USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 581 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 62 THR OG1 : rot -158:sc= 1.58 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 41 GLN :FLIP amide:sc= -1.23 F(o=-6.8!,f=-2.5) USER MOD Set 2.2: A 46 ASN : amide:sc= -1.27 K(o=-2.5,f=-3.4) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.13) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.0172 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -150:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -99:sc= 0.202 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 113:sc= 0.593 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -175:sc= 0.612 (180deg=0.536) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.108) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 67:sc= 0.0708 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.347 5.239 2.194 1.00 0.00 N ATOM 200 CA LEU A 18 139.679 4.652 2.295 1.00 0.00 C ATOM 201 C LEU A 18 140.695 5.688 2.766 1.00 0.00 C ATOM 202 O LEU A 18 141.140 6.534 1.990 1.00 0.00 O ATOM 203 CB LEU A 18 140.110 4.076 0.944 1.00 0.00 C ATOM 204 CG LEU A 18 139.159 3.035 0.352 1.00 0.00 C ATOM 205 CD1 LEU A 18 139.352 2.932 -1.153 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.374 1.682 1.014 1.00 0.00 C ATOM 0 HA LEU A 18 139.639 3.847 3.029 1.00 0.00 H new ATOM 0 HB2 LEU A 18 140.215 4.896 0.233 1.00 0.00 H new ATOM 0 HB3 LEU A 18 141.095 3.624 1.057 1.00 0.00 H new ATOM 0 HG LEU A 18 138.134 3.353 0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.667 2.187 -1.557 1.00 0.00 H new ATOM 0 HD12 LEU A 18 139.149 3.899 -1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 18 140.379 2.636 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 18 138.689 0.952 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.401 1.357 0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.185 1.766 2.084 1.00 0.00 H new ATOM 218 N GLU A 19 141.056 5.617 4.043 1.00 0.00 N ATOM 219 CA GLU A 19 142.020 6.550 4.617 1.00 0.00 C ATOM 220 C GLU A 19 143.024 5.818 5.502 1.00 0.00 C ATOM 221 O GLU A 19 142.907 4.614 5.728 1.00 0.00 O ATOM 222 CB GLU A 19 141.298 7.627 5.429 1.00 0.00 C ATOM 223 CG GLU A 19 140.306 7.067 6.435 1.00 0.00 C ATOM 224 CD GLU A 19 139.750 8.132 7.360 1.00 0.00 C ATOM 225 OE1 GLU A 19 139.254 9.159 6.851 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.812 7.939 8.592 1.00 0.00 O ATOM 0 H GLU A 19 140.696 4.924 4.700 1.00 0.00 H new ATOM 0 HA GLU A 19 142.561 7.024 3.798 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.037 8.229 5.957 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.773 8.294 4.746 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.484 6.589 5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.794 6.294 7.029 1.00 0.00 H new ATOM 233 N VAL A 20 144.012 6.554 6.001 1.00 0.00 N ATOM 234 CA VAL A 20 145.037 5.976 6.861 1.00 0.00 C ATOM 235 C VAL A 20 144.422 5.372 8.118 1.00 0.00 C ATOM 236 O VAL A 20 143.522 5.956 8.724 1.00 0.00 O ATOM 237 CB VAL A 20 146.085 7.028 7.270 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.242 6.371 8.007 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.583 7.788 6.051 1.00 0.00 C ATOM 0 H VAL A 20 144.124 7.552 5.824 1.00 0.00 H new ATOM 0 HA VAL A 20 145.527 5.190 6.286 1.00 0.00 H new ATOM 0 HB VAL A 20 145.612 7.741 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.972 7.130 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.868 5.877 8.904 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.716 5.634 7.358 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.323 8.527 6.360 1.00 0.00 H new ATOM 0 HG22 VAL A 20 147.039 7.090 5.348 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.745 8.293 5.570 1.00 0.00 H new ATOM 249 N GLY A 21 144.912 4.199 8.507 1.00 0.00 N ATOM 250 CA GLY A 21 144.398 3.536 9.691 1.00 0.00 C ATOM 251 C GLY A 21 143.343 2.498 9.363 1.00 0.00 C ATOM 252 O GLY A 21 143.183 1.516 10.089 1.00 0.00 O ATOM 0 H GLY A 21 145.656 3.696 8.023 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.221 3.058 10.222 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.974 4.280 10.365 1.00 0.00 H new ATOM 256 N SER A 22 142.624 2.712 8.267 1.00 0.00 N ATOM 257 CA SER A 22 141.580 1.786 7.844 1.00 0.00 C ATOM 258 C SER A 22 142.140 0.728 6.899 1.00 0.00 C ATOM 259 O SER A 22 143.122 0.967 6.197 1.00 0.00 O ATOM 260 CB SER A 22 140.442 2.546 7.160 1.00 0.00 C ATOM 261 OG SER A 22 139.581 3.144 8.115 1.00 0.00 O ATOM 0 H SER A 22 142.745 3.519 7.655 1.00 0.00 H new ATOM 0 HA SER A 22 141.192 1.285 8.731 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.855 3.314 6.507 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.872 1.864 6.529 1.00 0.00 H new ATOM 0 HG SER A 22 138.863 3.625 7.652 1.00 0.00 H new ATOM 267 N LEU A 23 141.508 -0.441 6.887 1.00 0.00 N ATOM 268 CA LEU A 23 141.944 -1.537 6.028 1.00 0.00 C ATOM 269 C LEU A 23 141.337 -1.410 4.634 1.00 0.00 C ATOM 270 O LEU A 23 140.240 -0.875 4.471 1.00 0.00 O ATOM 271 CB LEU A 23 141.557 -2.882 6.645 1.00 0.00 C ATOM 272 CG LEU A 23 142.098 -3.128 8.055 1.00 0.00 C ATOM 273 CD1 LEU A 23 141.202 -4.096 8.810 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.524 -3.655 7.992 1.00 0.00 C ATOM 0 H LEU A 23 140.693 -0.654 7.462 1.00 0.00 H new ATOM 0 HA LEU A 23 143.029 -1.486 5.938 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.470 -2.952 6.672 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.912 -3.679 5.992 1.00 0.00 H new ATOM 0 HG LEU A 23 142.105 -2.180 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.603 -4.258 9.810 1.00 0.00 H new ATOM 0 HD12 LEU A 23 140.198 -3.679 8.885 1.00 0.00 H new ATOM 0 HD13 LEU A 23 141.162 -5.046 8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.894 -3.825 9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.541 -4.593 7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 23 144.160 -2.925 7.491 1.00 0.00 H new ATOM 286 N ALA A 24 142.058 -1.903 3.633 1.00 0.00 N ATOM 287 CA ALA A 24 141.590 -1.844 2.253 1.00 0.00 C ATOM 288 C ALA A 24 142.214 -2.954 1.413 1.00 0.00 C ATOM 289 O ALA A 24 143.288 -3.460 1.736 1.00 0.00 O ATOM 290 CB ALA A 24 141.899 -0.484 1.649 1.00 0.00 C ATOM 0 H ALA A 24 142.968 -2.348 3.751 1.00 0.00 H new ATOM 0 HA ALA A 24 140.510 -1.991 2.255 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.544 -0.454 0.619 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.399 0.293 2.227 1.00 0.00 H new ATOM 0 HB3 ALA A 24 142.976 -0.314 1.667 1.00 0.00 H new ATOM 296 N GLU A 25 141.533 -3.324 0.334 1.00 0.00 N ATOM 297 CA GLU A 25 142.020 -4.373 -0.555 1.00 0.00 C ATOM 298 C GLU A 25 142.225 -3.836 -1.968 1.00 0.00 C ATOM 299 O GLU A 25 141.550 -2.897 -2.389 1.00 0.00 O ATOM 300 CB GLU A 25 141.038 -5.547 -0.579 1.00 0.00 C ATOM 301 CG GLU A 25 141.646 -6.840 -1.098 1.00 0.00 C ATOM 302 CD GLU A 25 140.882 -7.413 -2.275 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.595 -6.654 -3.225 1.00 0.00 O ATOM 304 OE2 GLU A 25 140.571 -8.623 -2.249 1.00 0.00 O ATOM 0 H GLU A 25 140.642 -2.913 0.054 1.00 0.00 H new ATOM 0 HA GLU A 25 142.981 -4.721 -0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.659 -5.713 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 25 140.183 -5.282 -1.201 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.679 -6.658 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.670 -7.575 -0.293 1.00 0.00 H new ATOM 311 N VAL A 26 143.161 -4.437 -2.696 1.00 0.00 N ATOM 312 CA VAL A 26 143.455 -4.018 -4.061 1.00 0.00 C ATOM 313 C VAL A 26 143.055 -5.093 -5.066 1.00 0.00 C ATOM 314 O VAL A 26 142.914 -6.264 -4.713 1.00 0.00 O ATOM 315 CB VAL A 26 144.950 -3.695 -4.240 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.204 -3.060 -5.599 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.438 -2.787 -3.121 1.00 0.00 C ATOM 0 H VAL A 26 143.729 -5.216 -2.363 1.00 0.00 H new ATOM 0 HA VAL A 26 142.871 -3.116 -4.247 1.00 0.00 H new ATOM 0 HB VAL A 26 145.511 -4.629 -4.192 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.266 -2.840 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 26 144.896 -3.749 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.632 -2.136 -5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.496 -2.570 -3.264 1.00 0.00 H new ATOM 0 HG22 VAL A 26 144.871 -1.856 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.296 -3.284 -2.161 1.00 0.00 H new ATOM 327 N LYS A 27 142.875 -4.688 -6.319 1.00 0.00 N ATOM 328 CA LYS A 27 142.493 -5.618 -7.375 1.00 0.00 C ATOM 329 C LYS A 27 143.724 -6.147 -8.106 1.00 0.00 C ATOM 330 O LYS A 27 143.759 -6.193 -9.335 1.00 0.00 O ATOM 331 CB LYS A 27 141.548 -4.934 -8.368 1.00 0.00 C ATOM 332 CG LYS A 27 140.844 -5.904 -9.303 1.00 0.00 C ATOM 333 CD LYS A 27 139.434 -6.212 -8.828 1.00 0.00 C ATOM 334 CE LYS A 27 138.434 -5.194 -9.354 1.00 0.00 C ATOM 335 NZ LYS A 27 138.010 -5.500 -10.748 1.00 0.00 N ATOM 0 H LYS A 27 142.988 -3.722 -6.628 1.00 0.00 H new ATOM 0 HA LYS A 27 141.977 -6.461 -6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 27 140.799 -4.368 -7.814 1.00 0.00 H new ATOM 0 HB3 LYS A 27 142.115 -4.217 -8.961 1.00 0.00 H new ATOM 0 HG2 LYS A 27 140.806 -5.481 -10.307 1.00 0.00 H new ATOM 0 HG3 LYS A 27 141.417 -6.829 -9.368 1.00 0.00 H new ATOM 0 HD2 LYS A 27 139.147 -7.210 -9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.409 -6.218 -7.738 1.00 0.00 H new ATOM 0 HE2 LYS A 27 137.559 -5.176 -8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.877 -4.199 -9.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 137.329 -4.783 -11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 138.841 -5.492 -11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 137.564 -6.439 -10.777 1.00 0.00 H new ATOM 349 N GLU A 28 144.732 -6.549 -7.338 1.00 0.00 N ATOM 350 CA GLU A 28 145.966 -7.077 -7.909 1.00 0.00 C ATOM 351 C GLU A 28 145.851 -8.577 -8.152 1.00 0.00 C ATOM 352 O GLU A 28 144.929 -9.227 -7.660 1.00 0.00 O ATOM 353 CB GLU A 28 147.146 -6.785 -6.980 1.00 0.00 C ATOM 354 CG GLU A 28 148.392 -6.309 -7.709 1.00 0.00 C ATOM 355 CD GLU A 28 148.913 -4.989 -7.176 1.00 0.00 C ATOM 356 OE1 GLU A 28 149.615 -5.001 -6.142 1.00 0.00 O ATOM 357 OE2 GLU A 28 148.619 -3.941 -7.790 1.00 0.00 O ATOM 0 H GLU A 28 144.718 -6.519 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 28 146.137 -6.585 -8.866 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.848 -6.028 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.387 -7.687 -6.418 1.00 0.00 H new ATOM 0 HG2 GLU A 28 149.172 -7.065 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 28 148.169 -6.205 -8.771 1.00 0.00 H new ATOM 364 N ASN A 29 146.795 -9.126 -8.913 1.00 0.00 N ATOM 365 CA ASN A 29 146.794 -10.553 -9.214 1.00 0.00 C ATOM 366 C ASN A 29 146.979 -11.378 -7.941 1.00 0.00 C ATOM 367 O ASN A 29 146.210 -12.304 -7.681 1.00 0.00 O ATOM 368 CB ASN A 29 147.889 -10.896 -10.230 1.00 0.00 C ATOM 369 CG ASN A 29 148.012 -9.859 -11.329 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.215 -9.835 -12.268 1.00 0.00 O ATOM 371 ND2 ASN A 29 149.014 -8.995 -11.218 1.00 0.00 N ATOM 0 H ASN A 29 147.567 -8.606 -9.330 1.00 0.00 H new ATOM 0 HA ASN A 29 145.826 -10.802 -9.650 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.844 -10.986 -9.712 1.00 0.00 H new ATOM 0 HB3 ASN A 29 147.675 -11.868 -10.675 1.00 0.00 H new ATOM 0 HD21 ASN A 29 149.147 -8.275 -11.928 1.00 0.00 H new ATOM 0 HD22 ASN A 29 149.651 -9.052 -10.423 1.00 0.00 H new ATOM 378 N PRO A 30 147.999 -11.054 -7.121 1.00 0.00 N ATOM 379 CA PRO A 30 148.264 -11.772 -5.876 1.00 0.00 C ATOM 380 C PRO A 30 147.376 -11.290 -4.730 1.00 0.00 C ATOM 381 O PRO A 30 147.517 -10.160 -4.262 1.00 0.00 O ATOM 382 CB PRO A 30 149.724 -11.428 -5.596 1.00 0.00 C ATOM 383 CG PRO A 30 149.894 -10.057 -6.150 1.00 0.00 C ATOM 384 CD PRO A 30 148.972 -9.962 -7.340 1.00 0.00 C ATOM 0 HA PRO A 30 148.063 -12.840 -5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.941 -11.455 -4.528 1.00 0.00 H new ATOM 0 HB3 PRO A 30 150.398 -12.137 -6.076 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.644 -9.303 -5.404 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.929 -9.883 -6.445 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.479 -8.991 -7.388 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.514 -10.091 -8.277 1.00 0.00 H new ATOM 392 N PRO A 31 146.441 -12.138 -4.263 1.00 0.00 N ATOM 393 CA PRO A 31 145.531 -11.780 -3.169 1.00 0.00 C ATOM 394 C PRO A 31 146.277 -11.450 -1.880 1.00 0.00 C ATOM 395 O PRO A 31 146.937 -12.308 -1.296 1.00 0.00 O ATOM 396 CB PRO A 31 144.671 -13.035 -2.980 1.00 0.00 C ATOM 397 CG PRO A 31 144.811 -13.798 -4.253 1.00 0.00 C ATOM 398 CD PRO A 31 146.194 -13.502 -4.758 1.00 0.00 C ATOM 0 HA PRO A 31 144.952 -10.887 -3.404 1.00 0.00 H new ATOM 0 HB2 PRO A 31 145.014 -13.623 -2.128 1.00 0.00 H new ATOM 0 HB3 PRO A 31 143.630 -12.774 -2.789 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.676 -14.867 -4.085 1.00 0.00 H new ATOM 0 HG3 PRO A 31 144.056 -13.492 -4.977 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.926 -14.211 -4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 31 146.246 -13.553 -5.846 1.00 0.00 H new ATOM 406 N PHE A 32 146.164 -10.200 -1.441 1.00 0.00 N ATOM 407 CA PHE A 32 146.827 -9.757 -0.220 1.00 0.00 C ATOM 408 C PHE A 32 145.940 -8.790 0.557 1.00 0.00 C ATOM 409 O PHE A 32 145.040 -8.167 -0.007 1.00 0.00 O ATOM 410 CB PHE A 32 148.163 -9.089 -0.551 1.00 0.00 C ATOM 411 CG PHE A 32 148.042 -7.950 -1.523 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.426 -6.766 -1.152 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.547 -8.063 -2.809 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.315 -5.716 -2.044 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.439 -7.017 -3.705 1.00 0.00 C ATOM 416 CZ PHE A 32 147.821 -5.842 -3.322 1.00 0.00 C ATOM 0 H PHE A 32 145.620 -9.477 -1.912 1.00 0.00 H new ATOM 0 HA PHE A 32 147.013 -10.633 0.401 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.614 -8.722 0.371 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.841 -9.836 -0.963 1.00 0.00 H new ATOM 0 HD1 PHE A 32 147.028 -6.662 -0.154 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.030 -8.979 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.833 -4.798 -1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 32 148.837 -7.118 -4.704 1.00 0.00 H new ATOM 0 HZ PHE A 32 147.734 -5.024 -4.021 1.00 0.00 H new ATOM 426 N TYR A 33 146.199 -8.668 1.855 1.00 0.00 N ATOM 427 CA TYR A 33 145.424 -7.777 2.709 1.00 0.00 C ATOM 428 C TYR A 33 146.339 -6.867 3.521 1.00 0.00 C ATOM 429 O TYR A 33 147.200 -7.339 4.265 1.00 0.00 O ATOM 430 CB TYR A 33 144.528 -8.588 3.648 1.00 0.00 C ATOM 431 CG TYR A 33 143.314 -9.178 2.966 1.00 0.00 C ATOM 432 CD1 TYR A 33 142.348 -8.360 2.394 1.00 0.00 C ATOM 433 CD2 TYR A 33 143.134 -10.554 2.895 1.00 0.00 C ATOM 434 CE1 TYR A 33 141.237 -8.896 1.771 1.00 0.00 C ATOM 435 CE2 TYR A 33 142.027 -11.098 2.272 1.00 0.00 C ATOM 436 CZ TYR A 33 141.081 -10.264 1.712 1.00 0.00 C ATOM 437 OH TYR A 33 139.977 -10.802 1.092 1.00 0.00 O ATOM 0 H TYR A 33 146.940 -9.176 2.338 1.00 0.00 H new ATOM 0 HA TYR A 33 144.799 -7.154 2.069 1.00 0.00 H new ATOM 0 HB2 TYR A 33 145.114 -9.394 4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.199 -7.947 4.466 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.467 -7.287 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 33 143.872 -11.209 3.334 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.494 -8.246 1.332 1.00 0.00 H new ATOM 0 HE2 TYR A 33 141.903 -12.170 2.224 1.00 0.00 H new ATOM 0 HH TYR A 33 140.020 -11.780 1.137 1.00 0.00 H new ATOM 447 N GLY A 34 146.148 -5.560 3.375 1.00 0.00 N ATOM 448 CA GLY A 34 146.963 -4.604 4.101 1.00 0.00 C ATOM 449 C GLY A 34 146.180 -3.374 4.517 1.00 0.00 C ATOM 450 O GLY A 34 145.129 -3.077 3.950 1.00 0.00 O ATOM 0 H GLY A 34 145.442 -5.146 2.766 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.378 -5.084 4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.805 -4.302 3.478 1.00 0.00 H new ATOM 454 N VAL A 35 146.694 -2.658 5.512 1.00 0.00 N ATOM 455 CA VAL A 35 146.036 -1.453 6.005 1.00 0.00 C ATOM 456 C VAL A 35 146.677 -0.199 5.420 1.00 0.00 C ATOM 457 O VAL A 35 147.885 -0.161 5.182 1.00 0.00 O ATOM 458 CB VAL A 35 146.084 -1.378 7.544 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.523 -1.325 8.035 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.296 -0.177 8.047 1.00 0.00 C ATOM 0 H VAL A 35 147.563 -2.891 5.992 1.00 0.00 H new ATOM 0 HA VAL A 35 144.995 -1.505 5.686 1.00 0.00 H new ATOM 0 HB VAL A 35 145.622 -2.280 7.946 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.534 -1.272 9.124 1.00 0.00 H new ATOM 0 HG12 VAL A 35 148.052 -2.221 7.710 1.00 0.00 H new ATOM 0 HG13 VAL A 35 148.015 -0.444 7.624 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.342 -0.142 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.724 0.737 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 35 144.257 -0.265 7.730 1.00 0.00 H new ATOM 470 N ILE A 36 145.862 0.825 5.193 1.00 0.00 N ATOM 471 CA ILE A 36 146.350 2.082 4.638 1.00 0.00 C ATOM 472 C ILE A 36 147.313 2.767 5.602 1.00 0.00 C ATOM 473 O ILE A 36 147.068 2.821 6.807 1.00 0.00 O ATOM 474 CB ILE A 36 145.190 3.044 4.313 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.139 2.340 3.452 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.713 4.288 3.611 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.949 3.213 3.118 1.00 0.00 C ATOM 0 H ILE A 36 144.860 0.809 5.385 1.00 0.00 H new ATOM 0 HA ILE A 36 146.875 1.839 3.714 1.00 0.00 H new ATOM 0 HB ILE A 36 144.720 3.350 5.247 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.605 2.005 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.791 1.449 3.974 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.882 4.957 3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.426 4.798 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.207 4.001 2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.245 2.650 2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.458 3.527 4.039 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.285 4.092 2.568 1.00 0.00 H new ATOM 489 N ARG A 37 148.411 3.289 5.063 1.00 0.00 N ATOM 490 CA ARG A 37 149.412 3.968 5.877 1.00 0.00 C ATOM 491 C ARG A 37 149.575 5.422 5.441 1.00 0.00 C ATOM 492 O ARG A 37 149.318 6.343 6.216 1.00 0.00 O ATOM 493 CB ARG A 37 150.755 3.242 5.782 1.00 0.00 C ATOM 494 CG ARG A 37 150.663 1.754 6.073 1.00 0.00 C ATOM 495 CD ARG A 37 150.046 1.488 7.437 1.00 0.00 C ATOM 496 NE ARG A 37 150.848 2.053 8.519 1.00 0.00 N ATOM 497 CZ ARG A 37 150.641 1.792 9.808 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.661 0.977 10.179 1.00 0.00 N ATOM 499 NH2 ARG A 37 151.417 2.348 10.729 1.00 0.00 N ATOM 0 H ARG A 37 148.629 3.254 4.067 1.00 0.00 H new ATOM 0 HA ARG A 37 149.071 3.954 6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.165 3.384 4.782 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.456 3.698 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 37 150.066 1.268 5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.659 1.312 6.031 1.00 0.00 H new ATOM 0 HD2 ARG A 37 149.042 1.912 7.470 1.00 0.00 H new ATOM 0 HD3 ARG A 37 149.943 0.413 7.585 1.00 0.00 H new ATOM 0 HE ARG A 37 151.611 2.684 8.273 1.00 0.00 H new ATOM 0 HH11 ARG A 37 149.061 0.547 9.475 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.508 0.781 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 37 152.171 2.975 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 37 151.259 2.149 11.717 1.00 0.00 H new ATOM 513 N TRP A 38 150.001 5.619 4.198 1.00 0.00 N ATOM 514 CA TRP A 38 150.198 6.962 3.664 1.00 0.00 C ATOM 515 C TRP A 38 149.459 7.137 2.339 1.00 0.00 C ATOM 516 O TRP A 38 149.536 6.285 1.455 1.00 0.00 O ATOM 517 CB TRP A 38 151.692 7.247 3.473 1.00 0.00 C ATOM 518 CG TRP A 38 151.968 8.508 2.707 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.160 9.758 3.223 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.077 8.639 1.285 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.382 10.658 2.208 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.337 9.996 1.009 1.00 0.00 C ATOM 523 CE3 TRP A 38 151.983 7.742 0.218 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.501 10.473 -0.289 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.148 8.217 -1.070 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.403 9.572 -1.315 1.00 0.00 C ATOM 0 H TRP A 38 150.216 4.868 3.543 1.00 0.00 H new ATOM 0 HA TRP A 38 149.790 7.673 4.382 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.169 7.314 4.451 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.150 6.407 2.951 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.140 10.003 4.275 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.553 11.656 2.328 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.785 6.695 0.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 152.699 11.518 -0.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.079 7.531 -1.901 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.525 9.913 -2.333 1.00 0.00 H new ATOM 537 N ILE A 39 148.753 8.255 2.210 1.00 0.00 N ATOM 538 CA ILE A 39 148.007 8.556 0.995 1.00 0.00 C ATOM 539 C ILE A 39 148.396 9.927 0.453 1.00 0.00 C ATOM 540 O ILE A 39 148.014 10.955 1.011 1.00 0.00 O ATOM 541 CB ILE A 39 146.487 8.525 1.243 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.096 7.246 1.986 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.733 8.631 -0.074 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.679 7.267 2.520 1.00 0.00 C ATOM 0 H ILE A 39 148.682 8.969 2.935 1.00 0.00 H new ATOM 0 HA ILE A 39 148.258 7.787 0.264 1.00 0.00 H new ATOM 0 HB ILE A 39 146.217 9.380 1.863 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.210 6.395 1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.786 7.092 2.815 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.660 8.608 0.118 1.00 0.00 H new ATOM 0 HG22 ILE A 39 145.993 9.567 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.005 7.794 -0.717 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.470 6.329 3.035 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.565 8.097 3.217 1.00 0.00 H new ATOM 0 HD13 ILE A 39 143.980 7.390 1.693 1.00 0.00 H new ATOM 556 N GLY A 40 149.164 9.936 -0.631 1.00 0.00 N ATOM 557 CA GLY A 40 149.595 11.190 -1.219 1.00 0.00 C ATOM 558 C GLY A 40 150.136 11.024 -2.625 1.00 0.00 C ATOM 559 O GLY A 40 149.994 9.963 -3.233 1.00 0.00 O ATOM 0 H GLY A 40 149.495 9.099 -1.112 1.00 0.00 H new ATOM 0 HA2 GLY A 40 148.755 11.885 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.364 11.636 -0.589 1.00 0.00 H new ATOM 563 N GLN A 41 150.756 12.080 -3.140 1.00 0.00 N ATOM 564 CA GLN A 41 151.322 12.057 -4.482 1.00 0.00 C ATOM 565 C GLN A 41 152.790 12.482 -4.457 1.00 0.00 C ATOM 566 O GLN A 41 153.104 13.628 -4.136 1.00 0.00 O ATOM 567 CB GLN A 41 150.525 12.986 -5.399 1.00 0.00 C ATOM 568 CG GLN A 41 149.022 12.773 -5.320 1.00 0.00 C ATOM 569 CD GLN A 41 148.247 14.074 -5.380 1.00 0.00 C ATOM 570 OE1 GLN A 41 147.642 14.349 -6.529 1.00 0.00 O flip ATOM 571 NE2 GLN A 41 148.194 14.824 -4.405 1.00 0.00 N flip ATOM 0 H GLN A 41 150.879 12.964 -2.646 1.00 0.00 H new ATOM 0 HA GLN A 41 151.265 11.038 -4.864 1.00 0.00 H new ATOM 0 HB2 GLN A 41 150.751 14.020 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 41 150.852 12.836 -6.428 1.00 0.00 H new ATOM 0 HG2 GLN A 41 148.706 12.128 -6.140 1.00 0.00 H new ATOM 0 HG3 GLN A 41 148.780 12.252 -4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.675 14.572 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.669 15.697 -4.461 1.00 0.00 H new ATOM 580 N PRO A 42 153.713 11.563 -4.793 1.00 0.00 N ATOM 581 CA PRO A 42 155.152 11.857 -4.801 1.00 0.00 C ATOM 582 C PRO A 42 155.499 13.021 -5.723 1.00 0.00 C ATOM 583 O PRO A 42 154.732 13.362 -6.624 1.00 0.00 O ATOM 584 CB PRO A 42 155.784 10.560 -5.316 1.00 0.00 C ATOM 585 CG PRO A 42 154.773 9.505 -5.034 1.00 0.00 C ATOM 586 CD PRO A 42 153.437 10.171 -5.187 1.00 0.00 C ATOM 0 HA PRO A 42 155.510 12.156 -3.816 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.003 10.623 -6.382 1.00 0.00 H new ATOM 0 HB3 PRO A 42 156.726 10.351 -4.809 1.00 0.00 H new ATOM 0 HG2 PRO A 42 154.875 8.670 -5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 42 154.897 9.103 -4.029 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.069 10.107 -6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.682 9.713 -4.548 1.00 0.00 H new ATOM 594 N PRO A 43 156.668 13.649 -5.510 1.00 0.00 N ATOM 595 CA PRO A 43 157.117 14.780 -6.327 1.00 0.00 C ATOM 596 C PRO A 43 157.535 14.350 -7.728 1.00 0.00 C ATOM 597 O PRO A 43 158.705 14.060 -7.976 1.00 0.00 O ATOM 598 CB PRO A 43 158.320 15.319 -5.555 1.00 0.00 C ATOM 599 CG PRO A 43 158.841 14.148 -4.797 1.00 0.00 C ATOM 600 CD PRO A 43 157.643 13.304 -4.457 1.00 0.00 C ATOM 0 HA PRO A 43 156.326 15.514 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.075 15.721 -6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.030 16.127 -4.884 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.558 13.585 -5.395 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.361 14.468 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 43 157.885 12.241 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.259 13.534 -3.463 1.00 0.00 H new ATOM 608 N GLY A 44 156.571 14.311 -8.641 1.00 0.00 N ATOM 609 CA GLY A 44 156.860 13.916 -10.006 1.00 0.00 C ATOM 610 C GLY A 44 155.636 13.399 -10.732 1.00 0.00 C ATOM 611 O GLY A 44 155.325 13.848 -11.835 1.00 0.00 O ATOM 0 H GLY A 44 155.595 14.546 -8.460 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.267 14.769 -10.549 1.00 0.00 H new ATOM 0 HA3 GLY A 44 157.629 13.144 -10.002 1.00 0.00 H new ATOM 615 N LEU A 45 154.938 12.453 -10.114 1.00 0.00 N ATOM 616 CA LEU A 45 153.739 11.876 -10.710 1.00 0.00 C ATOM 617 C LEU A 45 152.532 12.079 -9.803 1.00 0.00 C ATOM 618 O LEU A 45 152.455 11.497 -8.721 1.00 0.00 O ATOM 619 CB LEU A 45 153.945 10.384 -10.980 1.00 0.00 C ATOM 620 CG LEU A 45 154.507 9.584 -9.802 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.156 8.109 -9.940 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.015 9.772 -9.700 1.00 0.00 C ATOM 0 H LEU A 45 155.182 12.069 -9.201 1.00 0.00 H new ATOM 0 HA LEU A 45 153.551 12.385 -11.655 1.00 0.00 H new ATOM 0 HB2 LEU A 45 152.990 9.948 -11.273 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.619 10.274 -11.829 1.00 0.00 H new ATOM 0 HG LEU A 45 154.053 9.958 -8.884 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.564 7.557 -9.093 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.072 7.993 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.580 7.719 -10.865 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.397 9.196 -8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.488 9.427 -10.620 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.241 10.828 -9.550 1.00 0.00 H new ATOM 634 N ASN A 46 151.592 12.907 -10.245 1.00 0.00 N ATOM 635 CA ASN A 46 150.393 13.174 -9.461 1.00 0.00 C ATOM 636 C ASN A 46 149.458 11.971 -9.487 1.00 0.00 C ATOM 637 O ASN A 46 148.826 11.684 -10.504 1.00 0.00 O ATOM 638 CB ASN A 46 149.672 14.410 -10.001 1.00 0.00 C ATOM 639 CG ASN A 46 148.921 15.162 -8.920 1.00 0.00 C ATOM 640 OD1 ASN A 46 147.695 15.271 -8.962 1.00 0.00 O ATOM 641 ND2 ASN A 46 149.655 15.686 -7.946 1.00 0.00 N ATOM 0 H ASN A 46 151.636 13.402 -11.136 1.00 0.00 H new ATOM 0 HA ASN A 46 150.691 13.361 -8.429 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.399 15.077 -10.465 1.00 0.00 H new ATOM 0 HB3 ASN A 46 148.973 14.107 -10.781 1.00 0.00 H new ATOM 0 HD21 ASN A 46 149.206 16.204 -7.191 1.00 0.00 H new ATOM 0 HD22 ASN A 46 150.668 15.570 -7.952 1.00 0.00 H new ATOM 648 N GLU A 47 149.375 11.273 -8.360 1.00 0.00 N ATOM 649 CA GLU A 47 148.517 10.100 -8.245 1.00 0.00 C ATOM 650 C GLU A 47 148.358 9.687 -6.788 1.00 0.00 C ATOM 651 O GLU A 47 149.340 9.386 -6.109 1.00 0.00 O ATOM 652 CB GLU A 47 149.090 8.936 -9.059 1.00 0.00 C ATOM 653 CG GLU A 47 150.606 8.836 -9.007 1.00 0.00 C ATOM 654 CD GLU A 47 151.170 7.964 -10.111 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.265 8.447 -11.259 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.518 6.798 -9.829 1.00 0.00 O ATOM 0 H GLU A 47 149.893 11.500 -7.511 1.00 0.00 H new ATOM 0 HA GLU A 47 147.535 10.359 -8.641 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.661 8.003 -8.692 1.00 0.00 H new ATOM 0 HB3 GLU A 47 148.778 9.044 -10.098 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.035 9.835 -9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 47 150.907 8.432 -8.040 1.00 0.00 H new ATOM 663 N VAL A 48 147.119 9.669 -6.309 1.00 0.00 N ATOM 664 CA VAL A 48 146.847 9.284 -4.931 1.00 0.00 C ATOM 665 C VAL A 48 147.245 7.832 -4.688 1.00 0.00 C ATOM 666 O VAL A 48 146.514 6.909 -5.044 1.00 0.00 O ATOM 667 CB VAL A 48 145.358 9.463 -4.578 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.132 9.251 -3.089 1.00 0.00 C ATOM 669 CG2 VAL A 48 144.870 10.838 -5.008 1.00 0.00 C ATOM 0 H VAL A 48 146.292 9.915 -6.852 1.00 0.00 H new ATOM 0 HA VAL A 48 147.441 9.938 -4.293 1.00 0.00 H new ATOM 0 HB VAL A 48 144.782 8.712 -5.119 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.075 9.382 -2.859 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.441 8.243 -2.814 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.718 9.977 -2.525 1.00 0.00 H new ATOM 0 HG21 VAL A 48 143.816 10.947 -4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.450 11.606 -4.496 1.00 0.00 H new ATOM 0 HG23 VAL A 48 144.994 10.947 -6.085 1.00 0.00 H new ATOM 679 N LEU A 49 148.412 7.639 -4.082 1.00 0.00 N ATOM 680 CA LEU A 49 148.909 6.298 -3.795 1.00 0.00 C ATOM 681 C LEU A 49 148.806 5.992 -2.307 1.00 0.00 C ATOM 682 O LEU A 49 149.482 6.612 -1.487 1.00 0.00 O ATOM 683 CB LEU A 49 150.361 6.161 -4.258 1.00 0.00 C ATOM 684 CG LEU A 49 150.589 6.388 -5.753 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.051 6.701 -6.028 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.143 5.171 -6.550 1.00 0.00 C ATOM 0 H LEU A 49 149.030 8.392 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 49 148.293 5.582 -4.339 1.00 0.00 H new ATOM 0 HB2 LEU A 49 150.972 6.871 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.716 5.163 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 49 149.991 7.243 -6.067 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.194 6.860 -7.097 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.338 7.602 -5.486 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.670 5.866 -5.699 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.312 5.349 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.715 4.299 -6.233 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.082 4.992 -6.377 1.00 0.00 H new ATOM 698 N ALA A 50 147.955 5.032 -1.965 1.00 0.00 N ATOM 699 CA ALA A 50 147.766 4.646 -0.575 1.00 0.00 C ATOM 700 C ALA A 50 148.688 3.492 -0.197 1.00 0.00 C ATOM 701 O ALA A 50 148.560 2.385 -0.721 1.00 0.00 O ATOM 702 CB ALA A 50 146.314 4.271 -0.323 1.00 0.00 C ATOM 0 H ALA A 50 147.387 4.508 -2.631 1.00 0.00 H new ATOM 0 HA ALA A 50 148.021 5.500 0.052 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.188 3.984 0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.674 5.125 -0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.038 3.434 -0.965 1.00 0.00 H new ATOM 708 N GLY A 51 149.617 3.758 0.715 1.00 0.00 N ATOM 709 CA GLY A 51 150.547 2.730 1.147 1.00 0.00 C ATOM 710 C GLY A 51 149.894 1.695 2.041 1.00 0.00 C ATOM 711 O GLY A 51 149.642 1.952 3.217 1.00 0.00 O ATOM 0 H GLY A 51 149.743 4.666 1.163 1.00 0.00 H new ATOM 0 HA2 GLY A 51 150.969 2.235 0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.376 3.195 1.681 1.00 0.00 H new ATOM 715 N LEU A 52 149.620 0.522 1.481 1.00 0.00 N ATOM 716 CA LEU A 52 148.992 -0.557 2.237 1.00 0.00 C ATOM 717 C LEU A 52 150.042 -1.428 2.917 1.00 0.00 C ATOM 718 O LEU A 52 151.004 -1.867 2.284 1.00 0.00 O ATOM 719 CB LEU A 52 148.119 -1.412 1.316 1.00 0.00 C ATOM 720 CG LEU A 52 146.962 -0.670 0.645 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.299 -1.550 -0.403 1.00 0.00 C ATOM 722 CD2 LEU A 52 145.948 -0.218 1.685 1.00 0.00 C ATOM 0 H LEU A 52 149.822 0.294 0.508 1.00 0.00 H new ATOM 0 HA LEU A 52 148.364 -0.110 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.751 -1.844 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 52 147.712 -2.241 1.894 1.00 0.00 H new ATOM 0 HG LEU A 52 147.361 0.213 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.478 -1.005 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.030 -1.825 -1.163 1.00 0.00 H new ATOM 0 HD13 LEU A 52 145.912 -2.452 0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.131 0.308 1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.554 -1.088 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.431 0.450 2.398 1.00 0.00 H new ATOM 734 N GLU A 53 149.852 -1.676 4.208 1.00 0.00 N ATOM 735 CA GLU A 53 150.784 -2.496 4.974 1.00 0.00 C ATOM 736 C GLU A 53 150.285 -3.933 5.078 1.00 0.00 C ATOM 737 O GLU A 53 149.303 -4.212 5.765 1.00 0.00 O ATOM 738 CB GLU A 53 150.979 -1.910 6.374 1.00 0.00 C ATOM 739 CG GLU A 53 151.968 -2.688 7.226 1.00 0.00 C ATOM 740 CD GLU A 53 151.516 -2.822 8.667 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.666 -2.016 9.100 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.011 -3.734 9.363 1.00 0.00 O ATOM 0 H GLU A 53 149.061 -1.321 4.746 1.00 0.00 H new ATOM 0 HA GLU A 53 151.741 -2.499 4.452 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.322 -0.880 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.016 -1.881 6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.108 -3.681 6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 53 152.937 -2.190 7.198 1.00 0.00 H new ATOM 749 N LEU A 54 150.969 -4.842 4.392 1.00 0.00 N ATOM 750 CA LEU A 54 150.595 -6.252 4.406 1.00 0.00 C ATOM 751 C LEU A 54 150.871 -6.873 5.772 1.00 0.00 C ATOM 752 O LEU A 54 151.878 -6.569 6.412 1.00 0.00 O ATOM 753 CB LEU A 54 151.358 -7.014 3.322 1.00 0.00 C ATOM 754 CG LEU A 54 151.330 -6.371 1.935 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.538 -6.804 1.120 1.00 0.00 C ATOM 756 CD2 LEU A 54 150.040 -6.724 1.210 1.00 0.00 C ATOM 0 H LEU A 54 151.785 -4.628 3.819 1.00 0.00 H new ATOM 0 HA LEU A 54 149.526 -6.322 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.397 -7.119 3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.945 -8.020 3.247 1.00 0.00 H new ATOM 0 HG LEU A 54 151.370 -5.289 2.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.500 -6.336 0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.451 -6.499 1.632 1.00 0.00 H new ATOM 0 HD13 LEU A 54 152.531 -7.888 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 54 150.037 -6.258 0.225 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.969 -7.806 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.188 -6.361 1.785 1.00 0.00 H new ATOM 768 N GLU A 55 149.969 -7.744 6.213 1.00 0.00 N ATOM 769 CA GLU A 55 150.115 -8.408 7.502 1.00 0.00 C ATOM 770 C GLU A 55 151.256 -9.421 7.467 1.00 0.00 C ATOM 771 O GLU A 55 151.917 -9.662 8.478 1.00 0.00 O ATOM 772 CB GLU A 55 148.811 -9.106 7.891 1.00 0.00 C ATOM 773 CG GLU A 55 147.605 -8.182 7.893 1.00 0.00 C ATOM 774 CD GLU A 55 147.676 -7.132 8.984 1.00 0.00 C ATOM 775 OE1 GLU A 55 148.644 -6.343 8.985 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.764 -7.098 9.837 1.00 0.00 O ATOM 0 H GLU A 55 149.130 -8.006 5.696 1.00 0.00 H new ATOM 0 HA GLU A 55 150.349 -7.649 8.248 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.628 -9.928 7.199 1.00 0.00 H new ATOM 0 HB3 GLU A 55 148.925 -9.544 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 55 147.528 -7.689 6.924 1.00 0.00 H new ATOM 0 HG3 GLU A 55 146.699 -8.774 8.022 1.00 0.00 H new ATOM 783 N ASP A 56 151.481 -10.011 6.299 1.00 0.00 N ATOM 784 CA ASP A 56 152.542 -10.999 6.133 1.00 0.00 C ATOM 785 C ASP A 56 153.771 -10.371 5.482 1.00 0.00 C ATOM 786 O ASP A 56 153.657 -9.601 4.530 1.00 0.00 O ATOM 787 CB ASP A 56 152.046 -12.173 5.287 1.00 0.00 C ATOM 788 CG ASP A 56 150.859 -12.877 5.915 1.00 0.00 C ATOM 789 OD1 ASP A 56 149.718 -12.411 5.716 1.00 0.00 O ATOM 790 OD2 ASP A 56 151.072 -13.896 6.606 1.00 0.00 O ATOM 0 H ASP A 56 150.944 -9.823 5.453 1.00 0.00 H new ATOM 0 HA ASP A 56 152.823 -11.365 7.121 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.769 -11.812 4.297 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.858 -12.887 5.150 1.00 0.00 H new ATOM 795 N GLU A 57 154.946 -10.710 6.003 1.00 0.00 N ATOM 796 CA GLU A 57 156.197 -10.180 5.472 1.00 0.00 C ATOM 797 C GLU A 57 156.579 -10.884 4.174 1.00 0.00 C ATOM 798 O GLU A 57 157.219 -11.935 4.192 1.00 0.00 O ATOM 799 CB GLU A 57 157.319 -10.339 6.501 1.00 0.00 C ATOM 800 CG GLU A 57 157.144 -9.464 7.732 1.00 0.00 C ATOM 801 CD GLU A 57 158.307 -9.580 8.697 1.00 0.00 C ATOM 802 OE1 GLU A 57 159.419 -9.929 8.250 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.104 -9.322 9.903 1.00 0.00 O ATOM 0 H GLU A 57 155.058 -11.348 6.791 1.00 0.00 H new ATOM 0 HA GLU A 57 156.053 -9.120 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.371 -11.383 6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.271 -10.100 6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.035 -8.425 7.422 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.223 -9.742 8.244 1.00 0.00 H new ATOM 810 N CYS A 58 156.180 -10.298 3.050 1.00 0.00 N ATOM 811 CA CYS A 58 156.480 -10.869 1.743 1.00 0.00 C ATOM 812 C CYS A 58 157.720 -10.220 1.137 1.00 0.00 C ATOM 813 O CYS A 58 157.783 -9.000 0.984 1.00 0.00 O ATOM 814 CB CYS A 58 155.287 -10.694 0.801 1.00 0.00 C ATOM 815 SG CYS A 58 155.023 -12.087 -0.321 1.00 0.00 S ATOM 0 H CYS A 58 155.648 -9.428 3.018 1.00 0.00 H new ATOM 0 HA CYS A 58 156.677 -11.933 1.876 1.00 0.00 H new ATOM 0 HB2 CYS A 58 154.386 -10.545 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 58 155.433 -9.789 0.211 1.00 0.00 H new ATOM 0 HG CYS A 58 153.992 -11.847 -1.075 1.00 0.00 H new ATOM 821 N ALA A 59 158.705 -11.043 0.793 1.00 0.00 N ATOM 822 CA ALA A 59 159.943 -10.550 0.204 1.00 0.00 C ATOM 823 C ALA A 59 159.673 -9.817 -1.106 1.00 0.00 C ATOM 824 O ALA A 59 159.065 -10.366 -2.023 1.00 0.00 O ATOM 825 CB ALA A 59 160.914 -11.699 -0.023 1.00 0.00 C ATOM 0 H ALA A 59 158.669 -12.055 0.912 1.00 0.00 H new ATOM 0 HA ALA A 59 160.392 -9.842 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.834 -11.316 -0.463 1.00 0.00 H new ATOM 0 HB2 ALA A 59 161.140 -12.178 0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.464 -12.427 -0.698 1.00 0.00 H new ATOM 831 N GLY A 60 160.131 -8.571 -1.185 1.00 0.00 N ATOM 832 CA GLY A 60 159.930 -7.782 -2.386 1.00 0.00 C ATOM 833 C GLY A 60 159.482 -6.366 -2.081 1.00 0.00 C ATOM 834 O GLY A 60 159.770 -5.441 -2.841 1.00 0.00 O ATOM 0 H GLY A 60 160.637 -8.094 -0.439 1.00 0.00 H new ATOM 0 HA2 GLY A 60 160.858 -7.751 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 60 159.185 -8.268 -3.016 1.00 0.00 H new ATOM 838 N CYS A 61 158.776 -6.197 -0.969 1.00 0.00 N ATOM 839 CA CYS A 61 158.287 -4.884 -0.566 1.00 0.00 C ATOM 840 C CYS A 61 159.295 -4.182 0.338 1.00 0.00 C ATOM 841 O CYS A 61 160.328 -4.750 0.692 1.00 0.00 O ATOM 842 CB CYS A 61 156.944 -5.014 0.154 1.00 0.00 C ATOM 843 SG CYS A 61 155.715 -5.985 -0.749 1.00 0.00 S ATOM 0 H CYS A 61 158.529 -6.953 -0.330 1.00 0.00 H new ATOM 0 HA CYS A 61 158.152 -4.284 -1.466 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.109 -5.473 1.129 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.543 -4.017 0.335 1.00 0.00 H new ATOM 0 HG CYS A 61 154.523 -5.555 -0.458 1.00 0.00 H new ATOM 849 N THR A 62 158.989 -2.942 0.708 1.00 0.00 N ATOM 850 CA THR A 62 159.869 -2.162 1.571 1.00 0.00 C ATOM 851 C THR A 62 159.294 -2.056 2.979 1.00 0.00 C ATOM 852 O THR A 62 158.319 -2.728 3.315 1.00 0.00 O ATOM 853 CB THR A 62 160.082 -0.764 0.987 1.00 0.00 C ATOM 854 OG1 THR A 62 158.912 0.020 1.126 1.00 0.00 O ATOM 855 CG2 THR A 62 160.453 -0.778 -0.480 1.00 0.00 C ATOM 0 H THR A 62 158.138 -2.456 0.424 1.00 0.00 H new ATOM 0 HA THR A 62 160.830 -2.674 1.628 1.00 0.00 H new ATOM 0 HB THR A 62 160.912 -0.339 1.551 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.928 0.750 0.472 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.589 0.245 -0.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.380 -1.335 -0.615 1.00 0.00 H new ATOM 0 HG23 THR A 62 159.657 -1.254 -1.052 1.00 0.00 H new ATOM 863 N ASP A 63 159.903 -1.205 3.799 1.00 0.00 N ATOM 864 CA ASP A 63 159.452 -1.010 5.172 1.00 0.00 C ATOM 865 C ASP A 63 158.724 0.321 5.321 1.00 0.00 C ATOM 866 O ASP A 63 158.778 0.956 6.375 1.00 0.00 O ATOM 867 CB ASP A 63 160.640 -1.066 6.134 1.00 0.00 C ATOM 868 CG ASP A 63 161.735 -0.087 5.758 1.00 0.00 C ATOM 869 OD1 ASP A 63 161.507 1.135 5.882 1.00 0.00 O ATOM 870 OD2 ASP A 63 162.819 -0.542 5.339 1.00 0.00 O ATOM 0 H ASP A 63 160.710 -0.640 3.536 1.00 0.00 H new ATOM 0 HA ASP A 63 158.757 -1.813 5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.295 -0.851 7.145 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.048 -2.077 6.145 1.00 0.00 H new ATOM 875 N GLY A 64 158.042 0.739 4.259 1.00 0.00 N ATOM 876 CA GLY A 64 157.313 1.993 4.292 1.00 0.00 C ATOM 877 C GLY A 64 157.989 3.080 3.479 1.00 0.00 C ATOM 878 O GLY A 64 157.932 4.257 3.834 1.00 0.00 O ATOM 0 H GLY A 64 157.981 0.231 3.376 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.304 1.833 3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.214 2.325 5.326 1.00 0.00 H new ATOM 882 N THR A 65 158.632 2.684 2.386 1.00 0.00 N ATOM 883 CA THR A 65 159.323 3.632 1.520 1.00 0.00 C ATOM 884 C THR A 65 158.901 3.449 0.066 1.00 0.00 C ATOM 885 O THR A 65 158.941 2.340 -0.468 1.00 0.00 O ATOM 886 CB THR A 65 160.838 3.462 1.649 1.00 0.00 C ATOM 887 OG1 THR A 65 161.238 2.179 1.200 1.00 0.00 O ATOM 888 CG2 THR A 65 161.341 3.629 3.066 1.00 0.00 C ATOM 0 H THR A 65 158.689 1.713 2.079 1.00 0.00 H new ATOM 0 HA THR A 65 159.049 4.639 1.834 1.00 0.00 H new ATOM 0 HB THR A 65 161.270 4.250 1.032 1.00 0.00 H new ATOM 0 HG1 THR A 65 162.210 2.090 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.423 3.496 3.086 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.091 4.627 3.425 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.872 2.884 3.709 1.00 0.00 H new ATOM 896 N PHE A 66 158.496 4.543 -0.570 1.00 0.00 N ATOM 897 CA PHE A 66 158.066 4.504 -1.963 1.00 0.00 C ATOM 898 C PHE A 66 159.056 5.241 -2.859 1.00 0.00 C ATOM 899 O PHE A 66 159.184 6.463 -2.785 1.00 0.00 O ATOM 900 CB PHE A 66 156.674 5.121 -2.107 1.00 0.00 C ATOM 901 CG PHE A 66 156.062 4.914 -3.462 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.962 3.642 -4.005 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.588 5.989 -4.195 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.399 3.448 -5.252 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.025 5.802 -5.443 1.00 0.00 C ATOM 906 CZ PHE A 66 154.931 4.530 -5.972 1.00 0.00 C ATOM 0 H PHE A 66 158.456 5.468 -0.143 1.00 0.00 H new ATOM 0 HA PHE A 66 158.027 3.460 -2.276 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.016 4.693 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.737 6.190 -1.906 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.328 2.793 -3.447 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.659 6.986 -3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.325 2.452 -5.663 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.659 6.649 -6.004 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.492 4.381 -6.948 1.00 0.00 H new ATOM 916 N ARG A 67 159.755 4.490 -3.704 1.00 0.00 N ATOM 917 CA ARG A 67 160.734 5.073 -4.613 1.00 0.00 C ATOM 918 C ARG A 67 161.838 5.788 -3.841 1.00 0.00 C ATOM 919 O ARG A 67 162.346 6.820 -4.278 1.00 0.00 O ATOM 920 CB ARG A 67 160.052 6.049 -5.573 1.00 0.00 C ATOM 921 CG ARG A 67 158.792 5.490 -6.216 1.00 0.00 C ATOM 922 CD ARG A 67 158.603 6.025 -7.627 1.00 0.00 C ATOM 923 NE ARG A 67 159.699 5.635 -8.512 1.00 0.00 N ATOM 924 CZ ARG A 67 159.811 4.430 -9.066 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.898 3.496 -8.831 1.00 0.00 N ATOM 926 NH2 ARG A 67 160.839 4.160 -9.859 1.00 0.00 N ATOM 0 H ARG A 67 159.661 3.477 -3.778 1.00 0.00 H new ATOM 0 HA ARG A 67 161.185 4.264 -5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.800 6.961 -5.032 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.757 6.327 -6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 67 158.848 4.402 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 67 157.926 5.750 -5.608 1.00 0.00 H new ATOM 0 HD2 ARG A 67 157.661 5.655 -8.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 158.531 7.112 -7.596 1.00 0.00 H new ATOM 0 HE ARG A 67 160.420 6.327 -8.717 1.00 0.00 H new ATOM 0 HH11 ARG A 67 158.105 3.700 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.989 2.574 -9.259 1.00 0.00 H new ATOM 0 HH21 ARG A 67 161.542 4.875 -10.044 1.00 0.00 H new ATOM 0 HH22 ARG A 67 160.926 3.237 -10.284 1.00 0.00 H new ATOM 940 N GLY A 68 162.203 5.234 -2.690 1.00 0.00 N ATOM 941 CA GLY A 68 163.242 5.832 -1.875 1.00 0.00 C ATOM 942 C GLY A 68 162.747 7.030 -1.090 1.00 0.00 C ATOM 943 O GLY A 68 163.514 7.944 -0.788 1.00 0.00 O ATOM 0 H GLY A 68 161.797 4.380 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.632 5.085 -1.184 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.070 6.138 -2.515 1.00 0.00 H new ATOM 947 N THR A 69 161.460 7.025 -0.757 1.00 0.00 N ATOM 948 CA THR A 69 160.862 8.120 -0.002 1.00 0.00 C ATOM 949 C THR A 69 160.025 7.587 1.157 1.00 0.00 C ATOM 950 O THR A 69 158.921 7.081 0.958 1.00 0.00 O ATOM 951 CB THR A 69 159.993 8.984 -0.918 1.00 0.00 C ATOM 952 OG1 THR A 69 160.667 9.263 -2.131 1.00 0.00 O ATOM 953 CG2 THR A 69 159.599 10.306 -0.297 1.00 0.00 C ATOM 0 H THR A 69 160.812 6.275 -0.998 1.00 0.00 H new ATOM 0 HA THR A 69 161.668 8.731 0.405 1.00 0.00 H new ATOM 0 HB THR A 69 159.089 8.400 -1.094 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.095 9.815 -2.704 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.984 10.869 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 69 159.033 10.124 0.617 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.496 10.878 -0.060 1.00 0.00 H new ATOM 961 N ARG A 70 160.560 7.705 2.368 1.00 0.00 N ATOM 962 CA ARG A 70 159.862 7.237 3.560 1.00 0.00 C ATOM 963 C ARG A 70 158.583 8.034 3.793 1.00 0.00 C ATOM 964 O ARG A 70 158.604 9.265 3.826 1.00 0.00 O ATOM 965 CB ARG A 70 160.772 7.343 4.785 1.00 0.00 C ATOM 966 CG ARG A 70 160.162 6.760 6.050 1.00 0.00 C ATOM 967 CD ARG A 70 160.641 7.498 7.289 1.00 0.00 C ATOM 968 NE ARG A 70 161.937 7.009 7.750 1.00 0.00 N ATOM 969 CZ ARG A 70 162.648 7.587 8.716 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.191 8.674 9.325 1.00 0.00 N ATOM 971 NH2 ARG A 70 163.818 7.076 9.075 1.00 0.00 N ATOM 0 H ARG A 70 161.474 8.120 2.550 1.00 0.00 H new ATOM 0 HA ARG A 70 159.593 6.192 3.404 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.711 6.830 4.575 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.013 8.392 4.958 1.00 0.00 H new ATOM 0 HG2 ARG A 70 159.075 6.815 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.424 5.705 6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.712 8.564 7.071 1.00 0.00 H new ATOM 0 HD3 ARG A 70 159.906 7.384 8.086 1.00 0.00 H new ATOM 0 HE ARG A 70 162.321 6.175 7.306 1.00 0.00 H new ATOM 0 HH11 ARG A 70 161.291 9.070 9.054 1.00 0.00 H new ATOM 0 HH12 ARG A 70 162.740 9.113 10.064 1.00 0.00 H new ATOM 0 HH21 ARG A 70 164.173 6.240 8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 70 164.363 7.519 9.815 1.00 0.00 H new ATOM 985 N TYR A 71 157.470 7.325 3.952 1.00 0.00 N ATOM 986 CA TYR A 71 156.180 7.967 4.180 1.00 0.00 C ATOM 987 C TYR A 71 155.674 7.682 5.590 1.00 0.00 C ATOM 988 O TYR A 71 155.163 8.573 6.270 1.00 0.00 O ATOM 989 CB TYR A 71 155.157 7.484 3.151 1.00 0.00 C ATOM 990 CG TYR A 71 155.254 8.194 1.820 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.379 9.576 1.756 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.222 7.483 0.628 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.468 10.230 0.542 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.311 8.130 -0.592 1.00 0.00 C ATOM 995 CZ TYR A 71 155.433 9.502 -0.628 1.00 0.00 C ATOM 996 OH TYR A 71 155.522 10.149 -1.840 1.00 0.00 O ATOM 0 H TYR A 71 157.435 6.306 3.927 1.00 0.00 H new ATOM 0 HA TYR A 71 156.313 9.043 4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 71 155.291 6.414 2.993 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.154 7.623 3.555 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.407 10.149 2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.126 6.408 0.653 1.00 0.00 H new ATOM 0 HE1 TYR A 71 155.564 11.305 0.510 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.285 7.563 -1.511 1.00 0.00 H new ATOM 0 HH TYR A 71 154.625 10.261 -2.218 1.00 0.00 H new ATOM 1006 N PHE A 72 155.818 6.433 6.025 1.00 0.00 N ATOM 1007 CA PHE A 72 155.374 6.031 7.354 1.00 0.00 C ATOM 1008 C PHE A 72 156.371 5.067 7.991 1.00 0.00 C ATOM 1009 O PHE A 72 157.400 4.741 7.399 1.00 0.00 O ATOM 1010 CB PHE A 72 153.994 5.378 7.277 1.00 0.00 C ATOM 1011 CG PHE A 72 153.913 4.259 6.279 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.609 4.517 4.953 1.00 0.00 C ATOM 1013 CD2 PHE A 72 154.142 2.948 6.668 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.534 3.488 4.031 1.00 0.00 C ATOM 1015 CE2 PHE A 72 154.069 1.916 5.752 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.765 2.186 4.432 1.00 0.00 C ATOM 0 H PHE A 72 156.239 5.683 5.476 1.00 0.00 H new ATOM 0 HA PHE A 72 155.311 6.924 7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.727 4.995 8.262 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.256 6.137 7.019 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.428 5.533 4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.380 2.731 7.699 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.295 3.702 3.000 1.00 0.00 H new ATOM 0 HE2 PHE A 72 154.249 0.899 6.068 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.708 1.381 3.714 1.00 0.00 H new ATOM 1026 N THR A 73 156.058 4.615 9.200 1.00 0.00 N ATOM 1027 CA THR A 73 156.926 3.688 9.918 1.00 0.00 C ATOM 1028 C THR A 73 156.249 2.332 10.092 1.00 0.00 C ATOM 1029 O THR A 73 155.294 2.197 10.857 1.00 0.00 O ATOM 1030 CB THR A 73 157.300 4.262 11.286 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.264 5.679 11.261 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.677 3.846 11.754 1.00 0.00 C ATOM 0 H THR A 73 155.210 4.875 9.704 1.00 0.00 H new ATOM 0 HA THR A 73 157.833 3.549 9.329 1.00 0.00 H new ATOM 0 HB THR A 73 156.562 3.860 11.980 1.00 0.00 H new ATOM 0 HG1 THR A 73 157.504 6.028 12.145 1.00 0.00 H new ATOM 0 HG21 THR A 73 158.878 4.288 12.730 1.00 0.00 H new ATOM 0 HG22 THR A 73 158.722 2.760 11.831 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.424 4.191 11.039 1.00 0.00 H new ATOM 1040 N CYS A 74 156.751 1.330 9.377 1.00 0.00 N ATOM 1041 CA CYS A 74 156.194 -0.016 9.452 1.00 0.00 C ATOM 1042 C CYS A 74 157.303 -1.064 9.444 1.00 0.00 C ATOM 1043 O CYS A 74 158.474 -0.742 9.240 1.00 0.00 O ATOM 1044 CB CYS A 74 155.237 -0.260 8.284 1.00 0.00 C ATOM 1045 SG CYS A 74 153.533 0.249 8.608 1.00 0.00 S ATOM 0 H CYS A 74 157.542 1.425 8.740 1.00 0.00 H new ATOM 0 HA CYS A 74 155.643 -0.103 10.388 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.605 0.276 7.409 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.247 -1.321 8.036 1.00 0.00 H new ATOM 0 HG CYS A 74 153.230 1.259 7.848 1.00 0.00 H new ATOM 1051 N ALA A 75 156.926 -2.318 9.665 1.00 0.00 N ATOM 1052 CA ALA A 75 157.887 -3.414 9.683 1.00 0.00 C ATOM 1053 C ALA A 75 158.563 -3.573 8.325 1.00 0.00 C ATOM 1054 O ALA A 75 158.307 -2.802 7.400 1.00 0.00 O ATOM 1055 CB ALA A 75 157.202 -4.710 10.088 1.00 0.00 C ATOM 0 H ALA A 75 155.961 -2.601 9.834 1.00 0.00 H new ATOM 0 HA ALA A 75 158.657 -3.178 10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.932 -5.520 10.097 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.771 -4.598 11.083 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.411 -4.942 9.374 1.00 0.00 H new ATOM 1061 N LEU A 76 159.428 -4.576 8.214 1.00 0.00 N ATOM 1062 CA LEU A 76 160.140 -4.836 6.970 1.00 0.00 C ATOM 1063 C LEU A 76 159.343 -5.774 6.071 1.00 0.00 C ATOM 1064 O LEU A 76 158.761 -6.754 6.538 1.00 0.00 O ATOM 1065 CB LEU A 76 161.516 -5.439 7.262 1.00 0.00 C ATOM 1066 CG LEU A 76 162.491 -4.508 7.985 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.544 -5.313 8.731 1.00 0.00 C ATOM 1068 CD2 LEU A 76 163.146 -3.554 6.999 1.00 0.00 C ATOM 0 H LEU A 76 159.652 -5.222 8.971 1.00 0.00 H new ATOM 0 HA LEU A 76 160.269 -3.887 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.382 -6.338 7.864 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.966 -5.751 6.320 1.00 0.00 H new ATOM 0 HG LEU A 76 161.931 -3.920 8.712 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.229 -4.634 9.239 1.00 0.00 H new ATOM 0 HD12 LEU A 76 163.058 -5.955 9.466 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.101 -5.928 8.024 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.836 -2.899 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.693 -4.125 6.248 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.379 -2.953 6.510 1.00 0.00 H new ATOM 1080 N LYS A 77 159.317 -5.468 4.778 1.00 0.00 N ATOM 1081 CA LYS A 77 158.590 -6.284 3.812 1.00 0.00 C ATOM 1082 C LYS A 77 157.095 -6.288 4.118 1.00 0.00 C ATOM 1083 O LYS A 77 156.429 -7.316 4.000 1.00 0.00 O ATOM 1084 CB LYS A 77 159.128 -7.715 3.813 1.00 0.00 C ATOM 1085 CG LYS A 77 160.634 -7.800 3.630 1.00 0.00 C ATOM 1086 CD LYS A 77 161.057 -7.310 2.255 1.00 0.00 C ATOM 1087 CE LYS A 77 162.356 -6.523 2.319 1.00 0.00 C ATOM 1088 NZ LYS A 77 163.544 -7.416 2.398 1.00 0.00 N ATOM 0 H LYS A 77 159.791 -4.660 4.375 1.00 0.00 H new ATOM 0 HA LYS A 77 158.738 -5.850 2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 77 158.857 -8.195 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.641 -8.278 3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.129 -7.205 4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 77 160.960 -8.831 3.766 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.179 -8.162 1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.271 -6.683 1.833 1.00 0.00 H new ATOM 0 HE2 LYS A 77 162.438 -5.887 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 77 162.339 -5.864 3.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 164.409 -6.840 2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 163.479 -8.006 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 163.575 -8.027 1.557 1.00 0.00 H new ATOM 1102 N LYS A 78 156.575 -5.129 4.511 1.00 0.00 N ATOM 1103 CA LYS A 78 155.158 -4.999 4.835 1.00 0.00 C ATOM 1104 C LYS A 78 154.626 -3.635 4.409 1.00 0.00 C ATOM 1105 O LYS A 78 153.813 -3.029 5.105 1.00 0.00 O ATOM 1106 CB LYS A 78 154.935 -5.202 6.335 1.00 0.00 C ATOM 1107 CG LYS A 78 155.471 -6.525 6.856 1.00 0.00 C ATOM 1108 CD LYS A 78 155.046 -6.771 8.295 1.00 0.00 C ATOM 1109 CE LYS A 78 153.892 -7.759 8.376 1.00 0.00 C ATOM 1110 NZ LYS A 78 152.858 -7.327 9.357 1.00 0.00 N ATOM 0 H LYS A 78 157.112 -4.268 4.613 1.00 0.00 H new ATOM 0 HA LYS A 78 154.613 -5.768 4.287 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.413 -4.387 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.867 -5.144 6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.111 -7.338 6.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.559 -6.529 6.791 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.893 -7.152 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 78 154.751 -5.828 8.754 1.00 0.00 H new ATOM 0 HE2 LYS A 78 153.436 -7.866 7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 78 154.273 -8.740 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.132 -8.067 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 153.303 -7.167 10.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.415 -6.445 9.029 1.00 0.00 H new ATOM 1124 N ALA A 79 155.092 -3.158 3.259 1.00 0.00 N ATOM 1125 CA ALA A 79 154.663 -1.865 2.739 1.00 0.00 C ATOM 1126 C ALA A 79 154.486 -1.913 1.224 1.00 0.00 C ATOM 1127 O ALA A 79 155.458 -1.832 0.474 1.00 0.00 O ATOM 1128 CB ALA A 79 155.663 -0.785 3.120 1.00 0.00 C ATOM 0 H ALA A 79 155.766 -3.647 2.670 1.00 0.00 H new ATOM 0 HA ALA A 79 153.698 -1.625 3.184 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.330 0.175 2.725 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.737 -0.725 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.640 -1.030 2.703 1.00 0.00 H new ATOM 1134 N LEU A 80 153.240 -2.048 0.784 1.00 0.00 N ATOM 1135 CA LEU A 80 152.935 -2.108 -0.642 1.00 0.00 C ATOM 1136 C LEU A 80 152.158 -0.872 -1.085 1.00 0.00 C ATOM 1137 O LEU A 80 150.982 -0.716 -0.757 1.00 0.00 O ATOM 1138 CB LEU A 80 152.132 -3.370 -0.960 1.00 0.00 C ATOM 1139 CG LEU A 80 151.709 -3.517 -2.423 1.00 0.00 C ATOM 1140 CD1 LEU A 80 152.928 -3.673 -3.318 1.00 0.00 C ATOM 1141 CD2 LEU A 80 150.769 -4.701 -2.589 1.00 0.00 C ATOM 0 H LEU A 80 152.425 -2.118 1.393 1.00 0.00 H new ATOM 0 HA LEU A 80 153.878 -2.138 -1.189 1.00 0.00 H new ATOM 0 HB2 LEU A 80 152.726 -4.240 -0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.238 -3.380 -0.336 1.00 0.00 H new ATOM 0 HG LEU A 80 151.179 -2.612 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 80 152.607 -3.776 -4.355 1.00 0.00 H new ATOM 0 HD12 LEU A 80 153.565 -2.794 -3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 80 153.486 -4.561 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 80 150.478 -4.791 -3.636 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.274 -5.614 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 80 149.880 -4.548 -1.977 1.00 0.00 H new ATOM 1153 N PHE A 81 152.824 0.002 -1.833 1.00 0.00 N ATOM 1154 CA PHE A 81 152.195 1.224 -2.321 1.00 0.00 C ATOM 1155 C PHE A 81 151.421 0.959 -3.609 1.00 0.00 C ATOM 1156 O PHE A 81 151.893 0.242 -4.492 1.00 0.00 O ATOM 1157 CB PHE A 81 153.250 2.305 -2.561 1.00 0.00 C ATOM 1158 CG PHE A 81 153.927 2.771 -1.304 1.00 0.00 C ATOM 1159 CD1 PHE A 81 153.349 3.752 -0.514 1.00 0.00 C ATOM 1160 CD2 PHE A 81 155.141 2.230 -0.913 1.00 0.00 C ATOM 1161 CE1 PHE A 81 153.970 4.184 0.643 1.00 0.00 C ATOM 1162 CE2 PHE A 81 155.766 2.657 0.243 1.00 0.00 C ATOM 1163 CZ PHE A 81 155.180 3.636 1.022 1.00 0.00 C ATOM 0 H PHE A 81 153.798 -0.113 -2.114 1.00 0.00 H new ATOM 0 HA PHE A 81 151.495 1.572 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 81 154.003 1.920 -3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.780 3.159 -3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 81 152.403 4.184 -0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 81 155.604 1.465 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 81 153.509 4.949 1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 81 156.712 2.226 0.537 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.667 3.972 1.925 1.00 0.00 H new ATOM 1173 N VAL A 82 150.230 1.540 -3.708 1.00 0.00 N ATOM 1174 CA VAL A 82 149.392 1.366 -4.888 1.00 0.00 C ATOM 1175 C VAL A 82 148.405 2.518 -5.036 1.00 0.00 C ATOM 1176 O VAL A 82 148.216 3.311 -4.112 1.00 0.00 O ATOM 1177 CB VAL A 82 148.608 0.041 -4.830 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.551 -1.144 -4.972 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.812 -0.053 -3.537 1.00 0.00 C ATOM 0 H VAL A 82 149.824 2.135 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 82 150.060 1.349 -5.749 1.00 0.00 H new ATOM 0 HB VAL A 82 147.906 0.019 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.979 -2.071 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 82 150.071 -1.083 -5.928 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.279 -1.129 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.265 -0.995 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.492 -0.008 -2.687 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.107 0.777 -3.482 1.00 0.00 H new ATOM 1189 N LYS A 83 147.779 2.607 -6.205 1.00 0.00 N ATOM 1190 CA LYS A 83 146.812 3.663 -6.476 1.00 0.00 C ATOM 1191 C LYS A 83 145.588 3.528 -5.576 1.00 0.00 C ATOM 1192 O LYS A 83 144.925 2.491 -5.563 1.00 0.00 O ATOM 1193 CB LYS A 83 146.386 3.628 -7.943 1.00 0.00 C ATOM 1194 CG LYS A 83 147.535 3.842 -8.914 1.00 0.00 C ATOM 1195 CD LYS A 83 147.328 3.060 -10.201 1.00 0.00 C ATOM 1196 CE LYS A 83 147.711 3.883 -11.421 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.378 3.054 -12.463 1.00 0.00 N ATOM 0 H LYS A 83 147.925 1.960 -6.980 1.00 0.00 H new ATOM 0 HA LYS A 83 147.290 4.620 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 83 145.917 2.667 -8.154 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.630 4.395 -8.112 1.00 0.00 H new ATOM 0 HG2 LYS A 83 147.627 4.904 -9.143 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.470 3.535 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.925 2.148 -10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.284 2.756 -10.279 1.00 0.00 H new ATOM 0 HE2 LYS A 83 146.818 4.346 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.377 4.691 -11.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.623 3.652 -13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.244 2.633 -12.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.734 2.298 -12.770 1.00 0.00 H new ATOM 1211 N LEU A 84 145.297 4.584 -4.824 1.00 0.00 N ATOM 1212 CA LEU A 84 144.155 4.589 -3.920 1.00 0.00 C ATOM 1213 C LEU A 84 142.854 4.351 -4.682 1.00 0.00 C ATOM 1214 O LEU A 84 141.904 3.781 -4.146 1.00 0.00 O ATOM 1215 CB LEU A 84 144.084 5.921 -3.168 1.00 0.00 C ATOM 1216 CG LEU A 84 142.860 6.097 -2.270 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.005 5.271 -1.001 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.654 7.566 -1.931 1.00 0.00 C ATOM 0 H LEU A 84 145.838 5.449 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 84 144.286 3.779 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 84 144.981 6.023 -2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.100 6.732 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 84 141.983 5.743 -2.811 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.124 5.409 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.103 4.217 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.892 5.594 -0.456 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.778 7.672 -1.291 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.533 7.946 -1.410 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.503 8.134 -2.849 1.00 0.00 H new ATOM 1230 N LYS A 85 142.820 4.791 -5.936 1.00 0.00 N ATOM 1231 CA LYS A 85 141.638 4.625 -6.773 1.00 0.00 C ATOM 1232 C LYS A 85 141.346 3.149 -7.023 1.00 0.00 C ATOM 1233 O LYS A 85 140.199 2.762 -7.245 1.00 0.00 O ATOM 1234 CB LYS A 85 141.824 5.353 -8.106 1.00 0.00 C ATOM 1235 CG LYS A 85 142.964 4.800 -8.947 1.00 0.00 C ATOM 1236 CD LYS A 85 143.695 5.905 -9.691 1.00 0.00 C ATOM 1237 CE LYS A 85 144.591 5.343 -10.783 1.00 0.00 C ATOM 1238 NZ LYS A 85 143.805 4.844 -11.945 1.00 0.00 N ATOM 0 H LYS A 85 143.598 5.265 -6.395 1.00 0.00 H new ATOM 0 HA LYS A 85 140.789 5.058 -6.245 1.00 0.00 H new ATOM 0 HB2 LYS A 85 140.898 5.290 -8.677 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.007 6.410 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.665 4.267 -8.305 1.00 0.00 H new ATOM 0 HG3 LYS A 85 142.572 4.076 -9.662 1.00 0.00 H new ATOM 0 HD2 LYS A 85 142.970 6.590 -10.130 1.00 0.00 H new ATOM 0 HD3 LYS A 85 144.295 6.483 -8.988 1.00 0.00 H new ATOM 0 HE2 LYS A 85 145.283 6.116 -11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 85 145.193 4.530 -10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 144.445 4.659 -12.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 143.317 3.964 -11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 143.103 5.560 -12.222 1.00 0.00 H new ATOM 1252 N SER A 86 142.391 2.327 -6.987 1.00 0.00 N ATOM 1253 CA SER A 86 142.245 0.893 -7.211 1.00 0.00 C ATOM 1254 C SER A 86 142.174 0.138 -5.887 1.00 0.00 C ATOM 1255 O SER A 86 142.631 -1.000 -5.785 1.00 0.00 O ATOM 1256 CB SER A 86 143.408 0.365 -8.051 1.00 0.00 C ATOM 1257 OG SER A 86 143.446 0.993 -9.321 1.00 0.00 O ATOM 0 H SER A 86 143.348 2.630 -6.805 1.00 0.00 H new ATOM 0 HA SER A 86 141.313 0.729 -7.751 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.348 0.540 -7.527 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.309 -0.713 -8.178 1.00 0.00 H new ATOM 0 HG SER A 86 144.199 0.639 -9.838 1.00 0.00 H new ATOM 1263 N CYS A 87 141.598 0.779 -4.874 1.00 0.00 N ATOM 1264 CA CYS A 87 141.467 0.167 -3.557 1.00 0.00 C ATOM 1265 C CYS A 87 139.999 -0.033 -3.194 1.00 0.00 C ATOM 1266 O CYS A 87 139.129 0.702 -3.662 1.00 0.00 O ATOM 1267 CB CYS A 87 142.154 1.032 -2.499 1.00 0.00 C ATOM 1268 SG CYS A 87 143.960 0.965 -2.548 1.00 0.00 S ATOM 0 H CYS A 87 141.215 1.722 -4.941 1.00 0.00 H new ATOM 0 HA CYS A 87 141.951 -0.809 -3.587 1.00 0.00 H new ATOM 0 HB2 CYS A 87 141.836 2.066 -2.629 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.816 0.716 -1.512 1.00 0.00 H new ATOM 0 HG CYS A 87 144.385 1.515 -3.647 1.00 0.00 H new ATOM 1274 N ARG A 88 139.731 -1.030 -2.358 1.00 0.00 N ATOM 1275 CA ARG A 88 138.367 -1.324 -1.933 1.00 0.00 C ATOM 1276 C ARG A 88 138.296 -1.513 -0.419 1.00 0.00 C ATOM 1277 O ARG A 88 139.226 -2.038 0.193 1.00 0.00 O ATOM 1278 CB ARG A 88 137.849 -2.577 -2.639 1.00 0.00 C ATOM 1279 CG ARG A 88 137.403 -2.328 -4.072 1.00 0.00 C ATOM 1280 CD ARG A 88 136.086 -3.025 -4.377 1.00 0.00 C ATOM 1281 NE ARG A 88 135.450 -2.490 -5.578 1.00 0.00 N ATOM 1282 CZ ARG A 88 134.428 -3.076 -6.198 1.00 0.00 C ATOM 1283 NH1 ARG A 88 133.924 -4.214 -5.735 1.00 0.00 N ATOM 1284 NH2 ARG A 88 133.907 -2.523 -7.285 1.00 0.00 N ATOM 0 H ARG A 88 140.439 -1.648 -1.961 1.00 0.00 H new ATOM 0 HA ARG A 88 137.739 -0.476 -2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.632 -3.335 -2.638 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.011 -2.983 -2.072 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.296 -1.256 -4.239 1.00 0.00 H new ATOM 0 HG3 ARG A 88 138.171 -2.683 -4.760 1.00 0.00 H new ATOM 0 HD2 ARG A 88 136.262 -4.093 -4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.411 -2.913 -3.528 1.00 0.00 H new ATOM 0 HE ARG A 88 135.810 -1.617 -5.964 1.00 0.00 H new ATOM 0 HH11 ARG A 88 134.320 -4.644 -4.899 1.00 0.00 H new ATOM 0 HH12 ARG A 88 133.141 -4.658 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 88 134.289 -1.649 -7.646 1.00 0.00 H new ATOM 0 HH22 ARG A 88 133.124 -2.972 -7.760 1.00 0.00 H new ATOM 1298 N PRO A 89 137.185 -1.087 0.210 1.00 0.00 N ATOM 1299 CA PRO A 89 137.002 -1.213 1.660 1.00 0.00 C ATOM 1300 C PRO A 89 137.199 -2.645 2.145 1.00 0.00 C ATOM 1301 O PRO A 89 136.595 -3.579 1.617 1.00 0.00 O ATOM 1302 CB PRO A 89 135.553 -0.771 1.878 1.00 0.00 C ATOM 1303 CG PRO A 89 135.241 0.104 0.715 1.00 0.00 C ATOM 1304 CD PRO A 89 136.025 -0.449 -0.441 1.00 0.00 C ATOM 0 HA PRO A 89 137.730 -0.620 2.214 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.880 -1.628 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.441 -0.232 2.819 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.173 0.100 0.499 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.521 1.138 0.918 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.441 -1.168 -1.016 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.333 0.337 -1.131 1.00 0.00 H new ATOM 1312 N ASP A 90 138.048 -2.811 3.153 1.00 0.00 N ATOM 1313 CA ASP A 90 138.324 -4.130 3.710 1.00 0.00 C ATOM 1314 C ASP A 90 137.589 -4.329 5.031 1.00 0.00 C ATOM 1315 O ASP A 90 137.948 -3.734 6.048 1.00 0.00 O ATOM 1316 CB ASP A 90 139.829 -4.316 3.918 1.00 0.00 C ATOM 1317 CG ASP A 90 140.229 -5.777 3.972 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.989 -6.496 2.979 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.783 -6.203 5.008 1.00 0.00 O ATOM 0 H ASP A 90 138.557 -2.049 3.601 1.00 0.00 H new ATOM 0 HA ASP A 90 137.967 -4.877 3.000 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.368 -3.824 3.108 1.00 0.00 H new ATOM 0 HB3 ASP A 90 140.128 -3.826 4.844 1.00 0.00 H new ATOM 1324 N SER A 91 136.559 -5.167 5.010 1.00 0.00 N ATOM 1325 CA SER A 91 135.772 -5.443 6.208 1.00 0.00 C ATOM 1326 C SER A 91 136.212 -6.752 6.856 1.00 0.00 C ATOM 1327 O SER A 91 135.407 -7.454 7.468 1.00 0.00 O ATOM 1328 CB SER A 91 134.284 -5.508 5.861 1.00 0.00 C ATOM 1329 OG SER A 91 133.486 -5.094 6.957 1.00 0.00 O ATOM 0 H SER A 91 136.249 -5.667 4.177 1.00 0.00 H new ATOM 0 HA SER A 91 135.938 -4.632 6.918 1.00 0.00 H new ATOM 0 HB2 SER A 91 134.080 -4.873 4.999 1.00 0.00 H new ATOM 0 HB3 SER A 91 134.018 -6.526 5.577 1.00 0.00 H new ATOM 0 HG SER A 91 132.539 -5.143 6.709 1.00 0.00 H new ATOM 1335 N ARG A 92 137.494 -7.074 6.718 1.00 0.00 N ATOM 1336 CA ARG A 92 138.040 -8.299 7.291 1.00 0.00 C ATOM 1337 C ARG A 92 137.997 -8.255 8.815 1.00 0.00 C ATOM 1338 O ARG A 92 137.778 -9.274 9.469 1.00 0.00 O ATOM 1339 CB ARG A 92 139.479 -8.511 6.816 1.00 0.00 C ATOM 1340 CG ARG A 92 139.579 -9.239 5.486 1.00 0.00 C ATOM 1341 CD ARG A 92 139.435 -10.743 5.661 1.00 0.00 C ATOM 1342 NE ARG A 92 138.046 -11.178 5.537 1.00 0.00 N ATOM 1343 CZ ARG A 92 137.404 -11.285 4.375 1.00 0.00 C ATOM 1344 NH1 ARG A 92 138.022 -10.991 3.239 1.00 0.00 N ATOM 1345 NH2 ARG A 92 136.142 -11.689 4.352 1.00 0.00 N ATOM 0 H ARG A 92 138.174 -6.504 6.215 1.00 0.00 H new ATOM 0 HA ARG A 92 137.425 -9.133 6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.970 -7.542 6.728 1.00 0.00 H new ATOM 0 HB3 ARG A 92 140.023 -9.077 7.572 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.804 -8.874 4.811 1.00 0.00 H new ATOM 0 HG3 ARG A 92 140.539 -9.016 5.019 1.00 0.00 H new ATOM 0 HD2 ARG A 92 140.043 -11.255 4.915 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.820 -11.033 6.639 1.00 0.00 H new ATOM 0 HE ARG A 92 137.538 -11.413 6.390 1.00 0.00 H new ATOM 0 HH11 ARG A 92 138.994 -10.681 3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 92 137.526 -11.075 2.352 1.00 0.00 H new ATOM 0 HH21 ARG A 92 135.664 -11.917 5.223 1.00 0.00 H new ATOM 0 HH22 ARG A 92 135.649 -11.771 3.463 1.00 0.00 H new