USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 713 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 57 THR OG1 : rot 180:sc= 0.546 USER MOD Set 1.2: A 128 HIS : no HD1:sc= -3.19! C(o=-2.6!,f=-6.4!) USER MOD Set 2.1: A 73 THR OG1 : rot -79:sc= 0.61 USER MOD Set 2.2: A 76 HIS : no HD1:sc= -0.461 K(o=0.15,f=-0.76) USER MOD Set 3.1: A 44 MET CE :methyl 151:sc= -0.859 (180deg=-1.63!) USER MOD Set 3.2: A 47 GLN :FLIP amide:sc= -0.127 F(o=-2.1!,f=-0.99) USER MOD Single : A 45 MET CE :methyl -156:sc= -9.39! (180deg=-12.1!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.2) USER MOD Single : A 52 THR OG1 : rot -29:sc= 0.26 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00547) USER MOD Single : A 60 GLN : amide:sc= -4.98! C(o=-5!,f=-6.4!) USER MOD Single : A 61 GLN : amide:sc= -0.379 X(o=-0.38,f=-0.072) USER MOD Single : A 67 LYS NZ :NH3+ 167:sc= -0.133 (180deg=-0.719) USER MOD Single : A 71 GLN :FLIP amide:sc= -7.58! C(o=-8.7!,f=-7.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -162:sc= -0.371 (180deg=-1.31) USER MOD Single : A 86 ASN :FLIP amide:sc= -1.28 F(o=-2.3!,f=-1.3) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.877 X(o=-0.88,f=-0.42) USER MOD Single : A 97 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0873) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -111:sc= -1.11 (180deg=-2.23!) USER MOD Single : A 101 SER OG : rot 3:sc= 0.578 USER MOD Single : A 106 CYS SG : rot -20:sc= -0.183 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 CYS SG : rot 180:sc= -0.648 USER MOD Single : A 133 GLN :FLIP amide:sc= -2.87! C(o=-4.5!,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 223 N MET A 44 -13.388 -1.800 2.030 1.00 0.41 N ATOM 224 CA MET A 44 -12.726 -1.618 3.313 1.00 0.41 C ATOM 225 C MET A 44 -11.491 -0.743 3.142 1.00 0.31 C ATOM 226 O MET A 44 -11.344 0.255 3.826 1.00 0.28 O ATOM 227 CB MET A 44 -12.324 -2.964 3.925 1.00 0.50 C ATOM 228 CG MET A 44 -13.494 -3.868 4.302 1.00 0.82 C ATOM 229 SD MET A 44 -14.577 -3.163 5.567 1.00 1.59 S ATOM 230 CE MET A 44 -15.793 -2.297 4.566 1.00 1.62 C ATOM 0 HA MET A 44 -13.429 -1.130 3.989 1.00 0.41 H new ATOM 0 HB2 MET A 44 -11.687 -3.494 3.217 1.00 0.50 H new ATOM 0 HB3 MET A 44 -11.724 -2.778 4.816 1.00 0.50 H new ATOM 0 HG2 MET A 44 -14.082 -4.078 3.409 1.00 0.82 H new ATOM 0 HG3 MET A 44 -13.105 -4.821 4.659 1.00 0.82 H new ATOM 0 HE1 MET A 44 -16.744 -2.264 5.097 1.00 1.62 H new ATOM 0 HE2 MET A 44 -15.449 -1.281 4.374 1.00 1.62 H new ATOM 0 HE3 MET A 44 -15.924 -2.820 3.619 1.00 1.62 H new ATOM 240 N MET A 45 -10.603 -1.116 2.227 1.00 0.28 N ATOM 241 CA MET A 45 -9.412 -0.311 1.967 1.00 0.22 C ATOM 242 C MET A 45 -9.780 1.043 1.367 1.00 0.20 C ATOM 243 O MET A 45 -9.083 2.025 1.574 1.00 0.20 O ATOM 244 CB MET A 45 -8.440 -1.031 1.033 1.00 0.24 C ATOM 245 CG MET A 45 -8.952 -1.159 -0.388 1.00 0.32 C ATOM 246 SD MET A 45 -8.006 -2.317 -1.384 1.00 0.98 S ATOM 247 CE MET A 45 -6.380 -1.605 -1.235 1.00 0.22 C ATOM 0 H MET A 45 -10.682 -1.959 1.659 1.00 0.28 H new ATOM 0 HA MET A 45 -8.923 -0.154 2.928 1.00 0.22 H new ATOM 0 HB2 MET A 45 -7.492 -0.493 1.022 1.00 0.24 H new ATOM 0 HB3 MET A 45 -8.237 -2.026 1.429 1.00 0.24 H new ATOM 0 HG2 MET A 45 -9.994 -1.478 -0.364 1.00 0.32 H new ATOM 0 HG3 MET A 45 -8.930 -0.179 -0.864 1.00 0.32 H new ATOM 0 HE1 MET A 45 -5.771 -1.908 -2.087 1.00 0.22 H new ATOM 0 HE2 MET A 45 -6.459 -0.518 -1.214 1.00 0.22 H new ATOM 0 HE3 MET A 45 -5.914 -1.953 -0.313 1.00 0.22 H new ATOM 257 N SER A 46 -10.850 1.099 0.602 1.00 0.24 N ATOM 258 CA SER A 46 -11.289 2.361 0.042 1.00 0.30 C ATOM 259 C SER A 46 -11.582 3.359 1.160 1.00 0.27 C ATOM 260 O SER A 46 -11.147 4.508 1.108 1.00 0.30 O ATOM 261 CB SER A 46 -12.508 2.157 -0.854 1.00 0.39 C ATOM 262 OG SER A 46 -12.743 3.298 -1.664 1.00 0.53 O ATOM 0 H SER A 46 -11.427 0.295 0.355 1.00 0.24 H new ATOM 0 HA SER A 46 -10.490 2.769 -0.576 1.00 0.30 H new ATOM 0 HB2 SER A 46 -12.356 1.283 -1.487 1.00 0.39 H new ATOM 0 HB3 SER A 46 -13.386 1.956 -0.239 1.00 0.39 H new ATOM 0 HG SER A 46 -13.528 3.142 -2.230 1.00 0.53 H new ATOM 268 N GLN A 47 -12.311 2.923 2.175 1.00 0.25 N ATOM 269 CA GLN A 47 -12.545 3.769 3.333 1.00 0.27 C ATOM 270 C GLN A 47 -11.307 3.835 4.244 1.00 0.24 C ATOM 271 O GLN A 47 -10.878 4.916 4.633 1.00 0.29 O ATOM 272 CB GLN A 47 -13.795 3.308 4.105 1.00 0.30 C ATOM 273 CG GLN A 47 -13.708 1.890 4.647 1.00 0.33 C ATOM 274 CD GLN A 47 -15.015 1.382 5.226 1.00 0.43 C ATOM 275 OE1 GLN A 47 -16.130 1.809 4.656 1.00 1.10 O flip ATOM 276 NE2 GLN A 47 -15.017 0.589 6.165 1.00 1.11 N flip ATOM 0 H GLN A 47 -12.745 2.001 2.221 1.00 0.25 H new ATOM 0 HA GLN A 47 -12.731 4.782 2.975 1.00 0.27 H new ATOM 0 HB2 GLN A 47 -13.967 3.992 4.936 1.00 0.30 H new ATOM 0 HB3 GLN A 47 -14.661 3.381 3.447 1.00 0.30 H new ATOM 0 HG2 GLN A 47 -13.391 1.222 3.846 1.00 0.33 H new ATOM 0 HG3 GLN A 47 -12.939 1.851 5.418 1.00 0.33 H new ATOM 0 HE21 GLN A 47 -14.135 0.284 6.577 1.00 1.11 H new ATOM 0 HE22 GLN A 47 -15.901 0.236 6.532 1.00 1.11 H new ATOM 285 N ALA A 48 -10.734 2.678 4.579 1.00 0.21 N ATOM 286 CA ALA A 48 -9.610 2.615 5.515 1.00 0.22 C ATOM 287 C ALA A 48 -8.311 3.147 4.925 1.00 0.20 C ATOM 288 O ALA A 48 -7.707 4.054 5.491 1.00 0.22 O ATOM 289 CB ALA A 48 -9.391 1.191 6.000 1.00 0.24 C ATOM 0 H ALA A 48 -11.030 1.772 4.216 1.00 0.21 H new ATOM 0 HA ALA A 48 -9.881 3.259 6.352 1.00 0.22 H new ATOM 0 HB1 ALA A 48 -8.551 1.168 6.694 1.00 0.24 H new ATOM 0 HB2 ALA A 48 -10.289 0.837 6.506 1.00 0.24 H new ATOM 0 HB3 ALA A 48 -9.175 0.546 5.148 1.00 0.24 H new ATOM 295 N LEU A 49 -7.891 2.612 3.781 1.00 0.18 N ATOM 296 CA LEU A 49 -6.583 2.933 3.214 1.00 0.18 C ATOM 297 C LEU A 49 -6.552 4.332 2.663 1.00 0.19 C ATOM 298 O LEU A 49 -5.715 5.147 3.041 1.00 0.21 O ATOM 299 CB LEU A 49 -6.223 1.988 2.063 1.00 0.23 C ATOM 300 CG LEU A 49 -5.168 0.944 2.366 1.00 0.19 C ATOM 301 CD1 LEU A 49 -4.750 0.287 1.075 1.00 0.47 C ATOM 302 CD2 LEU A 49 -3.971 1.547 3.096 1.00 0.58 C ATOM 0 H LEU A 49 -8.438 1.953 3.227 1.00 0.18 H new ATOM 0 HA LEU A 49 -5.868 2.828 4.030 1.00 0.18 H new ATOM 0 HB2 LEU A 49 -7.130 1.476 1.742 1.00 0.23 H new ATOM 0 HB3 LEU A 49 -5.880 2.588 1.220 1.00 0.23 H new ATOM 0 HG LEU A 49 -5.590 0.194 3.035 1.00 0.19 H new ATOM 0 HD11 LEU A 49 -3.990 -0.467 1.280 1.00 0.47 H new ATOM 0 HD12 LEU A 49 -5.615 -0.186 0.611 1.00 0.47 H new ATOM 0 HD13 LEU A 49 -4.342 1.039 0.400 1.00 0.47 H new ATOM 0 HD21 LEU A 49 -3.236 0.767 3.296 1.00 0.58 H new ATOM 0 HD22 LEU A 49 -3.519 2.321 2.476 1.00 0.58 H new ATOM 0 HD23 LEU A 49 -4.302 1.984 4.038 1.00 0.58 H new ATOM 314 N LYS A 50 -7.466 4.596 1.748 1.00 0.19 N ATOM 315 CA LYS A 50 -7.447 5.827 0.991 1.00 0.21 C ATOM 316 C LYS A 50 -7.543 7.035 1.926 1.00 0.23 C ATOM 317 O LYS A 50 -7.043 8.122 1.623 1.00 0.27 O ATOM 318 CB LYS A 50 -8.568 5.808 -0.052 1.00 0.22 C ATOM 319 CG LYS A 50 -8.635 4.498 -0.828 1.00 0.20 C ATOM 320 CD LYS A 50 -7.321 4.195 -1.543 1.00 0.21 C ATOM 321 CE LYS A 50 -7.030 5.204 -2.644 1.00 0.24 C ATOM 322 NZ LYS A 50 -7.833 4.947 -3.865 1.00 0.55 N ATOM 0 H LYS A 50 -8.234 3.968 1.512 1.00 0.19 H new ATOM 0 HA LYS A 50 -6.500 5.915 0.459 1.00 0.21 H new ATOM 0 HB2 LYS A 50 -9.523 5.979 0.445 1.00 0.22 H new ATOM 0 HB3 LYS A 50 -8.421 6.631 -0.751 1.00 0.22 H new ATOM 0 HG2 LYS A 50 -8.874 3.683 -0.145 1.00 0.20 H new ATOM 0 HG3 LYS A 50 -9.443 4.549 -1.558 1.00 0.20 H new ATOM 0 HD2 LYS A 50 -6.505 4.200 -0.821 1.00 0.21 H new ATOM 0 HD3 LYS A 50 -7.362 3.193 -1.970 1.00 0.21 H new ATOM 0 HE2 LYS A 50 -7.239 6.209 -2.278 1.00 0.24 H new ATOM 0 HE3 LYS A 50 -5.970 5.170 -2.895 1.00 0.24 H new ATOM 0 HZ1 LYS A 50 -7.519 5.581 -4.627 1.00 0.55 H new ATOM 0 HZ2 LYS A 50 -7.706 3.959 -4.163 1.00 0.55 H new ATOM 0 HZ3 LYS A 50 -8.838 5.121 -3.662 1.00 0.55 H new ATOM 336 N ALA A 51 -8.182 6.824 3.069 1.00 0.22 N ATOM 337 CA ALA A 51 -8.238 7.830 4.120 1.00 0.23 C ATOM 338 C ALA A 51 -6.940 7.872 4.936 1.00 0.23 C ATOM 339 O ALA A 51 -6.408 8.945 5.217 1.00 0.26 O ATOM 340 CB ALA A 51 -9.422 7.576 5.034 1.00 0.25 C ATOM 0 H ALA A 51 -8.672 5.958 3.292 1.00 0.22 H new ATOM 0 HA ALA A 51 -8.360 8.800 3.638 1.00 0.23 H new ATOM 0 HB1 ALA A 51 -9.449 8.337 5.814 1.00 0.25 H new ATOM 0 HB2 ALA A 51 -10.344 7.617 4.455 1.00 0.25 H new ATOM 0 HB3 ALA A 51 -9.324 6.591 5.491 1.00 0.25 H new ATOM 346 N THR A 52 -6.423 6.694 5.289 1.00 0.21 N ATOM 347 CA THR A 52 -5.334 6.583 6.263 1.00 0.22 C ATOM 348 C THR A 52 -3.991 7.039 5.702 1.00 0.21 C ATOM 349 O THR A 52 -3.041 7.231 6.457 1.00 0.23 O ATOM 350 CB THR A 52 -5.178 5.129 6.775 1.00 0.22 C ATOM 351 OG1 THR A 52 -4.302 5.096 7.910 1.00 0.27 O ATOM 352 CG2 THR A 52 -4.620 4.215 5.686 1.00 0.18 C ATOM 0 H THR A 52 -6.742 5.800 4.914 1.00 0.21 H new ATOM 0 HA THR A 52 -5.613 7.243 7.085 1.00 0.22 H new ATOM 0 HB THR A 52 -6.167 4.771 7.060 1.00 0.22 H new ATOM 0 HG1 THR A 52 -3.655 5.829 7.845 1.00 0.27 H new ATOM 0 HG21 THR A 52 -4.522 3.202 6.076 1.00 0.18 H new ATOM 0 HG22 THR A 52 -5.297 4.211 4.832 1.00 0.18 H new ATOM 0 HG23 THR A 52 -3.642 4.579 5.372 1.00 0.18 H new ATOM 360 N PHE A 53 -3.920 7.241 4.391 1.00 0.23 N ATOM 361 CA PHE A 53 -2.641 7.449 3.710 1.00 0.27 C ATOM 362 C PHE A 53 -1.803 8.570 4.314 1.00 0.32 C ATOM 363 O PHE A 53 -0.572 8.532 4.230 1.00 0.34 O ATOM 364 CB PHE A 53 -2.847 7.710 2.220 1.00 0.31 C ATOM 365 CG PHE A 53 -3.269 6.493 1.461 1.00 0.32 C ATOM 366 CD1 PHE A 53 -2.708 5.262 1.743 1.00 0.30 C ATOM 367 CD2 PHE A 53 -4.222 6.576 0.469 1.00 0.36 C ATOM 368 CE1 PHE A 53 -3.091 4.136 1.046 1.00 0.34 C ATOM 369 CE2 PHE A 53 -4.607 5.451 -0.229 1.00 0.39 C ATOM 370 CZ PHE A 53 -4.041 4.231 0.058 1.00 0.38 C ATOM 0 H PHE A 53 -4.733 7.266 3.775 1.00 0.23 H new ATOM 0 HA PHE A 53 -2.084 6.522 3.849 1.00 0.27 H new ATOM 0 HB2 PHE A 53 -3.601 8.488 2.095 1.00 0.31 H new ATOM 0 HB3 PHE A 53 -1.920 8.093 1.793 1.00 0.31 H new ATOM 0 HD1 PHE A 53 -1.961 5.181 2.519 1.00 0.30 H new ATOM 0 HD2 PHE A 53 -4.671 7.530 0.236 1.00 0.36 H new ATOM 0 HE1 PHE A 53 -2.645 3.180 1.276 1.00 0.34 H new ATOM 0 HE2 PHE A 53 -5.356 5.528 -1.004 1.00 0.39 H new ATOM 0 HZ PHE A 53 -4.342 3.351 -0.491 1.00 0.38 H new ATOM 380 N SER A 54 -2.455 9.545 4.931 1.00 0.36 N ATOM 381 CA SER A 54 -1.744 10.659 5.536 1.00 0.44 C ATOM 382 C SER A 54 -0.832 10.163 6.659 1.00 0.39 C ATOM 383 O SER A 54 0.155 10.807 6.984 1.00 0.46 O ATOM 384 CB SER A 54 -2.733 11.704 6.068 1.00 0.55 C ATOM 385 OG SER A 54 -2.073 12.911 6.419 1.00 1.37 O ATOM 0 H SER A 54 -3.470 9.586 5.025 1.00 0.36 H new ATOM 0 HA SER A 54 -1.126 11.130 4.772 1.00 0.44 H new ATOM 0 HB2 SER A 54 -3.490 11.909 5.311 1.00 0.55 H new ATOM 0 HB3 SER A 54 -3.252 11.305 6.939 1.00 0.55 H new ATOM 0 HG SER A 54 -2.729 13.558 6.753 1.00 1.37 H new ATOM 391 N GLY A 55 -1.154 9.002 7.222 1.00 0.31 N ATOM 392 CA GLY A 55 -0.351 8.432 8.289 1.00 0.28 C ATOM 393 C GLY A 55 1.117 8.299 7.922 1.00 0.22 C ATOM 394 O GLY A 55 1.979 8.930 8.539 1.00 0.25 O ATOM 0 H GLY A 55 -1.964 8.442 6.955 1.00 0.31 H new ATOM 0 HA2 GLY A 55 -0.442 9.056 9.178 1.00 0.28 H new ATOM 0 HA3 GLY A 55 -0.745 7.449 8.548 1.00 0.28 H new ATOM 398 N PHE A 56 1.409 7.491 6.910 1.00 0.15 N ATOM 399 CA PHE A 56 2.788 7.271 6.501 1.00 0.12 C ATOM 400 C PHE A 56 3.285 8.422 5.656 1.00 0.13 C ATOM 401 O PHE A 56 4.342 8.951 5.907 1.00 0.17 O ATOM 402 CB PHE A 56 2.943 5.970 5.713 1.00 0.13 C ATOM 403 CG PHE A 56 4.346 5.741 5.214 1.00 0.16 C ATOM 404 CD1 PHE A 56 5.313 5.208 6.051 1.00 0.23 C ATOM 405 CD2 PHE A 56 4.700 6.078 3.916 1.00 0.20 C ATOM 406 CE1 PHE A 56 6.606 5.013 5.605 1.00 0.28 C ATOM 407 CE2 PHE A 56 5.991 5.885 3.464 1.00 0.26 C ATOM 408 CZ PHE A 56 6.945 5.352 4.310 1.00 0.28 C ATOM 0 H PHE A 56 0.715 6.982 6.362 1.00 0.15 H new ATOM 0 HA PHE A 56 3.382 7.200 7.412 1.00 0.12 H new ATOM 0 HB2 PHE A 56 2.648 5.133 6.345 1.00 0.13 H new ATOM 0 HB3 PHE A 56 2.260 5.984 4.864 1.00 0.13 H new ATOM 0 HD1 PHE A 56 5.053 4.942 7.065 1.00 0.23 H new ATOM 0 HD2 PHE A 56 3.958 6.496 3.251 1.00 0.20 H new ATOM 0 HE1 PHE A 56 7.350 4.596 6.268 1.00 0.28 H new ATOM 0 HE2 PHE A 56 6.254 6.150 2.451 1.00 0.26 H new ATOM 0 HZ PHE A 56 7.955 5.201 3.959 1.00 0.28 H new ATOM 418 N THR A 57 2.494 8.817 4.676 1.00 0.16 N ATOM 419 CA THR A 57 2.908 9.827 3.699 1.00 0.24 C ATOM 420 C THR A 57 3.305 11.152 4.369 1.00 0.26 C ATOM 421 O THR A 57 4.161 11.882 3.869 1.00 0.35 O ATOM 422 CB THR A 57 1.783 10.074 2.681 1.00 0.32 C ATOM 423 OG1 THR A 57 1.501 8.857 1.964 1.00 0.39 O ATOM 424 CG2 THR A 57 2.148 11.169 1.688 1.00 0.46 C ATOM 0 H THR A 57 1.552 8.455 4.528 1.00 0.16 H new ATOM 0 HA THR A 57 3.788 9.439 3.186 1.00 0.24 H new ATOM 0 HB THR A 57 0.902 10.399 3.235 1.00 0.32 H new ATOM 0 HG1 THR A 57 0.782 9.017 1.317 1.00 0.39 H new ATOM 0 HG21 THR A 57 1.326 11.312 0.986 1.00 0.46 H new ATOM 0 HG22 THR A 57 2.334 12.100 2.224 1.00 0.46 H new ATOM 0 HG23 THR A 57 3.046 10.880 1.141 1.00 0.46 H new ATOM 432 N LYS A 58 2.720 11.425 5.527 1.00 0.24 N ATOM 433 CA LYS A 58 3.020 12.656 6.252 1.00 0.31 C ATOM 434 C LYS A 58 4.345 12.510 6.996 1.00 0.29 C ATOM 435 O LYS A 58 5.175 13.417 7.004 1.00 0.31 O ATOM 436 CB LYS A 58 1.906 12.999 7.238 1.00 0.39 C ATOM 437 CG LYS A 58 2.153 14.265 8.043 1.00 0.50 C ATOM 438 CD LYS A 58 1.078 14.451 9.100 1.00 1.34 C ATOM 439 CE LYS A 58 1.372 15.634 10.006 1.00 1.93 C ATOM 440 NZ LYS A 58 1.279 16.933 9.288 1.00 2.52 N ATOM 0 H LYS A 58 2.040 10.817 5.983 1.00 0.24 H new ATOM 0 HA LYS A 58 3.096 13.468 5.529 1.00 0.31 H new ATOM 0 HB2 LYS A 58 0.971 13.108 6.689 1.00 0.39 H new ATOM 0 HB3 LYS A 58 1.776 12.164 7.926 1.00 0.39 H new ATOM 0 HG2 LYS A 58 3.132 14.213 8.519 1.00 0.50 H new ATOM 0 HG3 LYS A 58 2.168 15.128 7.377 1.00 0.50 H new ATOM 0 HD2 LYS A 58 0.113 14.597 8.614 1.00 1.34 H new ATOM 0 HD3 LYS A 58 0.999 13.545 9.701 1.00 1.34 H new ATOM 0 HE2 LYS A 58 0.671 15.632 10.841 1.00 1.93 H new ATOM 0 HE3 LYS A 58 2.371 15.526 10.428 1.00 1.93 H new ATOM 0 HZ1 LYS A 58 1.454 17.712 9.955 1.00 2.52 H new ATOM 0 HZ2 LYS A 58 1.989 16.961 8.528 1.00 2.52 H new ATOM 0 HZ3 LYS A 58 0.329 17.036 8.878 1.00 2.52 H new ATOM 454 N GLU A 59 4.544 11.341 7.598 1.00 0.26 N ATOM 455 CA GLU A 59 5.744 11.081 8.377 1.00 0.25 C ATOM 456 C GLU A 59 6.875 10.640 7.456 1.00 0.21 C ATOM 457 O GLU A 59 8.046 10.741 7.791 1.00 0.24 O ATOM 458 CB GLU A 59 5.471 10.047 9.475 1.00 0.31 C ATOM 459 CG GLU A 59 6.353 8.821 9.422 1.00 0.43 C ATOM 460 CD GLU A 59 6.243 8.004 10.686 1.00 0.76 C ATOM 461 OE1 GLU A 59 5.322 7.169 10.777 1.00 0.97 O ATOM 462 OE2 GLU A 59 7.059 8.211 11.607 1.00 0.98 O ATOM 0 H GLU A 59 3.888 10.561 7.560 1.00 0.26 H new ATOM 0 HA GLU A 59 6.050 12.002 8.874 1.00 0.25 H new ATOM 0 HB2 GLU A 59 5.597 10.526 10.446 1.00 0.31 H new ATOM 0 HB3 GLU A 59 4.430 9.732 9.407 1.00 0.31 H new ATOM 0 HG2 GLU A 59 6.073 8.207 8.566 1.00 0.43 H new ATOM 0 HG3 GLU A 59 7.389 9.124 9.272 1.00 0.43 H new ATOM 469 N GLN A 60 6.497 10.145 6.294 1.00 0.19 N ATOM 470 CA GLN A 60 7.425 9.821 5.226 1.00 0.19 C ATOM 471 C GLN A 60 8.247 11.047 4.897 1.00 0.22 C ATOM 472 O GLN A 60 9.473 10.998 4.834 1.00 0.23 O ATOM 473 CB GLN A 60 6.629 9.380 4.002 1.00 0.21 C ATOM 474 CG GLN A 60 7.454 9.074 2.778 1.00 0.28 C ATOM 475 CD GLN A 60 6.571 8.806 1.582 1.00 0.40 C ATOM 476 OE1 GLN A 60 5.469 9.344 1.472 1.00 0.90 O ATOM 477 NE2 GLN A 60 7.044 7.978 0.683 1.00 0.26 N ATOM 0 H GLN A 60 5.523 9.953 6.061 1.00 0.19 H new ATOM 0 HA GLN A 60 8.093 9.016 5.533 1.00 0.19 H new ATOM 0 HB2 GLN A 60 6.052 8.493 4.263 1.00 0.21 H new ATOM 0 HB3 GLN A 60 5.913 10.163 3.752 1.00 0.21 H new ATOM 0 HG2 GLN A 60 8.118 9.912 2.564 1.00 0.28 H new ATOM 0 HG3 GLN A 60 8.086 8.207 2.969 1.00 0.28 H new ATOM 0 HE21 GLN A 60 7.962 7.554 0.813 1.00 0.26 H new ATOM 0 HE22 GLN A 60 6.494 7.758 -0.147 1.00 0.26 H new ATOM 486 N GLN A 61 7.544 12.154 4.724 1.00 0.28 N ATOM 487 CA GLN A 61 8.176 13.444 4.501 1.00 0.34 C ATOM 488 C GLN A 61 9.069 13.808 5.689 1.00 0.34 C ATOM 489 O GLN A 61 10.119 14.432 5.536 1.00 0.37 O ATOM 490 CB GLN A 61 7.107 14.518 4.323 1.00 0.45 C ATOM 491 CG GLN A 61 6.193 14.286 3.128 1.00 0.58 C ATOM 492 CD GLN A 61 6.946 14.219 1.813 1.00 0.77 C ATOM 493 OE1 GLN A 61 7.164 15.235 1.153 1.00 1.23 O ATOM 494 NE2 GLN A 61 7.343 13.022 1.415 1.00 1.12 N ATOM 0 H GLN A 61 6.525 12.184 4.734 1.00 0.28 H new ATOM 0 HA GLN A 61 8.787 13.384 3.600 1.00 0.34 H new ATOM 0 HB2 GLN A 61 6.501 14.567 5.228 1.00 0.45 H new ATOM 0 HB3 GLN A 61 7.594 15.487 4.213 1.00 0.45 H new ATOM 0 HG2 GLN A 61 5.642 13.357 3.273 1.00 0.58 H new ATOM 0 HG3 GLN A 61 5.457 15.088 3.079 1.00 0.58 H new ATOM 0 HE21 GLN A 61 7.144 12.202 1.988 1.00 1.12 H new ATOM 0 HE22 GLN A 61 7.848 12.919 0.535 1.00 1.12 H new ATOM 503 N ARG A 62 8.627 13.398 6.872 1.00 0.34 N ATOM 504 CA ARG A 62 9.302 13.715 8.128 1.00 0.39 C ATOM 505 C ARG A 62 10.587 12.899 8.286 1.00 0.36 C ATOM 506 O ARG A 62 11.634 13.430 8.652 1.00 0.41 O ATOM 507 CB ARG A 62 8.351 13.410 9.286 1.00 0.44 C ATOM 508 CG ARG A 62 8.778 13.988 10.621 1.00 0.58 C ATOM 509 CD ARG A 62 8.492 15.478 10.689 1.00 1.13 C ATOM 510 NE ARG A 62 7.063 15.755 10.542 1.00 1.93 N ATOM 511 CZ ARG A 62 6.533 16.973 10.463 1.00 2.74 C ATOM 512 NH1 ARG A 62 7.303 18.054 10.529 1.00 2.99 N ATOM 513 NH2 ARG A 62 5.223 17.108 10.326 1.00 3.73 N ATOM 0 H ARG A 62 7.786 12.833 6.989 1.00 0.34 H new ATOM 0 HA ARG A 62 9.574 14.771 8.127 1.00 0.39 H new ATOM 0 HB2 ARG A 62 7.362 13.795 9.038 1.00 0.44 H new ATOM 0 HB3 ARG A 62 8.256 12.329 9.386 1.00 0.44 H new ATOM 0 HG2 ARG A 62 8.252 13.477 11.427 1.00 0.58 H new ATOM 0 HG3 ARG A 62 9.843 13.812 10.773 1.00 0.58 H new ATOM 0 HD2 ARG A 62 8.845 15.875 11.641 1.00 1.13 H new ATOM 0 HD3 ARG A 62 9.046 15.993 9.904 1.00 1.13 H new ATOM 0 HE ARG A 62 6.428 14.958 10.497 1.00 1.93 H new ATOM 0 HH11 ARG A 62 8.312 17.955 10.641 1.00 2.99 H new ATOM 0 HH12 ARG A 62 6.885 18.982 10.467 1.00 2.99 H new ATOM 0 HH21 ARG A 62 4.627 16.281 10.282 1.00 3.73 H new ATOM 0 HH22 ARG A 62 4.810 18.039 10.265 1.00 3.73 H new ATOM 527 N LEU A 63 10.488 11.606 8.003 1.00 0.30 N ATOM 528 CA LEU A 63 11.615 10.678 8.100 1.00 0.32 C ATOM 529 C LEU A 63 12.590 10.872 6.962 1.00 0.31 C ATOM 530 O LEU A 63 13.539 10.105 6.801 1.00 0.37 O ATOM 531 CB LEU A 63 11.103 9.240 8.123 1.00 0.33 C ATOM 532 CG LEU A 63 10.140 8.919 9.269 1.00 0.40 C ATOM 533 CD1 LEU A 63 9.574 7.517 9.114 1.00 1.01 C ATOM 534 CD2 LEU A 63 10.841 9.064 10.610 1.00 0.65 C ATOM 0 H LEU A 63 9.620 11.166 7.698 1.00 0.30 H new ATOM 0 HA LEU A 63 12.147 10.885 9.029 1.00 0.32 H new ATOM 0 HB2 LEU A 63 10.602 9.033 7.177 1.00 0.33 H new ATOM 0 HB3 LEU A 63 11.957 8.566 8.186 1.00 0.33 H new ATOM 0 HG LEU A 63 9.314 9.629 9.233 1.00 0.40 H new ATOM 0 HD11 LEU A 63 8.892 7.307 9.938 1.00 1.01 H new ATOM 0 HD12 LEU A 63 9.035 7.444 8.169 1.00 1.01 H new ATOM 0 HD13 LEU A 63 10.388 6.793 9.124 1.00 1.01 H new ATOM 0 HD21 LEU A 63 10.142 8.832 11.413 1.00 0.65 H new ATOM 0 HD22 LEU A 63 11.686 8.377 10.655 1.00 0.65 H new ATOM 0 HD23 LEU A 63 11.199 10.087 10.725 1.00 0.65 H new ATOM 546 N GLY A 64 12.356 11.911 6.184 1.00 0.28 N ATOM 547 CA GLY A 64 13.212 12.196 5.061 1.00 0.30 C ATOM 548 C GLY A 64 13.076 11.146 3.995 1.00 0.27 C ATOM 549 O GLY A 64 13.916 11.043 3.098 1.00 0.33 O ATOM 0 H GLY A 64 11.584 12.565 6.312 1.00 0.28 H new ATOM 0 HA2 GLY A 64 12.961 13.173 4.647 1.00 0.30 H new ATOM 0 HA3 GLY A 64 14.249 12.248 5.394 1.00 0.30 H new ATOM 553 N ILE A 65 12.008 10.366 4.086 1.00 0.22 N ATOM 554 CA ILE A 65 11.785 9.308 3.141 1.00 0.20 C ATOM 555 C ILE A 65 11.227 9.896 1.850 1.00 0.21 C ATOM 556 O ILE A 65 10.277 10.681 1.882 1.00 0.23 O ATOM 557 CB ILE A 65 10.820 8.213 3.663 1.00 0.18 C ATOM 558 CG1 ILE A 65 11.388 7.547 4.920 1.00 0.20 C ATOM 559 CG2 ILE A 65 10.564 7.165 2.578 1.00 0.19 C ATOM 560 CD1 ILE A 65 10.605 6.327 5.367 1.00 0.20 C ATOM 0 H ILE A 65 11.291 10.454 4.806 1.00 0.22 H new ATOM 0 HA ILE A 65 12.748 8.827 2.970 1.00 0.20 H new ATOM 0 HB ILE A 65 9.873 8.687 3.921 1.00 0.18 H new ATOM 0 HG12 ILE A 65 12.421 7.256 4.732 1.00 0.20 H new ATOM 0 HG13 ILE A 65 11.405 8.275 5.731 1.00 0.20 H new ATOM 0 HG21 ILE A 65 9.885 6.403 2.961 1.00 0.19 H new ATOM 0 HG22 ILE A 65 10.118 7.645 1.707 1.00 0.19 H new ATOM 0 HG23 ILE A 65 11.507 6.699 2.292 1.00 0.19 H new ATOM 0 HD11 ILE A 65 11.064 5.908 6.262 1.00 0.20 H new ATOM 0 HD12 ILE A 65 9.577 6.615 5.588 1.00 0.20 H new ATOM 0 HD13 ILE A 65 10.610 5.580 4.573 1.00 0.20 H new ATOM 572 N PRO A 66 11.846 9.567 0.711 1.00 0.24 N ATOM 573 CA PRO A 66 11.331 9.945 -0.605 1.00 0.27 C ATOM 574 C PRO A 66 9.859 9.575 -0.737 1.00 0.22 C ATOM 575 O PRO A 66 9.463 8.486 -0.353 1.00 0.23 O ATOM 576 CB PRO A 66 12.162 9.096 -1.559 1.00 0.35 C ATOM 577 CG PRO A 66 13.428 8.792 -0.835 1.00 0.26 C ATOM 578 CD PRO A 66 13.107 8.813 0.630 1.00 0.31 C ATOM 0 HA PRO A 66 11.401 11.016 -0.794 1.00 0.27 H new ATOM 0 HB2 PRO A 66 11.635 8.180 -1.827 1.00 0.35 H new ATOM 0 HB3 PRO A 66 12.361 9.632 -2.487 1.00 0.35 H new ATOM 0 HG2 PRO A 66 13.818 7.818 -1.131 1.00 0.26 H new ATOM 0 HG3 PRO A 66 14.195 9.529 -1.073 1.00 0.26 H new ATOM 0 HD2 PRO A 66 12.994 7.804 1.028 1.00 0.31 H new ATOM 0 HD3 PRO A 66 13.898 9.296 1.204 1.00 0.31 H new ATOM 586 N LYS A 67 9.052 10.496 -1.246 1.00 0.25 N ATOM 587 CA LYS A 67 7.613 10.275 -1.384 1.00 0.27 C ATOM 588 C LYS A 67 7.278 9.098 -2.310 1.00 0.25 C ATOM 589 O LYS A 67 6.407 8.287 -2.004 1.00 0.36 O ATOM 590 CB LYS A 67 6.947 11.539 -1.921 1.00 0.43 C ATOM 591 CG LYS A 67 5.447 11.396 -2.098 1.00 1.04 C ATOM 592 CD LYS A 67 4.855 12.557 -2.882 1.00 1.15 C ATOM 593 CE LYS A 67 5.396 12.612 -4.307 1.00 1.67 C ATOM 594 NZ LYS A 67 5.303 11.291 -4.989 1.00 2.42 N ATOM 0 H LYS A 67 9.369 11.409 -1.573 1.00 0.25 H new ATOM 0 HA LYS A 67 7.233 10.030 -0.392 1.00 0.27 H new ATOM 0 HB2 LYS A 67 7.149 12.366 -1.240 1.00 0.43 H new ATOM 0 HB3 LYS A 67 7.396 11.799 -2.879 1.00 0.43 H new ATOM 0 HG2 LYS A 67 5.230 10.461 -2.615 1.00 1.04 H new ATOM 0 HG3 LYS A 67 4.970 11.338 -1.120 1.00 1.04 H new ATOM 0 HD2 LYS A 67 3.769 12.462 -2.909 1.00 1.15 H new ATOM 0 HD3 LYS A 67 5.080 13.493 -2.371 1.00 1.15 H new ATOM 0 HE2 LYS A 67 4.839 13.355 -4.878 1.00 1.67 H new ATOM 0 HE3 LYS A 67 6.436 12.938 -4.288 1.00 1.67 H new ATOM 0 HZ1 LYS A 67 5.470 11.414 -6.008 1.00 2.42 H new ATOM 0 HZ2 LYS A 67 6.019 10.646 -4.596 1.00 2.42 H new ATOM 0 HZ3 LYS A 67 4.356 10.889 -4.839 1.00 2.42 H new ATOM 608 N ASP A 68 7.937 9.043 -3.455 1.00 0.28 N ATOM 609 CA ASP A 68 7.685 7.989 -4.434 1.00 0.28 C ATOM 610 C ASP A 68 8.335 6.691 -4.013 1.00 0.21 C ATOM 611 O ASP A 68 9.109 6.662 -3.072 1.00 0.23 O ATOM 612 CB ASP A 68 8.191 8.414 -5.814 1.00 0.39 C ATOM 613 CG ASP A 68 7.448 9.618 -6.333 1.00 1.12 C ATOM 614 OD1 ASP A 68 6.333 9.448 -6.861 1.00 1.88 O ATOM 615 OD2 ASP A 68 7.958 10.744 -6.177 1.00 1.65 O ATOM 0 H ASP A 68 8.652 9.715 -3.733 1.00 0.28 H new ATOM 0 HA ASP A 68 6.609 7.827 -4.488 1.00 0.28 H new ATOM 0 HB2 ASP A 68 9.256 8.640 -5.758 1.00 0.39 H new ATOM 0 HB3 ASP A 68 8.077 7.586 -6.514 1.00 0.39 H new ATOM 620 N PRO A 69 7.983 5.587 -4.675 1.00 0.19 N ATOM 621 CA PRO A 69 8.613 4.299 -4.432 1.00 0.20 C ATOM 622 C PRO A 69 9.900 4.103 -5.219 1.00 0.26 C ATOM 623 O PRO A 69 10.828 3.499 -4.722 1.00 0.65 O ATOM 624 CB PRO A 69 7.557 3.319 -4.918 1.00 0.40 C ATOM 625 CG PRO A 69 6.868 4.029 -6.031 1.00 0.37 C ATOM 626 CD PRO A 69 6.886 5.489 -5.664 1.00 0.22 C ATOM 0 HA PRO A 69 8.906 4.182 -3.389 1.00 0.20 H new ATOM 0 HB2 PRO A 69 8.008 2.388 -5.261 1.00 0.40 H new ATOM 0 HB3 PRO A 69 6.860 3.060 -4.121 1.00 0.40 H new ATOM 0 HG2 PRO A 69 7.379 3.858 -6.979 1.00 0.37 H new ATOM 0 HG3 PRO A 69 5.846 3.669 -6.150 1.00 0.37 H new ATOM 0 HD2 PRO A 69 7.073 6.119 -6.534 1.00 0.22 H new ATOM 0 HD3 PRO A 69 5.934 5.807 -5.239 1.00 0.22 H new ATOM 634 N ARG A 70 9.964 4.691 -6.409 1.00 0.20 N ATOM 635 CA ARG A 70 10.957 4.324 -7.436 1.00 0.26 C ATOM 636 C ARG A 70 12.407 4.641 -7.045 1.00 0.19 C ATOM 637 O ARG A 70 13.314 4.495 -7.864 1.00 0.27 O ATOM 638 CB ARG A 70 10.643 5.040 -8.758 1.00 0.46 C ATOM 639 CG ARG A 70 9.191 4.945 -9.211 1.00 0.96 C ATOM 640 CD ARG A 70 8.413 6.213 -8.878 1.00 0.87 C ATOM 641 NE ARG A 70 9.057 7.405 -9.438 1.00 1.06 N ATOM 642 CZ ARG A 70 8.412 8.513 -9.813 1.00 1.29 C ATOM 643 NH1 ARG A 70 7.087 8.585 -9.746 1.00 1.89 N ATOM 644 NH2 ARG A 70 9.105 9.547 -10.273 1.00 1.79 N ATOM 0 H ARG A 70 9.332 5.438 -6.698 1.00 0.20 H new ATOM 0 HA ARG A 70 10.878 3.242 -7.542 1.00 0.26 H new ATOM 0 HB2 ARG A 70 10.908 6.092 -8.656 1.00 0.46 H new ATOM 0 HB3 ARG A 70 11.280 4.625 -9.539 1.00 0.46 H new ATOM 0 HG2 ARG A 70 9.156 4.768 -10.286 1.00 0.96 H new ATOM 0 HG3 ARG A 70 8.715 4.090 -8.731 1.00 0.96 H new ATOM 0 HD2 ARG A 70 7.398 6.130 -9.267 1.00 0.87 H new ATOM 0 HD3 ARG A 70 8.332 6.317 -7.796 1.00 0.87 H new ATOM 0 HE ARG A 70 10.071 7.387 -9.549 1.00 1.06 H new ATOM 0 HH11 ARG A 70 6.550 7.788 -9.405 1.00 1.89 H new ATOM 0 HH12 ARG A 70 6.607 9.437 -10.036 1.00 1.89 H new ATOM 0 HH21 ARG A 70 10.121 9.491 -10.338 1.00 1.79 H new ATOM 0 HH22 ARG A 70 8.621 10.397 -10.562 1.00 1.79 H new ATOM 658 N GLN A 71 12.626 5.063 -5.815 1.00 0.16 N ATOM 659 CA GLN A 71 13.958 5.446 -5.370 1.00 0.16 C ATOM 660 C GLN A 71 14.181 5.091 -3.899 1.00 0.15 C ATOM 661 O GLN A 71 15.087 5.614 -3.248 1.00 0.18 O ATOM 662 CB GLN A 71 14.170 6.953 -5.583 1.00 0.20 C ATOM 663 CG GLN A 71 13.455 7.823 -4.559 1.00 0.38 C ATOM 664 CD GLN A 71 11.959 7.589 -4.521 1.00 0.26 C ATOM 665 OE1 GLN A 71 11.535 6.569 -3.778 1.00 0.89 O flip ATOM 666 NE2 GLN A 71 11.192 8.289 -5.181 1.00 0.29 N flip ATOM 0 H GLN A 71 11.901 5.150 -5.103 1.00 0.16 H new ATOM 0 HA GLN A 71 14.683 4.889 -5.964 1.00 0.16 H new ATOM 0 HB2 GLN A 71 15.238 7.169 -5.548 1.00 0.20 H new ATOM 0 HB3 GLN A 71 13.823 7.222 -6.581 1.00 0.20 H new ATOM 0 HG2 GLN A 71 13.872 7.628 -3.571 1.00 0.38 H new ATOM 0 HG3 GLN A 71 13.647 8.872 -4.785 1.00 0.38 H new ATOM 0 HE21 GLN A 71 11.558 9.062 -5.737 1.00 0.29 H new ATOM 0 HE22 GLN A 71 10.190 8.097 -5.172 1.00 0.29 H new ATOM 675 N TRP A 72 13.354 4.204 -3.370 1.00 0.12 N ATOM 676 CA TRP A 72 13.444 3.815 -1.976 1.00 0.11 C ATOM 677 C TRP A 72 14.553 2.802 -1.750 1.00 0.12 C ATOM 678 O TRP A 72 15.076 2.216 -2.687 1.00 0.14 O ATOM 679 CB TRP A 72 12.113 3.185 -1.553 1.00 0.11 C ATOM 680 CG TRP A 72 11.095 4.165 -1.092 1.00 0.09 C ATOM 681 CD1 TRP A 72 11.283 5.480 -0.821 1.00 0.10 C ATOM 682 CD2 TRP A 72 9.721 3.888 -0.833 1.00 0.08 C ATOM 683 NE1 TRP A 72 10.100 6.041 -0.426 1.00 0.10 N ATOM 684 CE2 TRP A 72 9.125 5.084 -0.424 1.00 0.08 C ATOM 685 CE3 TRP A 72 8.938 2.744 -0.916 1.00 0.09 C ATOM 686 CZ2 TRP A 72 7.775 5.168 -0.098 1.00 0.09 C ATOM 687 CZ3 TRP A 72 7.602 2.825 -0.593 1.00 0.10 C ATOM 688 CH2 TRP A 72 7.033 4.029 -0.190 1.00 0.10 C ATOM 0 H TRP A 72 12.610 3.739 -3.890 1.00 0.12 H new ATOM 0 HA TRP A 72 13.665 4.705 -1.386 1.00 0.11 H new ATOM 0 HB2 TRP A 72 11.706 2.624 -2.394 1.00 0.11 H new ATOM 0 HB3 TRP A 72 12.301 2.469 -0.753 1.00 0.11 H new ATOM 0 HD1 TRP A 72 12.223 6.004 -0.904 1.00 0.10 H new ATOM 0 HE1 TRP A 72 9.967 7.020 -0.173 1.00 0.10 H new ATOM 0 HE3 TRP A 72 9.370 1.805 -1.229 1.00 0.09 H new ATOM 0 HZ2 TRP A 72 7.332 6.101 0.216 1.00 0.09 H new ATOM 0 HZ3 TRP A 72 6.986 1.940 -0.653 1.00 0.10 H new ATOM 0 HH2 TRP A 72 5.982 4.061 0.055 1.00 0.10 H new ATOM 699 N THR A 73 14.954 2.660 -0.504 1.00 0.14 N ATOM 700 CA THR A 73 15.808 1.569 -0.097 1.00 0.15 C ATOM 701 C THR A 73 14.938 0.414 0.371 1.00 0.15 C ATOM 702 O THR A 73 13.715 0.567 0.452 1.00 0.16 O ATOM 703 CB THR A 73 16.734 2.004 1.054 1.00 0.18 C ATOM 704 OG1 THR A 73 15.940 2.554 2.117 1.00 0.19 O ATOM 705 CG2 THR A 73 17.746 3.040 0.583 1.00 0.21 C ATOM 0 H THR A 73 14.697 3.296 0.251 1.00 0.14 H new ATOM 0 HA THR A 73 16.424 1.265 -0.943 1.00 0.15 H new ATOM 0 HB THR A 73 17.282 1.131 1.408 1.00 0.18 H new ATOM 0 HG1 THR A 73 15.694 3.477 1.898 1.00 0.19 H new ATOM 0 HG21 THR A 73 18.386 3.328 1.417 1.00 0.21 H new ATOM 0 HG22 THR A 73 18.357 2.616 -0.214 1.00 0.21 H new ATOM 0 HG23 THR A 73 17.220 3.918 0.209 1.00 0.21 H new ATOM 713 N GLU A 74 15.539 -0.717 0.702 1.00 0.17 N ATOM 714 CA GLU A 74 14.772 -1.854 1.190 1.00 0.20 C ATOM 715 C GLU A 74 14.021 -1.480 2.467 1.00 0.19 C ATOM 716 O GLU A 74 12.914 -1.958 2.717 1.00 0.28 O ATOM 717 CB GLU A 74 15.678 -3.057 1.446 1.00 0.29 C ATOM 718 CG GLU A 74 16.756 -2.796 2.479 1.00 1.25 C ATOM 719 CD GLU A 74 17.532 -4.040 2.829 1.00 1.79 C ATOM 720 OE1 GLU A 74 18.554 -4.309 2.171 1.00 2.67 O ATOM 721 OE2 GLU A 74 17.126 -4.743 3.774 1.00 1.99 O ATOM 0 H GLU A 74 16.545 -0.873 0.643 1.00 0.17 H new ATOM 0 HA GLU A 74 14.049 -2.128 0.422 1.00 0.20 H new ATOM 0 HB2 GLU A 74 15.067 -3.898 1.775 1.00 0.29 H new ATOM 0 HB3 GLU A 74 16.149 -3.353 0.508 1.00 0.29 H new ATOM 0 HG2 GLU A 74 17.442 -2.038 2.100 1.00 1.25 H new ATOM 0 HG3 GLU A 74 16.299 -2.390 3.382 1.00 1.25 H new ATOM 728 N THR A 75 14.619 -0.595 3.258 1.00 0.18 N ATOM 729 CA THR A 75 14.036 -0.186 4.521 1.00 0.21 C ATOM 730 C THR A 75 12.888 0.794 4.303 1.00 0.17 C ATOM 731 O THR A 75 11.891 0.750 5.011 1.00 0.20 O ATOM 732 CB THR A 75 15.090 0.457 5.438 1.00 0.29 C ATOM 733 OG1 THR A 75 16.308 -0.302 5.389 1.00 0.47 O ATOM 734 CG2 THR A 75 14.587 0.514 6.875 1.00 0.47 C ATOM 0 H THR A 75 15.510 -0.149 3.041 1.00 0.18 H new ATOM 0 HA THR A 75 13.650 -1.084 5.003 1.00 0.21 H new ATOM 0 HB THR A 75 15.277 1.472 5.089 1.00 0.29 H new ATOM 0 HG1 THR A 75 16.976 0.113 5.974 1.00 0.47 H new ATOM 0 HG21 THR A 75 15.347 0.972 7.508 1.00 0.47 H new ATOM 0 HG22 THR A 75 13.673 1.107 6.917 1.00 0.47 H new ATOM 0 HG23 THR A 75 14.381 -0.496 7.229 1.00 0.47 H new ATOM 742 N HIS A 76 13.008 1.653 3.290 1.00 0.14 N ATOM 743 CA HIS A 76 11.978 2.657 3.032 1.00 0.12 C ATOM 744 C HIS A 76 10.735 1.979 2.480 1.00 0.10 C ATOM 745 O HIS A 76 9.604 2.310 2.851 1.00 0.10 O ATOM 746 CB HIS A 76 12.473 3.732 2.056 1.00 0.14 C ATOM 747 CG HIS A 76 13.485 4.671 2.639 1.00 0.15 C ATOM 748 ND1 HIS A 76 14.512 5.234 1.903 1.00 0.20 N ATOM 749 CD2 HIS A 76 13.615 5.163 3.892 1.00 0.16 C ATOM 750 CE1 HIS A 76 15.225 6.023 2.682 1.00 0.22 C ATOM 751 NE2 HIS A 76 14.703 5.999 3.888 1.00 0.19 N ATOM 0 H HIS A 76 13.797 1.674 2.644 1.00 0.14 H new ATOM 0 HA HIS A 76 11.738 3.152 3.973 1.00 0.12 H new ATOM 0 HB2 HIS A 76 12.907 3.243 1.184 1.00 0.14 H new ATOM 0 HB3 HIS A 76 11.618 4.309 1.705 1.00 0.14 H new ATOM 0 HD2 HIS A 76 12.981 4.940 4.737 1.00 0.16 H new ATOM 0 HE1 HIS A 76 16.091 6.593 2.380 1.00 0.22 H new ATOM 0 HE2 HIS A 76 15.051 6.519 4.693 1.00 0.19 H new ATOM 760 N VAL A 77 10.964 1.010 1.610 1.00 0.09 N ATOM 761 CA VAL A 77 9.902 0.215 1.056 1.00 0.07 C ATOM 762 C VAL A 77 9.218 -0.570 2.166 1.00 0.08 C ATOM 763 O VAL A 77 8.012 -0.481 2.332 1.00 0.08 O ATOM 764 CB VAL A 77 10.437 -0.747 -0.028 1.00 0.08 C ATOM 765 CG1 VAL A 77 9.378 -1.767 -0.416 1.00 0.09 C ATOM 766 CG2 VAL A 77 10.906 0.034 -1.255 1.00 0.08 C ATOM 0 H VAL A 77 11.894 0.759 1.273 1.00 0.09 H new ATOM 0 HA VAL A 77 9.179 0.881 0.586 1.00 0.07 H new ATOM 0 HB VAL A 77 11.291 -1.284 0.385 1.00 0.08 H new ATOM 0 HG11 VAL A 77 9.777 -2.433 -1.180 1.00 0.09 H new ATOM 0 HG12 VAL A 77 9.095 -2.349 0.461 1.00 0.09 H new ATOM 0 HG13 VAL A 77 8.501 -1.251 -0.807 1.00 0.09 H new ATOM 0 HG21 VAL A 77 11.279 -0.661 -2.008 1.00 0.08 H new ATOM 0 HG22 VAL A 77 10.071 0.601 -1.667 1.00 0.08 H new ATOM 0 HG23 VAL A 77 11.703 0.720 -0.967 1.00 0.08 H new ATOM 776 N ARG A 78 10.006 -1.301 2.955 1.00 0.09 N ATOM 777 CA ARG A 78 9.460 -2.118 4.038 1.00 0.11 C ATOM 778 C ARG A 78 8.752 -1.276 5.097 1.00 0.10 C ATOM 779 O ARG A 78 7.792 -1.737 5.712 1.00 0.14 O ATOM 780 CB ARG A 78 10.548 -2.965 4.688 1.00 0.18 C ATOM 781 CG ARG A 78 10.886 -4.220 3.896 1.00 0.37 C ATOM 782 CD ARG A 78 11.594 -5.254 4.758 1.00 0.40 C ATOM 783 NE ARG A 78 13.046 -5.242 4.590 1.00 1.11 N ATOM 784 CZ ARG A 78 13.871 -6.066 5.248 1.00 1.43 C ATOM 785 NH1 ARG A 78 13.405 -6.838 6.223 1.00 1.57 N ATOM 786 NH2 ARG A 78 15.166 -6.087 4.969 1.00 2.21 N ATOM 0 H ARG A 78 11.021 -1.344 2.865 1.00 0.09 H new ATOM 0 HA ARG A 78 8.719 -2.777 3.587 1.00 0.11 H new ATOM 0 HB2 ARG A 78 11.449 -2.362 4.802 1.00 0.18 H new ATOM 0 HB3 ARG A 78 10.227 -3.251 5.690 1.00 0.18 H new ATOM 0 HG2 ARG A 78 9.971 -4.651 3.488 1.00 0.37 H new ATOM 0 HG3 ARG A 78 11.520 -3.957 3.049 1.00 0.37 H new ATOM 0 HD2 ARG A 78 11.354 -5.071 5.805 1.00 0.40 H new ATOM 0 HD3 ARG A 78 11.214 -6.245 4.512 1.00 0.40 H new ATOM 0 HE ARG A 78 13.452 -4.571 3.938 1.00 1.11 H new ATOM 0 HH11 ARG A 78 12.416 -6.804 6.472 1.00 1.57 H new ATOM 0 HH12 ARG A 78 14.036 -7.465 6.723 1.00 1.57 H new ATOM 0 HH21 ARG A 78 15.542 -5.472 4.248 1.00 2.21 H new ATOM 0 HH22 ARG A 78 15.787 -6.718 5.476 1.00 2.21 H new ATOM 800 N ASP A 79 9.223 -0.051 5.298 1.00 0.11 N ATOM 801 CA ASP A 79 8.575 0.890 6.213 1.00 0.12 C ATOM 802 C ASP A 79 7.135 1.110 5.787 1.00 0.11 C ATOM 803 O ASP A 79 6.188 0.915 6.559 1.00 0.12 O ATOM 804 CB ASP A 79 9.313 2.231 6.196 1.00 0.16 C ATOM 805 CG ASP A 79 10.039 2.526 7.494 1.00 0.57 C ATOM 806 OD1 ASP A 79 9.380 2.587 8.553 1.00 1.05 O ATOM 807 OD2 ASP A 79 11.276 2.703 7.467 1.00 0.95 O ATOM 0 H ASP A 79 10.055 0.318 4.839 1.00 0.11 H new ATOM 0 HA ASP A 79 8.601 0.475 7.220 1.00 0.12 H new ATOM 0 HB2 ASP A 79 10.031 2.233 5.376 1.00 0.16 H new ATOM 0 HB3 ASP A 79 8.599 3.030 5.996 1.00 0.16 H new ATOM 812 N TRP A 80 6.979 1.445 4.522 1.00 0.10 N ATOM 813 CA TRP A 80 5.681 1.728 3.952 1.00 0.09 C ATOM 814 C TRP A 80 4.901 0.429 3.784 1.00 0.09 C ATOM 815 O TRP A 80 3.668 0.401 3.879 1.00 0.09 O ATOM 816 CB TRP A 80 5.909 2.424 2.614 1.00 0.09 C ATOM 817 CG TRP A 80 4.831 2.231 1.610 1.00 0.09 C ATOM 818 CD1 TRP A 80 3.735 3.007 1.413 1.00 0.10 C ATOM 819 CD2 TRP A 80 4.778 1.194 0.636 1.00 0.09 C ATOM 820 NE1 TRP A 80 3.002 2.512 0.365 1.00 0.10 N ATOM 821 CE2 TRP A 80 3.628 1.398 -0.128 1.00 0.09 C ATOM 822 CE3 TRP A 80 5.600 0.110 0.341 1.00 0.10 C ATOM 823 CZ2 TRP A 80 3.278 0.563 -1.177 1.00 0.09 C ATOM 824 CZ3 TRP A 80 5.253 -0.723 -0.697 1.00 0.11 C ATOM 825 CH2 TRP A 80 4.100 -0.490 -1.449 1.00 0.10 C ATOM 0 H TRP A 80 7.751 1.528 3.861 1.00 0.10 H new ATOM 0 HA TRP A 80 5.094 2.376 4.602 1.00 0.09 H new ATOM 0 HB2 TRP A 80 6.029 3.492 2.794 1.00 0.09 H new ATOM 0 HB3 TRP A 80 6.847 2.065 2.191 1.00 0.09 H new ATOM 0 HD1 TRP A 80 3.479 3.881 1.993 1.00 0.10 H new ATOM 0 HE1 TRP A 80 2.132 2.909 0.010 1.00 0.10 H new ATOM 0 HE3 TRP A 80 6.495 -0.074 0.917 1.00 0.10 H new ATOM 0 HZ2 TRP A 80 2.385 0.740 -1.759 1.00 0.09 H new ATOM 0 HZ3 TRP A 80 5.881 -1.569 -0.934 1.00 0.11 H new ATOM 0 HH2 TRP A 80 3.854 -1.157 -2.262 1.00 0.10 H new ATOM 836 N VAL A 81 5.656 -0.642 3.572 1.00 0.10 N ATOM 837 CA VAL A 81 5.113 -1.972 3.387 1.00 0.11 C ATOM 838 C VAL A 81 4.354 -2.395 4.636 1.00 0.11 C ATOM 839 O VAL A 81 3.162 -2.692 4.589 1.00 0.11 O ATOM 840 CB VAL A 81 6.263 -2.968 3.061 1.00 0.13 C ATOM 841 CG1 VAL A 81 5.995 -4.373 3.571 1.00 0.14 C ATOM 842 CG2 VAL A 81 6.523 -3.004 1.565 1.00 0.14 C ATOM 0 H VAL A 81 6.674 -0.605 3.524 1.00 0.10 H new ATOM 0 HA VAL A 81 4.416 -1.972 2.549 1.00 0.11 H new ATOM 0 HB VAL A 81 7.147 -2.601 3.583 1.00 0.13 H new ATOM 0 HG11 VAL A 81 6.833 -5.020 3.312 1.00 0.14 H new ATOM 0 HG12 VAL A 81 5.875 -4.350 4.654 1.00 0.14 H new ATOM 0 HG13 VAL A 81 5.084 -4.759 3.113 1.00 0.14 H new ATOM 0 HG21 VAL A 81 7.330 -3.705 1.353 1.00 0.14 H new ATOM 0 HG22 VAL A 81 5.619 -3.323 1.046 1.00 0.14 H new ATOM 0 HG23 VAL A 81 6.807 -2.009 1.221 1.00 0.14 H new ATOM 852 N MET A 82 5.041 -2.389 5.758 1.00 0.11 N ATOM 853 CA MET A 82 4.423 -2.759 7.009 1.00 0.12 C ATOM 854 C MET A 82 3.455 -1.692 7.514 1.00 0.11 C ATOM 855 O MET A 82 2.662 -1.971 8.401 1.00 0.12 O ATOM 856 CB MET A 82 5.462 -3.102 8.070 1.00 0.15 C ATOM 857 CG MET A 82 6.343 -1.938 8.484 1.00 0.13 C ATOM 858 SD MET A 82 7.590 -2.429 9.690 1.00 0.49 S ATOM 859 CE MET A 82 6.579 -3.311 10.878 1.00 0.42 C ATOM 0 H MET A 82 6.026 -2.132 5.828 1.00 0.11 H new ATOM 0 HA MET A 82 3.838 -3.657 6.812 1.00 0.12 H new ATOM 0 HB2 MET A 82 4.950 -3.486 8.952 1.00 0.15 H new ATOM 0 HB3 MET A 82 6.095 -3.906 7.694 1.00 0.15 H new ATOM 0 HG2 MET A 82 6.834 -1.524 7.603 1.00 0.13 H new ATOM 0 HG3 MET A 82 5.723 -1.146 8.905 1.00 0.13 H new ATOM 0 HE1 MET A 82 7.119 -3.399 11.821 1.00 0.42 H new ATOM 0 HE2 MET A 82 5.650 -2.765 11.041 1.00 0.42 H new ATOM 0 HE3 MET A 82 6.353 -4.306 10.495 1.00 0.42 H new ATOM 869 N TRP A 83 3.508 -0.471 6.978 1.00 0.09 N ATOM 870 CA TRP A 83 2.597 0.569 7.447 1.00 0.09 C ATOM 871 C TRP A 83 1.152 0.279 7.036 1.00 0.09 C ATOM 872 O TRP A 83 0.281 0.138 7.890 1.00 0.11 O ATOM 873 CB TRP A 83 3.014 1.959 6.948 1.00 0.09 C ATOM 874 CG TRP A 83 2.054 3.024 7.366 1.00 0.10 C ATOM 875 CD1 TRP A 83 2.062 3.724 8.535 1.00 0.12 C ATOM 876 CD2 TRP A 83 0.932 3.501 6.619 1.00 0.11 C ATOM 877 NE1 TRP A 83 1.015 4.610 8.556 1.00 0.14 N ATOM 878 CE2 TRP A 83 0.307 4.490 7.393 1.00 0.13 C ATOM 879 CE3 TRP A 83 0.397 3.187 5.368 1.00 0.12 C ATOM 880 CZ2 TRP A 83 -0.824 5.166 6.957 1.00 0.15 C ATOM 881 CZ3 TRP A 83 -0.724 3.858 4.937 1.00 0.14 C ATOM 882 CH2 TRP A 83 -1.322 4.838 5.728 1.00 0.15 C ATOM 0 H TRP A 83 4.152 -0.185 6.241 1.00 0.09 H new ATOM 0 HA TRP A 83 2.655 0.564 8.535 1.00 0.09 H new ATOM 0 HB2 TRP A 83 4.006 2.197 7.331 1.00 0.09 H new ATOM 0 HB3 TRP A 83 3.087 1.945 5.861 1.00 0.09 H new ATOM 0 HD1 TRP A 83 2.785 3.600 9.327 1.00 0.12 H new ATOM 0 HE1 TRP A 83 0.800 5.254 9.317 1.00 0.14 H new ATOM 0 HE3 TRP A 83 0.856 2.430 4.749 1.00 0.12 H new ATOM 0 HZ2 TRP A 83 -1.293 5.924 7.567 1.00 0.15 H new ATOM 0 HZ3 TRP A 83 -1.147 3.622 3.972 1.00 0.14 H new ATOM 0 HH2 TRP A 83 -2.199 5.350 5.361 1.00 0.15 H new ATOM 893 N ALA A 84 0.880 0.179 5.740 1.00 0.09 N ATOM 894 CA ALA A 84 -0.489 -0.094 5.302 1.00 0.10 C ATOM 895 C ALA A 84 -0.929 -1.420 5.893 1.00 0.10 C ATOM 896 O ALA A 84 -2.081 -1.609 6.286 1.00 0.12 O ATOM 897 CB ALA A 84 -0.594 -0.110 3.784 1.00 0.12 C ATOM 0 H ALA A 84 1.565 0.279 4.991 1.00 0.09 H new ATOM 0 HA ALA A 84 -1.146 0.701 5.654 1.00 0.10 H new ATOM 0 HB1 ALA A 84 -1.624 -0.316 3.493 1.00 0.12 H new ATOM 0 HB2 ALA A 84 -0.292 0.859 3.388 1.00 0.12 H new ATOM 0 HB3 ALA A 84 0.058 -0.885 3.382 1.00 0.12 H new ATOM 903 N VAL A 85 0.038 -2.315 5.980 1.00 0.10 N ATOM 904 CA VAL A 85 -0.117 -3.581 6.652 1.00 0.11 C ATOM 905 C VAL A 85 -0.533 -3.410 8.119 1.00 0.13 C ATOM 906 O VAL A 85 -1.565 -3.928 8.522 1.00 0.14 O ATOM 907 CB VAL A 85 1.206 -4.381 6.531 1.00 0.12 C ATOM 908 CG1 VAL A 85 1.414 -5.342 7.685 1.00 0.15 C ATOM 909 CG2 VAL A 85 1.244 -5.127 5.211 1.00 0.14 C ATOM 0 H VAL A 85 0.965 -2.175 5.578 1.00 0.10 H new ATOM 0 HA VAL A 85 -0.923 -4.135 6.171 1.00 0.11 H new ATOM 0 HB VAL A 85 2.023 -3.660 6.568 1.00 0.12 H new ATOM 0 HG11 VAL A 85 2.355 -5.875 7.549 1.00 0.15 H new ATOM 0 HG12 VAL A 85 1.445 -4.785 8.621 1.00 0.15 H new ATOM 0 HG13 VAL A 85 0.592 -6.058 7.715 1.00 0.15 H new ATOM 0 HG21 VAL A 85 2.177 -5.686 5.136 1.00 0.14 H new ATOM 0 HG22 VAL A 85 0.402 -5.818 5.159 1.00 0.14 H new ATOM 0 HG23 VAL A 85 1.180 -4.415 4.388 1.00 0.14 H new ATOM 919 N ASN A 86 0.235 -2.670 8.912 1.00 0.15 N ATOM 920 CA ASN A 86 -0.025 -2.596 10.351 1.00 0.19 C ATOM 921 C ASN A 86 -1.334 -1.871 10.653 1.00 0.23 C ATOM 922 O ASN A 86 -1.931 -2.055 11.711 1.00 0.27 O ATOM 923 CB ASN A 86 1.165 -1.988 11.109 1.00 0.23 C ATOM 924 CG ASN A 86 1.120 -0.478 11.334 1.00 0.34 C ATOM 925 OD1 ASN A 86 0.539 0.262 10.415 1.00 0.61 O flip ATOM 926 ND2 ASN A 86 1.629 0.018 12.339 1.00 0.32 N flip ATOM 0 H ASN A 86 1.032 -2.119 8.592 1.00 0.15 H new ATOM 0 HA ASN A 86 -0.143 -3.617 10.714 1.00 0.19 H new ATOM 0 HB2 ASN A 86 1.239 -2.477 12.080 1.00 0.23 H new ATOM 0 HB3 ASN A 86 2.077 -2.226 10.562 1.00 0.23 H new ATOM 0 HD21 ASN A 86 2.073 -0.582 13.035 1.00 0.32 H new ATOM 0 HD22 ASN A 86 1.607 1.029 12.476 1.00 0.32 H new ATOM 933 N GLU A 87 -1.783 -1.072 9.700 1.00 0.24 N ATOM 934 CA GLU A 87 -3.010 -0.303 9.860 1.00 0.31 C ATOM 935 C GLU A 87 -4.183 -1.247 9.687 1.00 0.28 C ATOM 936 O GLU A 87 -5.184 -1.183 10.396 1.00 0.35 O ATOM 937 CB GLU A 87 -3.068 0.828 8.824 1.00 0.38 C ATOM 938 CG GLU A 87 -4.345 1.657 8.869 1.00 1.23 C ATOM 939 CD GLU A 87 -4.517 2.423 10.167 1.00 1.35 C ATOM 940 OE1 GLU A 87 -3.827 3.445 10.353 1.00 1.08 O ATOM 941 OE2 GLU A 87 -5.355 2.015 10.998 1.00 2.15 O ATOM 0 H GLU A 87 -1.316 -0.937 8.803 1.00 0.24 H new ATOM 0 HA GLU A 87 -3.044 0.153 10.850 1.00 0.31 H new ATOM 0 HB2 GLU A 87 -2.215 1.489 8.977 1.00 0.38 H new ATOM 0 HB3 GLU A 87 -2.963 0.398 7.828 1.00 0.38 H new ATOM 0 HG2 GLU A 87 -4.342 2.361 8.037 1.00 1.23 H new ATOM 0 HG3 GLU A 87 -5.202 0.999 8.727 1.00 1.23 H new ATOM 948 N PHE A 88 -4.013 -2.148 8.741 1.00 0.23 N ATOM 949 CA PHE A 88 -4.992 -3.174 8.451 1.00 0.23 C ATOM 950 C PHE A 88 -4.804 -4.400 9.335 1.00 0.25 C ATOM 951 O PHE A 88 -5.523 -5.390 9.200 1.00 0.30 O ATOM 952 CB PHE A 88 -4.848 -3.572 7.001 1.00 0.24 C ATOM 953 CG PHE A 88 -5.703 -2.759 6.084 1.00 0.28 C ATOM 954 CD1 PHE A 88 -7.020 -3.121 5.849 1.00 0.41 C ATOM 955 CD2 PHE A 88 -5.200 -1.633 5.468 1.00 0.42 C ATOM 956 CE1 PHE A 88 -7.817 -2.369 5.013 1.00 0.47 C ATOM 957 CE2 PHE A 88 -5.991 -0.881 4.632 1.00 0.50 C ATOM 958 CZ PHE A 88 -7.300 -1.248 4.404 1.00 0.45 C ATOM 0 H PHE A 88 -3.185 -2.189 8.147 1.00 0.23 H new ATOM 0 HA PHE A 88 -5.986 -2.775 8.650 1.00 0.23 H new ATOM 0 HB2 PHE A 88 -3.805 -3.468 6.703 1.00 0.24 H new ATOM 0 HB3 PHE A 88 -5.107 -4.625 6.892 1.00 0.24 H new ATOM 0 HD1 PHE A 88 -7.426 -4.001 6.326 1.00 0.41 H new ATOM 0 HD2 PHE A 88 -4.176 -1.339 5.644 1.00 0.42 H new ATOM 0 HE1 PHE A 88 -8.843 -2.658 4.837 1.00 0.47 H new ATOM 0 HE2 PHE A 88 -5.586 -0.002 4.153 1.00 0.50 H new ATOM 0 HZ PHE A 88 -7.920 -0.656 3.747 1.00 0.45 H new ATOM 968 N SER A 89 -3.825 -4.319 10.233 1.00 0.27 N ATOM 969 CA SER A 89 -3.445 -5.440 11.086 1.00 0.34 C ATOM 970 C SER A 89 -3.005 -6.641 10.243 1.00 0.36 C ATOM 971 O SER A 89 -3.340 -7.787 10.547 1.00 0.48 O ATOM 972 CB SER A 89 -4.604 -5.825 12.009 1.00 0.45 C ATOM 973 OG SER A 89 -5.041 -4.710 12.771 1.00 1.07 O ATOM 0 H SER A 89 -3.274 -3.475 10.389 1.00 0.27 H new ATOM 0 HA SER A 89 -2.600 -5.131 11.701 1.00 0.34 H new ATOM 0 HB2 SER A 89 -5.433 -6.212 11.416 1.00 0.45 H new ATOM 0 HB3 SER A 89 -4.290 -6.626 12.678 1.00 0.45 H new ATOM 0 HG SER A 89 -5.783 -4.981 13.351 1.00 1.07 H new ATOM 979 N LEU A 90 -2.231 -6.371 9.194 1.00 0.31 N ATOM 980 CA LEU A 90 -1.776 -7.409 8.275 1.00 0.40 C ATOM 981 C LEU A 90 -0.386 -7.863 8.644 1.00 0.59 C ATOM 982 O LEU A 90 0.327 -8.378 7.787 1.00 1.23 O ATOM 983 CB LEU A 90 -1.691 -6.881 6.840 1.00 0.33 C ATOM 984 CG LEU A 90 -2.807 -5.948 6.407 1.00 0.24 C ATOM 985 CD1 LEU A 90 -2.474 -5.374 5.047 1.00 0.29 C ATOM 986 CD2 LEU A 90 -4.137 -6.691 6.367 1.00 0.27 C ATOM 0 H LEU A 90 -1.904 -5.434 8.959 1.00 0.31 H new ATOM 0 HA LEU A 90 -2.495 -8.225 8.343 1.00 0.40 H new ATOM 0 HB2 LEU A 90 -0.741 -6.359 6.722 1.00 0.33 H new ATOM 0 HB3 LEU A 90 -1.673 -7.733 6.161 1.00 0.33 H new ATOM 0 HG LEU A 90 -2.900 -5.135 7.127 1.00 0.24 H new ATOM 0 HD11 LEU A 90 -3.272 -4.703 4.730 1.00 0.29 H new ATOM 0 HD12 LEU A 90 -1.536 -4.821 5.105 1.00 0.29 H new ATOM 0 HD13 LEU A 90 -2.373 -6.184 4.325 1.00 0.29 H new ATOM 0 HD21 LEU A 90 -4.926 -6.007 6.055 1.00 0.27 H new ATOM 0 HD22 LEU A 90 -4.071 -7.517 5.659 1.00 0.27 H new ATOM 0 HD23 LEU A 90 -4.366 -7.081 7.359 1.00 0.27 H new ATOM 998 N LYS A 91 0.030 -7.574 9.878 1.00 0.24 N ATOM 999 CA LYS A 91 1.371 -7.933 10.358 1.00 0.39 C ATOM 1000 C LYS A 91 1.646 -9.441 10.321 1.00 0.26 C ATOM 1001 O LYS A 91 1.870 -10.079 11.350 1.00 0.39 O ATOM 1002 CB LYS A 91 1.585 -7.401 11.775 1.00 0.78 C ATOM 1003 CG LYS A 91 1.432 -5.894 11.884 1.00 1.31 C ATOM 1004 CD LYS A 91 1.839 -5.379 13.258 1.00 1.49 C ATOM 1005 CE LYS A 91 1.003 -5.997 14.372 1.00 1.91 C ATOM 1006 NZ LYS A 91 1.378 -5.459 15.707 1.00 2.48 N ATOM 0 H LYS A 91 -0.544 -7.090 10.568 1.00 0.24 H new ATOM 0 HA LYS A 91 2.078 -7.467 9.672 1.00 0.39 H new ATOM 0 HB2 LYS A 91 0.873 -7.880 12.446 1.00 0.78 H new ATOM 0 HB3 LYS A 91 2.582 -7.683 12.114 1.00 0.78 H new ATOM 0 HG2 LYS A 91 2.042 -5.411 11.120 1.00 1.31 H new ATOM 0 HG3 LYS A 91 0.396 -5.619 11.686 1.00 1.31 H new ATOM 0 HD2 LYS A 91 2.892 -5.600 13.430 1.00 1.49 H new ATOM 0 HD3 LYS A 91 1.733 -4.295 13.284 1.00 1.49 H new ATOM 0 HE2 LYS A 91 -0.053 -5.802 14.185 1.00 1.91 H new ATOM 0 HE3 LYS A 91 1.133 -7.079 14.367 1.00 1.91 H new ATOM 0 HZ1 LYS A 91 0.787 -5.903 16.439 1.00 2.48 H new ATOM 0 HZ2 LYS A 91 2.379 -5.667 15.896 1.00 2.48 H new ATOM 0 HZ3 LYS A 91 1.230 -4.430 15.721 1.00 2.48 H new ATOM 1020 N GLY A 92 1.616 -9.994 9.123 1.00 0.26 N ATOM 1021 CA GLY A 92 2.081 -11.325 8.854 1.00 0.31 C ATOM 1022 C GLY A 92 2.738 -11.327 7.492 1.00 0.31 C ATOM 1023 O GLY A 92 2.790 -12.341 6.797 1.00 0.47 O ATOM 0 H GLY A 92 1.258 -9.513 8.298 1.00 0.26 H new ATOM 0 HA2 GLY A 92 2.790 -11.642 9.619 1.00 0.31 H new ATOM 0 HA3 GLY A 92 1.250 -12.030 8.877 1.00 0.31 H new ATOM 1027 N VAL A 93 3.247 -10.148 7.131 1.00 0.21 N ATOM 1028 CA VAL A 93 3.899 -9.924 5.861 1.00 0.21 C ATOM 1029 C VAL A 93 5.280 -10.556 5.889 1.00 0.20 C ATOM 1030 O VAL A 93 6.000 -10.448 6.885 1.00 0.22 O ATOM 1031 CB VAL A 93 3.979 -8.399 5.558 1.00 0.21 C ATOM 1032 CG1 VAL A 93 5.401 -7.919 5.317 1.00 0.21 C ATOM 1033 CG2 VAL A 93 3.121 -8.073 4.360 1.00 0.23 C ATOM 0 H VAL A 93 3.213 -9.320 7.726 1.00 0.21 H new ATOM 0 HA VAL A 93 3.320 -10.388 5.062 1.00 0.21 H new ATOM 0 HB VAL A 93 3.611 -7.877 6.441 1.00 0.21 H new ATOM 0 HG11 VAL A 93 5.394 -6.849 5.111 1.00 0.21 H new ATOM 0 HG12 VAL A 93 6.006 -8.114 6.203 1.00 0.21 H new ATOM 0 HG13 VAL A 93 5.825 -8.450 4.464 1.00 0.21 H new ATOM 0 HG21 VAL A 93 3.179 -7.005 4.151 1.00 0.23 H new ATOM 0 HG22 VAL A 93 3.477 -8.632 3.495 1.00 0.23 H new ATOM 0 HG23 VAL A 93 2.087 -8.346 4.568 1.00 0.23 H new ATOM 1043 N ASP A 94 5.643 -11.245 4.823 1.00 0.21 N ATOM 1044 CA ASP A 94 6.961 -11.831 4.754 1.00 0.24 C ATOM 1045 C ASP A 94 7.914 -10.767 4.269 1.00 0.21 C ATOM 1046 O ASP A 94 8.010 -10.502 3.072 1.00 0.20 O ATOM 1047 CB ASP A 94 6.990 -13.052 3.833 1.00 0.32 C ATOM 1048 CG ASP A 94 8.338 -13.749 3.857 1.00 1.02 C ATOM 1049 OD1 ASP A 94 8.624 -14.466 4.831 1.00 1.10 O ATOM 1050 OD2 ASP A 94 9.119 -13.583 2.893 1.00 1.94 O ATOM 0 H ASP A 94 5.052 -11.409 4.008 1.00 0.21 H new ATOM 0 HA ASP A 94 7.257 -12.184 5.742 1.00 0.24 H new ATOM 0 HB2 ASP A 94 6.213 -13.754 4.137 1.00 0.32 H new ATOM 0 HB3 ASP A 94 6.760 -12.743 2.813 1.00 0.32 H new ATOM 1055 N PHE A 95 8.586 -10.130 5.212 1.00 0.23 N ATOM 1056 CA PHE A 95 9.425 -8.983 4.914 1.00 0.24 C ATOM 1057 C PHE A 95 10.540 -9.355 3.947 1.00 0.23 C ATOM 1058 O PHE A 95 11.128 -8.495 3.301 1.00 0.28 O ATOM 1059 CB PHE A 95 10.022 -8.406 6.197 1.00 0.29 C ATOM 1060 CG PHE A 95 9.009 -7.784 7.117 1.00 0.37 C ATOM 1061 CD1 PHE A 95 8.317 -8.563 8.029 1.00 0.41 C ATOM 1062 CD2 PHE A 95 8.743 -6.423 7.066 1.00 0.55 C ATOM 1063 CE1 PHE A 95 7.381 -8.000 8.872 1.00 0.52 C ATOM 1064 CE2 PHE A 95 7.807 -5.854 7.910 1.00 0.66 C ATOM 1065 CZ PHE A 95 7.145 -6.625 8.822 1.00 0.61 C ATOM 0 H PHE A 95 8.566 -10.391 6.198 1.00 0.23 H new ATOM 0 HA PHE A 95 8.797 -8.227 4.443 1.00 0.24 H new ATOM 0 HB2 PHE A 95 10.544 -9.200 6.732 1.00 0.29 H new ATOM 0 HB3 PHE A 95 10.767 -7.656 5.933 1.00 0.29 H new ATOM 0 HD1 PHE A 95 8.512 -9.624 8.081 1.00 0.41 H new ATOM 0 HD2 PHE A 95 9.273 -5.801 6.359 1.00 0.55 H new ATOM 0 HE1 PHE A 95 6.834 -8.620 9.567 1.00 0.52 H new ATOM 0 HE2 PHE A 95 7.599 -4.796 7.848 1.00 0.66 H new ATOM 0 HZ PHE A 95 6.440 -6.172 9.503 1.00 0.61 H new ATOM 1075 N GLN A 96 10.824 -10.647 3.860 1.00 0.21 N ATOM 1076 CA GLN A 96 11.851 -11.143 2.954 1.00 0.24 C ATOM 1077 C GLN A 96 11.319 -11.249 1.536 1.00 0.21 C ATOM 1078 O GLN A 96 12.069 -11.108 0.571 1.00 0.25 O ATOM 1079 CB GLN A 96 12.382 -12.493 3.420 1.00 0.33 C ATOM 1080 CG GLN A 96 13.205 -12.403 4.693 1.00 1.06 C ATOM 1081 CD GLN A 96 14.348 -11.417 4.563 1.00 1.50 C ATOM 1082 OE1 GLN A 96 15.454 -11.778 4.163 1.00 2.08 O ATOM 1083 NE2 GLN A 96 14.098 -10.167 4.919 1.00 1.93 N ATOM 0 H GLN A 96 10.357 -11.371 4.406 1.00 0.21 H new ATOM 0 HA GLN A 96 12.673 -10.427 2.961 1.00 0.24 H new ATOM 0 HB2 GLN A 96 11.543 -13.170 3.584 1.00 0.33 H new ATOM 0 HB3 GLN A 96 12.993 -12.929 2.630 1.00 0.33 H new ATOM 0 HG2 GLN A 96 12.561 -12.104 5.520 1.00 1.06 H new ATOM 0 HG3 GLN A 96 13.602 -13.388 4.938 1.00 1.06 H new ATOM 0 HE21 GLN A 96 13.168 -9.906 5.246 1.00 1.93 H new ATOM 0 HE22 GLN A 96 14.836 -9.465 4.867 1.00 1.93 H new ATOM 1092 N LYS A 97 10.025 -11.491 1.406 1.00 0.18 N ATOM 1093 CA LYS A 97 9.387 -11.480 0.107 1.00 0.19 C ATOM 1094 C LYS A 97 9.243 -10.031 -0.313 1.00 0.17 C ATOM 1095 O LYS A 97 9.258 -9.696 -1.493 1.00 0.20 O ATOM 1096 CB LYS A 97 8.013 -12.157 0.184 1.00 0.23 C ATOM 1097 CG LYS A 97 7.653 -13.003 -1.032 1.00 0.26 C ATOM 1098 CD LYS A 97 7.517 -12.170 -2.297 1.00 0.25 C ATOM 1099 CE LYS A 97 7.062 -13.014 -3.476 1.00 0.38 C ATOM 1100 NZ LYS A 97 8.042 -14.073 -3.825 1.00 1.43 N ATOM 0 H LYS A 97 9.399 -11.697 2.185 1.00 0.18 H new ATOM 0 HA LYS A 97 9.984 -12.030 -0.621 1.00 0.19 H new ATOM 0 HB2 LYS A 97 7.983 -12.789 1.072 1.00 0.23 H new ATOM 0 HB3 LYS A 97 7.251 -11.389 0.314 1.00 0.23 H new ATOM 0 HG2 LYS A 97 8.419 -13.764 -1.182 1.00 0.26 H new ATOM 0 HG3 LYS A 97 6.716 -13.527 -0.842 1.00 0.26 H new ATOM 0 HD2 LYS A 97 6.802 -11.365 -2.128 1.00 0.25 H new ATOM 0 HD3 LYS A 97 8.474 -11.703 -2.531 1.00 0.25 H new ATOM 0 HE2 LYS A 97 6.102 -13.474 -3.241 1.00 0.38 H new ATOM 0 HE3 LYS A 97 6.904 -12.370 -4.341 1.00 0.38 H new ATOM 0 HZ1 LYS A 97 7.755 -14.532 -4.713 1.00 1.43 H new ATOM 0 HZ2 LYS A 97 8.984 -13.649 -3.943 1.00 1.43 H new ATOM 0 HZ3 LYS A 97 8.074 -14.781 -3.064 1.00 1.43 H new ATOM 1114 N PHE A 98 9.173 -9.175 0.697 1.00 0.16 N ATOM 1115 CA PHE A 98 9.042 -7.744 0.511 1.00 0.16 C ATOM 1116 C PHE A 98 10.410 -7.079 0.423 1.00 0.20 C ATOM 1117 O PHE A 98 10.546 -5.882 0.683 1.00 0.22 O ATOM 1118 CB PHE A 98 8.244 -7.138 1.663 1.00 0.15 C ATOM 1119 CG PHE A 98 6.766 -7.200 1.453 1.00 0.11 C ATOM 1120 CD1 PHE A 98 6.088 -6.175 0.816 1.00 0.11 C ATOM 1121 CD2 PHE A 98 6.052 -8.290 1.907 1.00 0.13 C ATOM 1122 CE1 PHE A 98 4.726 -6.243 0.643 1.00 0.11 C ATOM 1123 CE2 PHE A 98 4.690 -8.367 1.729 1.00 0.13 C ATOM 1124 CZ PHE A 98 4.034 -7.288 1.034 1.00 0.12 C ATOM 0 H PHE A 98 9.206 -9.461 1.676 1.00 0.16 H new ATOM 0 HA PHE A 98 8.513 -7.569 -0.426 1.00 0.16 H new ATOM 0 HB2 PHE A 98 8.496 -7.662 2.585 1.00 0.15 H new ATOM 0 HB3 PHE A 98 8.542 -6.098 1.795 1.00 0.15 H new ATOM 0 HD1 PHE A 98 6.633 -5.316 0.453 1.00 0.11 H new ATOM 0 HD2 PHE A 98 6.570 -9.094 2.409 1.00 0.13 H new ATOM 0 HE1 PHE A 98 4.213 -5.417 0.174 1.00 0.11 H new ATOM 0 HE2 PHE A 98 4.128 -9.212 2.099 1.00 0.13 H new ATOM 0 HZ PHE A 98 2.974 -7.339 0.835 1.00 0.12 H new ATOM 1134 N CYS A 99 11.424 -7.861 0.078 1.00 0.26 N ATOM 1135 CA CYS A 99 12.764 -7.330 -0.099 1.00 0.31 C ATOM 1136 C CYS A 99 12.844 -6.540 -1.398 1.00 0.23 C ATOM 1137 O CYS A 99 13.334 -7.037 -2.415 1.00 0.27 O ATOM 1138 CB CYS A 99 13.778 -8.471 -0.139 1.00 0.45 C ATOM 1139 SG CYS A 99 15.505 -7.953 0.032 1.00 1.20 S ATOM 0 H CYS A 99 11.342 -8.865 -0.084 1.00 0.26 H new ATOM 0 HA CYS A 99 12.992 -6.672 0.740 1.00 0.31 H new ATOM 0 HB2 CYS A 99 13.543 -9.176 0.659 1.00 0.45 H new ATOM 0 HB3 CYS A 99 13.665 -9.007 -1.081 1.00 0.45 H new ATOM 0 HG CYS A 99 16.278 -8.997 -0.013 1.00 1.20 H new ATOM 1145 N MET A 100 12.354 -5.314 -1.368 1.00 0.19 N ATOM 1146 CA MET A 100 12.461 -4.435 -2.512 1.00 0.16 C ATOM 1147 C MET A 100 13.210 -3.181 -2.159 1.00 0.17 C ATOM 1148 O MET A 100 12.945 -2.546 -1.142 1.00 0.20 O ATOM 1149 CB MET A 100 11.091 -4.019 -3.065 1.00 0.22 C ATOM 1150 CG MET A 100 10.382 -5.082 -3.872 1.00 0.22 C ATOM 1151 SD MET A 100 9.486 -6.246 -2.830 1.00 0.13 S ATOM 1152 CE MET A 100 8.312 -5.152 -2.033 1.00 0.18 C ATOM 0 H MET A 100 11.879 -4.907 -0.563 1.00 0.19 H new ATOM 0 HA MET A 100 12.996 -5.004 -3.272 1.00 0.16 H new ATOM 0 HB2 MET A 100 10.451 -3.729 -2.231 1.00 0.22 H new ATOM 0 HB3 MET A 100 11.221 -3.135 -3.690 1.00 0.22 H new ATOM 0 HG2 MET A 100 9.686 -4.607 -4.563 1.00 0.22 H new ATOM 0 HG3 MET A 100 11.111 -5.624 -4.475 1.00 0.22 H new ATOM 0 HE1 MET A 100 8.559 -5.061 -0.975 1.00 0.18 H new ATOM 0 HE2 MET A 100 8.355 -4.169 -2.501 1.00 0.18 H new ATOM 0 HE3 MET A 100 7.306 -5.560 -2.137 1.00 0.18 H new ATOM 1162 N SER A 101 14.155 -2.842 -2.999 1.00 0.16 N ATOM 1163 CA SER A 101 14.613 -1.485 -3.073 1.00 0.18 C ATOM 1164 C SER A 101 13.521 -0.747 -3.827 1.00 0.14 C ATOM 1165 O SER A 101 12.774 -1.385 -4.551 1.00 0.15 O ATOM 1166 CB SER A 101 15.954 -1.398 -3.809 1.00 0.24 C ATOM 1167 OG SER A 101 16.473 -0.080 -3.794 1.00 1.26 O ATOM 0 H SER A 101 14.619 -3.488 -3.638 1.00 0.16 H new ATOM 0 HA SER A 101 14.787 -1.055 -2.087 1.00 0.18 H new ATOM 0 HB2 SER A 101 16.669 -2.077 -3.344 1.00 0.24 H new ATOM 0 HB3 SER A 101 15.826 -1.727 -4.840 1.00 0.24 H new ATOM 0 HG SER A 101 15.877 0.500 -3.276 1.00 1.26 H new ATOM 1173 N GLY A 102 13.375 0.538 -3.634 1.00 0.13 N ATOM 1174 CA GLY A 102 12.269 1.254 -4.234 1.00 0.14 C ATOM 1175 C GLY A 102 12.112 1.023 -5.730 1.00 0.14 C ATOM 1176 O GLY A 102 10.989 0.860 -6.219 1.00 0.16 O ATOM 0 H GLY A 102 14.002 1.112 -3.070 1.00 0.13 H new ATOM 0 HA2 GLY A 102 11.346 0.959 -3.734 1.00 0.14 H new ATOM 0 HA3 GLY A 102 12.402 2.321 -4.055 1.00 0.14 H new ATOM 1180 N ALA A 103 13.221 1.021 -6.459 1.00 0.17 N ATOM 1181 CA ALA A 103 13.193 0.722 -7.886 1.00 0.21 C ATOM 1182 C ALA A 103 12.621 -0.672 -8.121 1.00 0.21 C ATOM 1183 O ALA A 103 11.886 -0.903 -9.080 1.00 0.25 O ATOM 1184 CB ALA A 103 14.589 0.833 -8.477 1.00 0.26 C ATOM 0 H ALA A 103 14.149 1.222 -6.087 1.00 0.17 H new ATOM 0 HA ALA A 103 12.551 1.448 -8.384 1.00 0.21 H new ATOM 0 HB1 ALA A 103 14.552 0.607 -9.543 1.00 0.26 H new ATOM 0 HB2 ALA A 103 14.965 1.846 -8.334 1.00 0.26 H new ATOM 0 HB3 ALA A 103 15.252 0.126 -7.979 1.00 0.26 H new ATOM 1190 N ALA A 104 12.953 -1.587 -7.221 1.00 0.19 N ATOM 1191 CA ALA A 104 12.429 -2.939 -7.264 1.00 0.20 C ATOM 1192 C ALA A 104 10.959 -2.942 -6.879 1.00 0.16 C ATOM 1193 O ALA A 104 10.146 -3.621 -7.515 1.00 0.17 O ATOM 1194 CB ALA A 104 13.219 -3.848 -6.334 1.00 0.22 C ATOM 0 H ALA A 104 13.591 -1.411 -6.445 1.00 0.19 H new ATOM 0 HA ALA A 104 12.528 -3.317 -8.281 1.00 0.20 H new ATOM 0 HB1 ALA A 104 12.811 -4.858 -6.380 1.00 0.22 H new ATOM 0 HB2 ALA A 104 14.264 -3.864 -6.643 1.00 0.22 H new ATOM 0 HB3 ALA A 104 13.148 -3.474 -5.313 1.00 0.22 H new ATOM 1200 N LEU A 105 10.624 -2.191 -5.820 1.00 0.12 N ATOM 1201 CA LEU A 105 9.244 -2.003 -5.391 1.00 0.09 C ATOM 1202 C LEU A 105 8.343 -1.647 -6.550 1.00 0.12 C ATOM 1203 O LEU A 105 7.305 -2.245 -6.766 1.00 0.13 O ATOM 1204 CB LEU A 105 9.163 -0.869 -4.360 1.00 0.09 C ATOM 1205 CG LEU A 105 7.752 -0.625 -3.858 1.00 0.11 C ATOM 1206 CD1 LEU A 105 7.251 -1.836 -3.103 1.00 0.11 C ATOM 1207 CD2 LEU A 105 7.682 0.607 -2.992 1.00 0.14 C ATOM 0 H LEU A 105 11.306 -1.700 -5.242 1.00 0.12 H new ATOM 0 HA LEU A 105 8.912 -2.946 -4.956 1.00 0.09 H new ATOM 0 HB2 LEU A 105 9.808 -1.108 -3.514 1.00 0.09 H new ATOM 0 HB3 LEU A 105 9.548 0.048 -4.806 1.00 0.09 H new ATOM 0 HG LEU A 105 7.109 -0.457 -4.722 1.00 0.11 H new ATOM 0 HD11 LEU A 105 6.238 -1.650 -2.747 1.00 0.11 H new ATOM 0 HD12 LEU A 105 7.250 -2.702 -3.764 1.00 0.11 H new ATOM 0 HD13 LEU A 105 7.904 -2.030 -2.252 1.00 0.11 H new ATOM 0 HD21 LEU A 105 6.658 0.753 -2.649 1.00 0.14 H new ATOM 0 HD22 LEU A 105 8.339 0.484 -2.131 1.00 0.14 H new ATOM 0 HD23 LEU A 105 7.999 1.476 -3.569 1.00 0.14 H new ATOM 1219 N CYS A 106 8.734 -0.625 -7.238 1.00 0.21 N ATOM 1220 CA CYS A 106 8.037 -0.169 -8.411 1.00 0.31 C ATOM 1221 C CYS A 106 8.010 -1.232 -9.514 1.00 0.34 C ATOM 1222 O CYS A 106 6.946 -1.557 -10.047 1.00 0.40 O ATOM 1223 CB CYS A 106 8.723 1.095 -8.904 1.00 0.39 C ATOM 1224 SG CYS A 106 7.936 1.877 -10.329 1.00 0.74 S ATOM 0 H CYS A 106 9.558 -0.071 -7.004 1.00 0.21 H new ATOM 0 HA CYS A 106 6.998 0.034 -8.152 1.00 0.31 H new ATOM 0 HB2 CYS A 106 8.759 1.815 -8.086 1.00 0.39 H new ATOM 0 HB3 CYS A 106 9.754 0.855 -9.163 1.00 0.39 H new ATOM 0 HG CYS A 106 7.183 1.010 -10.938 1.00 0.74 H new ATOM 1230 N ALA A 107 9.183 -1.765 -9.850 1.00 0.33 N ATOM 1231 CA ALA A 107 9.335 -2.689 -10.969 1.00 0.41 C ATOM 1232 C ALA A 107 8.447 -3.932 -10.878 1.00 0.38 C ATOM 1233 O ALA A 107 8.085 -4.495 -11.914 1.00 0.46 O ATOM 1234 CB ALA A 107 10.791 -3.105 -11.092 1.00 0.47 C ATOM 0 H ALA A 107 10.053 -1.568 -9.354 1.00 0.33 H new ATOM 0 HA ALA A 107 9.008 -2.149 -11.858 1.00 0.41 H new ATOM 0 HB1 ALA A 107 10.903 -3.795 -11.928 1.00 0.47 H new ATOM 0 HB2 ALA A 107 11.408 -2.223 -11.264 1.00 0.47 H new ATOM 0 HB3 ALA A 107 11.108 -3.596 -10.172 1.00 0.47 H new ATOM 1240 N LEU A 108 8.100 -4.379 -9.668 1.00 0.29 N ATOM 1241 CA LEU A 108 7.326 -5.617 -9.535 1.00 0.26 C ATOM 1242 C LEU A 108 5.969 -5.532 -10.246 1.00 0.26 C ATOM 1243 O LEU A 108 5.515 -6.507 -10.848 1.00 0.28 O ATOM 1244 CB LEU A 108 7.163 -6.058 -8.057 1.00 0.21 C ATOM 1245 CG LEU A 108 6.806 -4.982 -7.021 1.00 0.18 C ATOM 1246 CD1 LEU A 108 5.406 -4.416 -7.236 1.00 0.21 C ATOM 1247 CD2 LEU A 108 6.938 -5.559 -5.622 1.00 0.19 C ATOM 0 H LEU A 108 8.334 -3.918 -8.789 1.00 0.29 H new ATOM 0 HA LEU A 108 7.907 -6.391 -10.037 1.00 0.26 H new ATOM 0 HB2 LEU A 108 6.391 -6.826 -8.021 1.00 0.21 H new ATOM 0 HB3 LEU A 108 8.095 -6.528 -7.743 1.00 0.21 H new ATOM 0 HG LEU A 108 7.504 -4.154 -7.144 1.00 0.18 H new ATOM 0 HD11 LEU A 108 5.199 -3.659 -6.479 1.00 0.21 H new ATOM 0 HD12 LEU A 108 5.344 -3.965 -8.227 1.00 0.21 H new ATOM 0 HD13 LEU A 108 4.673 -5.219 -7.156 1.00 0.21 H new ATOM 0 HD21 LEU A 108 6.684 -4.794 -4.888 1.00 0.19 H new ATOM 0 HD22 LEU A 108 6.261 -6.406 -5.512 1.00 0.19 H new ATOM 0 HD23 LEU A 108 7.964 -5.891 -5.461 1.00 0.19 H new ATOM 1259 N GLY A 109 5.346 -4.361 -10.212 1.00 0.27 N ATOM 1260 CA GLY A 109 4.027 -4.211 -10.792 1.00 0.32 C ATOM 1261 C GLY A 109 2.957 -4.863 -9.938 1.00 0.27 C ATOM 1262 O GLY A 109 3.270 -5.646 -9.038 1.00 0.23 O ATOM 0 H GLY A 109 5.730 -3.514 -9.794 1.00 0.27 H new ATOM 0 HA2 GLY A 109 3.801 -3.151 -10.911 1.00 0.32 H new ATOM 0 HA3 GLY A 109 4.016 -4.653 -11.788 1.00 0.32 H new ATOM 1266 N LYS A 110 1.700 -4.526 -10.204 1.00 0.33 N ATOM 1267 CA LYS A 110 0.573 -5.098 -9.469 1.00 0.36 C ATOM 1268 C LYS A 110 0.706 -6.619 -9.352 1.00 0.26 C ATOM 1269 O LYS A 110 0.662 -7.155 -8.247 1.00 0.30 O ATOM 1270 CB LYS A 110 -0.762 -4.698 -10.143 1.00 0.56 C ATOM 1271 CG LYS A 110 -1.687 -5.861 -10.502 1.00 0.63 C ATOM 1272 CD LYS A 110 -2.368 -6.457 -9.288 1.00 0.42 C ATOM 1273 CE LYS A 110 -2.675 -7.938 -9.491 1.00 0.39 C ATOM 1274 NZ LYS A 110 -3.656 -8.171 -10.581 1.00 0.67 N ATOM 0 H LYS A 110 1.433 -3.857 -10.926 1.00 0.33 H new ATOM 0 HA LYS A 110 0.578 -4.694 -8.457 1.00 0.36 H new ATOM 0 HB2 LYS A 110 -1.298 -4.022 -9.477 1.00 0.56 H new ATOM 0 HB3 LYS A 110 -0.538 -4.140 -11.052 1.00 0.56 H new ATOM 0 HG2 LYS A 110 -2.444 -5.515 -11.206 1.00 0.63 H new ATOM 0 HG3 LYS A 110 -1.111 -6.636 -11.008 1.00 0.63 H new ATOM 0 HD2 LYS A 110 -1.729 -6.333 -8.414 1.00 0.42 H new ATOM 0 HD3 LYS A 110 -3.293 -5.917 -9.086 1.00 0.42 H new ATOM 0 HE2 LYS A 110 -1.751 -8.469 -9.718 1.00 0.39 H new ATOM 0 HE3 LYS A 110 -3.063 -8.356 -8.562 1.00 0.39 H new ATOM 0 HZ1 LYS A 110 -3.830 -9.192 -10.679 1.00 0.67 H new ATOM 0 HZ2 LYS A 110 -4.548 -7.687 -10.354 1.00 0.67 H new ATOM 0 HZ3 LYS A 110 -3.277 -7.797 -11.475 1.00 0.67 H new ATOM 1288 N GLU A 111 0.870 -7.301 -10.487 1.00 0.25 N ATOM 1289 CA GLU A 111 0.905 -8.762 -10.518 1.00 0.31 C ATOM 1290 C GLU A 111 1.869 -9.318 -9.474 1.00 0.27 C ATOM 1291 O GLU A 111 1.463 -10.030 -8.557 1.00 0.39 O ATOM 1292 CB GLU A 111 1.328 -9.240 -11.908 1.00 0.48 C ATOM 1293 CG GLU A 111 0.883 -10.654 -12.233 1.00 1.39 C ATOM 1294 CD GLU A 111 -0.614 -10.752 -12.436 1.00 1.95 C ATOM 1295 OE1 GLU A 111 -1.133 -10.090 -13.359 1.00 2.54 O ATOM 1296 OE2 GLU A 111 -1.285 -11.480 -11.676 1.00 2.46 O ATOM 0 H GLU A 111 0.981 -6.861 -11.401 1.00 0.25 H new ATOM 0 HA GLU A 111 -0.096 -9.127 -10.288 1.00 0.31 H new ATOM 0 HB2 GLU A 111 0.919 -8.560 -12.655 1.00 0.48 H new ATOM 0 HB3 GLU A 111 2.414 -9.184 -11.986 1.00 0.48 H new ATOM 0 HG2 GLU A 111 1.393 -10.995 -13.134 1.00 1.39 H new ATOM 0 HG3 GLU A 111 1.183 -11.322 -11.425 1.00 1.39 H new ATOM 1303 N CYS A 112 3.129 -8.938 -9.599 1.00 0.21 N ATOM 1304 CA CYS A 112 4.173 -9.453 -8.736 1.00 0.18 C ATOM 1305 C CYS A 112 3.906 -9.085 -7.288 1.00 0.15 C ATOM 1306 O CYS A 112 4.009 -9.936 -6.415 1.00 0.17 O ATOM 1307 CB CYS A 112 5.542 -8.938 -9.181 1.00 0.21 C ATOM 1308 SG CYS A 112 6.927 -9.473 -8.147 1.00 1.36 S ATOM 0 H CYS A 112 3.454 -8.269 -10.297 1.00 0.21 H new ATOM 0 HA CYS A 112 4.174 -10.540 -8.814 1.00 0.18 H new ATOM 0 HB2 CYS A 112 5.723 -9.266 -10.204 1.00 0.21 H new ATOM 0 HB3 CYS A 112 5.517 -7.848 -9.196 1.00 0.21 H new ATOM 0 HG CYS A 112 8.035 -8.981 -8.617 1.00 1.36 H new ATOM 1314 N PHE A 113 3.560 -7.821 -7.036 1.00 0.13 N ATOM 1315 CA PHE A 113 3.274 -7.365 -5.681 1.00 0.12 C ATOM 1316 C PHE A 113 2.186 -8.212 -5.012 1.00 0.13 C ATOM 1317 O PHE A 113 2.291 -8.561 -3.839 1.00 0.14 O ATOM 1318 CB PHE A 113 2.861 -5.884 -5.668 1.00 0.12 C ATOM 1319 CG PHE A 113 3.138 -5.221 -4.348 1.00 0.10 C ATOM 1320 CD1 PHE A 113 2.387 -5.559 -3.241 1.00 0.11 C ATOM 1321 CD2 PHE A 113 4.172 -4.297 -4.196 1.00 0.11 C ATOM 1322 CE1 PHE A 113 2.642 -4.998 -2.015 1.00 0.12 C ATOM 1323 CE2 PHE A 113 4.433 -3.740 -2.964 1.00 0.13 C ATOM 1324 CZ PHE A 113 3.668 -4.090 -1.874 1.00 0.10 C ATOM 0 H PHE A 113 3.472 -7.100 -7.752 1.00 0.13 H new ATOM 0 HA PHE A 113 4.196 -7.480 -5.110 1.00 0.12 H new ATOM 0 HB2 PHE A 113 3.396 -5.354 -6.456 1.00 0.12 H new ATOM 0 HB3 PHE A 113 1.798 -5.805 -5.895 1.00 0.12 H new ATOM 0 HD1 PHE A 113 1.586 -6.276 -3.341 1.00 0.11 H new ATOM 0 HD2 PHE A 113 4.771 -4.017 -5.050 1.00 0.11 H new ATOM 0 HE1 PHE A 113 2.039 -5.268 -1.161 1.00 0.12 H new ATOM 0 HE2 PHE A 113 5.238 -3.029 -2.853 1.00 0.13 H new ATOM 0 HZ PHE A 113 3.873 -3.652 -0.908 1.00 0.10 H new ATOM 1334 N LEU A 114 1.127 -8.530 -5.734 1.00 0.14 N ATOM 1335 CA LEU A 114 0.043 -9.292 -5.125 1.00 0.17 C ATOM 1336 C LEU A 114 0.400 -10.765 -5.062 1.00 0.22 C ATOM 1337 O LEU A 114 -0.193 -11.526 -4.302 1.00 0.27 O ATOM 1338 CB LEU A 114 -1.292 -9.103 -5.834 1.00 0.19 C ATOM 1339 CG LEU A 114 -1.612 -7.690 -6.321 1.00 0.24 C ATOM 1340 CD1 LEU A 114 -3.108 -7.461 -6.308 1.00 0.54 C ATOM 1341 CD2 LEU A 114 -0.925 -6.611 -5.509 1.00 0.50 C ATOM 0 H LEU A 114 0.991 -8.283 -6.714 1.00 0.14 H new ATOM 0 HA LEU A 114 -0.080 -8.902 -4.114 1.00 0.17 H new ATOM 0 HB2 LEU A 114 -1.320 -9.774 -6.692 1.00 0.19 H new ATOM 0 HB3 LEU A 114 -2.086 -9.418 -5.157 1.00 0.19 H new ATOM 0 HG LEU A 114 -1.228 -7.618 -7.339 1.00 0.24 H new ATOM 0 HD11 LEU A 114 -3.325 -6.451 -6.657 1.00 0.54 H new ATOM 0 HD12 LEU A 114 -3.592 -8.183 -6.965 1.00 0.54 H new ATOM 0 HD13 LEU A 114 -3.486 -7.583 -5.293 1.00 0.54 H new ATOM 0 HD21 LEU A 114 -1.193 -5.631 -5.905 1.00 0.50 H new ATOM 0 HD22 LEU A 114 -1.242 -6.681 -4.469 1.00 0.50 H new ATOM 0 HD23 LEU A 114 0.155 -6.743 -5.568 1.00 0.50 H new ATOM 1353 N GLU A 115 1.347 -11.176 -5.895 1.00 0.22 N ATOM 1354 CA GLU A 115 1.945 -12.493 -5.758 1.00 0.28 C ATOM 1355 C GLU A 115 2.923 -12.472 -4.586 1.00 0.27 C ATOM 1356 O GLU A 115 3.346 -13.507 -4.070 1.00 0.37 O ATOM 1357 CB GLU A 115 2.705 -12.894 -7.024 1.00 0.37 C ATOM 1358 CG GLU A 115 1.840 -13.022 -8.269 1.00 0.48 C ATOM 1359 CD GLU A 115 2.615 -13.542 -9.466 1.00 1.33 C ATOM 1360 OE1 GLU A 115 3.182 -12.713 -10.209 1.00 2.21 O ATOM 1361 OE2 GLU A 115 2.654 -14.772 -9.675 1.00 1.81 O ATOM 0 H GLU A 115 1.714 -10.619 -6.667 1.00 0.22 H new ATOM 0 HA GLU A 115 1.147 -13.216 -5.589 1.00 0.28 H new ATOM 0 HB2 GLU A 115 3.484 -12.156 -7.213 1.00 0.37 H new ATOM 0 HB3 GLU A 115 3.205 -13.846 -6.846 1.00 0.37 H new ATOM 0 HG2 GLU A 115 1.007 -13.693 -8.061 1.00 0.48 H new ATOM 0 HG3 GLU A 115 1.413 -12.049 -8.512 1.00 0.48 H new ATOM 1368 N LEU A 116 3.260 -11.259 -4.189 1.00 0.20 N ATOM 1369 CA LEU A 116 4.308 -10.986 -3.224 1.00 0.19 C ATOM 1370 C LEU A 116 3.769 -10.925 -1.786 1.00 0.22 C ATOM 1371 O LEU A 116 4.494 -11.195 -0.830 1.00 0.26 O ATOM 1372 CB LEU A 116 4.987 -9.683 -3.661 1.00 0.15 C ATOM 1373 CG LEU A 116 5.674 -8.857 -2.592 1.00 0.13 C ATOM 1374 CD1 LEU A 116 7.039 -8.417 -3.077 1.00 0.20 C ATOM 1375 CD2 LEU A 116 4.832 -7.648 -2.254 1.00 0.16 C ATOM 0 H LEU A 116 2.802 -10.417 -4.537 1.00 0.20 H new ATOM 0 HA LEU A 116 5.036 -11.797 -3.207 1.00 0.19 H new ATOM 0 HB2 LEU A 116 5.727 -9.929 -4.423 1.00 0.15 H new ATOM 0 HB3 LEU A 116 4.234 -9.056 -4.138 1.00 0.15 H new ATOM 0 HG LEU A 116 5.795 -9.466 -1.696 1.00 0.13 H new ATOM 0 HD11 LEU A 116 7.526 -7.824 -2.303 1.00 0.20 H new ATOM 0 HD12 LEU A 116 7.647 -9.294 -3.298 1.00 0.20 H new ATOM 0 HD13 LEU A 116 6.928 -7.815 -3.979 1.00 0.20 H new ATOM 0 HD21 LEU A 116 5.332 -7.060 -1.485 1.00 0.16 H new ATOM 0 HD22 LEU A 116 4.696 -7.038 -3.147 1.00 0.16 H new ATOM 0 HD23 LEU A 116 3.859 -7.974 -1.886 1.00 0.16 H new ATOM 1387 N ALA A 117 2.496 -10.585 -1.647 1.00 0.21 N ATOM 1388 CA ALA A 117 1.813 -10.635 -0.353 1.00 0.22 C ATOM 1389 C ALA A 117 0.484 -11.355 -0.531 1.00 0.23 C ATOM 1390 O ALA A 117 0.174 -11.778 -1.640 1.00 0.26 O ATOM 1391 CB ALA A 117 1.587 -9.228 0.203 1.00 0.22 C ATOM 0 H ALA A 117 1.908 -10.269 -2.418 1.00 0.21 H new ATOM 0 HA ALA A 117 2.435 -11.174 0.362 1.00 0.22 H new ATOM 0 HB1 ALA A 117 1.078 -9.294 1.165 1.00 0.22 H new ATOM 0 HB2 ALA A 117 2.548 -8.730 0.334 1.00 0.22 H new ATOM 0 HB3 ALA A 117 0.974 -8.656 -0.493 1.00 0.22 H new ATOM 1397 N PRO A 118 -0.309 -11.558 0.536 1.00 0.24 N ATOM 1398 CA PRO A 118 -1.697 -11.976 0.372 1.00 0.25 C ATOM 1399 C PRO A 118 -2.397 -11.073 -0.636 1.00 0.22 C ATOM 1400 O PRO A 118 -2.169 -9.865 -0.649 1.00 0.18 O ATOM 1401 CB PRO A 118 -2.292 -11.790 1.761 1.00 0.28 C ATOM 1402 CG PRO A 118 -1.141 -11.956 2.691 1.00 0.32 C ATOM 1403 CD PRO A 118 0.075 -11.451 1.957 1.00 0.29 C ATOM 0 HA PRO A 118 -1.800 -12.996 0.002 1.00 0.25 H new ATOM 0 HB2 PRO A 118 -2.748 -10.806 1.868 1.00 0.28 H new ATOM 0 HB3 PRO A 118 -3.071 -12.526 1.960 1.00 0.28 H new ATOM 0 HG2 PRO A 118 -1.301 -11.394 3.611 1.00 0.32 H new ATOM 0 HG3 PRO A 118 -1.018 -13.001 2.974 1.00 0.32 H new ATOM 0 HD2 PRO A 118 0.311 -10.423 2.232 1.00 0.29 H new ATOM 0 HD3 PRO A 118 0.957 -12.052 2.181 1.00 0.29 H new ATOM 1411 N ASP A 119 -3.228 -11.660 -1.483 1.00 0.28 N ATOM 1412 CA ASP A 119 -3.834 -10.942 -2.610 1.00 0.32 C ATOM 1413 C ASP A 119 -4.634 -9.707 -2.184 1.00 0.31 C ATOM 1414 O ASP A 119 -4.958 -8.868 -3.023 1.00 0.41 O ATOM 1415 CB ASP A 119 -4.718 -11.874 -3.447 1.00 0.41 C ATOM 1416 CG ASP A 119 -6.015 -12.255 -2.761 1.00 0.81 C ATOM 1417 OD1 ASP A 119 -5.985 -13.119 -1.860 1.00 0.95 O ATOM 1418 OD2 ASP A 119 -7.066 -11.672 -3.101 1.00 1.26 O ATOM 0 H ASP A 119 -3.504 -12.640 -1.416 1.00 0.28 H new ATOM 0 HA ASP A 119 -3.001 -10.588 -3.218 1.00 0.32 H new ATOM 0 HB2 ASP A 119 -4.947 -11.389 -4.396 1.00 0.41 H new ATOM 0 HB3 ASP A 119 -4.159 -12.781 -3.679 1.00 0.41 H new ATOM 1423 N PHE A 120 -4.953 -9.579 -0.898 1.00 0.27 N ATOM 1424 CA PHE A 120 -5.630 -8.389 -0.407 1.00 0.32 C ATOM 1425 C PHE A 120 -4.586 -7.367 -0.006 1.00 0.22 C ATOM 1426 O PHE A 120 -4.669 -6.191 -0.340 1.00 0.22 O ATOM 1427 CB PHE A 120 -6.534 -8.724 0.783 1.00 0.46 C ATOM 1428 CG PHE A 120 -7.314 -7.549 1.307 1.00 0.90 C ATOM 1429 CD1 PHE A 120 -7.677 -6.501 0.473 1.00 1.04 C ATOM 1430 CD2 PHE A 120 -7.678 -7.494 2.643 1.00 1.53 C ATOM 1431 CE1 PHE A 120 -8.384 -5.422 0.963 1.00 1.45 C ATOM 1432 CE2 PHE A 120 -8.388 -6.418 3.138 1.00 1.97 C ATOM 1433 CZ PHE A 120 -8.740 -5.379 2.298 1.00 1.86 C ATOM 0 H PHE A 120 -4.754 -10.281 -0.185 1.00 0.27 H new ATOM 0 HA PHE A 120 -6.263 -7.983 -1.196 1.00 0.32 H new ATOM 0 HB2 PHE A 120 -7.232 -9.508 0.487 1.00 0.46 H new ATOM 0 HB3 PHE A 120 -5.922 -9.129 1.589 1.00 0.46 H new ATOM 0 HD1 PHE A 120 -7.403 -6.530 -0.571 1.00 1.04 H new ATOM 0 HD2 PHE A 120 -7.403 -8.302 3.305 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -8.659 -4.612 0.304 1.00 1.45 H new ATOM 0 HE2 PHE A 120 -8.668 -6.389 4.181 1.00 1.97 H new ATOM 0 HZ PHE A 120 -9.292 -4.535 2.684 1.00 1.86 H new ATOM 1443 N VAL A 121 -3.578 -7.864 0.682 1.00 0.19 N ATOM 1444 CA VAL A 121 -2.529 -7.052 1.246 1.00 0.17 C ATOM 1445 C VAL A 121 -1.627 -6.503 0.169 1.00 0.15 C ATOM 1446 O VAL A 121 -1.196 -5.354 0.241 1.00 0.14 O ATOM 1447 CB VAL A 121 -1.719 -7.895 2.223 1.00 0.18 C ATOM 1448 CG1 VAL A 121 -0.589 -7.089 2.833 1.00 0.19 C ATOM 1449 CG2 VAL A 121 -2.661 -8.444 3.271 1.00 0.22 C ATOM 0 H VAL A 121 -3.467 -8.861 0.866 1.00 0.19 H new ATOM 0 HA VAL A 121 -2.980 -6.207 1.767 1.00 0.17 H new ATOM 0 HB VAL A 121 -1.247 -8.727 1.700 1.00 0.18 H new ATOM 0 HG11 VAL A 121 -0.028 -7.716 3.526 1.00 0.19 H new ATOM 0 HG12 VAL A 121 0.075 -6.737 2.043 1.00 0.19 H new ATOM 0 HG13 VAL A 121 -1.000 -6.234 3.369 1.00 0.19 H new ATOM 0 HG21 VAL A 121 -2.101 -9.052 3.982 1.00 0.22 H new ATOM 0 HG22 VAL A 121 -3.140 -7.619 3.798 1.00 0.22 H new ATOM 0 HG23 VAL A 121 -3.422 -9.058 2.790 1.00 0.22 H new ATOM 1459 N GLY A 122 -1.331 -7.331 -0.820 1.00 0.17 N ATOM 1460 CA GLY A 122 -0.583 -6.874 -1.959 1.00 0.19 C ATOM 1461 C GLY A 122 -1.239 -5.677 -2.598 1.00 0.16 C ATOM 1462 O GLY A 122 -0.577 -4.698 -2.871 1.00 0.14 O ATOM 0 H GLY A 122 -1.599 -8.315 -0.849 1.00 0.17 H new ATOM 0 HA2 GLY A 122 0.430 -6.616 -1.652 1.00 0.19 H new ATOM 0 HA3 GLY A 122 -0.499 -7.679 -2.689 1.00 0.19 H new ATOM 1466 N ASP A 123 -2.552 -5.751 -2.811 1.00 0.18 N ATOM 1467 CA ASP A 123 -3.289 -4.676 -3.471 1.00 0.19 C ATOM 1468 C ASP A 123 -3.484 -3.509 -2.515 1.00 0.13 C ATOM 1469 O ASP A 123 -3.499 -2.357 -2.927 1.00 0.13 O ATOM 1470 CB ASP A 123 -4.637 -5.182 -4.000 1.00 0.30 C ATOM 1471 CG ASP A 123 -5.436 -4.108 -4.717 1.00 0.57 C ATOM 1472 OD1 ASP A 123 -5.004 -3.651 -5.798 1.00 0.68 O ATOM 1473 OD2 ASP A 123 -6.485 -3.686 -4.185 1.00 1.07 O ATOM 0 H ASP A 123 -3.128 -6.546 -2.535 1.00 0.18 H new ATOM 0 HA ASP A 123 -2.706 -4.330 -4.324 1.00 0.19 H new ATOM 0 HB2 ASP A 123 -4.464 -6.014 -4.682 1.00 0.30 H new ATOM 0 HB3 ASP A 123 -5.225 -5.569 -3.168 1.00 0.30 H new ATOM 1478 N ILE A 124 -3.663 -3.824 -1.238 1.00 0.12 N ATOM 1479 CA ILE A 124 -3.629 -2.816 -0.183 1.00 0.10 C ATOM 1480 C ILE A 124 -2.356 -1.987 -0.274 1.00 0.09 C ATOM 1481 O ILE A 124 -2.397 -0.770 -0.488 1.00 0.10 O ATOM 1482 CB ILE A 124 -3.753 -3.469 1.216 1.00 0.14 C ATOM 1483 CG1 ILE A 124 -5.221 -3.723 1.540 1.00 0.20 C ATOM 1484 CG2 ILE A 124 -3.117 -2.599 2.298 1.00 0.16 C ATOM 1485 CD1 ILE A 124 -5.429 -4.478 2.834 1.00 0.22 C ATOM 0 H ILE A 124 -3.834 -4.773 -0.906 1.00 0.12 H new ATOM 0 HA ILE A 124 -4.484 -2.154 -0.324 1.00 0.10 H new ATOM 0 HB ILE A 124 -3.217 -4.418 1.196 1.00 0.14 H new ATOM 0 HG12 ILE A 124 -5.743 -2.768 1.597 1.00 0.20 H new ATOM 0 HG13 ILE A 124 -5.674 -4.285 0.723 1.00 0.20 H new ATOM 0 HG21 ILE A 124 -3.222 -3.088 3.267 1.00 0.16 H new ATOM 0 HG22 ILE A 124 -2.059 -2.458 2.076 1.00 0.16 H new ATOM 0 HG23 ILE A 124 -3.615 -1.630 2.325 1.00 0.16 H new ATOM 0 HD11 ILE A 124 -6.496 -4.624 3.003 1.00 0.22 H new ATOM 0 HD12 ILE A 124 -4.935 -5.448 2.773 1.00 0.22 H new ATOM 0 HD13 ILE A 124 -5.006 -3.907 3.660 1.00 0.22 H new ATOM 1497 N LEU A 125 -1.231 -2.647 -0.127 1.00 0.08 N ATOM 1498 CA LEU A 125 0.046 -2.002 -0.264 1.00 0.08 C ATOM 1499 C LEU A 125 0.216 -1.423 -1.658 1.00 0.09 C ATOM 1500 O LEU A 125 0.678 -0.303 -1.807 1.00 0.10 O ATOM 1501 CB LEU A 125 1.143 -2.997 0.065 1.00 0.08 C ATOM 1502 CG LEU A 125 1.557 -2.989 1.523 1.00 0.08 C ATOM 1503 CD1 LEU A 125 2.441 -4.181 1.842 1.00 0.09 C ATOM 1504 CD2 LEU A 125 2.272 -1.688 1.833 1.00 0.09 C ATOM 0 H LEU A 125 -1.179 -3.642 0.090 1.00 0.08 H new ATOM 0 HA LEU A 125 0.108 -1.167 0.434 1.00 0.08 H new ATOM 0 HB2 LEU A 125 0.805 -3.998 -0.202 1.00 0.08 H new ATOM 0 HB3 LEU A 125 2.015 -2.780 -0.552 1.00 0.08 H new ATOM 0 HG LEU A 125 0.667 -3.066 2.147 1.00 0.08 H new ATOM 0 HD11 LEU A 125 2.725 -4.152 2.894 1.00 0.09 H new ATOM 0 HD12 LEU A 125 1.896 -5.103 1.638 1.00 0.09 H new ATOM 0 HD13 LEU A 125 3.338 -4.145 1.223 1.00 0.09 H new ATOM 0 HD21 LEU A 125 2.572 -1.678 2.881 1.00 0.09 H new ATOM 0 HD22 LEU A 125 3.156 -1.600 1.202 1.00 0.09 H new ATOM 0 HD23 LEU A 125 1.603 -0.850 1.639 1.00 0.09 H new ATOM 1516 N TRP A 126 -0.206 -2.167 -2.667 1.00 0.09 N ATOM 1517 CA TRP A 126 -0.114 -1.710 -4.048 1.00 0.10 C ATOM 1518 C TRP A 126 -0.905 -0.416 -4.257 1.00 0.11 C ATOM 1519 O TRP A 126 -0.461 0.464 -4.994 1.00 0.14 O ATOM 1520 CB TRP A 126 -0.591 -2.781 -5.036 1.00 0.11 C ATOM 1521 CG TRP A 126 -0.636 -2.267 -6.433 1.00 0.15 C ATOM 1522 CD1 TRP A 126 -1.750 -1.984 -7.159 1.00 0.22 C ATOM 1523 CD2 TRP A 126 0.485 -1.934 -7.254 1.00 0.16 C ATOM 1524 NE1 TRP A 126 -1.390 -1.471 -8.386 1.00 0.25 N ATOM 1525 CE2 TRP A 126 -0.019 -1.438 -8.466 1.00 0.21 C ATOM 1526 CE3 TRP A 126 1.866 -2.005 -7.077 1.00 0.17 C ATOM 1527 CZ2 TRP A 126 0.817 -1.008 -9.494 1.00 0.25 C ATOM 1528 CZ3 TRP A 126 2.695 -1.585 -8.099 1.00 0.22 C ATOM 1529 CH2 TRP A 126 2.167 -1.088 -9.294 1.00 0.25 C ATOM 0 H TRP A 126 -0.617 -3.094 -2.557 1.00 0.09 H new ATOM 0 HA TRP A 126 0.940 -1.513 -4.245 1.00 0.10 H new ATOM 0 HB2 TRP A 126 0.075 -3.642 -4.987 1.00 0.11 H new ATOM 0 HB3 TRP A 126 -1.582 -3.128 -4.745 1.00 0.11 H new ATOM 0 HD1 TRP A 126 -2.765 -2.138 -6.824 1.00 0.22 H new ATOM 0 HE1 TRP A 126 -2.035 -1.166 -9.115 1.00 0.25 H new ATOM 0 HE3 TRP A 126 2.282 -2.383 -6.155 1.00 0.17 H new ATOM 0 HZ2 TRP A 126 0.412 -0.624 -10.419 1.00 0.25 H new ATOM 0 HZ3 TRP A 126 3.766 -1.641 -7.973 1.00 0.22 H new ATOM 0 HH2 TRP A 126 2.838 -0.761 -10.074 1.00 0.25 H new ATOM 1540 N GLU A 127 -2.073 -0.302 -3.625 1.00 0.11 N ATOM 1541 CA GLU A 127 -2.822 0.947 -3.666 1.00 0.12 C ATOM 1542 C GLU A 127 -1.965 2.066 -3.146 1.00 0.12 C ATOM 1543 O GLU A 127 -1.704 3.012 -3.860 1.00 0.14 O ATOM 1544 CB GLU A 127 -4.119 0.880 -2.858 1.00 0.14 C ATOM 1545 CG GLU A 127 -5.357 0.670 -3.713 1.00 0.21 C ATOM 1546 CD GLU A 127 -5.730 1.869 -4.562 1.00 0.75 C ATOM 1547 OE1 GLU A 127 -4.998 2.163 -5.532 1.00 0.84 O ATOM 1548 OE2 GLU A 127 -6.723 2.547 -4.242 1.00 1.43 O ATOM 0 H GLU A 127 -2.513 -1.049 -3.087 1.00 0.11 H new ATOM 0 HA GLU A 127 -3.095 1.127 -4.706 1.00 0.12 H new ATOM 0 HB2 GLU A 127 -4.045 0.068 -2.134 1.00 0.14 H new ATOM 0 HB3 GLU A 127 -4.232 1.804 -2.290 1.00 0.14 H new ATOM 0 HG2 GLU A 127 -5.194 -0.188 -4.365 1.00 0.21 H new ATOM 0 HG3 GLU A 127 -6.197 0.422 -3.064 1.00 0.21 H new ATOM 1555 N HIS A 128 -1.491 1.954 -1.912 1.00 0.11 N ATOM 1556 CA HIS A 128 -0.649 3.007 -1.367 1.00 0.11 C ATOM 1557 C HIS A 128 0.598 3.175 -2.210 1.00 0.10 C ATOM 1558 O HIS A 128 1.096 4.282 -2.329 1.00 0.11 O ATOM 1559 CB HIS A 128 -0.264 2.762 0.093 1.00 0.11 C ATOM 1560 CG HIS A 128 0.245 4.004 0.777 1.00 0.12 C ATOM 1561 ND1 HIS A 128 0.715 4.016 2.071 1.00 0.14 N ATOM 1562 CD2 HIS A 128 0.320 5.288 0.343 1.00 0.14 C ATOM 1563 CE1 HIS A 128 1.051 5.250 2.407 1.00 0.15 C ATOM 1564 NE2 HIS A 128 0.825 6.041 1.377 1.00 0.15 N ATOM 0 H HIS A 128 -1.669 1.168 -1.286 1.00 0.11 H new ATOM 0 HA HIS A 128 -1.237 3.924 -1.394 1.00 0.11 H new ATOM 0 HB2 HIS A 128 -1.131 2.384 0.634 1.00 0.11 H new ATOM 0 HB3 HIS A 128 0.502 1.988 0.137 1.00 0.11 H new ATOM 0 HD2 HIS A 128 0.036 5.651 -0.634 1.00 0.14 H new ATOM 0 HE1 HIS A 128 1.444 5.558 3.364 1.00 0.15 H new ATOM 0 HE2 HIS A 128 0.996 7.046 1.351 1.00 0.15 H new ATOM 1573 N LEU A 129 1.095 2.092 -2.791 1.00 0.10 N ATOM 1574 CA LEU A 129 2.202 2.172 -3.719 1.00 0.12 C ATOM 1575 C LEU A 129 1.833 3.126 -4.829 1.00 0.15 C ATOM 1576 O LEU A 129 2.576 4.059 -5.147 1.00 0.18 O ATOM 1577 CB LEU A 129 2.522 0.780 -4.286 1.00 0.11 C ATOM 1578 CG LEU A 129 3.743 0.700 -5.201 1.00 0.12 C ATOM 1579 CD1 LEU A 129 4.783 1.696 -4.750 1.00 0.15 C ATOM 1580 CD2 LEU A 129 4.337 -0.696 -5.167 1.00 0.13 C ATOM 0 H LEU A 129 0.744 1.147 -2.632 1.00 0.10 H new ATOM 0 HA LEU A 129 3.091 2.537 -3.205 1.00 0.12 H new ATOM 0 HB2 LEU A 129 2.671 0.094 -3.452 1.00 0.11 H new ATOM 0 HB3 LEU A 129 1.653 0.425 -4.840 1.00 0.11 H new ATOM 0 HG LEU A 129 3.431 0.930 -6.220 1.00 0.12 H new ATOM 0 HD11 LEU A 129 5.652 1.636 -5.405 1.00 0.15 H new ATOM 0 HD12 LEU A 129 4.366 2.702 -4.792 1.00 0.15 H new ATOM 0 HD13 LEU A 129 5.083 1.470 -3.727 1.00 0.15 H new ATOM 0 HD21 LEU A 129 5.206 -0.738 -5.824 1.00 0.13 H new ATOM 0 HD22 LEU A 129 4.640 -0.938 -4.148 1.00 0.13 H new ATOM 0 HD23 LEU A 129 3.592 -1.417 -5.505 1.00 0.13 H new ATOM 1592 N GLU A 130 0.652 2.909 -5.370 1.00 0.17 N ATOM 1593 CA GLU A 130 0.158 3.719 -6.443 1.00 0.23 C ATOM 1594 C GLU A 130 -0.153 5.122 -5.947 1.00 0.25 C ATOM 1595 O GLU A 130 0.100 6.102 -6.625 1.00 0.37 O ATOM 1596 CB GLU A 130 -1.074 3.053 -7.085 1.00 0.27 C ATOM 1597 CG GLU A 130 -1.422 3.572 -8.475 1.00 0.69 C ATOM 1598 CD GLU A 130 -2.480 4.661 -8.472 1.00 1.22 C ATOM 1599 OE1 GLU A 130 -3.683 4.324 -8.460 1.00 1.80 O ATOM 1600 OE2 GLU A 130 -2.124 5.856 -8.519 1.00 1.73 O ATOM 0 H GLU A 130 0.017 2.168 -5.074 1.00 0.17 H new ATOM 0 HA GLU A 130 0.927 3.806 -7.211 1.00 0.23 H new ATOM 0 HB2 GLU A 130 -0.900 1.979 -7.145 1.00 0.27 H new ATOM 0 HB3 GLU A 130 -1.933 3.200 -6.431 1.00 0.27 H new ATOM 0 HG2 GLU A 130 -0.518 3.957 -8.946 1.00 0.69 H new ATOM 0 HG3 GLU A 130 -1.771 2.740 -9.087 1.00 0.69 H new ATOM 1607 N ILE A 131 -0.679 5.201 -4.746 1.00 0.20 N ATOM 1608 CA ILE A 131 -0.963 6.467 -4.098 1.00 0.21 C ATOM 1609 C ILE A 131 0.318 7.305 -3.885 1.00 0.22 C ATOM 1610 O ILE A 131 0.341 8.499 -4.154 1.00 0.27 O ATOM 1611 CB ILE A 131 -1.686 6.229 -2.757 1.00 0.21 C ATOM 1612 CG1 ILE A 131 -3.210 6.110 -2.948 1.00 0.23 C ATOM 1613 CG2 ILE A 131 -1.389 7.355 -1.782 1.00 0.23 C ATOM 1614 CD1 ILE A 131 -3.664 5.068 -3.952 1.00 0.23 C ATOM 0 H ILE A 131 -0.924 4.385 -4.185 1.00 0.20 H new ATOM 0 HA ILE A 131 -1.617 7.038 -4.758 1.00 0.21 H new ATOM 0 HB ILE A 131 -1.313 5.288 -2.353 1.00 0.21 H new ATOM 0 HG12 ILE A 131 -3.662 5.881 -1.983 1.00 0.23 H new ATOM 0 HG13 ILE A 131 -3.596 7.081 -3.259 1.00 0.23 H new ATOM 0 HG21 ILE A 131 -1.908 7.169 -0.842 1.00 0.23 H new ATOM 0 HG22 ILE A 131 -0.315 7.405 -1.600 1.00 0.23 H new ATOM 0 HG23 ILE A 131 -1.730 8.301 -2.203 1.00 0.23 H new ATOM 0 HD11 ILE A 131 -4.753 5.068 -4.009 1.00 0.23 H new ATOM 0 HD12 ILE A 131 -3.250 5.303 -4.932 1.00 0.23 H new ATOM 0 HD13 ILE A 131 -3.317 4.084 -3.637 1.00 0.23 H new ATOM 1626 N LEU A 132 1.391 6.688 -3.408 1.00 0.18 N ATOM 1627 CA LEU A 132 2.644 7.421 -3.203 1.00 0.20 C ATOM 1628 C LEU A 132 3.072 8.074 -4.500 1.00 0.25 C ATOM 1629 O LEU A 132 3.548 9.213 -4.523 1.00 0.29 O ATOM 1630 CB LEU A 132 3.779 6.513 -2.758 1.00 0.21 C ATOM 1631 CG LEU A 132 3.493 5.617 -1.573 1.00 0.21 C ATOM 1632 CD1 LEU A 132 4.116 4.269 -1.846 1.00 0.23 C ATOM 1633 CD2 LEU A 132 4.045 6.204 -0.274 1.00 0.25 C ATOM 0 H LEU A 132 1.426 5.700 -3.158 1.00 0.18 H new ATOM 0 HA LEU A 132 2.451 8.158 -2.424 1.00 0.20 H new ATOM 0 HB2 LEU A 132 4.066 5.885 -3.601 1.00 0.21 H new ATOM 0 HB3 LEU A 132 4.641 7.135 -2.517 1.00 0.21 H new ATOM 0 HG LEU A 132 2.415 5.524 -1.445 1.00 0.21 H new ATOM 0 HD11 LEU A 132 3.924 3.602 -1.005 1.00 0.23 H new ATOM 0 HD12 LEU A 132 3.683 3.845 -2.752 1.00 0.23 H new ATOM 0 HD13 LEU A 132 5.192 4.385 -1.979 1.00 0.23 H new ATOM 0 HD21 LEU A 132 3.820 5.532 0.554 1.00 0.25 H new ATOM 0 HD22 LEU A 132 5.125 6.325 -0.359 1.00 0.25 H new ATOM 0 HD23 LEU A 132 3.585 7.175 -0.089 1.00 0.25 H new ATOM 1645 N GLN A 133 2.873 7.339 -5.581 1.00 0.28 N ATOM 1646 CA GLN A 133 3.284 7.802 -6.883 1.00 0.38 C ATOM 1647 C GLN A 133 2.212 8.719 -7.466 1.00 0.37 C ATOM 1648 O GLN A 133 2.522 9.595 -8.259 1.00 0.47 O ATOM 1649 CB GLN A 133 3.603 6.615 -7.811 1.00 0.58 C ATOM 1650 CG GLN A 133 2.396 5.967 -8.473 1.00 0.79 C ATOM 1651 CD GLN A 133 2.584 4.478 -8.714 1.00 0.65 C ATOM 1652 OE1 GLN A 133 3.235 3.802 -7.774 1.00 1.22 O flip ATOM 1653 NE2 GLN A 133 2.105 3.931 -9.706 1.00 0.31 N flip ATOM 0 H GLN A 133 2.429 6.421 -5.576 1.00 0.28 H new ATOM 0 HA GLN A 133 4.203 8.380 -6.787 1.00 0.38 H new ATOM 0 HB2 GLN A 133 4.285 6.957 -8.590 1.00 0.58 H new ATOM 0 HB3 GLN A 133 4.132 5.856 -7.235 1.00 0.58 H new ATOM 0 HG2 GLN A 133 1.518 6.121 -7.846 1.00 0.79 H new ATOM 0 HG3 GLN A 133 2.200 6.462 -9.424 1.00 0.79 H new ATOM 0 HE21 GLN A 133 1.612 4.485 -10.406 1.00 0.31 H new ATOM 0 HE22 GLN A 133 2.201 2.923 -9.829 1.00 0.31 H new