USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 554 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 64 HIS : no HD1:sc= 0.00411 X(o=-0.96,f=-1.2) USER MOD Set 1.2: A 112 HIS : no HD1:sc= -0.963 K(o=-0.96,f=-2.4) USER MOD Single : A 28 SER OG : rot -29:sc= 0.0324 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.242 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -179:sc= 0.556 (180deg=0.555) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -130:sc= -0.722 (180deg=-4.08!) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 171 N SER A 28 19.687 22.489 -47.095 1.00 0.00 N ATOM 172 CA SER A 28 19.555 23.868 -46.590 1.00 0.00 C ATOM 173 C SER A 28 20.637 24.231 -45.559 1.00 0.00 C ATOM 174 O SER A 28 21.259 23.355 -44.946 1.00 0.00 O ATOM 175 CB SER A 28 18.151 24.084 -45.995 1.00 0.00 C ATOM 176 OG SER A 28 17.914 23.224 -44.887 1.00 0.00 O ATOM 0 HA SER A 28 19.696 24.534 -47.441 1.00 0.00 H new ATOM 0 HB2 SER A 28 18.044 25.122 -45.680 1.00 0.00 H new ATOM 0 HB3 SER A 28 17.398 23.905 -46.763 1.00 0.00 H new ATOM 0 HG SER A 28 18.436 22.402 -44.994 1.00 0.00 H new ATOM 182 N VAL A 29 20.878 25.535 -45.375 1.00 0.00 N ATOM 183 CA VAL A 29 21.850 26.098 -44.417 1.00 0.00 C ATOM 184 C VAL A 29 21.407 27.490 -43.935 1.00 0.00 C ATOM 185 O VAL A 29 20.765 28.236 -44.679 1.00 0.00 O ATOM 186 CB VAL A 29 23.269 26.115 -45.037 1.00 0.00 C ATOM 187 CG1 VAL A 29 23.404 27.039 -46.255 1.00 0.00 C ATOM 188 CG2 VAL A 29 24.355 26.483 -44.019 1.00 0.00 C ATOM 0 H VAL A 29 20.387 26.255 -45.905 1.00 0.00 H new ATOM 0 HA VAL A 29 21.886 25.458 -43.536 1.00 0.00 H new ATOM 0 HB VAL A 29 23.417 25.088 -45.371 1.00 0.00 H new ATOM 0 HG11 VAL A 29 24.426 26.996 -46.633 1.00 0.00 H new ATOM 0 HG12 VAL A 29 22.715 26.715 -47.035 1.00 0.00 H new ATOM 0 HG13 VAL A 29 23.167 28.062 -45.963 1.00 0.00 H new ATOM 0 HG21 VAL A 29 25.329 26.479 -44.509 1.00 0.00 H new ATOM 0 HG22 VAL A 29 24.155 27.476 -43.616 1.00 0.00 H new ATOM 0 HG23 VAL A 29 24.354 25.756 -43.207 1.00 0.00 H new ATOM 198 N SER A 30 21.745 27.848 -42.691 1.00 0.00 N ATOM 199 CA SER A 30 21.491 29.174 -42.104 1.00 0.00 C ATOM 200 C SER A 30 22.579 29.564 -41.091 1.00 0.00 C ATOM 201 O SER A 30 23.065 28.721 -40.331 1.00 0.00 O ATOM 202 CB SER A 30 20.112 29.193 -41.435 1.00 0.00 C ATOM 203 OG SER A 30 19.784 30.511 -41.014 1.00 0.00 O ATOM 0 H SER A 30 22.214 27.211 -42.047 1.00 0.00 H new ATOM 0 HA SER A 30 21.513 29.908 -42.910 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.357 28.829 -42.132 1.00 0.00 H new ATOM 0 HB3 SER A 30 20.107 28.519 -40.579 1.00 0.00 H new ATOM 0 HG SER A 30 18.900 30.509 -40.590 1.00 0.00 H new ATOM 209 N PHE A 31 22.959 30.846 -41.080 1.00 0.00 N ATOM 210 CA PHE A 31 23.924 31.447 -40.148 1.00 0.00 C ATOM 211 C PHE A 31 23.631 32.949 -39.944 1.00 0.00 C ATOM 212 O PHE A 31 23.046 33.598 -40.817 1.00 0.00 O ATOM 213 CB PHE A 31 25.351 31.226 -40.680 1.00 0.00 C ATOM 214 CG PHE A 31 26.444 31.621 -39.704 1.00 0.00 C ATOM 215 CD1 PHE A 31 26.729 30.794 -38.600 1.00 0.00 C ATOM 216 CD2 PHE A 31 27.159 32.822 -39.879 1.00 0.00 C ATOM 217 CE1 PHE A 31 27.722 31.164 -37.676 1.00 0.00 C ATOM 218 CE2 PHE A 31 28.153 33.192 -38.954 1.00 0.00 C ATOM 219 CZ PHE A 31 28.434 32.364 -37.852 1.00 0.00 C ATOM 0 H PHE A 31 22.588 31.523 -41.747 1.00 0.00 H new ATOM 0 HA PHE A 31 23.831 30.964 -39.175 1.00 0.00 H new ATOM 0 HB2 PHE A 31 25.472 30.174 -40.938 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.477 31.797 -41.600 1.00 0.00 H new ATOM 0 HD1 PHE A 31 26.183 29.872 -38.463 1.00 0.00 H new ATOM 0 HD2 PHE A 31 26.944 33.460 -40.724 1.00 0.00 H new ATOM 0 HE1 PHE A 31 27.938 30.527 -36.831 1.00 0.00 H new ATOM 0 HE2 PHE A 31 28.701 34.113 -39.090 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.196 32.650 -37.142 1.00 0.00 H new ATOM 229 N GLY A 32 24.035 33.511 -38.799 1.00 0.00 N ATOM 230 CA GLY A 32 23.804 34.921 -38.457 1.00 0.00 C ATOM 231 C GLY A 32 24.221 35.297 -37.029 1.00 0.00 C ATOM 232 O GLY A 32 25.086 34.653 -36.430 1.00 0.00 O ATOM 0 H GLY A 32 24.537 32.995 -38.076 1.00 0.00 H new ATOM 0 HA2 GLY A 32 24.351 35.548 -39.161 1.00 0.00 H new ATOM 0 HA3 GLY A 32 22.745 35.146 -38.586 1.00 0.00 H new ATOM 236 N ALA A 33 23.590 36.349 -36.493 1.00 0.00 N ATOM 237 CA ALA A 33 23.815 36.909 -35.153 1.00 0.00 C ATOM 238 C ALA A 33 25.304 37.204 -34.805 1.00 0.00 C ATOM 239 O ALA A 33 25.814 36.696 -33.797 1.00 0.00 O ATOM 240 CB ALA A 33 23.075 36.037 -34.125 1.00 0.00 C ATOM 0 H ALA A 33 22.872 36.859 -37.008 1.00 0.00 H new ATOM 0 HA ALA A 33 23.389 37.912 -35.127 1.00 0.00 H new ATOM 0 HB1 ALA A 33 23.233 36.441 -33.125 1.00 0.00 H new ATOM 0 HB2 ALA A 33 22.009 36.034 -34.351 1.00 0.00 H new ATOM 0 HB3 ALA A 33 23.458 35.018 -34.170 1.00 0.00 H new ATOM 246 N PRO A 34 26.019 38.022 -35.612 1.00 0.00 N ATOM 247 CA PRO A 34 27.386 38.457 -35.308 1.00 0.00 C ATOM 248 C PRO A 34 27.447 39.377 -34.070 1.00 0.00 C ATOM 249 O PRO A 34 26.451 39.995 -33.681 1.00 0.00 O ATOM 250 CB PRO A 34 27.869 39.169 -36.576 1.00 0.00 C ATOM 251 CG PRO A 34 26.582 39.771 -37.138 1.00 0.00 C ATOM 252 CD PRO A 34 25.545 38.696 -36.815 1.00 0.00 C ATOM 0 HA PRO A 34 28.025 37.612 -35.051 1.00 0.00 H new ATOM 0 HB2 PRO A 34 28.610 39.936 -36.352 1.00 0.00 H new ATOM 0 HB3 PRO A 34 28.331 38.475 -37.278 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.340 40.723 -36.666 1.00 0.00 H new ATOM 0 HG3 PRO A 34 26.655 39.956 -38.210 1.00 0.00 H new ATOM 0 HD2 PRO A 34 24.563 39.139 -36.651 1.00 0.00 H new ATOM 0 HD3 PRO A 34 25.444 37.992 -37.641 1.00 0.00 H new ATOM 260 N SER A 35 28.633 39.483 -33.461 1.00 0.00 N ATOM 261 CA SER A 35 28.869 40.203 -32.194 1.00 0.00 C ATOM 262 C SER A 35 30.150 41.076 -32.198 1.00 0.00 C ATOM 263 O SER A 35 31.028 40.902 -31.342 1.00 0.00 O ATOM 264 CB SER A 35 28.820 39.201 -31.026 1.00 0.00 C ATOM 265 OG SER A 35 29.705 38.100 -31.226 1.00 0.00 O ATOM 0 H SER A 35 29.480 39.061 -33.841 1.00 0.00 H new ATOM 0 HA SER A 35 28.067 40.930 -32.065 1.00 0.00 H new ATOM 0 HB2 SER A 35 29.081 39.712 -30.099 1.00 0.00 H new ATOM 0 HB3 SER A 35 27.802 38.830 -30.909 1.00 0.00 H new ATOM 0 HG SER A 35 29.645 37.489 -30.462 1.00 0.00 H new ATOM 271 N PRO A 36 30.297 42.031 -33.145 1.00 0.00 N ATOM 272 CA PRO A 36 31.441 42.945 -33.192 1.00 0.00 C ATOM 273 C PRO A 36 31.491 43.880 -31.968 1.00 0.00 C ATOM 274 O PRO A 36 30.457 44.339 -31.471 1.00 0.00 O ATOM 275 CB PRO A 36 31.286 43.727 -34.501 1.00 0.00 C ATOM 276 CG PRO A 36 29.773 43.754 -34.712 1.00 0.00 C ATOM 277 CD PRO A 36 29.335 42.389 -34.183 1.00 0.00 C ATOM 0 HA PRO A 36 32.383 42.398 -33.161 1.00 0.00 H new ATOM 0 HB2 PRO A 36 31.700 44.732 -34.421 1.00 0.00 H new ATOM 0 HB3 PRO A 36 31.799 43.235 -35.327 1.00 0.00 H new ATOM 0 HG2 PRO A 36 29.302 44.570 -34.164 1.00 0.00 H new ATOM 0 HG3 PRO A 36 29.513 43.883 -35.763 1.00 0.00 H new ATOM 0 HD2 PRO A 36 28.324 42.434 -33.779 1.00 0.00 H new ATOM 0 HD3 PRO A 36 29.327 41.646 -34.980 1.00 0.00 H new ATOM 285 N LEU A 37 32.706 44.173 -31.485 1.00 0.00 N ATOM 286 CA LEU A 37 32.961 45.003 -30.298 1.00 0.00 C ATOM 287 C LEU A 37 34.341 45.687 -30.366 1.00 0.00 C ATOM 288 O LEU A 37 35.325 45.076 -30.791 1.00 0.00 O ATOM 289 CB LEU A 37 32.851 44.098 -29.049 1.00 0.00 C ATOM 290 CG LEU A 37 33.037 44.803 -27.690 1.00 0.00 C ATOM 291 CD1 LEU A 37 31.951 45.847 -27.420 1.00 0.00 C ATOM 292 CD2 LEU A 37 32.986 43.767 -26.567 1.00 0.00 C ATOM 0 H LEU A 37 33.562 43.830 -31.920 1.00 0.00 H new ATOM 0 HA LEU A 37 32.223 45.804 -30.249 1.00 0.00 H new ATOM 0 HB2 LEU A 37 31.873 43.618 -29.057 1.00 0.00 H new ATOM 0 HB3 LEU A 37 33.595 43.306 -29.131 1.00 0.00 H new ATOM 0 HG LEU A 37 34.002 45.309 -27.723 1.00 0.00 H new ATOM 0 HD11 LEU A 37 32.128 46.314 -26.451 1.00 0.00 H new ATOM 0 HD12 LEU A 37 31.976 46.608 -28.200 1.00 0.00 H new ATOM 0 HD13 LEU A 37 30.974 45.363 -27.417 1.00 0.00 H new ATOM 0 HD21 LEU A 37 33.117 44.265 -25.606 1.00 0.00 H new ATOM 0 HD22 LEU A 37 32.021 43.259 -26.584 1.00 0.00 H new ATOM 0 HD23 LEU A 37 33.783 43.037 -26.709 1.00 0.00 H new ATOM 304 N SER A 38 34.421 46.931 -29.886 1.00 0.00 N ATOM 305 CA SER A 38 35.673 47.663 -29.629 1.00 0.00 C ATOM 306 C SER A 38 35.543 48.582 -28.401 1.00 0.00 C ATOM 307 O SER A 38 34.494 49.199 -28.181 1.00 0.00 O ATOM 308 CB SER A 38 36.120 48.454 -30.870 1.00 0.00 C ATOM 309 OG SER A 38 35.122 49.366 -31.314 1.00 0.00 O ATOM 0 H SER A 38 33.591 47.478 -29.657 1.00 0.00 H new ATOM 0 HA SER A 38 36.445 46.926 -29.409 1.00 0.00 H new ATOM 0 HB2 SER A 38 37.034 49.002 -30.640 1.00 0.00 H new ATOM 0 HB3 SER A 38 36.359 47.759 -31.675 1.00 0.00 H new ATOM 0 HG SER A 38 35.447 49.849 -32.102 1.00 0.00 H new ATOM 315 N SER A 39 36.609 48.653 -27.590 1.00 0.00 N ATOM 316 CA SER A 39 36.595 49.290 -26.253 1.00 0.00 C ATOM 317 C SER A 39 37.873 50.086 -25.919 1.00 0.00 C ATOM 318 O SER A 39 38.109 50.426 -24.757 1.00 0.00 O ATOM 319 CB SER A 39 36.350 48.224 -25.167 1.00 0.00 C ATOM 320 OG SER A 39 35.170 47.466 -25.413 1.00 0.00 O ATOM 0 H SER A 39 37.519 48.267 -27.842 1.00 0.00 H new ATOM 0 HA SER A 39 35.782 50.015 -26.275 1.00 0.00 H new ATOM 0 HB2 SER A 39 37.207 47.553 -25.119 1.00 0.00 H new ATOM 0 HB3 SER A 39 36.271 48.710 -24.195 1.00 0.00 H new ATOM 0 HG SER A 39 35.054 46.802 -24.702 1.00 0.00 H new ATOM 326 N GLU A 40 38.730 50.362 -26.910 1.00 0.00 N ATOM 327 CA GLU A 40 40.077 50.931 -26.720 1.00 0.00 C ATOM 328 C GLU A 40 40.530 51.838 -27.882 1.00 0.00 C ATOM 329 O GLU A 40 40.056 51.712 -29.015 1.00 0.00 O ATOM 330 CB GLU A 40 41.091 49.792 -26.479 1.00 0.00 C ATOM 331 CG GLU A 40 41.219 48.803 -27.649 1.00 0.00 C ATOM 332 CD GLU A 40 42.166 47.642 -27.288 1.00 0.00 C ATOM 333 OE1 GLU A 40 41.717 46.667 -26.634 1.00 0.00 O ATOM 334 OE2 GLU A 40 43.361 47.684 -27.668 1.00 0.00 O ATOM 0 H GLU A 40 38.504 50.193 -27.890 1.00 0.00 H new ATOM 0 HA GLU A 40 40.032 51.577 -25.843 1.00 0.00 H new ATOM 0 HB2 GLU A 40 42.069 50.228 -26.278 1.00 0.00 H new ATOM 0 HB3 GLU A 40 40.797 49.243 -25.584 1.00 0.00 H new ATOM 0 HG2 GLU A 40 40.236 48.409 -27.906 1.00 0.00 H new ATOM 0 HG3 GLU A 40 41.594 49.323 -28.530 1.00 0.00 H new ATOM 341 N SER A 41 41.467 52.751 -27.594 1.00 0.00 N ATOM 342 CA SER A 41 42.117 53.646 -28.568 1.00 0.00 C ATOM 343 C SER A 41 43.507 54.085 -28.077 1.00 0.00 C ATOM 344 O SER A 41 43.729 54.216 -26.871 1.00 0.00 O ATOM 345 CB SER A 41 41.235 54.878 -28.813 1.00 0.00 C ATOM 346 OG SER A 41 41.743 55.649 -29.893 1.00 0.00 O ATOM 0 H SER A 41 41.807 52.894 -26.643 1.00 0.00 H new ATOM 0 HA SER A 41 42.244 53.099 -29.502 1.00 0.00 H new ATOM 0 HB2 SER A 41 40.214 54.564 -29.032 1.00 0.00 H new ATOM 0 HB3 SER A 41 41.194 55.488 -27.911 1.00 0.00 H new ATOM 0 HG SER A 41 41.168 56.429 -30.037 1.00 0.00 H new ATOM 352 N GLU A 42 44.444 54.315 -29.008 1.00 0.00 N ATOM 353 CA GLU A 42 45.823 54.780 -28.747 1.00 0.00 C ATOM 354 C GLU A 42 46.643 53.874 -27.791 1.00 0.00 C ATOM 355 O GLU A 42 47.606 54.314 -27.159 1.00 0.00 O ATOM 356 CB GLU A 42 45.792 56.274 -28.352 1.00 0.00 C ATOM 357 CG GLU A 42 47.063 57.050 -28.725 1.00 0.00 C ATOM 358 CD GLU A 42 46.933 58.531 -28.321 1.00 0.00 C ATOM 359 OE1 GLU A 42 47.259 58.885 -27.160 1.00 0.00 O ATOM 360 OE2 GLU A 42 46.509 59.363 -29.162 1.00 0.00 O ATOM 0 H GLU A 42 44.260 54.179 -30.002 1.00 0.00 H new ATOM 0 HA GLU A 42 46.389 54.689 -29.674 1.00 0.00 H new ATOM 0 HB2 GLU A 42 44.936 56.748 -28.833 1.00 0.00 H new ATOM 0 HB3 GLU A 42 45.636 56.351 -27.276 1.00 0.00 H new ATOM 0 HG2 GLU A 42 47.925 56.606 -28.228 1.00 0.00 H new ATOM 0 HG3 GLU A 42 47.240 56.974 -29.798 1.00 0.00 H new ATOM 367 N ASP A 43 46.286 52.586 -27.690 1.00 0.00 N ATOM 368 CA ASP A 43 46.904 51.642 -26.740 1.00 0.00 C ATOM 369 C ASP A 43 48.308 51.163 -27.159 1.00 0.00 C ATOM 370 O ASP A 43 49.131 50.794 -26.319 1.00 0.00 O ATOM 371 CB ASP A 43 45.950 50.459 -26.528 1.00 0.00 C ATOM 372 CG ASP A 43 46.427 49.536 -25.391 1.00 0.00 C ATOM 373 OD1 ASP A 43 46.318 49.936 -24.206 1.00 0.00 O ATOM 374 OD2 ASP A 43 46.891 48.403 -25.669 1.00 0.00 O ATOM 0 H ASP A 43 45.557 52.165 -28.266 1.00 0.00 H new ATOM 0 HA ASP A 43 47.061 52.175 -25.802 1.00 0.00 H new ATOM 0 HB2 ASP A 43 44.952 50.833 -26.298 1.00 0.00 H new ATOM 0 HB3 ASP A 43 45.870 49.886 -27.452 1.00 0.00 H new ATOM 379 N GLU A 44 48.583 51.205 -28.464 1.00 0.00 N ATOM 380 CA GLU A 44 49.823 50.717 -29.097 1.00 0.00 C ATOM 381 C GLU A 44 50.485 51.715 -30.075 1.00 0.00 C ATOM 382 O GLU A 44 51.463 51.369 -30.743 1.00 0.00 O ATOM 383 CB GLU A 44 49.559 49.347 -29.754 1.00 0.00 C ATOM 384 CG GLU A 44 48.581 49.400 -30.937 1.00 0.00 C ATOM 385 CD GLU A 44 48.445 48.013 -31.596 1.00 0.00 C ATOM 386 OE1 GLU A 44 47.576 47.212 -31.171 1.00 0.00 O ATOM 387 OE2 GLU A 44 49.201 47.710 -32.552 1.00 0.00 O ATOM 0 H GLU A 44 47.926 51.594 -29.141 1.00 0.00 H new ATOM 0 HA GLU A 44 50.560 50.606 -28.302 1.00 0.00 H new ATOM 0 HB2 GLU A 44 50.506 48.932 -30.097 1.00 0.00 H new ATOM 0 HB3 GLU A 44 49.166 48.664 -29.001 1.00 0.00 H new ATOM 0 HG2 GLU A 44 47.605 49.742 -30.593 1.00 0.00 H new ATOM 0 HG3 GLU A 44 48.931 50.124 -31.672 1.00 0.00 H new ATOM 631 N ALA A 61 67.248 34.136 -15.907 1.00 0.00 N ATOM 632 CA ALA A 61 68.552 33.570 -15.568 1.00 0.00 C ATOM 633 C ALA A 61 68.526 32.826 -14.220 1.00 0.00 C ATOM 634 O ALA A 61 68.201 33.415 -13.187 1.00 0.00 O ATOM 635 CB ALA A 61 69.613 34.677 -15.594 1.00 0.00 C ATOM 0 HA ALA A 61 68.812 32.822 -16.317 1.00 0.00 H new ATOM 0 HB1 ALA A 61 70.586 34.255 -15.341 1.00 0.00 H new ATOM 0 HB2 ALA A 61 69.656 35.116 -16.591 1.00 0.00 H new ATOM 0 HB3 ALA A 61 69.352 35.448 -14.869 1.00 0.00 H new ATOM 641 N ALA A 62 68.912 31.549 -14.224 1.00 0.00 N ATOM 642 CA ALA A 62 69.217 30.774 -13.023 1.00 0.00 C ATOM 643 C ALA A 62 70.675 31.008 -12.579 1.00 0.00 C ATOM 644 O ALA A 62 71.573 31.180 -13.409 1.00 0.00 O ATOM 645 CB ALA A 62 68.911 29.294 -13.278 1.00 0.00 C ATOM 0 H ALA A 62 69.024 31.013 -15.085 1.00 0.00 H new ATOM 0 HA ALA A 62 68.585 31.107 -12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 62 69.138 28.716 -12.382 1.00 0.00 H new ATOM 0 HB2 ALA A 62 67.856 29.178 -13.527 1.00 0.00 H new ATOM 0 HB3 ALA A 62 69.521 28.934 -14.107 1.00 0.00 H new ATOM 651 N LEU A 63 70.906 31.033 -11.260 1.00 0.00 N ATOM 652 CA LEU A 63 72.175 31.449 -10.647 1.00 0.00 C ATOM 653 C LEU A 63 72.714 30.410 -9.652 1.00 0.00 C ATOM 654 O LEU A 63 71.956 29.628 -9.072 1.00 0.00 O ATOM 655 CB LEU A 63 71.998 32.809 -9.938 1.00 0.00 C ATOM 656 CG LEU A 63 71.401 33.951 -10.784 1.00 0.00 C ATOM 657 CD1 LEU A 63 71.265 35.205 -9.923 1.00 0.00 C ATOM 658 CD2 LEU A 63 72.265 34.310 -11.991 1.00 0.00 C ATOM 0 H LEU A 63 70.202 30.759 -10.575 1.00 0.00 H new ATOM 0 HA LEU A 63 72.906 31.540 -11.450 1.00 0.00 H new ATOM 0 HB2 LEU A 63 71.360 32.660 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 63 72.972 33.131 -9.568 1.00 0.00 H new ATOM 0 HG LEU A 63 70.435 33.598 -11.144 1.00 0.00 H new ATOM 0 HD11 LEU A 63 70.843 36.013 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 63 70.608 34.997 -9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 63 72.247 35.501 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 63 71.794 35.120 -12.548 1.00 0.00 H new ATOM 0 HD22 LEU A 63 73.250 34.629 -11.651 1.00 0.00 H new ATOM 0 HD23 LEU A 63 72.369 33.438 -12.637 1.00 0.00 H new ATOM 670 N HIS A 64 74.025 30.453 -9.403 1.00 0.00 N ATOM 671 CA HIS A 64 74.671 29.742 -8.294 1.00 0.00 C ATOM 672 C HIS A 64 74.443 30.501 -6.978 1.00 0.00 C ATOM 673 O HIS A 64 74.545 31.728 -6.949 1.00 0.00 O ATOM 674 CB HIS A 64 76.168 29.605 -8.592 1.00 0.00 C ATOM 675 CG HIS A 64 76.504 28.659 -9.718 1.00 0.00 C ATOM 676 ND1 HIS A 64 76.540 27.265 -9.614 1.00 0.00 N ATOM 677 CD2 HIS A 64 76.906 29.025 -10.971 1.00 0.00 C ATOM 678 CE1 HIS A 64 76.971 26.822 -10.808 1.00 0.00 C ATOM 679 NE2 HIS A 64 77.202 27.856 -11.637 1.00 0.00 N ATOM 0 H HIS A 64 74.678 30.990 -9.974 1.00 0.00 H new ATOM 0 HA HIS A 64 74.237 28.748 -8.189 1.00 0.00 H new ATOM 0 HB2 HIS A 64 76.568 30.590 -8.832 1.00 0.00 H new ATOM 0 HB3 HIS A 64 76.675 29.267 -7.688 1.00 0.00 H new ATOM 0 HD2 HIS A 64 76.977 30.029 -11.361 1.00 0.00 H new ATOM 0 HE1 HIS A 64 77.112 25.783 -11.065 1.00 0.00 H new ATOM 0 HE2 HIS A 64 77.539 27.786 -12.597 1.00 0.00 H new ATOM 687 N ALA A 65 74.160 29.791 -5.883 1.00 0.00 N ATOM 688 CA ALA A 65 73.822 30.408 -4.592 1.00 0.00 C ATOM 689 C ALA A 65 75.025 30.588 -3.638 1.00 0.00 C ATOM 690 O ALA A 65 74.975 31.428 -2.737 1.00 0.00 O ATOM 691 CB ALA A 65 72.719 29.561 -3.946 1.00 0.00 C ATOM 0 H ALA A 65 74.158 28.771 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 65 73.479 31.425 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 65 72.445 29.993 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 65 71.845 29.543 -4.598 1.00 0.00 H new ATOM 0 HB3 ALA A 65 73.082 28.544 -3.797 1.00 0.00 H new ATOM 697 N GLU A 66 76.095 29.805 -3.816 1.00 0.00 N ATOM 698 CA GLU A 66 77.230 29.699 -2.881 1.00 0.00 C ATOM 699 C GLU A 66 78.591 29.596 -3.600 1.00 0.00 C ATOM 700 O GLU A 66 78.663 29.332 -4.804 1.00 0.00 O ATOM 701 CB GLU A 66 77.030 28.469 -1.968 1.00 0.00 C ATOM 702 CG GLU A 66 75.868 28.586 -0.967 1.00 0.00 C ATOM 703 CD GLU A 66 76.032 29.724 0.066 1.00 0.00 C ATOM 704 OE1 GLU A 66 77.174 30.177 0.334 1.00 0.00 O ATOM 705 OE2 GLU A 66 75.011 30.150 0.661 1.00 0.00 O ATOM 0 H GLU A 66 76.202 29.209 -4.637 1.00 0.00 H new ATOM 0 HA GLU A 66 77.250 30.615 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 66 76.863 27.593 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 66 77.952 28.293 -1.413 1.00 0.00 H new ATOM 0 HG2 GLU A 66 74.942 28.743 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 66 75.765 27.640 -0.435 1.00 0.00 H new ATOM 712 N GLY A 67 79.682 29.789 -2.846 1.00 0.00 N ATOM 713 CA GLY A 67 81.060 29.681 -3.343 1.00 0.00 C ATOM 714 C GLY A 67 81.501 30.852 -4.240 1.00 0.00 C ATOM 715 O GLY A 67 80.852 31.903 -4.255 1.00 0.00 O ATOM 0 H GLY A 67 79.630 30.029 -1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 67 81.737 29.615 -2.492 1.00 0.00 H new ATOM 0 HA3 GLY A 67 81.161 28.751 -3.903 1.00 0.00 H new ATOM 719 N PRO A 68 82.594 30.696 -5.018 1.00 0.00 N ATOM 720 CA PRO A 68 83.154 31.771 -5.847 1.00 0.00 C ATOM 721 C PRO A 68 82.244 32.190 -7.018 1.00 0.00 C ATOM 722 O PRO A 68 82.416 33.279 -7.568 1.00 0.00 O ATOM 723 CB PRO A 68 84.505 31.234 -6.334 1.00 0.00 C ATOM 724 CG PRO A 68 84.310 29.721 -6.344 1.00 0.00 C ATOM 725 CD PRO A 68 83.410 29.493 -5.132 1.00 0.00 C ATOM 0 HA PRO A 68 83.257 32.688 -5.267 1.00 0.00 H new ATOM 0 HB2 PRO A 68 84.752 31.612 -7.326 1.00 0.00 H new ATOM 0 HB3 PRO A 68 85.317 31.529 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 68 83.842 29.379 -7.267 1.00 0.00 H new ATOM 0 HG3 PRO A 68 85.257 29.190 -6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 68 82.788 28.608 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 68 84.000 29.333 -4.230 1.00 0.00 H new ATOM 733 N LEU A 69 81.258 31.356 -7.383 1.00 0.00 N ATOM 734 CA LEU A 69 80.254 31.650 -8.414 1.00 0.00 C ATOM 735 C LEU A 69 78.949 32.252 -7.857 1.00 0.00 C ATOM 736 O LEU A 69 78.014 32.444 -8.626 1.00 0.00 O ATOM 737 CB LEU A 69 79.982 30.390 -9.262 1.00 0.00 C ATOM 738 CG LEU A 69 81.187 29.833 -10.044 1.00 0.00 C ATOM 739 CD1 LEU A 69 80.769 28.550 -10.759 1.00 0.00 C ATOM 740 CD2 LEU A 69 81.728 30.809 -11.090 1.00 0.00 C ATOM 0 H LEU A 69 81.135 30.437 -6.958 1.00 0.00 H new ATOM 0 HA LEU A 69 80.675 32.427 -9.052 1.00 0.00 H new ATOM 0 HB2 LEU A 69 79.607 29.606 -8.604 1.00 0.00 H new ATOM 0 HB3 LEU A 69 79.187 30.618 -9.972 1.00 0.00 H new ATOM 0 HG LEU A 69 81.979 29.653 -9.317 1.00 0.00 H new ATOM 0 HD11 LEU A 69 81.617 28.150 -11.315 1.00 0.00 H new ATOM 0 HD12 LEU A 69 80.438 27.816 -10.025 1.00 0.00 H new ATOM 0 HD13 LEU A 69 79.953 28.767 -11.449 1.00 0.00 H new ATOM 0 HD21 LEU A 69 82.575 30.357 -11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 69 80.945 31.039 -11.812 1.00 0.00 H new ATOM 0 HD23 LEU A 69 82.050 31.727 -10.599 1.00 0.00 H new ATOM 752 N ALA A 70 78.832 32.559 -6.561 1.00 0.00 N ATOM 753 CA ALA A 70 77.589 33.073 -5.984 1.00 0.00 C ATOM 754 C ALA A 70 77.084 34.339 -6.713 1.00 0.00 C ATOM 755 O ALA A 70 77.792 35.342 -6.841 1.00 0.00 O ATOM 756 CB ALA A 70 77.785 33.322 -4.485 1.00 0.00 C ATOM 0 H ALA A 70 79.592 32.459 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 70 76.812 32.320 -6.118 1.00 0.00 H new ATOM 0 HB1 ALA A 70 76.859 33.705 -4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 70 78.054 32.387 -3.993 1.00 0.00 H new ATOM 0 HB3 ALA A 70 78.582 34.051 -4.338 1.00 0.00 H new ATOM 762 N GLY A 71 75.842 34.266 -7.200 1.00 0.00 N ATOM 763 CA GLY A 71 75.182 35.292 -8.019 1.00 0.00 C ATOM 764 C GLY A 71 75.518 35.252 -9.522 1.00 0.00 C ATOM 765 O GLY A 71 75.044 36.113 -10.264 1.00 0.00 O ATOM 0 H GLY A 71 75.243 33.458 -7.029 1.00 0.00 H new ATOM 0 HA2 GLY A 71 74.103 35.188 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 71 75.452 36.273 -7.629 1.00 0.00 H new ATOM 769 N LEU A 72 76.314 34.278 -9.982 1.00 0.00 N ATOM 770 CA LEU A 72 76.748 34.100 -11.378 1.00 0.00 C ATOM 771 C LEU A 72 75.934 32.974 -12.078 1.00 0.00 C ATOM 772 O LEU A 72 75.282 32.184 -11.391 1.00 0.00 O ATOM 773 CB LEU A 72 78.285 33.896 -11.407 1.00 0.00 C ATOM 774 CG LEU A 72 79.135 34.927 -10.630 1.00 0.00 C ATOM 775 CD1 LEU A 72 80.612 34.737 -10.984 1.00 0.00 C ATOM 776 CD2 LEU A 72 78.790 36.388 -10.939 1.00 0.00 C ATOM 0 H LEU A 72 76.691 33.559 -9.365 1.00 0.00 H new ATOM 0 HA LEU A 72 76.537 34.996 -11.962 1.00 0.00 H new ATOM 0 HB2 LEU A 72 78.505 32.905 -11.010 1.00 0.00 H new ATOM 0 HB3 LEU A 72 78.610 33.902 -12.447 1.00 0.00 H new ATOM 0 HG LEU A 72 78.921 34.745 -9.577 1.00 0.00 H new ATOM 0 HD11 LEU A 72 81.214 35.463 -10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 72 80.924 33.729 -10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 72 80.751 34.884 -12.055 1.00 0.00 H new ATOM 0 HD21 LEU A 72 79.432 37.045 -10.353 1.00 0.00 H new ATOM 0 HD22 LEU A 72 78.945 36.582 -12.000 1.00 0.00 H new ATOM 0 HD23 LEU A 72 77.747 36.577 -10.684 1.00 0.00 H new ATOM 788 N PRO A 73 75.906 32.900 -13.428 1.00 0.00 N ATOM 789 CA PRO A 73 74.939 32.101 -14.191 1.00 0.00 C ATOM 790 C PRO A 73 75.249 30.600 -14.204 1.00 0.00 C ATOM 791 O PRO A 73 76.405 30.203 -14.090 1.00 0.00 O ATOM 792 CB PRO A 73 74.993 32.661 -15.615 1.00 0.00 C ATOM 793 CG PRO A 73 76.417 33.188 -15.749 1.00 0.00 C ATOM 794 CD PRO A 73 76.787 33.615 -14.338 1.00 0.00 C ATOM 0 HA PRO A 73 73.954 32.177 -13.731 1.00 0.00 H new ATOM 0 HB2 PRO A 73 74.781 31.890 -16.356 1.00 0.00 H new ATOM 0 HB3 PRO A 73 74.259 33.453 -15.761 1.00 0.00 H new ATOM 0 HG2 PRO A 73 77.093 32.419 -16.123 1.00 0.00 H new ATOM 0 HG3 PRO A 73 76.469 34.025 -16.446 1.00 0.00 H new ATOM 0 HD2 PRO A 73 77.830 33.381 -14.126 1.00 0.00 H new ATOM 0 HD3 PRO A 73 76.671 34.692 -14.219 1.00 0.00 H new ATOM 802 N VAL A 74 74.239 29.756 -14.435 1.00 0.00 N ATOM 803 CA VAL A 74 74.429 28.297 -14.547 1.00 0.00 C ATOM 804 C VAL A 74 74.598 27.826 -16.006 1.00 0.00 C ATOM 805 O VAL A 74 75.413 26.936 -16.249 1.00 0.00 O ATOM 806 CB VAL A 74 73.313 27.535 -13.806 1.00 0.00 C ATOM 807 CG1 VAL A 74 73.555 26.020 -13.798 1.00 0.00 C ATOM 808 CG2 VAL A 74 73.205 27.979 -12.338 1.00 0.00 C ATOM 0 H VAL A 74 73.271 30.057 -14.550 1.00 0.00 H new ATOM 0 HA VAL A 74 75.371 28.058 -14.054 1.00 0.00 H new ATOM 0 HB VAL A 74 72.396 27.766 -14.348 1.00 0.00 H new ATOM 0 HG11 VAL A 74 72.743 25.525 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 74 73.593 25.652 -14.823 1.00 0.00 H new ATOM 0 HG13 VAL A 74 74.500 25.805 -13.300 1.00 0.00 H new ATOM 0 HG21 VAL A 74 72.408 27.421 -11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 74 74.150 27.787 -11.829 1.00 0.00 H new ATOM 0 HG23 VAL A 74 72.981 29.045 -12.296 1.00 0.00 H new ATOM 818 N THR A 75 73.908 28.434 -16.982 1.00 0.00 N ATOM 819 CA THR A 75 73.975 28.084 -18.427 1.00 0.00 C ATOM 820 C THR A 75 74.367 29.255 -19.335 1.00 0.00 C ATOM 821 O THR A 75 74.448 30.401 -18.893 1.00 0.00 O ATOM 822 CB THR A 75 72.655 27.475 -18.928 1.00 0.00 C ATOM 823 OG1 THR A 75 71.674 28.486 -19.036 1.00 0.00 O ATOM 824 CG2 THR A 75 72.169 26.347 -18.024 1.00 0.00 C ATOM 0 H THR A 75 73.268 29.205 -16.793 1.00 0.00 H new ATOM 0 HA THR A 75 74.771 27.343 -18.492 1.00 0.00 H new ATOM 0 HB THR A 75 72.835 27.041 -19.911 1.00 0.00 H new ATOM 0 HG1 THR A 75 70.835 28.095 -19.357 1.00 0.00 H new ATOM 0 HG21 THR A 75 71.234 25.945 -18.414 1.00 0.00 H new ATOM 0 HG22 THR A 75 72.919 25.557 -17.993 1.00 0.00 H new ATOM 0 HG23 THR A 75 72.006 26.732 -17.017 1.00 0.00 H new ATOM 832 N ARG A 76 74.598 28.993 -20.635 1.00 0.00 N ATOM 833 CA ARG A 76 74.876 30.055 -21.629 1.00 0.00 C ATOM 834 C ARG A 76 73.665 30.971 -21.804 1.00 0.00 C ATOM 835 O ARG A 76 73.838 32.182 -21.892 1.00 0.00 O ATOM 836 CB ARG A 76 75.346 29.430 -22.960 1.00 0.00 C ATOM 837 CG ARG A 76 75.710 30.510 -24.001 1.00 0.00 C ATOM 838 CD ARG A 76 76.386 29.952 -25.259 1.00 0.00 C ATOM 839 NE ARG A 76 75.504 29.054 -26.035 1.00 0.00 N ATOM 840 CZ ARG A 76 75.745 28.588 -27.250 1.00 0.00 C ATOM 841 NH1 ARG A 76 76.805 28.921 -27.926 1.00 0.00 N ATOM 842 NH2 ARG A 76 74.908 27.766 -27.819 1.00 0.00 N ATOM 0 H ARG A 76 74.598 28.051 -21.026 1.00 0.00 H new ATOM 0 HA ARG A 76 75.688 30.683 -21.262 1.00 0.00 H new ATOM 0 HB2 ARG A 76 76.212 28.794 -22.777 1.00 0.00 H new ATOM 0 HB3 ARG A 76 74.559 28.790 -23.359 1.00 0.00 H new ATOM 0 HG2 ARG A 76 74.804 31.041 -24.292 1.00 0.00 H new ATOM 0 HG3 ARG A 76 76.373 31.240 -23.537 1.00 0.00 H new ATOM 0 HD2 ARG A 76 76.702 30.780 -25.893 1.00 0.00 H new ATOM 0 HD3 ARG A 76 77.286 29.409 -24.971 1.00 0.00 H new ATOM 0 HE ARG A 76 74.630 28.768 -25.594 1.00 0.00 H new ATOM 0 HH11 ARG A 76 77.487 29.563 -27.522 1.00 0.00 H new ATOM 0 HH12 ARG A 76 76.955 28.540 -28.860 1.00 0.00 H new ATOM 0 HH21 ARG A 76 74.062 27.479 -27.328 1.00 0.00 H new ATOM 0 HH22 ARG A 76 75.099 27.410 -28.756 1.00 0.00 H new ATOM 856 N SER A 77 72.454 30.416 -21.745 1.00 0.00 N ATOM 857 CA SER A 77 71.208 31.193 -21.694 1.00 0.00 C ATOM 858 C SER A 77 71.172 32.088 -20.453 1.00 0.00 C ATOM 859 O SER A 77 70.896 33.280 -20.573 1.00 0.00 O ATOM 860 CB SER A 77 69.986 30.268 -21.712 1.00 0.00 C ATOM 861 OG SER A 77 70.029 29.421 -22.854 1.00 0.00 O ATOM 0 H SER A 77 72.306 29.407 -21.731 1.00 0.00 H new ATOM 0 HA SER A 77 71.176 31.827 -22.580 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.963 29.666 -20.804 1.00 0.00 H new ATOM 0 HB3 SER A 77 69.072 30.861 -21.724 1.00 0.00 H new ATOM 0 HG SER A 77 69.245 28.833 -22.855 1.00 0.00 H new ATOM 867 N ASP A 78 71.554 31.574 -19.278 1.00 0.00 N ATOM 868 CA ASP A 78 71.623 32.394 -18.063 1.00 0.00 C ATOM 869 C ASP A 78 72.665 33.519 -18.193 1.00 0.00 C ATOM 870 O ASP A 78 72.368 34.664 -17.853 1.00 0.00 O ATOM 871 CB ASP A 78 71.937 31.530 -16.837 1.00 0.00 C ATOM 872 CG ASP A 78 70.925 30.411 -16.553 1.00 0.00 C ATOM 873 OD1 ASP A 78 69.705 30.599 -16.780 1.00 0.00 O ATOM 874 OD2 ASP A 78 71.370 29.364 -16.032 1.00 0.00 O ATOM 0 H ASP A 78 71.819 30.598 -19.143 1.00 0.00 H new ATOM 0 HA ASP A 78 70.643 32.853 -17.931 1.00 0.00 H new ATOM 0 HB2 ASP A 78 72.922 31.083 -16.970 1.00 0.00 H new ATOM 0 HB3 ASP A 78 71.996 32.177 -15.961 1.00 0.00 H new ATOM 879 N ALA A 79 73.860 33.234 -18.734 1.00 0.00 N ATOM 880 CA ALA A 79 74.904 34.237 -18.957 1.00 0.00 C ATOM 881 C ALA A 79 74.490 35.311 -19.987 1.00 0.00 C ATOM 882 O ALA A 79 74.692 36.502 -19.750 1.00 0.00 O ATOM 883 CB ALA A 79 76.200 33.499 -19.340 1.00 0.00 C ATOM 0 H ALA A 79 74.127 32.295 -19.029 1.00 0.00 H new ATOM 0 HA ALA A 79 75.071 34.801 -18.039 1.00 0.00 H new ATOM 0 HB1 ALA A 79 76.995 34.225 -19.512 1.00 0.00 H new ATOM 0 HB2 ALA A 79 76.490 32.828 -18.531 1.00 0.00 H new ATOM 0 HB3 ALA A 79 76.034 32.921 -20.249 1.00 0.00 H new ATOM 889 N ARG A 80 73.833 34.921 -21.090 1.00 0.00 N ATOM 890 CA ARG A 80 73.279 35.830 -22.115 1.00 0.00 C ATOM 891 C ARG A 80 72.206 36.760 -21.531 1.00 0.00 C ATOM 892 O ARG A 80 72.254 37.969 -21.752 1.00 0.00 O ATOM 893 CB ARG A 80 72.744 34.959 -23.274 1.00 0.00 C ATOM 894 CG ARG A 80 72.063 35.713 -24.431 1.00 0.00 C ATOM 895 CD ARG A 80 72.994 36.635 -25.232 1.00 0.00 C ATOM 896 NE ARG A 80 74.067 35.893 -25.937 1.00 0.00 N ATOM 897 CZ ARG A 80 73.982 35.245 -27.090 1.00 0.00 C ATOM 898 NH1 ARG A 80 72.850 35.054 -27.704 1.00 0.00 N ATOM 899 NH2 ARG A 80 75.054 34.784 -27.663 1.00 0.00 N ATOM 0 H ARG A 80 73.666 33.938 -21.303 1.00 0.00 H new ATOM 0 HA ARG A 80 74.057 36.495 -22.491 1.00 0.00 H new ATOM 0 HB2 ARG A 80 73.575 34.383 -23.682 1.00 0.00 H new ATOM 0 HB3 ARG A 80 72.031 34.243 -22.864 1.00 0.00 H new ATOM 0 HG2 ARG A 80 71.622 34.985 -25.111 1.00 0.00 H new ATOM 0 HG3 ARG A 80 71.244 36.308 -24.027 1.00 0.00 H new ATOM 0 HD2 ARG A 80 72.406 37.194 -25.960 1.00 0.00 H new ATOM 0 HD3 ARG A 80 73.444 37.364 -24.558 1.00 0.00 H new ATOM 0 HE ARG A 80 74.979 35.880 -25.480 1.00 0.00 H new ATOM 0 HH11 ARG A 80 71.984 35.409 -27.299 1.00 0.00 H new ATOM 0 HH12 ARG A 80 72.829 34.550 -28.590 1.00 0.00 H new ATOM 0 HH21 ARG A 80 75.965 34.920 -27.225 1.00 0.00 H new ATOM 0 HH22 ARG A 80 74.984 34.286 -28.550 1.00 0.00 H new ATOM 913 N VAL A 81 71.279 36.211 -20.741 1.00 0.00 N ATOM 914 CA VAL A 81 70.220 36.984 -20.060 1.00 0.00 C ATOM 915 C VAL A 81 70.812 37.936 -19.031 1.00 0.00 C ATOM 916 O VAL A 81 70.425 39.101 -19.008 1.00 0.00 O ATOM 917 CB VAL A 81 69.195 36.052 -19.393 1.00 0.00 C ATOM 918 CG1 VAL A 81 68.187 36.803 -18.511 1.00 0.00 C ATOM 919 CG2 VAL A 81 68.392 35.317 -20.459 1.00 0.00 C ATOM 0 H VAL A 81 71.236 35.210 -20.550 1.00 0.00 H new ATOM 0 HA VAL A 81 69.706 37.573 -20.819 1.00 0.00 H new ATOM 0 HB VAL A 81 69.771 35.369 -18.769 1.00 0.00 H new ATOM 0 HG11 VAL A 81 67.490 36.091 -18.068 1.00 0.00 H new ATOM 0 HG12 VAL A 81 68.719 37.331 -17.719 1.00 0.00 H new ATOM 0 HG13 VAL A 81 67.636 37.521 -19.119 1.00 0.00 H new ATOM 0 HG21 VAL A 81 67.668 34.658 -19.979 1.00 0.00 H new ATOM 0 HG22 VAL A 81 67.867 36.041 -21.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 69.066 34.725 -21.079 1.00 0.00 H new ATOM 929 N LEU A 82 71.777 37.485 -18.224 1.00 0.00 N ATOM 930 CA LEU A 82 72.502 38.371 -17.300 1.00 0.00 C ATOM 931 C LEU A 82 73.163 39.544 -18.030 1.00 0.00 C ATOM 932 O LEU A 82 72.945 40.684 -17.629 1.00 0.00 O ATOM 933 CB LEU A 82 73.570 37.604 -16.505 1.00 0.00 C ATOM 934 CG LEU A 82 73.066 36.833 -15.276 1.00 0.00 C ATOM 935 CD1 LEU A 82 74.284 36.183 -14.624 1.00 0.00 C ATOM 936 CD2 LEU A 82 72.400 37.742 -14.239 1.00 0.00 C ATOM 0 H LEU A 82 72.077 36.511 -18.190 1.00 0.00 H new ATOM 0 HA LEU A 82 71.757 38.766 -16.609 1.00 0.00 H new ATOM 0 HB2 LEU A 82 74.059 36.899 -17.177 1.00 0.00 H new ATOM 0 HB3 LEU A 82 74.331 38.313 -16.178 1.00 0.00 H new ATOM 0 HG LEU A 82 72.320 36.110 -15.604 1.00 0.00 H new ATOM 0 HD11 LEU A 82 73.970 35.623 -13.743 1.00 0.00 H new ATOM 0 HD12 LEU A 82 74.759 35.506 -15.334 1.00 0.00 H new ATOM 0 HD13 LEU A 82 74.994 36.955 -14.328 1.00 0.00 H new ATOM 0 HD21 LEU A 82 72.063 37.143 -13.393 1.00 0.00 H new ATOM 0 HD22 LEU A 82 73.117 38.487 -13.894 1.00 0.00 H new ATOM 0 HD23 LEU A 82 71.545 38.244 -14.691 1.00 0.00 H new ATOM 948 N ILE A 83 73.912 39.286 -19.112 1.00 0.00 N ATOM 949 CA ILE A 83 74.541 40.340 -19.928 1.00 0.00 C ATOM 950 C ILE A 83 73.490 41.355 -20.388 1.00 0.00 C ATOM 951 O ILE A 83 73.657 42.550 -20.150 1.00 0.00 O ATOM 952 CB ILE A 83 75.322 39.724 -21.116 1.00 0.00 C ATOM 953 CG1 ILE A 83 76.631 39.094 -20.582 1.00 0.00 C ATOM 954 CG2 ILE A 83 75.627 40.757 -22.223 1.00 0.00 C ATOM 955 CD1 ILE A 83 77.314 38.138 -21.568 1.00 0.00 C ATOM 0 H ILE A 83 74.100 38.341 -19.448 1.00 0.00 H new ATOM 0 HA ILE A 83 75.266 40.876 -19.316 1.00 0.00 H new ATOM 0 HB ILE A 83 74.696 38.959 -21.575 1.00 0.00 H new ATOM 0 HG12 ILE A 83 77.327 39.892 -20.325 1.00 0.00 H new ATOM 0 HG13 ILE A 83 76.412 38.554 -19.661 1.00 0.00 H new ATOM 0 HG21 ILE A 83 76.175 40.273 -23.031 1.00 0.00 H new ATOM 0 HG22 ILE A 83 74.692 41.162 -22.610 1.00 0.00 H new ATOM 0 HG23 ILE A 83 76.229 41.566 -21.810 1.00 0.00 H new ATOM 0 HD11 ILE A 83 78.223 37.740 -21.118 1.00 0.00 H new ATOM 0 HD12 ILE A 83 76.638 37.317 -21.807 1.00 0.00 H new ATOM 0 HD13 ILE A 83 77.567 38.677 -22.481 1.00 0.00 H new ATOM 967 N PHE A 84 72.392 40.893 -20.997 1.00 0.00 N ATOM 968 CA PHE A 84 71.362 41.789 -21.521 1.00 0.00 C ATOM 969 C PHE A 84 70.614 42.564 -20.426 1.00 0.00 C ATOM 970 O PHE A 84 70.472 43.779 -20.537 1.00 0.00 O ATOM 971 CB PHE A 84 70.386 40.998 -22.398 1.00 0.00 C ATOM 972 CG PHE A 84 69.508 41.878 -23.268 1.00 0.00 C ATOM 973 CD1 PHE A 84 70.104 42.725 -24.223 1.00 0.00 C ATOM 974 CD2 PHE A 84 68.105 41.844 -23.152 1.00 0.00 C ATOM 975 CE1 PHE A 84 69.313 43.471 -25.106 1.00 0.00 C ATOM 976 CE2 PHE A 84 67.310 42.636 -24.003 1.00 0.00 C ATOM 977 CZ PHE A 84 67.912 43.439 -24.989 1.00 0.00 C ATOM 0 H PHE A 84 72.196 39.902 -21.138 1.00 0.00 H new ATOM 0 HA PHE A 84 71.869 42.543 -22.123 1.00 0.00 H new ATOM 0 HB2 PHE A 84 70.951 40.318 -23.035 1.00 0.00 H new ATOM 0 HB3 PHE A 84 69.752 40.383 -21.759 1.00 0.00 H new ATOM 0 HD1 PHE A 84 71.180 42.800 -24.275 1.00 0.00 H new ATOM 0 HD2 PHE A 84 67.639 41.211 -22.411 1.00 0.00 H new ATOM 0 HE1 PHE A 84 69.778 44.070 -25.875 1.00 0.00 H new ATOM 0 HE2 PHE A 84 66.235 42.627 -23.898 1.00 0.00 H new ATOM 0 HZ PHE A 84 67.300 44.029 -25.654 1.00 0.00 H new ATOM 987 N ASN A 85 70.166 41.896 -19.358 1.00 0.00 N ATOM 988 CA ASN A 85 69.397 42.531 -18.285 1.00 0.00 C ATOM 989 C ASN A 85 70.245 43.518 -17.467 1.00 0.00 C ATOM 990 O ASN A 85 69.797 44.637 -17.207 1.00 0.00 O ATOM 991 CB ASN A 85 68.767 41.456 -17.386 1.00 0.00 C ATOM 992 CG ASN A 85 67.898 42.115 -16.323 1.00 0.00 C ATOM 993 OD1 ASN A 85 66.732 42.410 -16.544 1.00 0.00 O ATOM 994 ND2 ASN A 85 68.444 42.419 -15.166 1.00 0.00 N ATOM 0 H ASN A 85 70.327 40.899 -19.214 1.00 0.00 H new ATOM 0 HA ASN A 85 68.601 43.117 -18.744 1.00 0.00 H new ATOM 0 HB2 ASN A 85 68.167 40.773 -17.987 1.00 0.00 H new ATOM 0 HB3 ASN A 85 69.548 40.862 -16.912 1.00 0.00 H new ATOM 0 HD21 ASN A 85 67.895 42.900 -14.454 1.00 0.00 H new ATOM 0 HD22 ASN A 85 69.416 42.173 -14.981 1.00 0.00 H new ATOM 1001 N GLU A 86 71.470 43.129 -17.082 1.00 0.00 N ATOM 1002 CA GLU A 86 72.386 44.051 -16.409 1.00 0.00 C ATOM 1003 C GLU A 86 72.685 45.240 -17.315 1.00 0.00 C ATOM 1004 O GLU A 86 72.470 46.368 -16.886 1.00 0.00 O ATOM 1005 CB GLU A 86 73.699 43.380 -15.974 1.00 0.00 C ATOM 1006 CG GLU A 86 73.540 42.478 -14.744 1.00 0.00 C ATOM 1007 CD GLU A 86 73.149 43.292 -13.493 1.00 0.00 C ATOM 1008 OE1 GLU A 86 73.959 44.137 -13.034 1.00 0.00 O ATOM 1009 OE2 GLU A 86 72.028 43.097 -12.966 1.00 0.00 O ATOM 0 H GLU A 86 71.843 42.191 -17.225 1.00 0.00 H new ATOM 0 HA GLU A 86 71.886 44.388 -15.501 1.00 0.00 H new ATOM 0 HB2 GLU A 86 74.088 42.788 -16.802 1.00 0.00 H new ATOM 0 HB3 GLU A 86 74.439 44.151 -15.758 1.00 0.00 H new ATOM 0 HG2 GLU A 86 72.779 41.723 -14.941 1.00 0.00 H new ATOM 0 HG3 GLU A 86 74.474 41.948 -14.557 1.00 0.00 H new ATOM 1016 N TRP A 87 73.092 45.032 -18.572 1.00 0.00 N ATOM 1017 CA TRP A 87 73.335 46.151 -19.474 1.00 0.00 C ATOM 1018 C TRP A 87 72.108 47.059 -19.631 1.00 0.00 C ATOM 1019 O TRP A 87 72.262 48.269 -19.532 1.00 0.00 O ATOM 1020 CB TRP A 87 73.794 45.618 -20.822 1.00 0.00 C ATOM 1021 CG TRP A 87 73.876 46.646 -21.895 1.00 0.00 C ATOM 1022 CD1 TRP A 87 74.858 47.556 -22.071 1.00 0.00 C ATOM 1023 CD2 TRP A 87 72.957 46.822 -23.007 1.00 0.00 C ATOM 1024 NE1 TRP A 87 74.605 48.282 -23.218 1.00 0.00 N ATOM 1025 CE2 TRP A 87 73.469 47.841 -23.861 1.00 0.00 C ATOM 1026 CE3 TRP A 87 71.795 46.149 -23.424 1.00 0.00 C ATOM 1027 CZ2 TRP A 87 72.902 48.127 -25.110 1.00 0.00 C ATOM 1028 CZ3 TRP A 87 71.216 46.441 -24.666 1.00 0.00 C ATOM 1029 CH2 TRP A 87 71.758 47.420 -25.515 1.00 0.00 C ATOM 0 H TRP A 87 73.257 44.111 -18.979 1.00 0.00 H new ATOM 0 HA TRP A 87 74.118 46.771 -19.038 1.00 0.00 H new ATOM 0 HB2 TRP A 87 74.774 45.157 -20.702 1.00 0.00 H new ATOM 0 HB3 TRP A 87 73.109 44.832 -21.140 1.00 0.00 H new ATOM 0 HD1 TRP A 87 75.707 47.694 -21.418 1.00 0.00 H new ATOM 0 HE1 TRP A 87 75.188 49.051 -23.549 1.00 0.00 H new ATOM 0 HE3 TRP A 87 71.347 45.404 -22.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 73.338 48.879 -25.751 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 70.334 45.902 -24.977 1.00 0.00 H new ATOM 0 HH2 TRP A 87 71.299 47.627 -26.471 1.00 0.00 H new ATOM 1040 N GLU A 88 70.898 46.519 -19.789 1.00 0.00 N ATOM 1041 CA GLU A 88 69.669 47.313 -19.882 1.00 0.00 C ATOM 1042 C GLU A 88 69.421 48.193 -18.639 1.00 0.00 C ATOM 1043 O GLU A 88 69.192 49.395 -18.786 1.00 0.00 O ATOM 1044 CB GLU A 88 68.466 46.386 -20.128 1.00 0.00 C ATOM 1045 CG GLU A 88 68.265 46.009 -21.602 1.00 0.00 C ATOM 1046 CD GLU A 88 67.535 47.137 -22.363 1.00 0.00 C ATOM 1047 OE1 GLU A 88 68.188 48.104 -22.825 1.00 0.00 O ATOM 1048 OE2 GLU A 88 66.286 47.074 -22.488 1.00 0.00 O ATOM 0 H GLU A 88 70.741 45.513 -19.857 1.00 0.00 H new ATOM 0 HA GLU A 88 69.793 47.994 -20.724 1.00 0.00 H new ATOM 0 HB2 GLU A 88 68.596 45.475 -19.544 1.00 0.00 H new ATOM 0 HB3 GLU A 88 67.563 46.873 -19.761 1.00 0.00 H new ATOM 0 HG2 GLU A 88 69.232 45.817 -22.068 1.00 0.00 H new ATOM 0 HG3 GLU A 88 67.689 45.086 -21.671 1.00 0.00 H new ATOM 1055 N GLU A 89 69.494 47.650 -17.417 1.00 0.00 N ATOM 1056 CA GLU A 89 69.261 48.436 -16.188 1.00 0.00 C ATOM 1057 C GLU A 89 70.411 49.421 -15.891 1.00 0.00 C ATOM 1058 O GLU A 89 70.193 50.616 -15.640 1.00 0.00 O ATOM 1059 CB GLU A 89 69.031 47.502 -14.987 1.00 0.00 C ATOM 1060 CG GLU A 89 67.721 46.712 -15.107 1.00 0.00 C ATOM 1061 CD GLU A 89 67.399 45.940 -13.808 1.00 0.00 C ATOM 1062 OE1 GLU A 89 67.030 46.586 -12.795 1.00 0.00 O ATOM 1063 OE2 GLU A 89 67.484 44.688 -13.790 1.00 0.00 O ATOM 0 H GLU A 89 69.713 46.668 -17.248 1.00 0.00 H new ATOM 0 HA GLU A 89 68.364 49.032 -16.356 1.00 0.00 H new ATOM 0 HB2 GLU A 89 69.866 46.806 -14.905 1.00 0.00 H new ATOM 0 HB3 GLU A 89 69.015 48.090 -14.070 1.00 0.00 H new ATOM 0 HG2 GLU A 89 66.903 47.395 -15.336 1.00 0.00 H new ATOM 0 HG3 GLU A 89 67.793 46.011 -15.939 1.00 0.00 H new ATOM 1070 N ARG A 90 71.656 48.938 -15.988 1.00 0.00 N ATOM 1071 CA ARG A 90 72.866 49.754 -15.803 1.00 0.00 C ATOM 1072 C ARG A 90 72.874 50.895 -16.808 1.00 0.00 C ATOM 1073 O ARG A 90 73.079 52.030 -16.410 1.00 0.00 O ATOM 1074 CB ARG A 90 74.140 48.911 -15.966 1.00 0.00 C ATOM 1075 CG ARG A 90 74.256 47.748 -14.975 1.00 0.00 C ATOM 1076 CD ARG A 90 74.788 48.104 -13.588 1.00 0.00 C ATOM 1077 NE ARG A 90 74.805 46.891 -12.748 1.00 0.00 N ATOM 1078 CZ ARG A 90 75.271 46.745 -11.527 1.00 0.00 C ATOM 1079 NH1 ARG A 90 75.815 47.718 -10.850 1.00 0.00 N ATOM 1080 NH2 ARG A 90 75.179 45.571 -10.981 1.00 0.00 N ATOM 0 H ARG A 90 71.855 47.960 -16.199 1.00 0.00 H new ATOM 0 HA ARG A 90 72.852 50.155 -14.789 1.00 0.00 H new ATOM 0 HB2 ARG A 90 74.172 48.513 -16.980 1.00 0.00 H new ATOM 0 HB3 ARG A 90 75.008 49.560 -15.851 1.00 0.00 H new ATOM 0 HG2 ARG A 90 73.272 47.295 -14.860 1.00 0.00 H new ATOM 0 HG3 ARG A 90 74.907 46.990 -15.409 1.00 0.00 H new ATOM 0 HD2 ARG A 90 75.792 48.520 -13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 90 74.161 48.869 -13.130 1.00 0.00 H new ATOM 0 HE ARG A 90 74.402 46.055 -13.170 1.00 0.00 H new ATOM 0 HH11 ARG A 90 75.895 48.646 -11.265 1.00 0.00 H new ATOM 0 HH12 ARG A 90 76.161 47.551 -9.905 1.00 0.00 H new ATOM 0 HH21 ARG A 90 74.756 44.800 -11.498 1.00 0.00 H new ATOM 0 HH22 ARG A 90 75.530 45.420 -10.035 1.00 0.00 H new ATOM 1094 N LYS A 91 72.553 50.634 -18.078 1.00 0.00 N ATOM 1095 CA LYS A 91 72.452 51.672 -19.129 1.00 0.00 C ATOM 1096 C LYS A 91 71.241 52.600 -18.973 1.00 0.00 C ATOM 1097 O LYS A 91 71.351 53.775 -19.315 1.00 0.00 O ATOM 1098 CB LYS A 91 72.491 51.051 -20.540 1.00 0.00 C ATOM 1099 CG LYS A 91 72.694 52.100 -21.647 1.00 0.00 C ATOM 1100 CD LYS A 91 73.025 51.471 -23.007 1.00 0.00 C ATOM 1101 CE LYS A 91 73.418 52.566 -24.011 1.00 0.00 C ATOM 1102 NZ LYS A 91 74.052 52.006 -25.242 1.00 0.00 N ATOM 0 H LYS A 91 72.353 49.693 -18.417 1.00 0.00 H new ATOM 0 HA LYS A 91 73.332 52.302 -18.998 1.00 0.00 H new ATOM 0 HB2 LYS A 91 73.297 50.319 -20.588 1.00 0.00 H new ATOM 0 HB3 LYS A 91 71.560 50.513 -20.721 1.00 0.00 H new ATOM 0 HG2 LYS A 91 71.791 52.703 -21.741 1.00 0.00 H new ATOM 0 HG3 LYS A 91 73.499 52.775 -21.358 1.00 0.00 H new ATOM 0 HD2 LYS A 91 73.841 50.757 -22.898 1.00 0.00 H new ATOM 0 HD3 LYS A 91 72.164 50.917 -23.380 1.00 0.00 H new ATOM 0 HE2 LYS A 91 72.531 53.136 -24.289 1.00 0.00 H new ATOM 0 HE3 LYS A 91 74.108 53.262 -23.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 74.315 52.783 -25.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 74.904 51.469 -24.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 73.379 51.375 -25.723 1.00 0.00 H new ATOM 1116 N LYS A 92 70.121 52.146 -18.393 1.00 0.00 N ATOM 1117 CA LYS A 92 69.033 53.043 -17.959 1.00 0.00 C ATOM 1118 C LYS A 92 69.542 54.060 -16.923 1.00 0.00 C ATOM 1119 O LYS A 92 69.144 55.225 -16.974 1.00 0.00 O ATOM 1120 CB LYS A 92 67.834 52.200 -17.480 1.00 0.00 C ATOM 1121 CG LYS A 92 66.543 53.003 -17.255 1.00 0.00 C ATOM 1122 CD LYS A 92 66.356 53.484 -15.804 1.00 0.00 C ATOM 1123 CE LYS A 92 65.111 54.369 -15.629 1.00 0.00 C ATOM 1124 NZ LYS A 92 63.833 53.614 -15.786 1.00 0.00 N ATOM 0 H LYS A 92 69.942 51.158 -18.212 1.00 0.00 H new ATOM 0 HA LYS A 92 68.680 53.643 -18.798 1.00 0.00 H new ATOM 0 HB2 LYS A 92 67.638 51.419 -18.214 1.00 0.00 H new ATOM 0 HB3 LYS A 92 68.105 51.702 -16.549 1.00 0.00 H new ATOM 0 HG2 LYS A 92 66.544 53.868 -17.918 1.00 0.00 H new ATOM 0 HG3 LYS A 92 65.689 52.387 -17.537 1.00 0.00 H new ATOM 0 HD2 LYS A 92 66.277 52.619 -15.146 1.00 0.00 H new ATOM 0 HD3 LYS A 92 67.240 54.041 -15.493 1.00 0.00 H new ATOM 0 HE2 LYS A 92 65.135 54.830 -14.642 1.00 0.00 H new ATOM 0 HE3 LYS A 92 65.141 55.178 -16.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 63.029 54.261 -15.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 63.792 53.195 -16.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 63.786 52.859 -15.073 1.00 0.00 H new ATOM 1138 N SER A 93 70.478 53.659 -16.052 1.00 0.00 N ATOM 1139 CA SER A 93 71.237 54.605 -15.204 1.00 0.00 C ATOM 1140 C SER A 93 72.388 55.349 -15.935 1.00 0.00 C ATOM 1141 O SER A 93 72.663 56.516 -15.640 1.00 0.00 O ATOM 1142 CB SER A 93 71.760 53.863 -13.967 1.00 0.00 C ATOM 1143 OG SER A 93 72.199 54.782 -12.977 1.00 0.00 O ATOM 0 H SER A 93 70.733 52.681 -15.912 1.00 0.00 H new ATOM 0 HA SER A 93 70.541 55.392 -14.914 1.00 0.00 H new ATOM 0 HB2 SER A 93 70.973 53.229 -13.558 1.00 0.00 H new ATOM 0 HB3 SER A 93 72.583 53.207 -14.251 1.00 0.00 H new ATOM 0 HG SER A 93 72.527 54.289 -12.196 1.00 0.00 H new ATOM 1149 N GLU A 94 73.044 54.709 -16.911 1.00 0.00 N ATOM 1150 CA GLU A 94 74.319 55.107 -17.539 1.00 0.00 C ATOM 1151 C GLU A 94 74.258 55.033 -19.086 1.00 0.00 C ATOM 1152 O GLU A 94 74.773 54.076 -19.673 1.00 0.00 O ATOM 1153 CB GLU A 94 75.457 54.196 -17.024 1.00 0.00 C ATOM 1154 CG GLU A 94 75.607 54.185 -15.504 1.00 0.00 C ATOM 1155 CD GLU A 94 76.887 53.437 -15.084 1.00 0.00 C ATOM 1156 OE1 GLU A 94 76.837 52.200 -14.866 1.00 0.00 O ATOM 1157 OE2 GLU A 94 77.957 54.081 -14.948 1.00 0.00 O ATOM 0 H GLU A 94 72.679 53.845 -17.311 1.00 0.00 H new ATOM 0 HA GLU A 94 74.510 56.145 -17.265 1.00 0.00 H new ATOM 0 HB2 GLU A 94 75.277 53.178 -17.368 1.00 0.00 H new ATOM 0 HB3 GLU A 94 76.398 54.521 -17.469 1.00 0.00 H new ATOM 0 HG2 GLU A 94 75.640 55.208 -15.130 1.00 0.00 H new ATOM 0 HG3 GLU A 94 74.737 53.708 -15.052 1.00 0.00 H new ATOM 1164 N PRO A 95 73.641 56.007 -19.788 1.00 0.00 N ATOM 1165 CA PRO A 95 73.248 55.900 -21.207 1.00 0.00 C ATOM 1166 C PRO A 95 74.379 55.739 -22.253 1.00 0.00 C ATOM 1167 O PRO A 95 74.108 55.710 -23.456 1.00 0.00 O ATOM 1168 CB PRO A 95 72.355 57.123 -21.475 1.00 0.00 C ATOM 1169 CG PRO A 95 72.753 58.121 -20.390 1.00 0.00 C ATOM 1170 CD PRO A 95 73.063 57.209 -19.208 1.00 0.00 C ATOM 0 HA PRO A 95 72.731 54.950 -21.346 1.00 0.00 H new ATOM 0 HB2 PRO A 95 72.525 57.530 -22.472 1.00 0.00 H new ATOM 0 HB3 PRO A 95 71.298 56.866 -21.411 1.00 0.00 H new ATOM 0 HG2 PRO A 95 73.618 58.716 -20.682 1.00 0.00 H new ATOM 0 HG3 PRO A 95 71.947 58.819 -20.164 1.00 0.00 H new ATOM 0 HD2 PRO A 95 73.758 57.685 -18.517 1.00 0.00 H new ATOM 0 HD3 PRO A 95 72.160 56.977 -18.643 1.00 0.00 H new ATOM 1178 N TRP A 96 75.634 55.587 -21.825 1.00 0.00 N ATOM 1179 CA TRP A 96 76.837 55.377 -22.646 1.00 0.00 C ATOM 1180 C TRP A 96 77.311 53.907 -22.739 1.00 0.00 C ATOM 1181 O TRP A 96 78.251 53.619 -23.484 1.00 0.00 O ATOM 1182 CB TRP A 96 77.937 56.288 -22.078 1.00 0.00 C ATOM 1183 CG TRP A 96 78.150 56.191 -20.594 1.00 0.00 C ATOM 1184 CD1 TRP A 96 78.922 55.279 -19.960 1.00 0.00 C ATOM 1185 CD2 TRP A 96 77.559 57.013 -19.539 1.00 0.00 C ATOM 1186 NE1 TRP A 96 78.863 55.489 -18.595 1.00 0.00 N ATOM 1187 CE2 TRP A 96 78.034 56.543 -18.277 1.00 0.00 C ATOM 1188 CE3 TRP A 96 76.660 58.103 -19.519 1.00 0.00 C ATOM 1189 CZ2 TRP A 96 77.638 57.120 -17.061 1.00 0.00 C ATOM 1190 CZ3 TRP A 96 76.260 58.693 -18.302 1.00 0.00 C ATOM 1191 CH2 TRP A 96 76.742 58.201 -17.076 1.00 0.00 C ATOM 0 H TRP A 96 75.856 55.608 -20.830 1.00 0.00 H new ATOM 0 HA TRP A 96 76.594 55.632 -23.677 1.00 0.00 H new ATOM 0 HB2 TRP A 96 78.876 56.052 -22.579 1.00 0.00 H new ATOM 0 HB3 TRP A 96 77.694 57.321 -22.327 1.00 0.00 H new ATOM 0 HD1 TRP A 96 79.497 54.505 -20.446 1.00 0.00 H new ATOM 0 HE1 TRP A 96 79.371 54.932 -17.908 1.00 0.00 H new ATOM 0 HE3 TRP A 96 76.273 58.490 -20.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 78.018 56.737 -16.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 75.578 59.530 -18.312 1.00 0.00 H new ATOM 0 HH2 TRP A 96 76.424 58.653 -16.148 1.00 0.00 H new ATOM 1202 N LEU A 97 76.702 52.967 -21.998 1.00 0.00 N ATOM 1203 CA LEU A 97 77.223 51.611 -21.790 1.00 0.00 C ATOM 1204 C LEU A 97 77.277 50.725 -23.055 1.00 0.00 C ATOM 1205 O LEU A 97 76.317 50.673 -23.832 1.00 0.00 O ATOM 1206 CB LEU A 97 76.358 50.957 -20.695 1.00 0.00 C ATOM 1207 CG LEU A 97 77.017 49.800 -19.941 1.00 0.00 C ATOM 1208 CD1 LEU A 97 78.247 50.216 -19.134 1.00 0.00 C ATOM 1209 CD2 LEU A 97 76.004 49.200 -18.968 1.00 0.00 C ATOM 0 H LEU A 97 75.817 53.134 -21.519 1.00 0.00 H new ATOM 0 HA LEU A 97 78.268 51.698 -21.494 1.00 0.00 H new ATOM 0 HB2 LEU A 97 76.074 51.724 -19.974 1.00 0.00 H new ATOM 0 HB3 LEU A 97 75.438 50.593 -21.152 1.00 0.00 H new ATOM 0 HG LEU A 97 77.342 49.085 -20.697 1.00 0.00 H new ATOM 0 HD11 LEU A 97 78.661 49.345 -18.627 1.00 0.00 H new ATOM 0 HD12 LEU A 97 78.997 50.636 -19.804 1.00 0.00 H new ATOM 0 HD13 LEU A 97 77.961 50.964 -18.395 1.00 0.00 H new ATOM 0 HD21 LEU A 97 76.465 48.374 -18.426 1.00 0.00 H new ATOM 0 HD22 LEU A 97 75.683 49.964 -18.260 1.00 0.00 H new ATOM 0 HD23 LEU A 97 75.140 48.833 -19.522 1.00 0.00 H new ATOM 1221 N ARG A 98 78.360 49.948 -23.204 1.00 0.00 N ATOM 1222 CA ARG A 98 78.588 48.978 -24.302 1.00 0.00 C ATOM 1223 C ARG A 98 78.064 47.560 -23.998 1.00 0.00 C ATOM 1224 O ARG A 98 77.906 47.189 -22.837 1.00 0.00 O ATOM 1225 CB ARG A 98 80.079 48.990 -24.703 1.00 0.00 C ATOM 1226 CG ARG A 98 81.021 48.372 -23.649 1.00 0.00 C ATOM 1227 CD ARG A 98 82.497 48.468 -24.062 1.00 0.00 C ATOM 1228 NE ARG A 98 82.986 49.865 -24.061 1.00 0.00 N ATOM 1229 CZ ARG A 98 83.496 50.542 -23.045 1.00 0.00 C ATOM 1230 NH1 ARG A 98 83.620 50.027 -21.853 1.00 0.00 N ATOM 1231 NH2 ARG A 98 83.895 51.770 -23.210 1.00 0.00 N ATOM 0 H ARG A 98 79.135 49.974 -22.541 1.00 0.00 H new ATOM 0 HA ARG A 98 77.993 49.303 -25.156 1.00 0.00 H new ATOM 0 HB2 ARG A 98 80.196 48.448 -25.641 1.00 0.00 H new ATOM 0 HB3 ARG A 98 80.386 50.019 -24.889 1.00 0.00 H new ATOM 0 HG2 ARG A 98 80.879 48.880 -22.695 1.00 0.00 H new ATOM 0 HG3 ARG A 98 80.756 47.326 -23.496 1.00 0.00 H new ATOM 0 HD2 ARG A 98 83.103 47.872 -23.380 1.00 0.00 H new ATOM 0 HD3 ARG A 98 82.623 48.041 -25.057 1.00 0.00 H new ATOM 0 HE ARG A 98 82.922 50.365 -24.948 1.00 0.00 H new ATOM 0 HH11 ARG A 98 83.318 49.068 -21.678 1.00 0.00 H new ATOM 0 HH12 ARG A 98 84.019 50.583 -21.096 1.00 0.00 H new ATOM 0 HH21 ARG A 98 83.815 52.214 -24.125 1.00 0.00 H new ATOM 0 HH22 ARG A 98 84.288 52.289 -22.424 1.00 0.00 H new ATOM 1245 N LEU A 99 77.813 46.781 -25.054 1.00 0.00 N ATOM 1246 CA LEU A 99 77.166 45.459 -25.044 1.00 0.00 C ATOM 1247 C LEU A 99 77.905 44.505 -26.004 1.00 0.00 C ATOM 1248 O LEU A 99 78.145 44.856 -27.161 1.00 0.00 O ATOM 1249 CB LEU A 99 75.697 45.704 -25.454 1.00 0.00 C ATOM 1250 CG LEU A 99 74.652 44.570 -25.450 1.00 0.00 C ATOM 1251 CD1 LEU A 99 74.864 43.647 -26.652 1.00 0.00 C ATOM 1252 CD2 LEU A 99 74.589 43.807 -24.130 1.00 0.00 C ATOM 0 H LEU A 99 78.070 47.071 -25.997 1.00 0.00 H new ATOM 0 HA LEU A 99 77.201 44.980 -24.066 1.00 0.00 H new ATOM 0 HB2 LEU A 99 75.314 46.488 -24.801 1.00 0.00 H new ATOM 0 HB3 LEU A 99 75.716 46.112 -26.465 1.00 0.00 H new ATOM 0 HG LEU A 99 73.671 45.036 -25.547 1.00 0.00 H new ATOM 0 HD11 LEU A 99 74.119 42.851 -26.636 1.00 0.00 H new ATOM 0 HD12 LEU A 99 74.762 44.220 -27.573 1.00 0.00 H new ATOM 0 HD13 LEU A 99 75.862 43.211 -26.604 1.00 0.00 H new ATOM 0 HD21 LEU A 99 73.833 43.024 -24.198 1.00 0.00 H new ATOM 0 HD22 LEU A 99 75.560 43.357 -23.923 1.00 0.00 H new ATOM 0 HD23 LEU A 99 74.329 44.494 -23.325 1.00 0.00 H new ATOM 1264 N ASP A 100 78.241 43.296 -25.542 1.00 0.00 N ATOM 1265 CA ASP A 100 78.803 42.215 -26.374 1.00 0.00 C ATOM 1266 C ASP A 100 78.241 40.848 -25.940 1.00 0.00 C ATOM 1267 O ASP A 100 78.121 40.577 -24.744 1.00 0.00 O ATOM 1268 CB ASP A 100 80.340 42.237 -26.312 1.00 0.00 C ATOM 1269 CG ASP A 100 80.974 41.420 -27.456 1.00 0.00 C ATOM 1270 OD1 ASP A 100 80.768 40.184 -27.516 1.00 0.00 O ATOM 1271 OD2 ASP A 100 81.670 42.020 -28.310 1.00 0.00 O ATOM 0 H ASP A 100 78.130 43.032 -24.563 1.00 0.00 H new ATOM 0 HA ASP A 100 78.507 42.379 -27.410 1.00 0.00 H new ATOM 0 HB2 ASP A 100 80.691 43.268 -26.365 1.00 0.00 H new ATOM 0 HB3 ASP A 100 80.670 41.836 -25.354 1.00 0.00 H new ATOM 1276 N MET A 101 77.872 40.003 -26.910 1.00 0.00 N ATOM 1277 CA MET A 101 77.179 38.721 -26.693 1.00 0.00 C ATOM 1278 C MET A 101 77.908 37.498 -27.286 1.00 0.00 C ATOM 1279 O MET A 101 77.360 36.391 -27.245 1.00 0.00 O ATOM 1280 CB MET A 101 75.745 38.852 -27.237 1.00 0.00 C ATOM 1281 CG MET A 101 74.887 39.761 -26.353 1.00 0.00 C ATOM 1282 SD MET A 101 73.192 39.943 -26.958 1.00 0.00 S ATOM 1283 CE MET A 101 72.481 40.910 -25.604 1.00 0.00 C ATOM 0 H MET A 101 78.051 40.195 -27.896 1.00 0.00 H new ATOM 0 HA MET A 101 77.165 38.524 -25.621 1.00 0.00 H new ATOM 0 HB2 MET A 101 75.775 39.252 -28.250 1.00 0.00 H new ATOM 0 HB3 MET A 101 75.287 37.865 -27.298 1.00 0.00 H new ATOM 0 HG2 MET A 101 74.864 39.357 -25.341 1.00 0.00 H new ATOM 0 HG3 MET A 101 75.353 40.745 -26.293 1.00 0.00 H new ATOM 0 HE1 MET A 101 71.552 40.445 -25.274 1.00 0.00 H new ATOM 0 HE2 MET A 101 73.185 40.945 -24.773 1.00 0.00 H new ATOM 0 HE3 MET A 101 72.277 41.924 -25.949 1.00 0.00 H new ATOM 1293 N SER A 102 79.121 37.664 -27.824 1.00 0.00 N ATOM 1294 CA SER A 102 79.921 36.563 -28.389 1.00 0.00 C ATOM 1295 C SER A 102 80.302 35.536 -27.317 1.00 0.00 C ATOM 1296 O SER A 102 80.534 35.900 -26.165 1.00 0.00 O ATOM 1297 CB SER A 102 81.183 37.129 -29.049 1.00 0.00 C ATOM 1298 OG SER A 102 81.937 36.090 -29.659 1.00 0.00 O ATOM 0 H SER A 102 79.582 38.572 -27.882 1.00 0.00 H new ATOM 0 HA SER A 102 79.315 36.051 -29.136 1.00 0.00 H new ATOM 0 HB2 SER A 102 80.907 37.872 -29.797 1.00 0.00 H new ATOM 0 HB3 SER A 102 81.793 37.639 -28.303 1.00 0.00 H new ATOM 0 HG SER A 102 82.738 36.469 -30.077 1.00 0.00 H new ATOM 1304 N ASP A 103 80.427 34.254 -27.677 1.00 0.00 N ATOM 1305 CA ASP A 103 80.795 33.174 -26.745 1.00 0.00 C ATOM 1306 C ASP A 103 82.098 33.466 -25.977 1.00 0.00 C ATOM 1307 O ASP A 103 82.205 33.139 -24.794 1.00 0.00 O ATOM 1308 CB ASP A 103 80.925 31.853 -27.512 1.00 0.00 C ATOM 1309 CG ASP A 103 79.575 31.369 -28.060 1.00 0.00 C ATOM 1310 OD1 ASP A 103 78.812 30.725 -27.301 1.00 0.00 O ATOM 1311 OD2 ASP A 103 79.277 31.617 -29.254 1.00 0.00 O ATOM 0 H ASP A 103 80.275 33.930 -28.632 1.00 0.00 H new ATOM 0 HA ASP A 103 79.999 33.103 -26.004 1.00 0.00 H new ATOM 0 HB2 ASP A 103 81.626 31.981 -28.337 1.00 0.00 H new ATOM 0 HB3 ASP A 103 81.343 31.091 -26.854 1.00 0.00 H new ATOM 1316 N LYS A 104 83.041 34.188 -26.602 1.00 0.00 N ATOM 1317 CA LYS A 104 84.276 34.689 -25.973 1.00 0.00 C ATOM 1318 C LYS A 104 84.001 35.525 -24.716 1.00 0.00 C ATOM 1319 O LYS A 104 84.666 35.333 -23.701 1.00 0.00 O ATOM 1320 CB LYS A 104 85.062 35.488 -27.033 1.00 0.00 C ATOM 1321 CG LYS A 104 86.488 35.897 -26.619 1.00 0.00 C ATOM 1322 CD LYS A 104 87.439 34.701 -26.451 1.00 0.00 C ATOM 1323 CE LYS A 104 88.878 35.199 -26.241 1.00 0.00 C ATOM 1324 NZ LYS A 104 89.851 34.073 -26.162 1.00 0.00 N ATOM 0 H LYS A 104 82.965 34.447 -27.586 1.00 0.00 H new ATOM 0 HA LYS A 104 84.870 33.843 -25.628 1.00 0.00 H new ATOM 0 HB2 LYS A 104 85.122 34.892 -27.944 1.00 0.00 H new ATOM 0 HB3 LYS A 104 84.499 36.389 -27.278 1.00 0.00 H new ATOM 0 HG2 LYS A 104 86.896 36.574 -27.369 1.00 0.00 H new ATOM 0 HG3 LYS A 104 86.442 36.450 -25.681 1.00 0.00 H new ATOM 0 HD2 LYS A 104 87.127 34.095 -25.600 1.00 0.00 H new ATOM 0 HD3 LYS A 104 87.392 34.062 -27.332 1.00 0.00 H new ATOM 0 HE2 LYS A 104 89.156 35.862 -27.061 1.00 0.00 H new ATOM 0 HE3 LYS A 104 88.928 35.787 -25.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 90.809 34.452 -26.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 89.602 33.454 -25.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 89.822 33.527 -27.046 1.00 0.00 H new ATOM 1338 N ALA A 105 82.979 36.384 -24.745 1.00 0.00 N ATOM 1339 CA ALA A 105 82.549 37.192 -23.598 1.00 0.00 C ATOM 1340 C ALA A 105 82.044 36.328 -22.435 1.00 0.00 C ATOM 1341 O ALA A 105 82.324 36.628 -21.274 1.00 0.00 O ATOM 1342 CB ALA A 105 81.501 38.212 -24.072 1.00 0.00 C ATOM 0 H ALA A 105 82.416 36.541 -25.581 1.00 0.00 H new ATOM 0 HA ALA A 105 83.409 37.731 -23.200 1.00 0.00 H new ATOM 0 HB1 ALA A 105 81.175 38.818 -23.227 1.00 0.00 H new ATOM 0 HB2 ALA A 105 81.940 38.857 -24.833 1.00 0.00 H new ATOM 0 HB3 ALA A 105 80.645 37.685 -24.493 1.00 0.00 H new ATOM 1348 N ILE A 106 81.363 35.221 -22.747 1.00 0.00 N ATOM 1349 CA ILE A 106 80.810 34.287 -21.759 1.00 0.00 C ATOM 1350 C ILE A 106 81.943 33.461 -21.149 1.00 0.00 C ATOM 1351 O ILE A 106 82.037 33.402 -19.929 1.00 0.00 O ATOM 1352 CB ILE A 106 79.675 33.437 -22.382 1.00 0.00 C ATOM 1353 CG1 ILE A 106 78.380 34.262 -22.566 1.00 0.00 C ATOM 1354 CG2 ILE A 106 79.318 32.216 -21.512 1.00 0.00 C ATOM 1355 CD1 ILE A 106 78.451 35.425 -23.565 1.00 0.00 C ATOM 0 H ILE A 106 81.177 34.943 -23.711 1.00 0.00 H new ATOM 0 HA ILE A 106 80.344 34.835 -20.940 1.00 0.00 H new ATOM 0 HB ILE A 106 80.058 33.107 -23.348 1.00 0.00 H new ATOM 0 HG12 ILE A 106 77.586 33.586 -22.884 1.00 0.00 H new ATOM 0 HG13 ILE A 106 78.088 34.662 -21.595 1.00 0.00 H new ATOM 0 HG21 ILE A 106 78.518 31.651 -21.989 1.00 0.00 H new ATOM 0 HG22 ILE A 106 80.196 31.579 -21.401 1.00 0.00 H new ATOM 0 HG23 ILE A 106 78.988 32.553 -20.530 1.00 0.00 H new ATOM 0 HD11 ILE A 106 77.485 35.927 -23.608 1.00 0.00 H new ATOM 0 HD12 ILE A 106 79.215 36.134 -23.245 1.00 0.00 H new ATOM 0 HD13 ILE A 106 78.704 35.041 -24.553 1.00 0.00 H new ATOM 1367 N PHE A 107 82.857 32.916 -21.957 1.00 0.00 N ATOM 1368 CA PHE A 107 84.045 32.204 -21.452 1.00 0.00 C ATOM 1369 C PHE A 107 84.889 33.080 -20.511 1.00 0.00 C ATOM 1370 O PHE A 107 85.322 32.629 -19.451 1.00 0.00 O ATOM 1371 CB PHE A 107 84.955 31.767 -22.611 1.00 0.00 C ATOM 1372 CG PHE A 107 84.354 30.968 -23.751 1.00 0.00 C ATOM 1373 CD1 PHE A 107 83.290 30.065 -23.556 1.00 0.00 C ATOM 1374 CD2 PHE A 107 84.912 31.120 -25.033 1.00 0.00 C ATOM 1375 CE1 PHE A 107 82.795 29.316 -24.639 1.00 0.00 C ATOM 1376 CE2 PHE A 107 84.404 30.388 -26.120 1.00 0.00 C ATOM 1377 CZ PHE A 107 83.352 29.478 -25.920 1.00 0.00 C ATOM 0 H PHE A 107 82.799 32.953 -22.975 1.00 0.00 H new ATOM 0 HA PHE A 107 83.668 31.339 -20.906 1.00 0.00 H new ATOM 0 HB2 PHE A 107 85.401 32.666 -23.037 1.00 0.00 H new ATOM 0 HB3 PHE A 107 85.768 31.177 -22.188 1.00 0.00 H new ATOM 0 HD1 PHE A 107 82.854 29.948 -22.575 1.00 0.00 H new ATOM 0 HD2 PHE A 107 85.735 31.803 -25.183 1.00 0.00 H new ATOM 0 HE1 PHE A 107 81.987 28.616 -24.487 1.00 0.00 H new ATOM 0 HE2 PHE A 107 84.821 30.525 -27.107 1.00 0.00 H new ATOM 0 HZ PHE A 107 82.971 28.903 -26.751 1.00 0.00 H new ATOM 1387 N ARG A 108 85.119 34.345 -20.901 1.00 0.00 N ATOM 1388 CA ARG A 108 85.987 35.290 -20.191 1.00 0.00 C ATOM 1389 C ARG A 108 85.360 35.783 -18.880 1.00 0.00 C ATOM 1390 O ARG A 108 86.055 35.850 -17.867 1.00 0.00 O ATOM 1391 CB ARG A 108 86.352 36.392 -21.206 1.00 0.00 C ATOM 1392 CG ARG A 108 87.579 37.239 -20.851 1.00 0.00 C ATOM 1393 CD ARG A 108 87.332 38.351 -19.822 1.00 0.00 C ATOM 1394 NE ARG A 108 88.544 39.176 -19.635 1.00 0.00 N ATOM 1395 CZ ARG A 108 88.714 40.154 -18.760 1.00 0.00 C ATOM 1396 NH1 ARG A 108 87.773 40.520 -17.934 1.00 0.00 N ATOM 1397 NH2 ARG A 108 89.848 40.790 -18.699 1.00 0.00 N ATOM 0 H ARG A 108 84.695 34.745 -21.738 1.00 0.00 H new ATOM 0 HA ARG A 108 86.907 34.819 -19.844 1.00 0.00 H new ATOM 0 HB2 ARG A 108 86.523 35.925 -22.176 1.00 0.00 H new ATOM 0 HB3 ARG A 108 85.495 37.056 -21.319 1.00 0.00 H new ATOM 0 HG2 ARG A 108 88.358 36.579 -20.469 1.00 0.00 H new ATOM 0 HG3 ARG A 108 87.965 37.691 -21.765 1.00 0.00 H new ATOM 0 HD2 ARG A 108 86.506 38.981 -20.153 1.00 0.00 H new ATOM 0 HD3 ARG A 108 87.036 37.911 -18.870 1.00 0.00 H new ATOM 0 HE ARG A 108 89.334 38.969 -20.246 1.00 0.00 H new ATOM 0 HH11 ARG A 108 86.869 40.048 -17.949 1.00 0.00 H new ATOM 0 HH12 ARG A 108 87.941 41.279 -17.273 1.00 0.00 H new ATOM 0 HH21 ARG A 108 90.610 40.535 -19.327 1.00 0.00 H new ATOM 0 HH22 ARG A 108 89.975 41.543 -18.023 1.00 0.00 H new ATOM 1411 N ARG A 109 84.047 36.065 -18.866 1.00 0.00 N ATOM 1412 CA ARG A 109 83.299 36.405 -17.631 1.00 0.00 C ATOM 1413 C ARG A 109 83.085 35.197 -16.709 1.00 0.00 C ATOM 1414 O ARG A 109 83.170 35.336 -15.488 1.00 0.00 O ATOM 1415 CB ARG A 109 81.940 37.022 -17.996 1.00 0.00 C ATOM 1416 CG ARG A 109 82.084 38.470 -18.484 1.00 0.00 C ATOM 1417 CD ARG A 109 80.753 38.993 -19.041 1.00 0.00 C ATOM 1418 NE ARG A 109 80.781 40.459 -19.237 1.00 0.00 N ATOM 1419 CZ ARG A 109 81.400 41.154 -20.178 1.00 0.00 C ATOM 1420 NH1 ARG A 109 82.119 40.586 -21.105 1.00 0.00 N ATOM 1421 NH2 ARG A 109 81.308 42.451 -20.199 1.00 0.00 N ATOM 0 H ARG A 109 83.469 36.065 -19.706 1.00 0.00 H new ATOM 0 HA ARG A 109 83.907 37.124 -17.082 1.00 0.00 H new ATOM 0 HB2 ARG A 109 81.465 36.422 -18.773 1.00 0.00 H new ATOM 0 HB3 ARG A 109 81.283 36.995 -17.126 1.00 0.00 H new ATOM 0 HG2 ARG A 109 82.413 39.105 -17.661 1.00 0.00 H new ATOM 0 HG3 ARG A 109 82.852 38.524 -19.255 1.00 0.00 H new ATOM 0 HD2 ARG A 109 80.538 38.503 -19.991 1.00 0.00 H new ATOM 0 HD3 ARG A 109 79.945 38.732 -18.358 1.00 0.00 H new ATOM 0 HE ARG A 109 80.254 41.007 -18.557 1.00 0.00 H new ATOM 0 HH11 ARG A 109 82.220 39.571 -21.122 1.00 0.00 H new ATOM 0 HH12 ARG A 109 82.581 41.156 -21.813 1.00 0.00 H new ATOM 0 HH21 ARG A 109 80.758 42.935 -19.489 1.00 0.00 H new ATOM 0 HH22 ARG A 109 81.786 42.984 -20.925 1.00 0.00 H new ATOM 1435 N TYR A 110 82.813 34.031 -17.295 1.00 0.00 N ATOM 1436 CA TYR A 110 82.308 32.834 -16.618 1.00 0.00 C ATOM 1437 C TYR A 110 83.130 31.589 -17.018 1.00 0.00 C ATOM 1438 O TYR A 110 82.696 30.795 -17.859 1.00 0.00 O ATOM 1439 CB TYR A 110 80.808 32.696 -16.935 1.00 0.00 C ATOM 1440 CG TYR A 110 79.988 33.948 -16.680 1.00 0.00 C ATOM 1441 CD1 TYR A 110 79.901 34.483 -15.381 1.00 0.00 C ATOM 1442 CD2 TYR A 110 79.351 34.603 -17.753 1.00 0.00 C ATOM 1443 CE1 TYR A 110 79.186 35.676 -15.162 1.00 0.00 C ATOM 1444 CE2 TYR A 110 78.620 35.788 -17.533 1.00 0.00 C ATOM 1445 CZ TYR A 110 78.536 36.328 -16.231 1.00 0.00 C ATOM 1446 OH TYR A 110 77.837 37.473 -15.998 1.00 0.00 O ATOM 0 H TYR A 110 82.944 33.888 -18.296 1.00 0.00 H new ATOM 0 HA TYR A 110 82.422 32.926 -15.538 1.00 0.00 H new ATOM 0 HB2 TYR A 110 80.696 32.412 -17.981 1.00 0.00 H new ATOM 0 HB3 TYR A 110 80.398 31.882 -16.338 1.00 0.00 H new ATOM 0 HD1 TYR A 110 80.381 33.980 -14.555 1.00 0.00 H new ATOM 0 HD2 TYR A 110 79.423 34.194 -18.750 1.00 0.00 H new ATOM 0 HE1 TYR A 110 79.135 36.095 -14.168 1.00 0.00 H new ATOM 0 HE2 TYR A 110 78.126 36.281 -18.357 1.00 0.00 H new ATOM 0 HH TYR A 110 77.451 37.797 -16.838 1.00 0.00 H new ATOM 1456 N PRO A 111 84.326 31.383 -16.430 1.00 0.00 N ATOM 1457 CA PRO A 111 85.244 30.310 -16.835 1.00 0.00 C ATOM 1458 C PRO A 111 84.718 28.892 -16.542 1.00 0.00 C ATOM 1459 O PRO A 111 85.214 27.925 -17.122 1.00 0.00 O ATOM 1460 CB PRO A 111 86.556 30.605 -16.101 1.00 0.00 C ATOM 1461 CG PRO A 111 86.109 31.374 -14.859 1.00 0.00 C ATOM 1462 CD PRO A 111 84.931 32.193 -15.380 1.00 0.00 C ATOM 0 HA PRO A 111 85.370 30.307 -17.918 1.00 0.00 H new ATOM 0 HB2 PRO A 111 87.082 29.688 -15.837 1.00 0.00 H new ATOM 0 HB3 PRO A 111 87.235 31.196 -16.716 1.00 0.00 H new ATOM 0 HG2 PRO A 111 85.811 30.704 -14.053 1.00 0.00 H new ATOM 0 HG3 PRO A 111 86.903 32.010 -14.468 1.00 0.00 H new ATOM 0 HD2 PRO A 111 84.216 32.401 -14.584 1.00 0.00 H new ATOM 0 HD3 PRO A 111 85.264 33.155 -15.769 1.00 0.00 H new ATOM 1470 N HIS A 112 83.693 28.752 -15.689 1.00 0.00 N ATOM 1471 CA HIS A 112 82.995 27.483 -15.443 1.00 0.00 C ATOM 1472 C HIS A 112 82.076 27.061 -16.608 1.00 0.00 C ATOM 1473 O HIS A 112 81.771 25.875 -16.754 1.00 0.00 O ATOM 1474 CB HIS A 112 82.181 27.613 -14.146 1.00 0.00 C ATOM 1475 CG HIS A 112 80.872 28.346 -14.321 1.00 0.00 C ATOM 1476 ND1 HIS A 112 80.723 29.683 -14.714 1.00 0.00 N ATOM 1477 CD2 HIS A 112 79.642 27.760 -14.262 1.00 0.00 C ATOM 1478 CE1 HIS A 112 79.399 29.872 -14.854 1.00 0.00 C ATOM 1479 NE2 HIS A 112 78.735 28.740 -14.585 1.00 0.00 N ATOM 0 H HIS A 112 83.321 29.529 -15.143 1.00 0.00 H new ATOM 0 HA HIS A 112 83.749 26.701 -15.352 1.00 0.00 H new ATOM 0 HB2 HIS A 112 81.979 26.617 -13.753 1.00 0.00 H new ATOM 0 HB3 HIS A 112 82.782 28.134 -13.401 1.00 0.00 H new ATOM 0 HD2 HIS A 112 79.425 26.732 -14.012 1.00 0.00 H new ATOM 0 HE1 HIS A 112 78.936 30.804 -15.142 1.00 0.00 H new ATOM 0 HE2 HIS A 112 77.722 28.625 -14.615 1.00 0.00 H new ATOM 1487 N LEU A 113 81.624 28.023 -17.424 1.00 0.00 N ATOM 1488 CA LEU A 113 80.641 27.842 -18.487 1.00 0.00 C ATOM 1489 C LEU A 113 81.269 27.252 -19.774 1.00 0.00 C ATOM 1490 O LEU A 113 80.592 26.543 -20.524 1.00 0.00 O ATOM 1491 CB LEU A 113 79.980 29.225 -18.705 1.00 0.00 C ATOM 1492 CG LEU A 113 78.468 29.244 -18.971 1.00 0.00 C ATOM 1493 CD1 LEU A 113 78.106 28.389 -20.176 1.00 0.00 C ATOM 1494 CD2 LEU A 113 77.657 28.810 -17.758 1.00 0.00 C ATOM 0 H LEU A 113 81.951 28.987 -17.354 1.00 0.00 H new ATOM 0 HA LEU A 113 79.887 27.107 -18.206 1.00 0.00 H new ATOM 0 HB2 LEU A 113 80.176 29.836 -17.824 1.00 0.00 H new ATOM 0 HB3 LEU A 113 80.477 29.709 -19.546 1.00 0.00 H new ATOM 0 HG LEU A 113 78.210 30.281 -19.186 1.00 0.00 H new ATOM 0 HD11 LEU A 113 77.028 28.424 -20.337 1.00 0.00 H new ATOM 0 HD12 LEU A 113 78.617 28.771 -21.060 1.00 0.00 H new ATOM 0 HD13 LEU A 113 78.412 27.359 -19.996 1.00 0.00 H new ATOM 0 HD21 LEU A 113 76.595 28.842 -18.000 1.00 0.00 H new ATOM 0 HD22 LEU A 113 77.935 27.794 -17.479 1.00 0.00 H new ATOM 0 HD23 LEU A 113 77.859 29.483 -16.925 1.00 0.00 H new ATOM 1506 N ARG A 114 82.567 27.505 -20.012 1.00 0.00 N ATOM 1507 CA ARG A 114 83.340 26.941 -21.134 1.00 0.00 C ATOM 1508 C ARG A 114 83.504 25.413 -21.021 1.00 0.00 C ATOM 1509 O ARG A 114 83.960 24.920 -19.961 1.00 0.00 O ATOM 1510 CB ARG A 114 84.696 27.659 -21.255 1.00 0.00 C ATOM 1511 CG ARG A 114 85.489 27.163 -22.476 1.00 0.00 C ATOM 1512 CD ARG A 114 86.740 28.014 -22.729 1.00 0.00 C ATOM 1513 NE ARG A 114 87.627 27.392 -23.731 1.00 0.00 N ATOM 1514 CZ ARG A 114 87.490 27.377 -25.045 1.00 0.00 C ATOM 1515 NH1 ARG A 114 86.500 27.960 -25.658 1.00 0.00 N ATOM 1516 NH2 ARG A 114 88.365 26.757 -25.781 1.00 0.00 N ATOM 1517 OXT ARG A 114 83.188 24.707 -22.007 1.00 0.00 O ATOM 0 H ARG A 114 83.121 28.121 -19.417 1.00 0.00 H new ATOM 0 HA ARG A 114 82.778 27.114 -22.051 1.00 0.00 H new ATOM 0 HB2 ARG A 114 84.534 28.734 -21.337 1.00 0.00 H new ATOM 0 HB3 ARG A 114 85.279 27.493 -20.349 1.00 0.00 H new ATOM 0 HG2 ARG A 114 85.781 26.124 -22.322 1.00 0.00 H new ATOM 0 HG3 ARG A 114 84.849 27.186 -23.358 1.00 0.00 H new ATOM 0 HD2 ARG A 114 86.443 29.006 -23.071 1.00 0.00 H new ATOM 0 HD3 ARG A 114 87.284 28.149 -21.794 1.00 0.00 H new ATOM 0 HE ARG A 114 88.449 26.914 -23.363 1.00 0.00 H new ATOM 0 HH11 ARG A 114 85.788 28.455 -25.121 1.00 0.00 H new ATOM 0 HH12 ARG A 114 86.436 27.921 -26.675 1.00 0.00 H new ATOM 0 HH21 ARG A 114 89.155 26.283 -25.344 1.00 0.00 H new ATOM 0 HH22 ARG A 114 88.261 26.744 -26.796 1.00 0.00 H new