94 13.098 2.205 -18.162 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.332 3.114 -16.331 1.00 0.00 C ATOM 1423 CE1 HIS A 94 13.520 3.456 -18.141 1.00 0.00 C ATOM 1424 NE2 HIS A 94 13.068 4.030 -17.041 1.00 0.00 N ATOM 0 H HIS A 94 9.950 2.364 -16.810 1.00 0.00 H new ATOM 0 HA HIS A 94 10.575 0.148 -18.498 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.563 0.535 -15.669 1.00 0.00 H new ATOM 0 HB3 HIS A 94 12.407 -0.162 -17.037 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.834 3.285 -15.388 1.00 0.00 H new ATOM 0 HE1 HIS A 94 14.131 3.929 -18.895 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.238 4.997 -16.764 1.00 0.00 H new ATOM 1433 N GLY A 95 9.390 -0.601 -15.493 1.00 0.00 N ATOM 1434 CA GLY A 95 8.668 -1.628 -14.765 1.00 0.00 C ATOM 1435 C GLY A 95 8.495 -1.286 -13.298 1.00 0.00 C ATOM 1436 O GLY A 95 8.814 -0.183 -12.854 1.00 0.00 O ATOM 0 H GLY A 95 9.696 0.190 -14.927 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.688 -1.770 -15.220 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.201 -2.575 -14.854 1.00 0.00 H new ATOM 1440 N PRO A 96 7.978 -2.248 -12.519 1.00 0.00 N ATOM 1441 CA PRO A 96 7.751 -2.066 -11.083 1.00 0.00 C ATOM 1442 C PRO A 96 9.054 -1.993 -10.294 1.00 0.00 C ATOM 1443 O PRO A 96 9.946 -2.821 -10.473 1.00 0.00 O ATOM 1444 CB PRO A 96 6.957 -3.314 -10.689 1.00 0.00 C ATOM 1445 CG PRO A 96 7.334 -4.339 -11.702 1.00 0.00 C ATOM 1446 CD PRO A 96 7.575 -3.587 -12.981 1.00 0.00 C ATOM 0 HA PRO A 96 7.236 -1.130 -10.867 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.210 -3.642 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 96 5.884 -3.121 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.228 -4.882 -11.394 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.540 -5.076 -11.826 1.00 0.00 H new ATOM 0 HD2 PRO A 96 8.354 -4.056 -13.582 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.677 -3.546 -13.598 1.00 0.00 H new ATOM 1454 N GLY A 97 9.157 -0.996 -9.421 1.00 0.00 N ATOM 1455 CA GLY A 97 10.355 -0.833 -8.618 1.00 0.00 C ATOM 1456 C GLY A 97 10.295 -1.618 -7.322 1.00 0.00 C ATOM 1457 O GLY A 97 10.194 -2.845 -7.335 1.00 0.00 O ATOM 0 H GLY A 97 8.432 -0.298 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.222 -1.155 -9.195 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.497 0.224 -8.393 1.00 0.00 H new ATOM 1461 N VAL A 98 10.360 -0.909 -6.200 1.00 0.00 N ATOM 1462 CA VAL A 98 10.313 -1.546 -4.889 1.00 0.00 C ATOM 1463 C VAL A 98 8.895 -1.549 -4.330 1.00 0.00 C ATOM 1464 O VAL A 98 7.957 -1.091 -4.984 1.00 0.00 O ATOM 1465 CB VAL A 98 11.246 -0.840 -3.888 1.00 0.00 C ATOM 1466 CG1 VAL A 98 12.696 -0.957 -4.336 1.00 0.00 C ATOM 1467 CG2 VAL A 98 10.846 0.618 -3.724 1.00 0.00 C ATOM 0 H VAL A 98 10.445 0.107 -6.172 1.00 0.00 H new ATOM 0 HA VAL A 98 10.649 -2.574 -5.025 1.00 0.00 H new ATOM 0 HB VAL A 98 11.149 -1.330 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.341 -0.452 -3.617 1.00 0.00 H new ATOM 0 HG12 VAL A 98 12.974 -2.009 -4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 98 12.813 -0.493 -5.316 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.516 1.101 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 98 10.913 1.124 -4.687 1.00 0.00 H new ATOM 0 HG23 VAL A 98 9.822 0.675 -3.354 1.00 0.00 H new ATOM 1477 N SER A 99 8.744 -2.067 -3.115 1.00 0.00 N ATOM 1478 CA SER A 99 7.439 -2.133 -2.468 1.00 0.00 C ATOM 1479 C SER A 99 7.503 -1.555 -1.057 1.00 0.00 C ATOM 1480 O SER A 99 8.113 -2.139 -0.161 1.00 0.00 O ATOM 1481 CB SER A 99 6.944 -3.579 -2.417 1.00 0.00 C ATOM 1482 OG SER A 99 5.673 -3.661 -1.796 1.00 0.00 O ATOM 0 H SER A 99 9.510 -2.447 -2.559 1.00 0.00 H new ATOM 0 HA SER A 99 6.739 -1.538 -3.055 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.885 -3.982 -3.428 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.660 -4.193 -1.870 1.00 0.00 H new ATOM 0 HG SER A 99 5.116 -4.309 -2.276 1.00 0.00 H new ATOM 1488 N THR A 100 6.868 -0.403 -0.867 1.00 0.00 N ATOM 1489 CA THR A 100 6.852 0.256 0.432 1.00 0.00 C ATOM 1490 C THR A 100 6.577 -0.742 1.551 1.00 0.00 C ATOM 1491 O THR A 100 6.017 -1.817 1.334 1.00 0.00 O ATOM 1492 CB THR A 100 5.792 1.373 0.483 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.628 0.977 -0.250 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.344 2.669 -0.091 1.00 0.00 C ATOM 0 H THR A 100 6.358 0.093 -1.598 1.00 0.00 H new ATOM 0 HA THR A 100 7.839 0.696 0.575 1.00 0.00 H new ATOM 0 HB THR A 100 5.523 1.542 1.526 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.676 1.338 -1.160 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.578 3.443 -0.044 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.212 2.983 0.488 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.638 2.511 -1.129 1.00 0.00 H new ATOM 1502 N PRO A 101 6.977 -0.380 2.780 1.00 0.00 N ATOM 1503 CA PRO A 101 6.782 -1.230 3.958 1.00 0.00 C ATOM 1504 C PRO A 101 5.315 -1.336 4.360 1.00 0.00 C ATOM 1505 O PRO A 101 4.619 -0.327 4.476 1.00 0.00 O ATOM 1506 CB PRO A 101 7.586 -0.516 5.047 1.00 0.00 C ATOM 1507 CG PRO A 101 7.625 0.910 4.616 1.00 0.00 C ATOM 1508 CD PRO A 101 7.650 0.887 3.112 1.00 0.00 C ATOM 0 HA PRO A 101 7.101 -2.257 3.778 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.112 -0.622 6.023 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.590 -0.931 5.134 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.754 1.453 4.984 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.506 1.414 5.013 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.126 1.744 2.688 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.669 0.914 2.726 1.00 0.00 H new ATOM 1516 N ASP A 102 4.852 -2.562 4.573 1.00 0.00 N ATOM 1517 CA ASP A 102 3.467 -2.800 4.965 1.00 0.00 C ATOM 1518 C ASP A 102 2.990 -1.734 5.946 1.00 0.00 C ATOM 1519 O ASP A 102 3.681 -1.411 6.913 1.00 0.00 O ATOM 1520 CB ASP A 102 3.322 -4.188 5.590 1.00 0.00 C ATOM 1521 CG ASP A 102 4.127 -5.241 4.854 1.00 0.00 C ATOM 1522 OD1 ASP A 102 5.371 -5.127 4.828 1.00 0.00 O ATOM 1523 OD2 ASP A 102 3.514 -6.180 4.305 1.00 0.00 O ATOM 0 H ASP A 102 5.415 -3.407 4.481 1.00 0.00 H new ATOM 0 HA ASP A 102 2.848 -2.748 4.070 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.644 -4.150 6.631 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.270 -4.474 5.592 1.00 0.00 H new ATOM 1528 N VAL A 103 1.804 -1.190 5.691 1.00 0.00 N ATOM 1529 CA VAL A 103 1.234 -0.161 6.552 1.00 0.00 C ATOM 1530 C VAL A 103 -0.099 -0.611 7.139 1.00 0.00 C ATOM 1531 O VAL A 103 -1.163 -0.242 6.642 1.00 0.00 O ATOM 1532 CB VAL A 103 1.026 1.160 5.787 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.275 2.164 6.647 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.363 1.728 5.333 1.00 0.00 C ATOM 0 H VAL A 103 1.219 -1.445 4.895 1.00 0.00 H new ATOM 0 HA VAL A 103 1.946 0.004 7.360 1.00 0.00 H new ATOM 0 HB VAL A 103 0.424 0.956 4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.138 3.090 6.089 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.699 1.755 6.917 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.847 2.367 7.553 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.198 2.661 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.992 1.918 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.858 1.013 4.676 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.034 -1.410 8.198 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.236 -1.909 8.854 1.00 0.00 C ATOM 1546 C ALA A 104 -1.928 -0.804 9.646 1.00 0.00 C ATOM 1547 O ALA A 104 -1.273 0.028 10.273 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.893 -3.078 9.766 1.00 0.00 C ATOM 0 H ALA A 104 0.839 -1.726 8.620 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.925 -2.254 8.083 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.800 -3.441 10.249 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.450 -3.881 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.183 -2.751 10.526 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.257 -0.801 9.611 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.038 0.201 10.325 1.00 0.00 C ATOM 1556 C VAL A 105 -5.374 -0.370 10.787 1.00 0.00 C ATOM 1557 O VAL A 105 -5.992 -1.174 10.089 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.298 1.440 9.447 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.262 1.104 8.320 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.832 2.588 10.291 1.00 0.00 C ATOM 0 H VAL A 105 -3.815 -1.482 9.095 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.453 0.498 11.195 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.353 1.753 9.003 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.433 1.992 7.711 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.836 0.315 7.700 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.209 0.764 8.740 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.010 3.455 9.655 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.767 2.287 10.765 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.102 2.845 11.059 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.815 0.052 11.968 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.078 -0.418 12.524 1.00 0.00 C ATOM 1572 C ARG A 106 -8.210 0.551 12.197 1.00 0.00 C ATOM 1573 O ARG A 106 -8.090 1.759 12.409 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.960 -0.589 14.039 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.979 -1.553 14.625 1.00 0.00 C ATOM 1576 CD ARG A 106 -8.059 -1.428 16.138 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.832 -1.881 16.789 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.578 -3.153 17.075 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -7.461 -4.094 16.768 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -5.440 -3.487 17.669 1.00 0.00 N ATOM 0 H ARG A 106 -5.316 0.718 12.558 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.308 -1.383 12.073 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.958 -0.943 14.279 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -7.077 0.384 14.516 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.959 -1.356 14.190 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.711 -2.575 14.357 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -8.250 -0.389 16.407 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.902 -2.012 16.506 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.132 -1.182 17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -8.337 -3.842 16.311 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -7.264 -5.070 16.989 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.758 -2.767 17.907 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -5.247 -4.464 17.888 1.00 0.00 H new ATOM 1594 N THR A 107 -9.311 0.015 11.678 1.00 0.00 N ATOM 1595 CA THR A 107 -10.464 0.831 11.320 1.00 0.00 C ATOM 1596 C THR A 107 -11.265 1.223 12.557 1.00 0.00 C ATOM 1597 O THR A 107 -11.128 0.612 13.617 1.00 0.00 O ATOM 1598 CB THR A 107 -11.389 0.095 10.334 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.745 -1.188 10.861 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.713 -0.076 8.982 1.00 0.00 C ATOM 0 H THR A 107 -9.428 -0.982 11.496 1.00 0.00 H new ATOM 0 HA THR A 107 -10.078 1.731 10.840 1.00 0.00 H new ATOM 0 HB THR A 107 -12.289 0.694 10.199 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.373 -1.629 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.386 -0.599 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.470 0.904 8.570 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.798 -0.656 9.103 1.00 0.00 H new ATOM 1608 N LEU A 108 -12.102 2.244 12.414 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.928 2.717 13.520 1.00 0.00 C ATOM 1610 C LEU A 108 -13.956 1.665 13.921 1.00 0.00 C ATOM 1611 O LEU A 108 -14.560 1.016 13.067 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.635 4.017 13.134 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.746 5.121 12.559 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.593 6.268 12.032 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.766 5.619 13.611 1.00 0.00 C ATOM 0 H LEU A 108 -12.227 2.761 11.543 1.00 0.00 H new ATOM 0 HA LEU A 108 -12.276 2.904 14.373 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.408 3.783 12.402 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -14.140 4.408 14.017 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.176 4.706 11.728 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.943 7.044 11.627 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.254 5.901 11.246 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -14.190 6.682 12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.142 6.404 13.184 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -12.318 6.017 14.463 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.136 4.793 13.941 1.00 0.00 H new ATOM 1627 N SER A 109 -14.152 1.503 15.226 1.00 0.00 N ATOM 1628 CA SER A 109 -15.106 0.528 15.740 1.00 0.00 C ATOM 1629 C SER A 109 -16.509 1.124 15.807 1.00 0.00 C ATOM 1630 O SER A 109 -16.720 2.176 16.412 1.00 0.00 O ATOM 1631 CB SER A 109 -14.678 0.046 17.127 1.00 0.00 C ATOM 1632 OG SER A 109 -14.748 1.096 18.076 1.00 0.00 O ATOM 0 H SER A 109 -13.663 2.034 15.946 1.00 0.00 H new ATOM 0 HA SER A 109 -15.123 -0.322 15.057 1.00 0.00 H new ATOM 0 HB2 SER A 109 -15.319 -0.777 17.443 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.660 -0.341 17.083 1.00 0.00 H new ATOM 0 HG SER A 109 -15.385 1.774 17.767 1.00 0.00 H new