USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=15 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 41 GLN : amide:sc= -3.45! K(o=-6.5!,f=-2.3) USER MOD Set 1.2: A 46 ASN : amide:sc= -3.05! K(o=-6.5!,f=-3.6) USER MOD Single : A 22 SER OG : rot -170:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot -140:sc= -0.121 USER MOD Single : A 62 THR OG1 : rot 175:sc= 0.277 USER MOD Single : A 65 THR OG1 : rot 35:sc= 0.0844 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot -90:sc= 0.00297 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 CYS SG : rot 115:sc= 1.2 USER MOD Single : A 77 LYS NZ :NH3+ -174:sc= 1.06 (180deg=1.02) USER MOD Single : A 78 LYS NZ :NH3+ -129:sc= 1.21 (180deg=-1.05) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 73:sc= 0.0742 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 199 N LEU A 18 138.106 5.519 2.121 1.00 0.00 N ATOM 200 CA LEU A 18 139.464 4.989 2.080 1.00 0.00 C ATOM 201 C LEU A 18 140.482 6.077 2.411 1.00 0.00 C ATOM 202 O LEU A 18 140.788 6.929 1.578 1.00 0.00 O ATOM 203 CB LEU A 18 139.763 4.398 0.701 1.00 0.00 C ATOM 204 CG LEU A 18 139.023 3.098 0.381 1.00 0.00 C ATOM 205 CD1 LEU A 18 138.916 2.902 -1.124 1.00 0.00 C ATOM 206 CD2 LEU A 18 139.726 1.914 1.027 1.00 0.00 C ATOM 0 HA LEU A 18 139.543 4.201 2.829 1.00 0.00 H new ATOM 0 HB2 LEU A 18 139.510 5.139 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 18 140.835 4.217 0.625 1.00 0.00 H new ATOM 0 HG LEU A 18 138.015 3.164 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 18 138.387 1.972 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 18 138.369 3.737 -1.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 139.915 2.856 -1.557 1.00 0.00 H new ATOM 0 HD21 LEU A 18 139.187 0.997 0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 18 140.745 1.844 0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 18 139.750 2.051 2.108 1.00 0.00 H new ATOM 218 N GLU A 19 141.003 6.039 3.633 1.00 0.00 N ATOM 219 CA GLU A 19 141.987 7.021 4.076 1.00 0.00 C ATOM 220 C GLU A 19 143.003 6.385 5.019 1.00 0.00 C ATOM 221 O GLU A 19 142.915 5.198 5.333 1.00 0.00 O ATOM 222 CB GLU A 19 141.291 8.193 4.771 1.00 0.00 C ATOM 223 CG GLU A 19 140.354 7.767 5.889 1.00 0.00 C ATOM 224 CD GLU A 19 139.186 8.717 6.064 1.00 0.00 C ATOM 225 OE1 GLU A 19 138.168 8.543 5.361 1.00 0.00 O ATOM 226 OE2 GLU A 19 139.287 9.634 6.905 1.00 0.00 O ATOM 0 H GLU A 19 140.761 5.339 4.334 1.00 0.00 H new ATOM 0 HA GLU A 19 142.516 7.391 3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 19 142.047 8.864 5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 19 140.726 8.760 4.031 1.00 0.00 H new ATOM 0 HG2 GLU A 19 139.976 6.766 5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 19 140.912 7.707 6.823 1.00 0.00 H new ATOM 233 N VAL A 20 143.968 7.183 5.466 1.00 0.00 N ATOM 234 CA VAL A 20 145.001 6.699 6.374 1.00 0.00 C ATOM 235 C VAL A 20 144.390 6.120 7.646 1.00 0.00 C ATOM 236 O VAL A 20 143.480 6.706 8.230 1.00 0.00 O ATOM 237 CB VAL A 20 145.985 7.822 6.754 1.00 0.00 C ATOM 238 CG1 VAL A 20 147.147 7.267 7.563 1.00 0.00 C ATOM 239 CG2 VAL A 20 146.487 8.537 5.508 1.00 0.00 C ATOM 0 H VAL A 20 144.056 8.167 5.214 1.00 0.00 H new ATOM 0 HA VAL A 20 145.543 5.914 5.847 1.00 0.00 H new ATOM 0 HB VAL A 20 145.456 8.547 7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 20 147.830 8.076 7.821 1.00 0.00 H new ATOM 0 HG12 VAL A 20 146.768 6.807 8.476 1.00 0.00 H new ATOM 0 HG13 VAL A 20 147.677 6.519 6.973 1.00 0.00 H new ATOM 0 HG21 VAL A 20 147.181 9.327 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 20 146.997 7.824 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 20 145.643 8.973 4.974 1.00 0.00 H new ATOM 249 N GLY A 21 144.897 4.967 8.068 1.00 0.00 N ATOM 250 CA GLY A 21 144.389 4.329 9.267 1.00 0.00 C ATOM 251 C GLY A 21 143.329 3.289 8.967 1.00 0.00 C ATOM 252 O GLY A 21 143.299 2.225 9.586 1.00 0.00 O ATOM 0 H GLY A 21 145.651 4.463 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 21 145.214 3.858 9.801 1.00 0.00 H new ATOM 0 HA3 GLY A 21 143.972 5.088 9.929 1.00 0.00 H new ATOM 256 N SER A 22 142.455 3.595 8.013 1.00 0.00 N ATOM 257 CA SER A 22 141.387 2.679 7.631 1.00 0.00 C ATOM 258 C SER A 22 141.933 1.524 6.796 1.00 0.00 C ATOM 259 O SER A 22 142.942 1.668 6.106 1.00 0.00 O ATOM 260 CB SER A 22 140.304 3.423 6.847 1.00 0.00 C ATOM 261 OG SER A 22 140.042 4.693 7.418 1.00 0.00 O ATOM 0 H SER A 22 142.466 4.471 7.490 1.00 0.00 H new ATOM 0 HA SER A 22 140.950 2.270 8.542 1.00 0.00 H new ATOM 0 HB2 SER A 22 140.620 3.545 5.811 1.00 0.00 H new ATOM 0 HB3 SER A 22 139.389 2.831 6.834 1.00 0.00 H new ATOM 0 HG SER A 22 139.245 5.081 7.001 1.00 0.00 H new ATOM 267 N LEU A 23 141.259 0.381 6.865 1.00 0.00 N ATOM 268 CA LEU A 23 141.677 -0.798 6.116 1.00 0.00 C ATOM 269 C LEU A 23 141.131 -0.761 4.693 1.00 0.00 C ATOM 270 O LEU A 23 140.073 -0.186 4.438 1.00 0.00 O ATOM 271 CB LEU A 23 141.206 -2.070 6.824 1.00 0.00 C ATOM 272 CG LEU A 23 141.688 -2.224 8.267 1.00 0.00 C ATOM 273 CD1 LEU A 23 140.698 -3.049 9.075 1.00 0.00 C ATOM 274 CD2 LEU A 23 143.069 -2.862 8.302 1.00 0.00 C ATOM 0 H LEU A 23 140.422 0.246 7.432 1.00 0.00 H new ATOM 0 HA LEU A 23 142.766 -0.800 6.067 1.00 0.00 H new ATOM 0 HB2 LEU A 23 140.116 -2.089 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 23 141.544 -2.933 6.250 1.00 0.00 H new ATOM 0 HG LEU A 23 141.755 -1.233 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 23 141.058 -3.148 10.099 1.00 0.00 H new ATOM 0 HD12 LEU A 23 139.728 -2.553 9.078 1.00 0.00 H new ATOM 0 HD13 LEU A 23 140.599 -4.038 8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 23 143.397 -2.964 9.337 1.00 0.00 H new ATOM 0 HD22 LEU A 23 143.027 -3.846 7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 23 143.774 -2.233 7.759 1.00 0.00 H new ATOM 286 N ALA A 24 141.859 -1.379 3.768 1.00 0.00 N ATOM 287 CA ALA A 24 141.447 -1.417 2.370 1.00 0.00 C ATOM 288 C ALA A 24 141.974 -2.668 1.676 1.00 0.00 C ATOM 289 O ALA A 24 142.870 -3.341 2.186 1.00 0.00 O ATOM 290 CB ALA A 24 141.925 -0.168 1.646 1.00 0.00 C ATOM 0 H ALA A 24 142.737 -1.860 3.962 1.00 0.00 H new ATOM 0 HA ALA A 24 140.358 -1.448 2.338 1.00 0.00 H new ATOM 0 HB1 ALA A 24 141.611 -0.209 0.603 1.00 0.00 H new ATOM 0 HB2 ALA A 24 141.495 0.714 2.120 1.00 0.00 H new ATOM 0 HB3 ALA A 24 143.012 -0.113 1.695 1.00 0.00 H new ATOM 296 N GLU A 25 141.413 -2.975 0.511 1.00 0.00 N ATOM 297 CA GLU A 25 141.827 -4.145 -0.252 1.00 0.00 C ATOM 298 C GLU A 25 142.061 -3.785 -1.716 1.00 0.00 C ATOM 299 O GLU A 25 141.346 -2.961 -2.285 1.00 0.00 O ATOM 300 CB GLU A 25 140.773 -5.248 -0.147 1.00 0.00 C ATOM 301 CG GLU A 25 141.270 -6.611 -0.600 1.00 0.00 C ATOM 302 CD GLU A 25 140.237 -7.371 -1.407 1.00 0.00 C ATOM 303 OE1 GLU A 25 140.072 -7.060 -2.605 1.00 0.00 O ATOM 304 OE2 GLU A 25 139.590 -8.277 -0.841 1.00 0.00 O ATOM 0 H GLU A 25 140.670 -2.429 0.075 1.00 0.00 H new ATOM 0 HA GLU A 25 142.765 -4.508 0.168 1.00 0.00 H new ATOM 0 HB2 GLU A 25 140.436 -5.319 0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 25 139.907 -4.969 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 25 142.172 -6.484 -1.199 1.00 0.00 H new ATOM 0 HG3 GLU A 25 141.548 -7.201 0.274 1.00 0.00 H new ATOM 311 N VAL A 26 143.066 -4.410 -2.321 1.00 0.00 N ATOM 312 CA VAL A 26 143.394 -4.156 -3.718 1.00 0.00 C ATOM 313 C VAL A 26 142.998 -5.336 -4.599 1.00 0.00 C ATOM 314 O VAL A 26 143.026 -6.486 -4.161 1.00 0.00 O ATOM 315 CB VAL A 26 144.898 -3.876 -3.901 1.00 0.00 C ATOM 316 CG1 VAL A 26 145.188 -3.419 -5.322 1.00 0.00 C ATOM 317 CG2 VAL A 26 145.374 -2.841 -2.892 1.00 0.00 C ATOM 0 H VAL A 26 143.667 -5.096 -1.865 1.00 0.00 H new ATOM 0 HA VAL A 26 142.829 -3.274 -4.020 1.00 0.00 H new ATOM 0 HB VAL A 26 145.446 -4.802 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 26 146.255 -3.226 -5.432 1.00 0.00 H new ATOM 0 HG12 VAL A 26 144.886 -4.197 -6.023 1.00 0.00 H new ATOM 0 HG13 VAL A 26 144.631 -2.506 -5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 26 146.438 -2.655 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 26 144.821 -1.912 -3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 145.204 -3.213 -1.882 1.00 0.00 H new ATOM 327 N LYS A 27 142.631 -5.043 -5.842 1.00 0.00 N ATOM 328 CA LYS A 27 142.230 -6.080 -6.785 1.00 0.00 C ATOM 329 C LYS A 27 143.429 -6.587 -7.579 1.00 0.00 C ATOM 330 O LYS A 27 143.642 -6.187 -8.723 1.00 0.00 O ATOM 331 CB LYS A 27 141.161 -5.544 -7.739 1.00 0.00 C ATOM 332 CG LYS A 27 139.740 -5.743 -7.235 1.00 0.00 C ATOM 333 CD LYS A 27 139.084 -6.954 -7.879 1.00 0.00 C ATOM 334 CE LYS A 27 139.179 -8.181 -6.985 1.00 0.00 C ATOM 335 NZ LYS A 27 139.457 -9.418 -7.765 1.00 0.00 N ATOM 0 H LYS A 27 142.603 -4.096 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 27 141.816 -6.913 -6.217 1.00 0.00 H new ATOM 0 HB2 LYS A 27 141.333 -4.480 -7.904 1.00 0.00 H new ATOM 0 HB3 LYS A 27 141.267 -6.038 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 27 139.751 -5.867 -6.152 1.00 0.00 H new ATOM 0 HG3 LYS A 27 139.149 -4.852 -7.448 1.00 0.00 H new ATOM 0 HD2 LYS A 27 138.037 -6.734 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 27 139.562 -7.162 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 27 139.968 -8.032 -6.248 1.00 0.00 H new ATOM 0 HE3 LYS A 27 138.246 -8.302 -6.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 139.514 -10.231 -7.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 138.692 -9.575 -8.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 140.360 -9.314 -8.271 1.00 0.00 H new ATOM 349 N GLU A 28 144.209 -7.469 -6.964 1.00 0.00 N ATOM 350 CA GLU A 28 145.388 -8.032 -7.613 1.00 0.00 C ATOM 351 C GLU A 28 145.339 -9.556 -7.602 1.00 0.00 C ATOM 352 O GLU A 28 144.374 -10.153 -7.126 1.00 0.00 O ATOM 353 CB GLU A 28 146.661 -7.544 -6.918 1.00 0.00 C ATOM 354 CG GLU A 28 147.726 -7.045 -7.879 1.00 0.00 C ATOM 355 CD GLU A 28 148.621 -5.987 -7.262 1.00 0.00 C ATOM 356 OE1 GLU A 28 148.123 -4.875 -6.987 1.00 0.00 O ATOM 357 OE2 GLU A 28 149.819 -6.271 -7.052 1.00 0.00 O ATOM 0 H GLU A 28 144.046 -7.810 -6.017 1.00 0.00 H new ATOM 0 HA GLU A 28 145.398 -7.695 -8.650 1.00 0.00 H new ATOM 0 HB2 GLU A 28 146.403 -6.742 -6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 28 147.074 -8.358 -6.322 1.00 0.00 H new ATOM 0 HG2 GLU A 28 148.337 -7.886 -8.207 1.00 0.00 H new ATOM 0 HG3 GLU A 28 147.245 -6.635 -8.767 1.00 0.00 H new ATOM 364 N ASN A 29 146.388 -10.180 -8.131 1.00 0.00 N ATOM 365 CA ASN A 29 146.464 -11.635 -8.182 1.00 0.00 C ATOM 366 C ASN A 29 146.473 -12.229 -6.774 1.00 0.00 C ATOM 367 O ASN A 29 145.597 -13.017 -6.419 1.00 0.00 O ATOM 368 CB ASN A 29 147.717 -12.075 -8.943 1.00 0.00 C ATOM 369 CG ASN A 29 147.423 -12.410 -10.393 1.00 0.00 C ATOM 370 OD1 ASN A 29 147.664 -13.530 -10.844 1.00 0.00 O ATOM 371 ND2 ASN A 29 146.902 -11.437 -11.130 1.00 0.00 N ATOM 0 H ASN A 29 147.195 -9.701 -8.530 1.00 0.00 H new ATOM 0 HA ASN A 29 145.582 -12.003 -8.706 1.00 0.00 H new ATOM 0 HB2 ASN A 29 148.463 -11.281 -8.900 1.00 0.00 H new ATOM 0 HB3 ASN A 29 148.150 -12.946 -8.452 1.00 0.00 H new ATOM 0 HD21 ASN A 29 146.685 -11.602 -12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 29 146.719 -10.524 -10.714 1.00 0.00 H new ATOM 378 N PRO A 30 147.468 -11.853 -5.951 1.00 0.00 N ATOM 379 CA PRO A 30 147.587 -12.350 -4.578 1.00 0.00 C ATOM 380 C PRO A 30 146.604 -11.669 -3.628 1.00 0.00 C ATOM 381 O PRO A 30 146.755 -10.489 -3.310 1.00 0.00 O ATOM 382 CB PRO A 30 149.025 -11.990 -4.206 1.00 0.00 C ATOM 383 CG PRO A 30 149.325 -10.773 -5.008 1.00 0.00 C ATOM 384 CD PRO A 30 148.555 -10.915 -6.295 1.00 0.00 C ATOM 0 HA PRO A 30 147.362 -13.414 -4.503 1.00 0.00 H new ATOM 0 HB2 PRO A 30 149.121 -11.795 -3.138 1.00 0.00 H new ATOM 0 HB3 PRO A 30 149.712 -12.802 -4.445 1.00 0.00 H new ATOM 0 HG2 PRO A 30 149.026 -9.871 -4.473 1.00 0.00 H new ATOM 0 HG3 PRO A 30 150.394 -10.689 -5.202 1.00 0.00 H new ATOM 0 HD2 PRO A 30 148.164 -9.956 -6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 30 149.183 -11.306 -7.096 1.00 0.00 H new ATOM 392 N PRO A 31 145.579 -12.403 -3.156 1.00 0.00 N ATOM 393 CA PRO A 31 144.575 -11.854 -2.239 1.00 0.00 C ATOM 394 C PRO A 31 145.149 -11.573 -0.854 1.00 0.00 C ATOM 395 O PRO A 31 145.083 -12.418 0.038 1.00 0.00 O ATOM 396 CB PRO A 31 143.517 -12.957 -2.165 1.00 0.00 C ATOM 397 CG PRO A 31 144.253 -14.209 -2.491 1.00 0.00 C ATOM 398 CD PRO A 31 145.317 -13.819 -3.478 1.00 0.00 C ATOM 0 HA PRO A 31 144.187 -10.897 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 31 143.068 -13.009 -1.173 1.00 0.00 H new ATOM 0 HB3 PRO A 31 142.708 -12.778 -2.873 1.00 0.00 H new ATOM 0 HG2 PRO A 31 144.693 -14.647 -1.595 1.00 0.00 H new ATOM 0 HG3 PRO A 31 143.583 -14.957 -2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 31 146.213 -14.429 -3.365 1.00 0.00 H new ATOM 0 HD3 PRO A 31 144.976 -13.941 -4.506 1.00 0.00 H new ATOM 406 N PHE A 32 145.712 -10.382 -0.683 1.00 0.00 N ATOM 407 CA PHE A 32 146.298 -9.990 0.593 1.00 0.00 C ATOM 408 C PHE A 32 145.431 -8.947 1.292 1.00 0.00 C ATOM 409 O PHE A 32 144.494 -8.408 0.703 1.00 0.00 O ATOM 410 CB PHE A 32 147.709 -9.437 0.382 1.00 0.00 C ATOM 411 CG PHE A 32 147.801 -8.437 -0.735 1.00 0.00 C ATOM 412 CD1 PHE A 32 147.149 -7.218 -0.646 1.00 0.00 C ATOM 413 CD2 PHE A 32 148.541 -8.716 -1.873 1.00 0.00 C ATOM 414 CE1 PHE A 32 147.233 -6.295 -1.672 1.00 0.00 C ATOM 415 CE2 PHE A 32 148.628 -7.799 -2.902 1.00 0.00 C ATOM 416 CZ PHE A 32 147.973 -6.586 -2.801 1.00 0.00 C ATOM 0 H PHE A 32 145.775 -9.671 -1.412 1.00 0.00 H new ATOM 0 HA PHE A 32 146.353 -10.875 1.226 1.00 0.00 H new ATOM 0 HB2 PHE A 32 148.049 -8.970 1.306 1.00 0.00 H new ATOM 0 HB3 PHE A 32 148.388 -10.264 0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 32 146.569 -6.986 0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 32 149.056 -9.662 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 32 146.721 -5.348 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 32 149.207 -8.029 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 32 148.040 -5.867 -3.604 1.00 0.00 H new ATOM 426 N TYR A 33 145.750 -8.668 2.552 1.00 0.00 N ATOM 427 CA TYR A 33 145.000 -7.690 3.332 1.00 0.00 C ATOM 428 C TYR A 33 145.940 -6.694 4.004 1.00 0.00 C ATOM 429 O TYR A 33 146.852 -7.081 4.734 1.00 0.00 O ATOM 430 CB TYR A 33 144.147 -8.395 4.388 1.00 0.00 C ATOM 431 CG TYR A 33 142.780 -8.803 3.888 1.00 0.00 C ATOM 432 CD1 TYR A 33 141.996 -7.922 3.154 1.00 0.00 C ATOM 433 CD2 TYR A 33 142.273 -10.070 4.151 1.00 0.00 C ATOM 434 CE1 TYR A 33 140.746 -8.291 2.696 1.00 0.00 C ATOM 435 CE2 TYR A 33 141.023 -10.447 3.696 1.00 0.00 C ATOM 436 CZ TYR A 33 140.264 -9.554 2.970 1.00 0.00 C ATOM 437 OH TYR A 33 139.019 -9.926 2.514 1.00 0.00 O ATOM 0 H TYR A 33 146.523 -9.105 3.054 1.00 0.00 H new ATOM 0 HA TYR A 33 144.346 -7.144 2.652 1.00 0.00 H new ATOM 0 HB2 TYR A 33 144.676 -9.281 4.738 1.00 0.00 H new ATOM 0 HB3 TYR A 33 144.028 -7.735 5.247 1.00 0.00 H new ATOM 0 HD1 TYR A 33 142.370 -6.932 2.938 1.00 0.00 H new ATOM 0 HD2 TYR A 33 142.865 -10.771 4.720 1.00 0.00 H new ATOM 0 HE1 TYR A 33 140.149 -7.594 2.126 1.00 0.00 H new ATOM 0 HE2 TYR A 33 140.643 -11.436 3.908 1.00 0.00 H new ATOM 0 HH TYR A 33 138.831 -10.847 2.792 1.00 0.00 H new ATOM 447 N GLY A 34 145.710 -5.410 3.751 1.00 0.00 N ATOM 448 CA GLY A 34 146.544 -4.378 4.337 1.00 0.00 C ATOM 449 C GLY A 34 145.757 -3.138 4.711 1.00 0.00 C ATOM 450 O GLY A 34 144.578 -3.019 4.378 1.00 0.00 O ATOM 0 H GLY A 34 144.961 -5.066 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 34 147.036 -4.774 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 34 147.330 -4.107 3.632 1.00 0.00 H new ATOM 454 N VAL A 35 146.409 -2.212 5.406 1.00 0.00 N ATOM 455 CA VAL A 35 145.764 -0.974 5.827 1.00 0.00 C ATOM 456 C VAL A 35 146.453 0.240 5.212 1.00 0.00 C ATOM 457 O VAL A 35 147.668 0.241 5.013 1.00 0.00 O ATOM 458 CB VAL A 35 145.763 -0.835 7.362 1.00 0.00 C ATOM 459 CG1 VAL A 35 147.187 -0.811 7.901 1.00 0.00 C ATOM 460 CG2 VAL A 35 145.001 0.411 7.788 1.00 0.00 C ATOM 0 H VAL A 35 147.385 -2.296 5.690 1.00 0.00 H new ATOM 0 HA VAL A 35 144.733 -1.017 5.476 1.00 0.00 H new ATOM 0 HB VAL A 35 145.256 -1.703 7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 35 147.164 -0.712 8.986 1.00 0.00 H new ATOM 0 HG12 VAL A 35 147.694 -1.738 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 35 147.724 0.034 7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 35 145.012 0.490 8.875 1.00 0.00 H new ATOM 0 HG22 VAL A 35 145.474 1.292 7.355 1.00 0.00 H new ATOM 0 HG23 VAL A 35 143.970 0.344 7.440 1.00 0.00 H new ATOM 470 N ILE A 36 145.670 1.271 4.913 1.00 0.00 N ATOM 471 CA ILE A 36 146.207 2.491 4.322 1.00 0.00 C ATOM 472 C ILE A 36 147.127 3.214 5.300 1.00 0.00 C ATOM 473 O ILE A 36 146.803 3.363 6.478 1.00 0.00 O ATOM 474 CB ILE A 36 145.080 3.449 3.888 1.00 0.00 C ATOM 475 CG1 ILE A 36 144.064 2.715 3.011 1.00 0.00 C ATOM 476 CG2 ILE A 36 145.658 4.648 3.147 1.00 0.00 C ATOM 477 CD1 ILE A 36 142.904 3.583 2.573 1.00 0.00 C ATOM 0 H ILE A 36 144.662 1.286 5.070 1.00 0.00 H new ATOM 0 HA ILE A 36 146.777 2.193 3.442 1.00 0.00 H new ATOM 0 HB ILE A 36 144.568 3.809 4.780 1.00 0.00 H new ATOM 0 HG12 ILE A 36 144.572 2.328 2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 36 143.677 1.855 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 36 144.850 5.315 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 36 146.346 5.183 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 36 146.193 4.305 2.261 1.00 0.00 H new ATOM 0 HD11 ILE A 36 142.224 2.997 1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 36 142.372 3.949 3.451 1.00 0.00 H new ATOM 0 HD13 ILE A 36 143.280 4.429 1.997 1.00 0.00 H new ATOM 489 N ARG A 37 148.276 3.661 4.804 1.00 0.00 N ATOM 490 CA ARG A 37 149.245 4.367 5.633 1.00 0.00 C ATOM 491 C ARG A 37 149.477 5.782 5.116 1.00 0.00 C ATOM 492 O ARG A 37 149.185 6.761 5.804 1.00 0.00 O ATOM 493 CB ARG A 37 150.569 3.602 5.672 1.00 0.00 C ATOM 494 CG ARG A 37 150.404 2.115 5.937 1.00 0.00 C ATOM 495 CD ARG A 37 150.291 1.823 7.424 1.00 0.00 C ATOM 496 NE ARG A 37 149.079 2.397 8.006 1.00 0.00 N ATOM 497 CZ ARG A 37 148.908 2.602 9.309 1.00 0.00 C ATOM 498 NH1 ARG A 37 149.866 2.280 10.170 1.00 0.00 N ATOM 499 NH2 ARG A 37 147.775 3.129 9.754 1.00 0.00 N ATOM 0 H ARG A 37 148.559 3.546 3.831 1.00 0.00 H new ATOM 0 HA ARG A 37 148.841 4.431 6.643 1.00 0.00 H new ATOM 0 HB2 ARG A 37 151.086 3.738 4.722 1.00 0.00 H new ATOM 0 HB3 ARG A 37 151.205 4.032 6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 37 149.514 1.750 5.425 1.00 0.00 H new ATOM 0 HG3 ARG A 37 151.255 1.574 5.523 1.00 0.00 H new ATOM 0 HD2 ARG A 37 150.293 0.745 7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 37 151.165 2.223 7.939 1.00 0.00 H new ATOM 0 HE ARG A 37 148.320 2.655 7.376 1.00 0.00 H new ATOM 0 HH11 ARG A 37 150.739 1.873 9.833 1.00 0.00 H new ATOM 0 HH12 ARG A 37 149.729 2.439 11.168 1.00 0.00 H new ATOM 0 HH21 ARG A 37 147.035 3.377 9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 37 147.644 3.286 10.753 1.00 0.00 H new ATOM 513 N TRP A 38 150.004 5.886 3.900 1.00 0.00 N ATOM 514 CA TRP A 38 150.274 7.185 3.294 1.00 0.00 C ATOM 515 C TRP A 38 149.557 7.323 1.954 1.00 0.00 C ATOM 516 O TRP A 38 149.618 6.430 1.110 1.00 0.00 O ATOM 517 CB TRP A 38 151.783 7.382 3.104 1.00 0.00 C ATOM 518 CG TRP A 38 152.128 8.579 2.267 1.00 0.00 C ATOM 519 CD1 TRP A 38 152.387 9.844 2.710 1.00 0.00 C ATOM 520 CD2 TRP A 38 152.247 8.620 0.840 1.00 0.00 C ATOM 521 NE1 TRP A 38 152.659 10.670 1.646 1.00 0.00 N ATOM 522 CE2 TRP A 38 152.579 9.941 0.486 1.00 0.00 C ATOM 523 CE3 TRP A 38 152.104 7.668 -0.174 1.00 0.00 C ATOM 524 CZ2 TRP A 38 152.771 10.333 -0.836 1.00 0.00 C ATOM 525 CZ3 TRP A 38 152.296 8.057 -1.486 1.00 0.00 C ATOM 526 CH2 TRP A 38 152.625 9.380 -1.807 1.00 0.00 C ATOM 0 H TRP A 38 150.252 5.088 3.316 1.00 0.00 H new ATOM 0 HA TRP A 38 149.897 7.955 3.967 1.00 0.00 H new ATOM 0 HB2 TRP A 38 152.254 7.484 4.082 1.00 0.00 H new ATOM 0 HB3 TRP A 38 152.203 6.490 2.639 1.00 0.00 H new ATOM 0 HD1 TRP A 38 152.379 10.151 3.745 1.00 0.00 H new ATOM 0 HE1 TRP A 38 152.884 11.663 1.708 1.00 0.00 H new ATOM 0 HE3 TRP A 38 151.848 6.646 0.064 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 153.026 11.352 -1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 152.191 7.329 -2.277 1.00 0.00 H new ATOM 0 HH2 TRP A 38 152.766 9.654 -2.842 1.00 0.00 H new ATOM 537 N ILE A 39 148.889 8.456 1.765 1.00 0.00 N ATOM 538 CA ILE A 39 148.169 8.727 0.528 1.00 0.00 C ATOM 539 C ILE A 39 148.631 10.044 -0.083 1.00 0.00 C ATOM 540 O ILE A 39 148.297 11.119 0.414 1.00 0.00 O ATOM 541 CB ILE A 39 146.647 8.785 0.762 1.00 0.00 C ATOM 542 CG1 ILE A 39 146.181 7.562 1.554 1.00 0.00 C ATOM 543 CG2 ILE A 39 145.911 8.876 -0.567 1.00 0.00 C ATOM 544 CD1 ILE A 39 144.818 7.736 2.187 1.00 0.00 C ATOM 0 H ILE A 39 148.832 9.204 2.456 1.00 0.00 H new ATOM 0 HA ILE A 39 148.386 7.908 -0.158 1.00 0.00 H new ATOM 0 HB ILE A 39 146.418 9.677 1.344 1.00 0.00 H new ATOM 0 HG12 ILE A 39 146.157 6.697 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 39 146.910 7.345 2.335 1.00 0.00 H new ATOM 0 HG21 ILE A 39 144.837 8.916 -0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 39 146.224 9.777 -1.095 1.00 0.00 H new ATOM 0 HG23 ILE A 39 146.144 8.000 -1.173 1.00 0.00 H new ATOM 0 HD11 ILE A 39 144.552 6.830 2.732 1.00 0.00 H new ATOM 0 HD12 ILE A 39 144.842 8.581 2.876 1.00 0.00 H new ATOM 0 HD13 ILE A 39 144.077 7.923 1.410 1.00 0.00 H new ATOM 556 N GLY A 40 149.407 9.955 -1.159 1.00 0.00 N ATOM 557 CA GLY A 40 149.906 11.152 -1.808 1.00 0.00 C ATOM 558 C GLY A 40 150.448 10.884 -3.197 1.00 0.00 C ATOM 559 O GLY A 40 150.274 9.794 -3.742 1.00 0.00 O ATOM 0 H GLY A 40 149.698 9.078 -1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 40 149.103 11.887 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 40 150.693 11.591 -1.195 1.00 0.00 H new ATOM 563 N GLN A 41 151.109 11.884 -3.769 1.00 0.00 N ATOM 564 CA GLN A 41 151.683 11.763 -5.103 1.00 0.00 C ATOM 565 C GLN A 41 153.162 12.148 -5.090 1.00 0.00 C ATOM 566 O GLN A 41 153.506 13.302 -4.830 1.00 0.00 O ATOM 567 CB GLN A 41 150.919 12.654 -6.082 1.00 0.00 C ATOM 568 CG GLN A 41 149.411 12.488 -6.004 1.00 0.00 C ATOM 569 CD GLN A 41 148.672 13.804 -6.138 1.00 0.00 C ATOM 570 OE1 GLN A 41 148.635 14.607 -5.206 1.00 0.00 O ATOM 571 NE2 GLN A 41 148.077 14.033 -7.304 1.00 0.00 N ATOM 0 H GLN A 41 151.261 12.791 -3.327 1.00 0.00 H new ATOM 0 HA GLN A 41 151.599 10.725 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 41 151.172 13.696 -5.886 1.00 0.00 H new ATOM 0 HB3 GLN A 41 151.249 12.431 -7.097 1.00 0.00 H new ATOM 0 HG2 GLN A 41 149.083 11.809 -6.791 1.00 0.00 H new ATOM 0 HG3 GLN A 41 149.149 12.024 -5.053 1.00 0.00 H new ATOM 0 HE21 GLN A 41 148.133 13.340 -8.050 1.00 0.00 H new ATOM 0 HE22 GLN A 41 147.564 14.902 -7.453 1.00 0.00 H new ATOM 580 N PRO A 42 154.062 11.187 -5.368 1.00 0.00 N ATOM 581 CA PRO A 42 155.507 11.441 -5.381 1.00 0.00 C ATOM 582 C PRO A 42 155.892 12.546 -6.360 1.00 0.00 C ATOM 583 O PRO A 42 155.139 12.859 -7.283 1.00 0.00 O ATOM 584 CB PRO A 42 156.107 10.102 -5.822 1.00 0.00 C ATOM 585 CG PRO A 42 155.065 9.090 -5.491 1.00 0.00 C ATOM 586 CD PRO A 42 153.749 9.784 -5.689 1.00 0.00 C ATOM 0 HA PRO A 42 155.867 11.781 -4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 42 156.334 10.102 -6.888 1.00 0.00 H new ATOM 0 HB3 PRO A 42 157.040 9.895 -5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 42 155.148 8.216 -6.137 1.00 0.00 H new ATOM 0 HG3 PRO A 42 155.172 8.739 -4.465 1.00 0.00 H new ATOM 0 HD2 PRO A 42 153.385 9.675 -6.711 1.00 0.00 H new ATOM 0 HD3 PRO A 42 152.978 9.382 -5.032 1.00 0.00 H new ATOM 594 N PRO A 43 157.076 13.153 -6.172 1.00 0.00 N ATOM 595 CA PRO A 43 157.559 14.227 -7.043 1.00 0.00 C ATOM 596 C PRO A 43 157.974 13.715 -8.417 1.00 0.00 C ATOM 597 O PRO A 43 159.140 13.389 -8.642 1.00 0.00 O ATOM 598 CB PRO A 43 158.771 14.776 -6.291 1.00 0.00 C ATOM 599 CG PRO A 43 159.256 13.633 -5.468 1.00 0.00 C ATOM 600 CD PRO A 43 158.034 12.839 -5.096 1.00 0.00 C ATOM 0 HA PRO A 43 156.787 14.972 -7.237 1.00 0.00 H new ATOM 0 HB2 PRO A 43 159.541 15.122 -6.980 1.00 0.00 H new ATOM 0 HB3 PRO A 43 158.497 15.626 -5.666 1.00 0.00 H new ATOM 0 HG2 PRO A 43 159.963 13.021 -6.029 1.00 0.00 H new ATOM 0 HG3 PRO A 43 159.777 13.987 -4.578 1.00 0.00 H new ATOM 0 HD2 PRO A 43 158.248 11.771 -5.049 1.00 0.00 H new ATOM 0 HD3 PRO A 43 157.649 13.130 -4.119 1.00 0.00 H new ATOM 608 N GLY A 44 157.015 13.646 -9.332 1.00 0.00 N ATOM 609 CA GLY A 44 157.304 13.172 -10.672 1.00 0.00 C ATOM 610 C GLY A 44 156.071 12.647 -11.380 1.00 0.00 C ATOM 611 O GLY A 44 155.783 13.041 -12.510 1.00 0.00 O ATOM 0 H GLY A 44 156.043 13.910 -9.170 1.00 0.00 H new ATOM 0 HA2 GLY A 44 157.736 13.985 -11.256 1.00 0.00 H new ATOM 0 HA3 GLY A 44 158.054 12.382 -10.621 1.00 0.00 H new ATOM 615 N LEU A 45 155.344 11.756 -10.716 1.00 0.00 N ATOM 616 CA LEU A 45 154.136 11.177 -11.291 1.00 0.00 C ATOM 617 C LEU A 45 152.926 11.462 -10.410 1.00 0.00 C ATOM 618 O LEU A 45 152.826 10.948 -9.296 1.00 0.00 O ATOM 619 CB LEU A 45 154.307 9.668 -11.472 1.00 0.00 C ATOM 620 CG LEU A 45 154.840 8.927 -10.245 1.00 0.00 C ATOM 621 CD1 LEU A 45 154.467 7.451 -10.307 1.00 0.00 C ATOM 622 CD2 LEU A 45 156.350 9.096 -10.132 1.00 0.00 C ATOM 0 H LEU A 45 155.570 11.419 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 45 153.969 11.636 -12.265 1.00 0.00 H new ATOM 0 HB2 LEU A 45 153.344 9.239 -11.747 1.00 0.00 H new ATOM 0 HB3 LEU A 45 154.985 9.492 -12.307 1.00 0.00 H new ATOM 0 HG LEU A 45 154.380 9.359 -9.356 1.00 0.00 H new ATOM 0 HD11 LEU A 45 154.855 6.940 -9.426 1.00 0.00 H new ATOM 0 HD12 LEU A 45 153.382 7.351 -10.336 1.00 0.00 H new ATOM 0 HD13 LEU A 45 154.897 7.004 -11.204 1.00 0.00 H new ATOM 0 HD21 LEU A 45 156.711 8.562 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 45 156.829 8.693 -11.024 1.00 0.00 H new ATOM 0 HD23 LEU A 45 156.592 10.155 -10.038 1.00 0.00 H new ATOM 634 N ASN A 46 152.008 12.282 -10.911 1.00 0.00 N ATOM 635 CA ASN A 46 150.810 12.622 -10.156 1.00 0.00 C ATOM 636 C ASN A 46 149.846 11.443 -10.124 1.00 0.00 C ATOM 637 O ASN A 46 149.218 11.110 -11.130 1.00 0.00 O ATOM 638 CB ASN A 46 150.123 13.843 -10.773 1.00 0.00 C ATOM 639 CG ASN A 46 149.380 14.670 -9.743 1.00 0.00 C ATOM 640 OD1 ASN A 46 149.955 15.100 -8.743 1.00 0.00 O ATOM 641 ND2 ASN A 46 148.095 14.900 -9.984 1.00 0.00 N ATOM 0 H ASN A 46 152.071 12.720 -11.830 1.00 0.00 H new ATOM 0 HA ASN A 46 151.104 12.860 -9.134 1.00 0.00 H new ATOM 0 HB2 ASN A 46 150.869 14.466 -11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 46 149.425 13.513 -11.543 1.00 0.00 H new ATOM 0 HD21 ASN A 46 147.544 15.453 -9.327 1.00 0.00 H new ATOM 0 HD22 ASN A 46 147.659 14.524 -10.826 1.00 0.00 H new ATOM 648 N GLU A 47 149.734 10.813 -8.961 1.00 0.00 N ATOM 649 CA GLU A 47 148.848 9.668 -8.790 1.00 0.00 C ATOM 650 C GLU A 47 148.661 9.345 -7.312 1.00 0.00 C ATOM 651 O GLU A 47 149.627 9.062 -6.604 1.00 0.00 O ATOM 652 CB GLU A 47 149.405 8.446 -9.525 1.00 0.00 C ATOM 653 CG GLU A 47 150.918 8.314 -9.439 1.00 0.00 C ATOM 654 CD GLU A 47 151.479 7.357 -10.472 1.00 0.00 C ATOM 655 OE1 GLU A 47 151.460 7.702 -11.672 1.00 0.00 O ATOM 656 OE2 GLU A 47 151.937 6.263 -10.082 1.00 0.00 O ATOM 0 H GLU A 47 150.247 11.077 -8.120 1.00 0.00 H new ATOM 0 HA GLU A 47 147.878 9.925 -9.215 1.00 0.00 H new ATOM 0 HB2 GLU A 47 148.947 7.546 -9.113 1.00 0.00 H new ATOM 0 HB3 GLU A 47 149.114 8.501 -10.574 1.00 0.00 H new ATOM 0 HG2 GLU A 47 151.373 9.295 -9.573 1.00 0.00 H new ATOM 0 HG3 GLU A 47 151.193 7.969 -8.442 1.00 0.00 H new ATOM 663 N VAL A 48 147.416 9.382 -6.851 1.00 0.00 N ATOM 664 CA VAL A 48 147.116 9.085 -5.457 1.00 0.00 C ATOM 665 C VAL A 48 147.475 7.642 -5.124 1.00 0.00 C ATOM 666 O VAL A 48 146.726 6.717 -5.438 1.00 0.00 O ATOM 667 CB VAL A 48 145.629 9.320 -5.137 1.00 0.00 C ATOM 668 CG1 VAL A 48 145.378 9.198 -3.642 1.00 0.00 C ATOM 669 CG2 VAL A 48 145.180 10.679 -5.652 1.00 0.00 C ATOM 0 H VAL A 48 146.602 9.614 -7.420 1.00 0.00 H new ATOM 0 HA VAL A 48 147.717 9.761 -4.849 1.00 0.00 H new ATOM 0 HB VAL A 48 145.042 8.554 -5.643 1.00 0.00 H new ATOM 0 HG11 VAL A 48 144.321 9.367 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 48 145.658 8.199 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 48 145.975 9.940 -3.111 1.00 0.00 H new ATOM 0 HG21 VAL A 48 144.126 10.827 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 48 145.772 11.462 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 48 145.320 10.723 -6.732 1.00 0.00 H new ATOM 679 N LEU A 49 148.629 7.455 -4.492 1.00 0.00 N ATOM 680 CA LEU A 49 149.088 6.123 -4.122 1.00 0.00 C ATOM 681 C LEU A 49 148.955 5.904 -2.621 1.00 0.00 C ATOM 682 O LEU A 49 149.633 6.554 -1.825 1.00 0.00 O ATOM 683 CB LEU A 49 150.544 5.923 -4.550 1.00 0.00 C ATOM 684 CG LEU A 49 150.801 6.069 -6.051 1.00 0.00 C ATOM 685 CD1 LEU A 49 152.275 6.335 -6.317 1.00 0.00 C ATOM 686 CD2 LEU A 49 150.342 4.822 -6.793 1.00 0.00 C ATOM 0 H LEU A 49 149.262 8.209 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 49 148.463 5.394 -4.637 1.00 0.00 H new ATOM 0 HB2 LEU A 49 151.166 6.643 -4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 49 150.866 4.930 -4.236 1.00 0.00 H new ATOM 0 HG LEU A 49 150.227 6.920 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 49 152.439 6.436 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 49 152.575 7.255 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 49 152.869 5.504 -5.936 1.00 0.00 H new ATOM 0 HD21 LEU A 49 150.532 4.943 -7.860 1.00 0.00 H new ATOM 0 HD22 LEU A 49 150.890 3.956 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 49 149.275 4.673 -6.629 1.00 0.00 H new ATOM 698 N ALA A 50 148.077 4.984 -2.240 1.00 0.00 N ATOM 699 CA ALA A 50 147.856 4.682 -0.832 1.00 0.00 C ATOM 700 C ALA A 50 148.756 3.542 -0.369 1.00 0.00 C ATOM 701 O ALA A 50 148.624 2.408 -0.830 1.00 0.00 O ATOM 702 CB ALA A 50 146.395 4.337 -0.589 1.00 0.00 C ATOM 0 H ALA A 50 147.508 4.436 -2.885 1.00 0.00 H new ATOM 0 HA ALA A 50 148.109 5.569 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 50 146.245 4.114 0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 50 145.769 5.183 -0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 50 146.122 3.467 -1.186 1.00 0.00 H new ATOM 708 N GLY A 51 149.671 3.850 0.545 1.00 0.00 N ATOM 709 CA GLY A 51 150.578 2.839 1.056 1.00 0.00 C ATOM 710 C GLY A 51 149.878 1.821 1.933 1.00 0.00 C ATOM 711 O GLY A 51 149.350 2.162 2.991 1.00 0.00 O ATOM 0 H GLY A 51 149.800 4.781 0.941 1.00 0.00 H new ATOM 0 HA2 GLY A 51 151.054 2.327 0.220 1.00 0.00 H new ATOM 0 HA3 GLY A 51 151.371 3.322 1.627 1.00 0.00 H new ATOM 715 N LEU A 52 149.873 0.567 1.494 1.00 0.00 N ATOM 716 CA LEU A 52 149.232 -0.504 2.247 1.00 0.00 C ATOM 717 C LEU A 52 150.270 -1.379 2.943 1.00 0.00 C ATOM 718 O LEU A 52 151.305 -1.710 2.364 1.00 0.00 O ATOM 719 CB LEU A 52 148.365 -1.360 1.322 1.00 0.00 C ATOM 720 CG LEU A 52 147.140 -0.650 0.742 1.00 0.00 C ATOM 721 CD1 LEU A 52 146.534 -1.469 -0.388 1.00 0.00 C ATOM 722 CD2 LEU A 52 146.108 -0.394 1.830 1.00 0.00 C ATOM 0 H LEU A 52 150.306 0.268 0.620 1.00 0.00 H new ATOM 0 HA LEU A 52 148.599 -0.048 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 52 148.983 -1.717 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 52 148.030 -2.238 1.873 1.00 0.00 H new ATOM 0 HG LEU A 52 147.458 0.311 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 52 145.664 -0.949 -0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 52 147.273 -1.601 -1.178 1.00 0.00 H new ATOM 0 HD13 LEU A 52 146.230 -2.444 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 52 145.244 0.112 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 52 145.794 -1.343 2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 52 146.546 0.233 2.606 1.00 0.00 H new ATOM 734 N GLU A 53 149.985 -1.750 4.187 1.00 0.00 N ATOM 735 CA GLU A 53 150.892 -2.587 4.962 1.00 0.00 C ATOM 736 C GLU A 53 150.367 -4.015 5.058 1.00 0.00 C ATOM 737 O GLU A 53 149.392 -4.282 5.759 1.00 0.00 O ATOM 738 CB GLU A 53 151.084 -2.006 6.365 1.00 0.00 C ATOM 739 CG GLU A 53 152.053 -2.799 7.225 1.00 0.00 C ATOM 740 CD GLU A 53 151.694 -2.758 8.697 1.00 0.00 C ATOM 741 OE1 GLU A 53 150.510 -2.518 9.013 1.00 0.00 O ATOM 742 OE2 GLU A 53 152.597 -2.965 9.535 1.00 0.00 O ATOM 0 H GLU A 53 149.132 -1.484 4.680 1.00 0.00 H new ATOM 0 HA GLU A 53 151.854 -2.607 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 53 151.444 -0.981 6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 53 150.117 -1.963 6.867 1.00 0.00 H new ATOM 0 HG2 GLU A 53 152.068 -3.835 6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 53 153.060 -2.405 7.089 1.00 0.00 H new ATOM 749 N LEU A 54 151.021 -4.929 4.348 1.00 0.00 N ATOM 750 CA LEU A 54 150.618 -6.331 4.353 1.00 0.00 C ATOM 751 C LEU A 54 150.983 -6.997 5.676 1.00 0.00 C ATOM 752 O LEU A 54 152.069 -6.783 6.212 1.00 0.00 O ATOM 753 CB LEU A 54 151.282 -7.078 3.194 1.00 0.00 C ATOM 754 CG LEU A 54 151.184 -6.382 1.835 1.00 0.00 C ATOM 755 CD1 LEU A 54 152.187 -6.976 0.859 1.00 0.00 C ATOM 756 CD2 LEU A 54 149.771 -6.491 1.283 1.00 0.00 C ATOM 0 H LEU A 54 151.831 -4.724 3.763 1.00 0.00 H new ATOM 0 HA LEU A 54 149.536 -6.372 4.232 1.00 0.00 H new ATOM 0 HB2 LEU A 54 152.335 -7.227 3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 54 150.830 -8.067 3.112 1.00 0.00 H new ATOM 0 HG LEU A 54 151.420 -5.326 1.969 1.00 0.00 H new ATOM 0 HD11 LEU A 54 152.103 -6.469 -0.102 1.00 0.00 H new ATOM 0 HD12 LEU A 54 153.196 -6.847 1.251 1.00 0.00 H new ATOM 0 HD13 LEU A 54 151.982 -8.038 0.728 1.00 0.00 H new ATOM 0 HD21 LEU A 54 149.719 -5.991 0.316 1.00 0.00 H new ATOM 0 HD22 LEU A 54 149.507 -7.542 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 54 149.073 -6.019 1.974 1.00 0.00 H new ATOM 768 N GLU A 55 150.065 -7.806 6.197 1.00 0.00 N ATOM 769 CA GLU A 55 150.290 -8.504 7.458 1.00 0.00 C ATOM 770 C GLU A 55 151.347 -9.593 7.295 1.00 0.00 C ATOM 771 O GLU A 55 152.090 -9.894 8.229 1.00 0.00 O ATOM 772 CB GLU A 55 148.983 -9.117 7.965 1.00 0.00 C ATOM 773 CG GLU A 55 147.843 -8.118 8.067 1.00 0.00 C ATOM 774 CD GLU A 55 147.017 -8.302 9.326 1.00 0.00 C ATOM 775 OE1 GLU A 55 147.071 -9.401 9.916 1.00 0.00 O ATOM 776 OE2 GLU A 55 146.318 -7.346 9.722 1.00 0.00 O ATOM 0 H GLU A 55 149.160 -7.994 5.766 1.00 0.00 H new ATOM 0 HA GLU A 55 150.650 -7.779 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 55 148.688 -9.926 7.297 1.00 0.00 H new ATOM 0 HB3 GLU A 55 149.156 -9.560 8.946 1.00 0.00 H new ATOM 0 HG2 GLU A 55 148.248 -7.106 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 55 147.197 -8.219 7.195 1.00 0.00 H new ATOM 783 N ASP A 56 151.406 -10.179 6.103 1.00 0.00 N ATOM 784 CA ASP A 56 152.372 -11.234 5.818 1.00 0.00 C ATOM 785 C ASP A 56 153.664 -10.651 5.256 1.00 0.00 C ATOM 786 O ASP A 56 153.650 -9.931 4.258 1.00 0.00 O ATOM 787 CB ASP A 56 151.781 -12.241 4.830 1.00 0.00 C ATOM 788 CG ASP A 56 150.691 -13.091 5.453 1.00 0.00 C ATOM 789 OD1 ASP A 56 150.759 -13.342 6.674 1.00 0.00 O ATOM 790 OD2 ASP A 56 149.769 -13.504 4.718 1.00 0.00 O ATOM 0 H ASP A 56 150.797 -9.941 5.320 1.00 0.00 H new ATOM 0 HA ASP A 56 152.602 -11.745 6.753 1.00 0.00 H new ATOM 0 HB2 ASP A 56 151.375 -11.707 3.971 1.00 0.00 H new ATOM 0 HB3 ASP A 56 152.575 -12.889 4.457 1.00 0.00 H new ATOM 795 N GLU A 57 154.781 -10.966 5.905 1.00 0.00 N ATOM 796 CA GLU A 57 156.083 -10.474 5.470 1.00 0.00 C ATOM 797 C GLU A 57 156.427 -10.999 4.080 1.00 0.00 C ATOM 798 O GLU A 57 156.851 -12.145 3.927 1.00 0.00 O ATOM 799 CB GLU A 57 157.167 -10.886 6.467 1.00 0.00 C ATOM 800 CG GLU A 57 157.113 -10.116 7.776 1.00 0.00 C ATOM 801 CD GLU A 57 157.985 -10.733 8.852 1.00 0.00 C ATOM 802 OE1 GLU A 57 158.086 -11.977 8.892 1.00 0.00 O ATOM 803 OE2 GLU A 57 158.567 -9.973 9.653 1.00 0.00 O ATOM 0 H GLU A 57 154.810 -11.560 6.734 1.00 0.00 H new ATOM 0 HA GLU A 57 156.036 -9.386 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 57 157.070 -11.951 6.677 1.00 0.00 H new ATOM 0 HB3 GLU A 57 158.145 -10.739 6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 57 157.430 -9.088 7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 57 156.082 -10.076 8.128 1.00 0.00 H new ATOM 810 N CYS A 58 156.242 -10.156 3.070 1.00 0.00 N ATOM 811 CA CYS A 58 156.533 -10.535 1.693 1.00 0.00 C ATOM 812 C CYS A 58 157.946 -10.114 1.300 1.00 0.00 C ATOM 813 O CYS A 58 158.303 -8.939 1.397 1.00 0.00 O ATOM 814 CB CYS A 58 155.516 -9.904 0.742 1.00 0.00 C ATOM 815 SG CYS A 58 154.053 -10.924 0.443 1.00 0.00 S ATOM 0 H CYS A 58 155.891 -9.204 3.180 1.00 0.00 H new ATOM 0 HA CYS A 58 156.463 -11.620 1.619 1.00 0.00 H new ATOM 0 HB2 CYS A 58 155.199 -8.944 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 58 156.004 -9.699 -0.211 1.00 0.00 H new ATOM 0 HG CYS A 58 153.251 -10.305 -0.371 1.00 0.00 H new ATOM 821 N ALA A 59 158.744 -11.079 0.855 1.00 0.00 N ATOM 822 CA ALA A 59 160.117 -10.807 0.448 1.00 0.00 C ATOM 823 C ALA A 59 160.156 -9.970 -0.826 1.00 0.00 C ATOM 824 O ALA A 59 159.813 -10.450 -1.907 1.00 0.00 O ATOM 825 CB ALA A 59 160.876 -12.111 0.249 1.00 0.00 C ATOM 0 H ALA A 59 158.463 -12.056 0.767 1.00 0.00 H new ATOM 0 HA ALA A 59 160.599 -10.236 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 59 161.900 -11.893 -0.055 1.00 0.00 H new ATOM 0 HB2 ALA A 59 160.886 -12.672 1.183 1.00 0.00 H new ATOM 0 HB3 ALA A 59 160.386 -12.703 -0.524 1.00 0.00 H new ATOM 831 N GLY A 60 160.576 -8.716 -0.692 1.00 0.00 N ATOM 832 CA GLY A 60 160.651 -7.832 -1.840 1.00 0.00 C ATOM 833 C GLY A 60 160.053 -6.468 -1.563 1.00 0.00 C ATOM 834 O GLY A 60 160.466 -5.470 -2.152 1.00 0.00 O ATOM 0 H GLY A 60 160.866 -8.296 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 60 161.693 -7.715 -2.136 1.00 0.00 H new ATOM 0 HA3 GLY A 60 160.130 -8.289 -2.681 1.00 0.00 H new ATOM 838 N CYS A 61 159.074 -6.425 -0.664 1.00 0.00 N ATOM 839 CA CYS A 61 158.416 -5.173 -0.311 1.00 0.00 C ATOM 840 C CYS A 61 159.344 -4.284 0.510 1.00 0.00 C ATOM 841 O CYS A 61 160.455 -4.683 0.860 1.00 0.00 O ATOM 842 CB CYS A 61 157.132 -5.451 0.472 1.00 0.00 C ATOM 843 SG CYS A 61 156.021 -6.631 -0.329 1.00 0.00 S ATOM 0 H CYS A 61 158.720 -7.243 -0.168 1.00 0.00 H new ATOM 0 HA CYS A 61 158.164 -4.650 -1.234 1.00 0.00 H new ATOM 0 HB2 CYS A 61 157.396 -5.829 1.460 1.00 0.00 H new ATOM 0 HB3 CYS A 61 156.600 -4.512 0.622 1.00 0.00 H new ATOM 0 HG CYS A 61 154.791 -6.236 -0.184 1.00 0.00 H new ATOM 849 N THR A 62 158.881 -3.076 0.816 1.00 0.00 N ATOM 850 CA THR A 62 159.669 -2.129 1.596 1.00 0.00 C ATOM 851 C THR A 62 159.163 -2.056 3.034 1.00 0.00 C ATOM 852 O THR A 62 158.177 -2.701 3.389 1.00 0.00 O ATOM 853 CB THR A 62 159.619 -0.742 0.955 1.00 0.00 C ATOM 854 OG1 THR A 62 158.314 -0.454 0.483 1.00 0.00 O ATOM 855 CG2 THR A 62 160.573 -0.585 -0.208 1.00 0.00 C ATOM 0 H THR A 62 157.963 -2.730 0.535 1.00 0.00 H new ATOM 0 HA THR A 62 160.702 -2.478 1.610 1.00 0.00 H new ATOM 0 HB THR A 62 159.916 -0.049 1.743 1.00 0.00 H new ATOM 0 HG1 THR A 62 158.282 0.468 0.151 1.00 0.00 H new ATOM 0 HG21 THR A 62 160.486 0.422 -0.616 1.00 0.00 H new ATOM 0 HG22 THR A 62 161.594 -0.751 0.134 1.00 0.00 H new ATOM 0 HG23 THR A 62 160.327 -1.312 -0.981 1.00 0.00 H new ATOM 863 N ASP A 63 159.847 -1.268 3.857 1.00 0.00 N ATOM 864 CA ASP A 63 159.467 -1.109 5.255 1.00 0.00 C ATOM 865 C ASP A 63 158.836 0.257 5.497 1.00 0.00 C ATOM 866 O ASP A 63 158.965 0.829 6.578 1.00 0.00 O ATOM 867 CB ASP A 63 160.689 -1.287 6.160 1.00 0.00 C ATOM 868 CG ASP A 63 161.787 -0.290 5.849 1.00 0.00 C ATOM 869 OD1 ASP A 63 162.647 -0.600 4.998 1.00 0.00 O ATOM 870 OD2 ASP A 63 161.789 0.801 6.458 1.00 0.00 O ATOM 0 H ASP A 63 160.668 -0.730 3.579 1.00 0.00 H new ATOM 0 HA ASP A 63 158.730 -1.876 5.494 1.00 0.00 H new ATOM 0 HB2 ASP A 63 160.386 -1.177 7.201 1.00 0.00 H new ATOM 0 HB3 ASP A 63 161.078 -2.299 6.046 1.00 0.00 H new ATOM 875 N GLY A 64 158.152 0.775 4.482 1.00 0.00 N ATOM 876 CA GLY A 64 157.511 2.071 4.603 1.00 0.00 C ATOM 877 C GLY A 64 158.215 3.146 3.799 1.00 0.00 C ATOM 878 O GLY A 64 158.375 4.274 4.263 1.00 0.00 O ATOM 0 H GLY A 64 158.030 0.320 3.577 1.00 0.00 H new ATOM 0 HA2 GLY A 64 156.476 1.993 4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 64 157.487 2.364 5.653 1.00 0.00 H new ATOM 882 N THR A 65 158.638 2.795 2.589 1.00 0.00 N ATOM 883 CA THR A 65 159.329 3.737 1.717 1.00 0.00 C ATOM 884 C THR A 65 158.943 3.515 0.260 1.00 0.00 C ATOM 885 O THR A 65 159.044 2.402 -0.257 1.00 0.00 O ATOM 886 CB THR A 65 160.844 3.600 1.884 1.00 0.00 C ATOM 887 OG1 THR A 65 161.250 2.258 1.686 1.00 0.00 O ATOM 888 CG2 THR A 65 161.338 4.034 3.246 1.00 0.00 C ATOM 0 H THR A 65 158.514 1.864 2.190 1.00 0.00 H new ATOM 0 HA THR A 65 159.029 4.745 2.002 1.00 0.00 H new ATOM 0 HB THR A 65 161.278 4.259 1.132 1.00 0.00 H new ATOM 0 HG1 THR A 65 160.686 1.843 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 65 162.420 3.911 3.297 1.00 0.00 H new ATOM 0 HG22 THR A 65 161.084 5.081 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 65 160.867 3.423 4.016 1.00 0.00 H new ATOM 896 N PHE A 66 158.503 4.581 -0.399 1.00 0.00 N ATOM 897 CA PHE A 66 158.101 4.504 -1.799 1.00 0.00 C ATOM 898 C PHE A 66 159.101 5.230 -2.694 1.00 0.00 C ATOM 899 O PHE A 66 159.198 6.457 -2.665 1.00 0.00 O ATOM 900 CB PHE A 66 156.705 5.101 -1.985 1.00 0.00 C ATOM 901 CG PHE A 66 156.083 4.770 -3.311 1.00 0.00 C ATOM 902 CD1 PHE A 66 155.893 3.452 -3.692 1.00 0.00 C ATOM 903 CD2 PHE A 66 155.689 5.778 -4.177 1.00 0.00 C ATOM 904 CE1 PHE A 66 155.321 3.144 -4.912 1.00 0.00 C ATOM 905 CE2 PHE A 66 155.116 5.476 -5.398 1.00 0.00 C ATOM 906 CZ PHE A 66 154.932 4.158 -5.766 1.00 0.00 C ATOM 0 H PHE A 66 158.415 5.510 0.014 1.00 0.00 H new ATOM 0 HA PHE A 66 158.080 3.453 -2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 66 156.055 4.740 -1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 66 156.765 6.184 -1.881 1.00 0.00 H new ATOM 0 HD1 PHE A 66 156.195 2.656 -3.028 1.00 0.00 H new ATOM 0 HD2 PHE A 66 155.831 6.811 -3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 66 155.178 2.112 -5.197 1.00 0.00 H new ATOM 0 HE2 PHE A 66 154.812 6.270 -6.064 1.00 0.00 H new ATOM 0 HZ PHE A 66 154.485 3.920 -6.720 1.00 0.00 H new ATOM 916 N ARG A 67 159.843 4.465 -3.487 1.00 0.00 N ATOM 917 CA ARG A 67 160.835 5.035 -4.390 1.00 0.00 C ATOM 918 C ARG A 67 161.898 5.807 -3.615 1.00 0.00 C ATOM 919 O ARG A 67 162.370 6.853 -4.062 1.00 0.00 O ATOM 920 CB ARG A 67 160.158 5.956 -5.408 1.00 0.00 C ATOM 921 CG ARG A 67 158.907 5.359 -6.030 1.00 0.00 C ATOM 922 CD ARG A 67 158.567 6.031 -7.350 1.00 0.00 C ATOM 923 NE ARG A 67 157.502 5.330 -8.063 1.00 0.00 N ATOM 924 CZ ARG A 67 157.666 4.161 -8.677 1.00 0.00 C ATOM 925 NH1 ARG A 67 158.849 3.558 -8.668 1.00 0.00 N ATOM 926 NH2 ARG A 67 156.644 3.591 -9.302 1.00 0.00 N ATOM 0 H ARG A 67 159.776 3.448 -3.523 1.00 0.00 H new ATOM 0 HA ARG A 67 161.322 4.216 -4.919 1.00 0.00 H new ATOM 0 HB2 ARG A 67 159.898 6.895 -4.919 1.00 0.00 H new ATOM 0 HB3 ARG A 67 160.869 6.194 -6.199 1.00 0.00 H new ATOM 0 HG2 ARG A 67 159.054 4.291 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 67 158.070 5.465 -5.340 1.00 0.00 H new ATOM 0 HD2 ARG A 67 158.262 7.061 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG A 67 159.458 6.070 -7.977 1.00 0.00 H new ATOM 0 HE ARG A 67 156.578 5.762 -8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 67 159.638 3.991 -8.189 1.00 0.00 H new ATOM 0 HH12 ARG A 67 158.968 2.662 -9.141 1.00 0.00 H new ATOM 0 HH21 ARG A 67 155.733 4.049 -9.312 1.00 0.00 H new ATOM 0 HH22 ARG A 67 156.770 2.695 -9.773 1.00 0.00 H new ATOM 940 N GLY A 68 162.269 5.284 -2.451 1.00 0.00 N ATOM 941 CA GLY A 68 163.274 5.938 -1.632 1.00 0.00 C ATOM 942 C GLY A 68 162.724 7.136 -0.883 1.00 0.00 C ATOM 943 O GLY A 68 163.458 8.076 -0.580 1.00 0.00 O ATOM 0 H GLY A 68 161.893 4.420 -2.060 1.00 0.00 H new ATOM 0 HA2 GLY A 68 163.678 5.221 -0.917 1.00 0.00 H new ATOM 0 HA3 GLY A 68 164.102 6.258 -2.265 1.00 0.00 H new ATOM 947 N THR A 69 161.430 7.102 -0.584 1.00 0.00 N ATOM 948 CA THR A 69 160.783 8.193 0.133 1.00 0.00 C ATOM 949 C THR A 69 159.899 7.658 1.256 1.00 0.00 C ATOM 950 O THR A 69 158.746 7.291 1.030 1.00 0.00 O ATOM 951 CB THR A 69 159.948 9.040 -0.828 1.00 0.00 C ATOM 952 OG1 THR A 69 160.661 9.285 -2.028 1.00 0.00 O ATOM 953 CG2 THR A 69 159.546 10.380 -0.251 1.00 0.00 C ATOM 0 H THR A 69 160.809 6.330 -0.827 1.00 0.00 H new ATOM 0 HA THR A 69 161.562 8.816 0.573 1.00 0.00 H new ATOM 0 HB THR A 69 159.045 8.459 -1.016 1.00 0.00 H new ATOM 0 HG1 THR A 69 160.110 9.827 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 69 158.956 10.930 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 69 158.952 10.225 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 69 160.440 10.952 -0.002 1.00 0.00 H new ATOM 961 N ARG A 70 160.448 7.616 2.465 1.00 0.00 N ATOM 962 CA ARG A 70 159.709 7.125 3.623 1.00 0.00 C ATOM 963 C ARG A 70 158.552 8.058 3.966 1.00 0.00 C ATOM 964 O ARG A 70 158.739 9.263 4.126 1.00 0.00 O ATOM 965 CB ARG A 70 160.641 6.985 4.828 1.00 0.00 C ATOM 966 CG ARG A 70 159.945 6.478 6.082 1.00 0.00 C ATOM 967 CD ARG A 70 159.718 7.595 7.090 1.00 0.00 C ATOM 968 NE ARG A 70 160.355 7.311 8.373 1.00 0.00 N ATOM 969 CZ ARG A 70 161.654 7.482 8.610 1.00 0.00 C ATOM 970 NH1 ARG A 70 162.457 7.933 7.653 1.00 0.00 N ATOM 971 NH2 ARG A 70 162.152 7.201 9.806 1.00 0.00 N ATOM 0 H ARG A 70 161.401 7.916 2.669 1.00 0.00 H new ATOM 0 HA ARG A 70 159.301 6.146 3.373 1.00 0.00 H new ATOM 0 HB2 ARG A 70 161.452 6.303 4.572 1.00 0.00 H new ATOM 0 HB3 ARG A 70 161.094 7.953 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 70 158.988 6.032 5.812 1.00 0.00 H new ATOM 0 HG3 ARG A 70 160.546 5.692 6.539 1.00 0.00 H new ATOM 0 HD2 ARG A 70 160.110 8.530 6.690 1.00 0.00 H new ATOM 0 HD3 ARG A 70 158.648 7.736 7.240 1.00 0.00 H new ATOM 0 HE ARG A 70 159.770 6.961 9.132 1.00 0.00 H new ATOM 0 HH11 ARG A 70 162.079 8.150 6.731 1.00 0.00 H new ATOM 0 HH12 ARG A 70 163.451 8.062 7.840 1.00 0.00 H new ATOM 0 HH21 ARG A 70 161.540 6.854 10.545 1.00 0.00 H new ATOM 0 HH22 ARG A 70 163.147 7.332 9.988 1.00 0.00 H new ATOM 985 N TYR A 71 157.355 7.490 4.077 1.00 0.00 N ATOM 986 CA TYR A 71 156.166 8.269 4.402 1.00 0.00 C ATOM 987 C TYR A 71 155.674 7.950 5.809 1.00 0.00 C ATOM 988 O TYR A 71 155.102 8.804 6.486 1.00 0.00 O ATOM 989 CB TYR A 71 155.057 7.991 3.386 1.00 0.00 C ATOM 990 CG TYR A 71 155.312 8.601 2.026 1.00 0.00 C ATOM 991 CD1 TYR A 71 155.614 9.951 1.894 1.00 0.00 C ATOM 992 CD2 TYR A 71 155.252 7.827 0.874 1.00 0.00 C ATOM 993 CE1 TYR A 71 155.847 10.512 0.653 1.00 0.00 C ATOM 994 CE2 TYR A 71 155.486 8.380 -0.370 1.00 0.00 C ATOM 995 CZ TYR A 71 155.783 9.722 -0.476 1.00 0.00 C ATOM 996 OH TYR A 71 156.016 10.276 -1.713 1.00 0.00 O ATOM 0 H TYR A 71 157.183 6.493 3.947 1.00 0.00 H new ATOM 0 HA TYR A 71 156.431 9.325 4.361 1.00 0.00 H new ATOM 0 HB2 TYR A 71 154.940 6.913 3.275 1.00 0.00 H new ATOM 0 HB3 TYR A 71 154.114 8.375 3.776 1.00 0.00 H new ATOM 0 HD1 TYR A 71 155.667 10.572 2.776 1.00 0.00 H new ATOM 0 HD2 TYR A 71 155.019 6.775 0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 71 156.078 11.564 0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 71 155.436 7.764 -1.256 1.00 0.00 H new ATOM 0 HH TYR A 71 155.171 10.597 -2.092 1.00 0.00 H new ATOM 1006 N PHE A 72 155.900 6.714 6.244 1.00 0.00 N ATOM 1007 CA PHE A 72 155.480 6.283 7.572 1.00 0.00 C ATOM 1008 C PHE A 72 156.457 5.262 8.147 1.00 0.00 C ATOM 1009 O PHE A 72 157.463 4.930 7.521 1.00 0.00 O ATOM 1010 CB PHE A 72 154.074 5.683 7.515 1.00 0.00 C ATOM 1011 CG PHE A 72 153.907 4.646 6.442 1.00 0.00 C ATOM 1012 CD1 PHE A 72 153.664 5.020 5.130 1.00 0.00 C ATOM 1013 CD2 PHE A 72 153.991 3.296 6.745 1.00 0.00 C ATOM 1014 CE1 PHE A 72 153.510 4.068 4.140 1.00 0.00 C ATOM 1015 CE2 PHE A 72 153.838 2.340 5.760 1.00 0.00 C ATOM 1016 CZ PHE A 72 153.597 2.726 4.456 1.00 0.00 C ATOM 0 H PHE A 72 156.371 5.994 5.696 1.00 0.00 H new ATOM 0 HA PHE A 72 155.469 7.157 8.224 1.00 0.00 H new ATOM 0 HB2 PHE A 72 153.839 5.236 8.481 1.00 0.00 H new ATOM 0 HB3 PHE A 72 153.353 6.483 7.351 1.00 0.00 H new ATOM 0 HD1 PHE A 72 153.594 6.068 4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 72 154.178 2.988 7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 72 153.322 4.373 3.121 1.00 0.00 H new ATOM 0 HE2 PHE A 72 153.907 1.291 6.009 1.00 0.00 H new ATOM 0 HZ PHE A 72 153.477 1.980 3.685 1.00 0.00 H new ATOM 1026 N THR A 73 156.152 4.768 9.342 1.00 0.00 N ATOM 1027 CA THR A 73 157.003 3.784 10.003 1.00 0.00 C ATOM 1028 C THR A 73 156.260 2.467 10.201 1.00 0.00 C ATOM 1029 O THR A 73 155.275 2.404 10.938 1.00 0.00 O ATOM 1030 CB THR A 73 157.485 4.319 11.352 1.00 0.00 C ATOM 1031 OG1 THR A 73 157.819 5.693 11.256 1.00 0.00 O ATOM 1032 CG2 THR A 73 158.697 3.588 11.888 1.00 0.00 C ATOM 0 H THR A 73 155.322 5.032 9.873 1.00 0.00 H new ATOM 0 HA THR A 73 157.867 3.600 9.364 1.00 0.00 H new ATOM 0 HB THR A 73 156.653 4.161 12.039 1.00 0.00 H new ATOM 0 HG1 THR A 73 158.123 6.017 12.129 1.00 0.00 H new ATOM 0 HG21 THR A 73 158.986 4.018 12.847 1.00 0.00 H new ATOM 0 HG22 THR A 73 158.456 2.533 12.021 1.00 0.00 H new ATOM 0 HG23 THR A 73 159.522 3.686 11.183 1.00 0.00 H new ATOM 1040 N CYS A 74 156.736 1.418 9.539 1.00 0.00 N ATOM 1041 CA CYS A 74 156.116 0.102 9.643 1.00 0.00 C ATOM 1042 C CYS A 74 157.174 -0.992 9.725 1.00 0.00 C ATOM 1043 O CYS A 74 158.373 -0.717 9.671 1.00 0.00 O ATOM 1044 CB CYS A 74 155.198 -0.148 8.444 1.00 0.00 C ATOM 1045 SG CYS A 74 153.512 0.467 8.665 1.00 0.00 S ATOM 0 H CYS A 74 157.549 1.453 8.925 1.00 0.00 H new ATOM 0 HA CYS A 74 155.523 0.078 10.557 1.00 0.00 H new ATOM 0 HB2 CYS A 74 155.633 0.323 7.563 1.00 0.00 H new ATOM 0 HB3 CYS A 74 155.160 -1.219 8.246 1.00 0.00 H new ATOM 0 HG CYS A 74 153.282 1.419 7.810 1.00 0.00 H new ATOM 1051 N ALA A 75 156.723 -2.236 9.856 1.00 0.00 N ATOM 1052 CA ALA A 75 157.631 -3.373 9.946 1.00 0.00 C ATOM 1053 C ALA A 75 158.416 -3.552 8.652 1.00 0.00 C ATOM 1054 O ALA A 75 158.263 -2.776 7.708 1.00 0.00 O ATOM 1055 CB ALA A 75 156.857 -4.640 10.276 1.00 0.00 C ATOM 0 H ALA A 75 155.734 -2.482 9.902 1.00 0.00 H new ATOM 0 HA ALA A 75 158.343 -3.176 10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 75 157.547 -5.481 10.340 1.00 0.00 H new ATOM 0 HB2 ALA A 75 156.346 -4.516 11.231 1.00 0.00 H new ATOM 0 HB3 ALA A 75 156.123 -4.832 9.494 1.00 0.00 H new ATOM 1061 N LEU A 76 159.258 -4.580 8.613 1.00 0.00 N ATOM 1062 CA LEU A 76 160.068 -4.861 7.434 1.00 0.00 C ATOM 1063 C LEU A 76 159.357 -5.842 6.507 1.00 0.00 C ATOM 1064 O LEU A 76 158.756 -6.816 6.960 1.00 0.00 O ATOM 1065 CB LEU A 76 161.428 -5.427 7.847 1.00 0.00 C ATOM 1066 CG LEU A 76 162.316 -4.465 8.637 1.00 0.00 C ATOM 1067 CD1 LEU A 76 163.393 -5.228 9.391 1.00 0.00 C ATOM 1068 CD2 LEU A 76 162.943 -3.436 7.708 1.00 0.00 C ATOM 0 H LEU A 76 159.397 -5.232 9.385 1.00 0.00 H new ATOM 0 HA LEU A 76 160.219 -3.925 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 76 161.265 -6.322 8.447 1.00 0.00 H new ATOM 0 HB3 LEU A 76 161.963 -5.737 6.950 1.00 0.00 H new ATOM 0 HG LEU A 76 161.695 -3.942 9.364 1.00 0.00 H new ATOM 0 HD11 LEU A 76 164.015 -4.526 9.947 1.00 0.00 H new ATOM 0 HD12 LEU A 76 162.926 -5.927 10.085 1.00 0.00 H new ATOM 0 HD13 LEU A 76 164.012 -5.779 8.683 1.00 0.00 H new ATOM 0 HD21 LEU A 76 163.572 -2.759 8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 76 163.550 -3.944 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 76 162.157 -2.866 7.212 1.00 0.00 H new ATOM 1080 N LYS A 77 159.429 -5.577 5.207 1.00 0.00 N ATOM 1081 CA LYS A 77 158.793 -6.436 4.214 1.00 0.00 C ATOM 1082 C LYS A 77 157.283 -6.478 4.419 1.00 0.00 C ATOM 1083 O LYS A 77 156.656 -7.529 4.285 1.00 0.00 O ATOM 1084 CB LYS A 77 159.370 -7.851 4.288 1.00 0.00 C ATOM 1085 CG LYS A 77 160.884 -7.899 4.152 1.00 0.00 C ATOM 1086 CD LYS A 77 161.333 -7.461 2.766 1.00 0.00 C ATOM 1087 CE LYS A 77 162.582 -6.598 2.832 1.00 0.00 C ATOM 1088 NZ LYS A 77 162.254 -5.158 3.023 1.00 0.00 N ATOM 0 H LYS A 77 159.922 -4.774 4.816 1.00 0.00 H new ATOM 0 HA LYS A 77 158.996 -6.020 3.227 1.00 0.00 H new ATOM 0 HB2 LYS A 77 159.085 -8.302 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 77 158.923 -8.458 3.501 1.00 0.00 H new ATOM 0 HG2 LYS A 77 161.339 -7.254 4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 77 161.236 -8.912 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 77 161.529 -8.340 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 77 160.531 -6.905 2.281 1.00 0.00 H new ATOM 0 HE2 LYS A 77 163.215 -6.938 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 77 163.157 -6.721 1.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 163.125 -4.592 2.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 161.589 -4.852 2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 161.819 -5.022 3.958 1.00 0.00 H new ATOM 1102 N LYS A 78 156.702 -5.327 4.745 1.00 0.00 N ATOM 1103 CA LYS A 78 155.265 -5.233 4.968 1.00 0.00 C ATOM 1104 C LYS A 78 154.741 -3.857 4.567 1.00 0.00 C ATOM 1105 O LYS A 78 153.838 -3.316 5.206 1.00 0.00 O ATOM 1106 CB LYS A 78 154.936 -5.509 6.436 1.00 0.00 C ATOM 1107 CG LYS A 78 155.439 -6.856 6.930 1.00 0.00 C ATOM 1108 CD LYS A 78 155.044 -7.103 8.377 1.00 0.00 C ATOM 1109 CE LYS A 78 153.565 -7.429 8.503 1.00 0.00 C ATOM 1110 NZ LYS A 78 153.262 -8.159 9.765 1.00 0.00 N ATOM 0 H LYS A 78 157.205 -4.447 4.860 1.00 0.00 H new ATOM 0 HA LYS A 78 154.776 -5.983 4.346 1.00 0.00 H new ATOM 0 HB2 LYS A 78 155.370 -4.721 7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 78 153.856 -5.462 6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 78 155.035 -7.649 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 78 156.524 -6.897 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 78 155.635 -7.925 8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 78 155.275 -6.221 8.974 1.00 0.00 H new ATOM 0 HE2 LYS A 78 152.986 -6.506 8.470 1.00 0.00 H new ATOM 0 HE3 LYS A 78 153.253 -8.032 7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 152.711 -9.014 9.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 154.151 -8.430 10.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 152.712 -7.544 10.398 1.00 0.00 H new ATOM 1124 N ALA A 79 155.313 -3.298 3.507 1.00 0.00 N ATOM 1125 CA ALA A 79 154.904 -1.986 3.022 1.00 0.00 C ATOM 1126 C ALA A 79 154.827 -1.964 1.499 1.00 0.00 C ATOM 1127 O ALA A 79 155.846 -1.846 0.817 1.00 0.00 O ATOM 1128 CB ALA A 79 155.864 -0.916 3.519 1.00 0.00 C ATOM 0 H ALA A 79 156.061 -3.733 2.967 1.00 0.00 H new ATOM 0 HA ALA A 79 153.909 -1.775 3.414 1.00 0.00 H new ATOM 0 HB1 ALA A 79 155.546 0.059 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 79 155.866 -0.907 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 79 156.869 -1.132 3.156 1.00 0.00 H new ATOM 1134 N LEU A 80 153.612 -2.077 0.970 1.00 0.00 N ATOM 1135 CA LEU A 80 153.402 -2.069 -0.473 1.00 0.00 C ATOM 1136 C LEU A 80 152.484 -0.924 -0.884 1.00 0.00 C ATOM 1137 O LEU A 80 151.354 -0.818 -0.407 1.00 0.00 O ATOM 1138 CB LEU A 80 152.808 -3.404 -0.928 1.00 0.00 C ATOM 1139 CG LEU A 80 152.489 -3.494 -2.422 1.00 0.00 C ATOM 1140 CD1 LEU A 80 153.744 -3.825 -3.216 1.00 0.00 C ATOM 1141 CD2 LEU A 80 151.407 -4.534 -2.673 1.00 0.00 C ATOM 0 H LEU A 80 152.758 -2.175 1.520 1.00 0.00 H new ATOM 0 HA LEU A 80 154.369 -1.925 -0.956 1.00 0.00 H new ATOM 0 HB2 LEU A 80 153.506 -4.201 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 80 151.893 -3.588 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 80 152.118 -2.525 -2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 80 153.498 -3.885 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 80 154.490 -3.045 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 80 154.144 -4.782 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 80 151.192 -4.585 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 80 151.751 -5.508 -2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 80 150.502 -4.255 -2.134 1.00 0.00 H new ATOM 1153 N PHE A 81 152.977 -0.065 -1.770 1.00 0.00 N ATOM 1154 CA PHE A 81 152.201 1.074 -2.245 1.00 0.00 C ATOM 1155 C PHE A 81 151.396 0.705 -3.487 1.00 0.00 C ATOM 1156 O PHE A 81 151.813 -0.141 -4.280 1.00 0.00 O ATOM 1157 CB PHE A 81 153.123 2.254 -2.554 1.00 0.00 C ATOM 1158 CG PHE A 81 153.759 2.855 -1.332 1.00 0.00 C ATOM 1159 CD1 PHE A 81 154.894 2.288 -0.775 1.00 0.00 C ATOM 1160 CD2 PHE A 81 153.219 3.986 -0.740 1.00 0.00 C ATOM 1161 CE1 PHE A 81 155.479 2.838 0.349 1.00 0.00 C ATOM 1162 CE2 PHE A 81 153.801 4.540 0.385 1.00 0.00 C ATOM 1163 CZ PHE A 81 154.932 3.966 0.930 1.00 0.00 C ATOM 0 H PHE A 81 153.911 -0.136 -2.174 1.00 0.00 H new ATOM 0 HA PHE A 81 151.506 1.362 -1.456 1.00 0.00 H new ATOM 0 HB2 PHE A 81 153.906 1.924 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 81 152.552 3.024 -3.073 1.00 0.00 H new ATOM 0 HD1 PHE A 81 155.326 1.406 -1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 81 152.334 4.439 -1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 81 156.364 2.387 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 81 153.371 5.421 0.837 1.00 0.00 H new ATOM 0 HZ PHE A 81 155.388 4.398 1.809 1.00 0.00 H new ATOM 1173 N VAL A 82 150.242 1.343 -3.650 1.00 0.00 N ATOM 1174 CA VAL A 82 149.380 1.081 -4.796 1.00 0.00 C ATOM 1175 C VAL A 82 148.465 2.268 -5.077 1.00 0.00 C ATOM 1176 O VAL A 82 148.334 3.174 -4.253 1.00 0.00 O ATOM 1177 CB VAL A 82 148.517 -0.175 -4.574 1.00 0.00 C ATOM 1178 CG1 VAL A 82 149.388 -1.419 -4.519 1.00 0.00 C ATOM 1179 CG2 VAL A 82 147.691 -0.038 -3.304 1.00 0.00 C ATOM 0 H VAL A 82 149.882 2.045 -3.003 1.00 0.00 H new ATOM 0 HA VAL A 82 150.034 0.917 -5.653 1.00 0.00 H new ATOM 0 HB VAL A 82 147.833 -0.276 -5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 82 148.760 -2.296 -4.362 1.00 0.00 H new ATOM 0 HG12 VAL A 82 149.931 -1.525 -5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 82 150.099 -1.329 -3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 82 147.088 -0.935 -3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 82 148.356 0.089 -2.450 1.00 0.00 H new ATOM 0 HG23 VAL A 82 147.037 0.830 -3.387 1.00 0.00 H new ATOM 1189 N LYS A 83 147.834 2.257 -6.247 1.00 0.00 N ATOM 1190 CA LYS A 83 146.931 3.333 -6.639 1.00 0.00 C ATOM 1191 C LYS A 83 145.672 3.327 -5.778 1.00 0.00 C ATOM 1192 O LYS A 83 144.950 2.332 -5.724 1.00 0.00 O ATOM 1193 CB LYS A 83 146.554 3.198 -8.116 1.00 0.00 C ATOM 1194 CG LYS A 83 147.716 3.442 -9.064 1.00 0.00 C ATOM 1195 CD LYS A 83 147.351 3.082 -10.495 1.00 0.00 C ATOM 1196 CE LYS A 83 147.951 4.066 -11.487 1.00 0.00 C ATOM 1197 NZ LYS A 83 148.395 3.393 -12.739 1.00 0.00 N ATOM 0 H LYS A 83 147.931 1.515 -6.940 1.00 0.00 H new ATOM 0 HA LYS A 83 147.448 4.281 -6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 83 146.157 2.198 -8.291 1.00 0.00 H new ATOM 0 HB3 LYS A 83 145.755 3.903 -8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 83 148.013 4.490 -9.015 1.00 0.00 H new ATOM 0 HG3 LYS A 83 148.576 2.852 -8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 83 147.705 2.076 -10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 83 146.266 3.070 -10.603 1.00 0.00 H new ATOM 0 HE2 LYS A 83 147.214 4.832 -11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 83 148.799 4.573 -11.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 148.798 4.099 -13.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 149.117 2.679 -12.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 147.581 2.931 -13.192 1.00 0.00 H new ATOM 1211 N LEU A 84 145.417 4.445 -5.109 1.00 0.00 N ATOM 1212 CA LEU A 84 144.246 4.573 -4.250 1.00 0.00 C ATOM 1213 C LEU A 84 142.961 4.378 -5.049 1.00 0.00 C ATOM 1214 O LEU A 84 141.971 3.858 -4.535 1.00 0.00 O ATOM 1215 CB LEU A 84 144.237 5.944 -3.571 1.00 0.00 C ATOM 1216 CG LEU A 84 142.996 6.246 -2.730 1.00 0.00 C ATOM 1217 CD1 LEU A 84 143.069 5.526 -1.392 1.00 0.00 C ATOM 1218 CD2 LEU A 84 142.846 7.745 -2.522 1.00 0.00 C ATOM 0 H LEU A 84 146.006 5.277 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 84 144.297 3.797 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 84 145.117 6.021 -2.932 1.00 0.00 H new ATOM 0 HB3 LEU A 84 144.332 6.712 -4.338 1.00 0.00 H new ATOM 0 HG LEU A 84 142.120 5.883 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU A 84 142.177 5.753 -0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 84 143.129 4.451 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 84 143.953 5.858 -0.848 1.00 0.00 H new ATOM 0 HD21 LEU A 84 141.958 7.942 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 84 143.725 8.131 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 84 142.747 8.238 -3.489 1.00 0.00 H new ATOM 1230 N LYS A 85 142.985 4.799 -6.310 1.00 0.00 N ATOM 1231 CA LYS A 85 141.821 4.669 -7.179 1.00 0.00 C ATOM 1232 C LYS A 85 141.476 3.201 -7.415 1.00 0.00 C ATOM 1233 O LYS A 85 140.323 2.860 -7.676 1.00 0.00 O ATOM 1234 CB LYS A 85 142.078 5.366 -8.517 1.00 0.00 C ATOM 1235 CG LYS A 85 143.400 4.979 -9.161 1.00 0.00 C ATOM 1236 CD LYS A 85 144.399 6.124 -9.118 1.00 0.00 C ATOM 1237 CE LYS A 85 144.251 7.037 -10.325 1.00 0.00 C ATOM 1238 NZ LYS A 85 144.698 8.426 -10.028 1.00 0.00 N ATOM 0 H LYS A 85 143.796 5.232 -6.752 1.00 0.00 H new ATOM 0 HA LYS A 85 140.975 5.146 -6.684 1.00 0.00 H new ATOM 0 HB2 LYS A 85 141.266 5.127 -9.203 1.00 0.00 H new ATOM 0 HB3 LYS A 85 142.060 6.445 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 85 143.816 4.113 -8.647 1.00 0.00 H new ATOM 0 HG3 LYS A 85 143.229 4.683 -10.196 1.00 0.00 H new ATOM 0 HD2 LYS A 85 144.254 6.700 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 85 145.412 5.723 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 85 144.833 6.638 -11.156 1.00 0.00 H new ATOM 0 HE3 LYS A 85 143.209 7.051 -10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 144.581 9.017 -10.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 144.126 8.816 -9.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 145.700 8.416 -9.748 1.00 0.00 H new ATOM 1252 N SER A 86 142.483 2.338 -7.322 1.00 0.00 N ATOM 1253 CA SER A 86 142.283 0.908 -7.525 1.00 0.00 C ATOM 1254 C SER A 86 142.180 0.177 -6.191 1.00 0.00 C ATOM 1255 O SER A 86 142.582 -0.981 -6.073 1.00 0.00 O ATOM 1256 CB SER A 86 143.430 0.324 -8.352 1.00 0.00 C ATOM 1257 OG SER A 86 143.578 1.016 -9.581 1.00 0.00 O ATOM 0 H SER A 86 143.444 2.604 -7.108 1.00 0.00 H new ATOM 0 HA SER A 86 141.347 0.771 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 86 144.358 0.383 -7.784 1.00 0.00 H new ATOM 0 HB3 SER A 86 143.241 -0.732 -8.546 1.00 0.00 H new ATOM 0 HG SER A 86 144.318 0.625 -10.090 1.00 0.00 H new ATOM 1263 N CYS A 87 141.639 0.860 -5.188 1.00 0.00 N ATOM 1264 CA CYS A 87 141.482 0.275 -3.861 1.00 0.00 C ATOM 1265 C CYS A 87 140.008 0.152 -3.491 1.00 0.00 C ATOM 1266 O CYS A 87 139.153 0.819 -4.073 1.00 0.00 O ATOM 1267 CB CYS A 87 142.211 1.124 -2.818 1.00 0.00 C ATOM 1268 SG CYS A 87 143.995 0.839 -2.751 1.00 0.00 S ATOM 0 H CYS A 87 141.302 1.819 -5.268 1.00 0.00 H new ATOM 0 HA CYS A 87 141.918 -0.724 -3.878 1.00 0.00 H new ATOM 0 HB2 CYS A 87 142.030 2.177 -3.032 1.00 0.00 H new ATOM 0 HB3 CYS A 87 141.784 0.920 -1.836 1.00 0.00 H new ATOM 0 HG CYS A 87 144.557 1.358 -3.802 1.00 0.00 H new ATOM 1274 N ARG A 88 139.715 -0.707 -2.519 1.00 0.00 N ATOM 1275 CA ARG A 88 138.344 -0.918 -2.072 1.00 0.00 C ATOM 1276 C ARG A 88 138.274 -0.998 -0.547 1.00 0.00 C ATOM 1277 O ARG A 88 139.152 -1.577 0.091 1.00 0.00 O ATOM 1278 CB ARG A 88 137.777 -2.198 -2.689 1.00 0.00 C ATOM 1279 CG ARG A 88 136.918 -1.952 -3.918 1.00 0.00 C ATOM 1280 CD ARG A 88 135.437 -1.957 -3.574 1.00 0.00 C ATOM 1281 NE ARG A 88 134.598 -2.033 -4.768 1.00 0.00 N ATOM 1282 CZ ARG A 88 133.279 -2.220 -4.736 1.00 0.00 C ATOM 1283 NH1 ARG A 88 132.649 -2.351 -3.576 1.00 0.00 N ATOM 1284 NH2 ARG A 88 132.592 -2.276 -5.868 1.00 0.00 N ATOM 0 H ARG A 88 140.410 -1.268 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 88 137.745 -0.068 -2.400 1.00 0.00 H new ATOM 0 HB2 ARG A 88 138.602 -2.858 -2.959 1.00 0.00 H new ATOM 0 HB3 ARG A 88 137.183 -2.721 -1.939 1.00 0.00 H new ATOM 0 HG2 ARG A 88 137.186 -0.994 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 88 137.122 -2.719 -4.665 1.00 0.00 H new ATOM 0 HD2 ARG A 88 135.219 -2.804 -2.923 1.00 0.00 H new ATOM 0 HD3 ARG A 88 135.192 -1.054 -3.015 1.00 0.00 H new ATOM 0 HE ARG A 88 135.048 -1.937 -5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 88 133.174 -2.309 -2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 88 131.639 -2.494 -3.557 1.00 0.00 H new ATOM 0 HH21 ARG A 88 133.073 -2.176 -6.762 1.00 0.00 H new ATOM 0 HH22 ARG A 88 131.582 -2.419 -5.845 1.00 0.00 H new ATOM 1298 N PRO A 89 137.224 -0.415 0.060 1.00 0.00 N ATOM 1299 CA PRO A 89 137.049 -0.428 1.516 1.00 0.00 C ATOM 1300 C PRO A 89 137.081 -1.842 2.089 1.00 0.00 C ATOM 1301 O PRO A 89 136.463 -2.756 1.545 1.00 0.00 O ATOM 1302 CB PRO A 89 135.666 0.197 1.720 1.00 0.00 C ATOM 1303 CG PRO A 89 135.435 1.020 0.501 1.00 0.00 C ATOM 1304 CD PRO A 89 136.128 0.299 -0.621 1.00 0.00 C ATOM 0 HA PRO A 89 137.851 0.107 2.025 1.00 0.00 H new ATOM 0 HB2 PRO A 89 134.899 -0.569 1.831 1.00 0.00 H new ATOM 0 HB3 PRO A 89 135.638 0.809 2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 89 134.369 1.126 0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 89 135.837 2.025 0.627 1.00 0.00 H new ATOM 0 HD2 PRO A 89 135.456 -0.390 -1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 89 136.505 0.993 -1.372 1.00 0.00 H new ATOM 1312 N ASP A 90 137.806 -2.014 3.189 1.00 0.00 N ATOM 1313 CA ASP A 90 137.917 -3.316 3.835 1.00 0.00 C ATOM 1314 C ASP A 90 136.972 -3.412 5.029 1.00 0.00 C ATOM 1315 O ASP A 90 137.077 -2.637 5.980 1.00 0.00 O ATOM 1316 CB ASP A 90 139.356 -3.565 4.287 1.00 0.00 C ATOM 1317 CG ASP A 90 139.717 -5.038 4.282 1.00 0.00 C ATOM 1318 OD1 ASP A 90 139.169 -5.780 3.441 1.00 0.00 O ATOM 1319 OD2 ASP A 90 140.547 -5.448 5.120 1.00 0.00 O ATOM 0 H ASP A 90 138.325 -1.268 3.652 1.00 0.00 H new ATOM 0 HA ASP A 90 137.636 -4.079 3.109 1.00 0.00 H new ATOM 0 HB2 ASP A 90 140.039 -3.024 3.631 1.00 0.00 H new ATOM 0 HB3 ASP A 90 139.493 -3.163 5.291 1.00 0.00 H new ATOM 1324 N SER A 91 136.050 -4.367 4.972 1.00 0.00 N ATOM 1325 CA SER A 91 135.087 -4.563 6.049 1.00 0.00 C ATOM 1326 C SER A 91 135.527 -5.694 6.974 1.00 0.00 C ATOM 1327 O SER A 91 134.698 -6.422 7.519 1.00 0.00 O ATOM 1328 CB SER A 91 133.703 -4.870 5.475 1.00 0.00 C ATOM 1329 OG SER A 91 132.679 -4.405 6.337 1.00 0.00 O ATOM 0 H SER A 91 135.949 -5.017 4.192 1.00 0.00 H new ATOM 0 HA SER A 91 135.037 -3.641 6.629 1.00 0.00 H new ATOM 0 HB2 SER A 91 133.600 -4.401 4.496 1.00 0.00 H new ATOM 0 HB3 SER A 91 133.598 -5.945 5.327 1.00 0.00 H new ATOM 0 HG SER A 91 131.804 -4.612 5.947 1.00 0.00 H new ATOM 1335 N ARG A 92 136.837 -5.835 7.146 1.00 0.00 N ATOM 1336 CA ARG A 92 137.387 -6.876 8.006 1.00 0.00 C ATOM 1337 C ARG A 92 137.020 -6.628 9.465 1.00 0.00 C ATOM 1338 O ARG A 92 136.878 -7.568 10.247 1.00 0.00 O ATOM 1339 CB ARG A 92 138.909 -6.940 7.854 1.00 0.00 C ATOM 1340 CG ARG A 92 139.365 -7.676 6.605 1.00 0.00 C ATOM 1341 CD ARG A 92 139.163 -9.177 6.737 1.00 0.00 C ATOM 1342 NE ARG A 92 137.960 -9.631 6.042 1.00 0.00 N ATOM 1343 CZ ARG A 92 137.717 -10.903 5.736 1.00 0.00 C ATOM 1344 NH1 ARG A 92 138.590 -11.850 6.059 1.00 0.00 N ATOM 1345 NH2 ARG A 92 136.599 -11.230 5.103 1.00 0.00 N ATOM 0 H ARG A 92 137.537 -5.242 6.701 1.00 0.00 H new ATOM 0 HA ARG A 92 136.957 -7.830 7.700 1.00 0.00 H new ATOM 0 HB2 ARG A 92 139.307 -5.925 7.833 1.00 0.00 H new ATOM 0 HB3 ARG A 92 139.333 -7.431 8.730 1.00 0.00 H new ATOM 0 HG2 ARG A 92 138.810 -7.308 5.742 1.00 0.00 H new ATOM 0 HG3 ARG A 92 140.418 -7.464 6.421 1.00 0.00 H new ATOM 0 HD2 ARG A 92 140.032 -9.697 6.334 1.00 0.00 H new ATOM 0 HD3 ARG A 92 139.094 -9.442 7.792 1.00 0.00 H new ATOM 0 HE ARG A 92 137.266 -8.932 5.776 1.00 0.00 H new ATOM 0 HH11 ARG A 92 139.453 -11.604 6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 92 138.398 -12.823 5.822 1.00 0.00 H new ATOM 0 HH21 ARG A 92 135.926 -10.507 4.851 1.00 0.00 H new ATOM 0 HH22 ARG A 92 136.412 -12.205 4.868 1.00 0.00 H new