USER MOD reduce.3.24.130724 H: found=0, std=0, add=636, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 635 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 Single : A 17 LYS NZ :NH3+ -160:sc= 0.132 (180deg=0.0362) USER MOD Single : A 30 GLN : amide:sc= -0.0951 X(o=-0.095,f=-0.48) USER MOD Single : A 34 LYS NZ :NH3+ -167:sc= -0.439 (180deg=-0.828) USER MOD Single : A 37 MET CE :methyl 151:sc= -2.73 (180deg=-5.06!) USER MOD Single : A 38 GLN : amide:sc= -4.54! C(o=-4.5!,f=-7!) USER MOD Single : A 39 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.2!) USER MOD Single : A 44 HIS :FLIP no HE2:sc= -1.09 F(o=-4.5!,f=-1.1) USER MOD Single : A 45 THR OG1 : rot 67:sc= 1.08 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.535 K(o=-0.54,f=-2.6) USER MOD Single : A 57 GLN : amide:sc= -0.182 K(o=-0.18,f=-2.7!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -94:sc= 1.2 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 69 GLN : amide:sc= -0.044 K(o=-0.044,f=-0.87) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.3!) USER MOD Single : A 74 HIS : no HD1:sc= -0.278 X(o=-0.28,f=-0.13) USER MOD Single : A 76 THR OG1 : rot 180:sc= -2.15! USER MOD Single : A 79 THR OG1 : rot -27:sc= 0.574 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 153:sc= -0.124 (180deg=-1.83!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 90 GLN : amide:sc= -0.553 K(o=-0.55,f=-3.8!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 63:sc= -1.44! USER MOD Single : A 95 MET CE :methyl -144:sc= 0 (180deg=-1.39!) USER MOD ----------------------------------------------------------------- ATOM 248 N LYS A 17 15.717 47.866 66.165 1.00 4.24 N ATOM 249 CA LYS A 17 15.546 47.143 64.910 1.00 1.52 C ATOM 250 C LYS A 17 14.115 46.634 64.765 1.00 15.14 C ATOM 251 O LYS A 17 13.428 46.953 63.795 1.00 20.34 O ATOM 252 CB LYS A 17 16.525 45.969 64.836 1.00 22.03 C ATOM 253 CG LYS A 17 16.457 45.044 66.038 1.00 4.44 C ATOM 254 CD LYS A 17 17.744 44.254 66.209 1.00 22.10 C ATOM 255 CE LYS A 17 17.560 42.795 65.820 1.00 61.32 C ATOM 256 NZ LYS A 17 18.782 42.232 65.183 1.00 40.23 N ATOM 0 HA LYS A 17 15.752 47.833 64.092 1.00 1.52 H new ATOM 0 HB2 LYS A 17 16.321 45.393 63.933 1.00 22.03 H new ATOM 0 HB3 LYS A 17 17.539 46.358 64.744 1.00 22.03 H new ATOM 0 HG2 LYS A 17 16.266 45.629 66.938 1.00 4.44 H new ATOM 0 HG3 LYS A 17 15.620 44.356 65.922 1.00 4.44 H new ATOM 0 HD2 LYS A 17 18.529 44.698 65.597 1.00 22.10 H new ATOM 0 HD3 LYS A 17 18.075 44.316 67.246 1.00 22.10 H new ATOM 0 HE2 LYS A 17 17.311 42.212 66.706 1.00 61.32 H new ATOM 0 HE3 LYS A 17 16.718 42.706 65.133 1.00 61.32 H new ATOM 0 HZ1 LYS A 17 18.530 41.383 64.638 1.00 40.23 H new ATOM 0 HZ2 LYS A 17 19.200 42.941 64.547 1.00 40.23 H new ATOM 0 HZ3 LYS A 17 19.472 41.978 65.919 1.00 40.23 H new ATOM 270 N TRP A 18 13.672 45.843 65.736 1.00 55.31 N ATOM 271 CA TRP A 18 12.322 45.292 65.717 1.00 72.01 C ATOM 272 C TRP A 18 11.549 45.703 66.966 1.00 11.21 C ATOM 273 O TRP A 18 12.123 46.238 67.916 1.00 23.35 O ATOM 274 CB TRP A 18 12.373 43.767 65.612 1.00 23.20 C ATOM 275 CG TRP A 18 13.307 43.276 64.548 1.00 41.32 C ATOM 276 CD1 TRP A 18 13.424 43.755 63.274 1.00 13.11 C ATOM 277 CD2 TRP A 18 14.256 42.210 64.666 1.00 73.24 C ATOM 278 NE1 TRP A 18 14.387 43.050 62.593 1.00 51.12 N ATOM 279 CE2 TRP A 18 14.913 42.098 63.426 1.00 23.02 C ATOM 280 CE3 TRP A 18 14.615 41.341 65.700 1.00 13.41 C ATOM 281 CZ2 TRP A 18 15.906 41.150 63.193 1.00 64.33 C ATOM 282 CZ3 TRP A 18 15.602 40.401 65.467 1.00 34.41 C ATOM 283 CH2 TRP A 18 16.238 40.312 64.222 1.00 14.43 C ATOM 0 H TRP A 18 14.228 45.569 66.546 1.00 55.31 H new ATOM 0 HA TRP A 18 11.805 45.692 64.845 1.00 72.01 H new ATOM 0 HB2 TRP A 18 12.679 43.354 66.573 1.00 23.20 H new ATOM 0 HB3 TRP A 18 11.371 43.390 65.408 1.00 23.20 H new ATOM 0 HD1 TRP A 18 12.845 44.568 62.862 1.00 13.11 H new ATOM 0 HE1 TRP A 18 14.665 43.210 61.625 1.00 51.12 H new ATOM 0 HE3 TRP A 18 14.130 41.403 66.663 1.00 13.41 H new ATOM 0 HZ2 TRP A 18 16.397 41.079 62.234 1.00 64.33 H new ATOM 0 HZ3 TRP A 18 15.887 39.724 66.258 1.00 34.41 H new ATOM 0 HH2 TRP A 18 17.005 39.567 64.072 1.00 14.43 H new ATOM 294 N LEU A 19 10.244 45.450 66.959 1.00 43.50 N ATOM 295 CA LEU A 19 9.393 45.792 68.092 1.00 32.41 C ATOM 296 C LEU A 19 9.979 45.257 69.395 1.00 74.25 C ATOM 297 O LEU A 19 10.011 45.960 70.407 1.00 64.01 O ATOM 298 CB LEU A 19 7.985 45.231 67.885 1.00 22.13 C ATOM 299 CG LEU A 19 6.903 45.771 68.821 1.00 74.31 C ATOM 300 CD1 LEU A 19 6.737 47.272 68.636 1.00 45.45 C ATOM 301 CD2 LEU A 19 5.582 45.054 68.580 1.00 62.21 C ATOM 0 H LEU A 19 9.753 45.009 66.181 1.00 43.50 H new ATOM 0 HA LEU A 19 9.339 46.879 68.159 1.00 32.41 H new ATOM 0 HB2 LEU A 19 7.682 45.433 66.858 1.00 22.13 H new ATOM 0 HB3 LEU A 19 8.027 44.148 67.998 1.00 22.13 H new ATOM 0 HG LEU A 19 7.213 45.584 69.849 1.00 74.31 H new ATOM 0 HD11 LEU A 19 5.963 47.638 69.310 1.00 45.45 H new ATOM 0 HD12 LEU A 19 7.679 47.773 68.859 1.00 45.45 H new ATOM 0 HD13 LEU A 19 6.450 47.482 67.606 1.00 45.45 H new ATOM 0 HD21 LEU A 19 4.824 45.451 69.255 1.00 62.21 H new ATOM 0 HD22 LEU A 19 5.267 45.209 67.548 1.00 62.21 H new ATOM 0 HD23 LEU A 19 5.708 43.987 68.764 1.00 62.21 H new ATOM 313 N ASP A 20 10.442 44.013 69.363 1.00 63.23 N ATOM 314 CA ASP A 20 11.030 43.386 70.541 1.00 43.11 C ATOM 315 C ASP A 20 12.127 42.403 70.142 1.00 35.14 C ATOM 316 O ASP A 20 11.979 41.650 69.181 1.00 44.33 O ATOM 317 CB ASP A 20 9.953 42.665 71.353 1.00 53.12 C ATOM 318 CG ASP A 20 9.888 43.150 72.788 1.00 62.40 C ATOM 319 OD1 ASP A 20 9.687 44.365 72.995 1.00 61.34 O ATOM 320 OD2 ASP A 20 10.040 42.315 73.704 1.00 55.02 O ATOM 0 H ASP A 20 10.422 43.418 68.534 1.00 63.23 H new ATOM 0 HA ASP A 20 11.474 44.169 71.156 1.00 43.11 H new ATOM 0 HB2 ASP A 20 8.983 42.814 70.878 1.00 53.12 H new ATOM 0 HB3 ASP A 20 10.151 41.593 71.343 1.00 53.12 H new ATOM 325 N GLY A 21 13.228 42.418 70.888 1.00 30.05 N ATOM 326 CA GLY A 21 14.333 41.524 70.596 1.00 65.03 C ATOM 327 C GLY A 21 15.612 42.271 70.276 1.00 43.14 C ATOM 328 O GLY A 21 16.001 42.385 69.112 1.00 34.44 O ATOM 0 H GLY A 21 13.374 43.033 71.689 1.00 30.05 H new ATOM 0 HA2 GLY A 21 14.502 40.869 71.451 1.00 65.03 H new ATOM 0 HA3 GLY A 21 14.068 40.886 69.753 1.00 65.03 H new ATOM 332 N LEU A 22 16.272 42.783 71.310 1.00 35.43 N ATOM 333 CA LEU A 22 17.515 43.525 71.134 1.00 32.32 C ATOM 334 C LEU A 22 18.520 43.170 72.225 1.00 31.25 C ATOM 335 O LEU A 22 18.201 43.210 73.413 1.00 10.21 O ATOM 336 CB LEU A 22 17.240 45.030 71.148 1.00 43.50 C ATOM 337 CG LEU A 22 16.778 45.640 69.824 1.00 32.31 C ATOM 338 CD1 LEU A 22 15.277 45.465 69.652 1.00 31.13 C ATOM 339 CD2 LEU A 22 17.156 47.112 69.754 1.00 51.30 C ATOM 0 H LEU A 22 15.966 42.697 72.279 1.00 35.43 H new ATOM 0 HA LEU A 22 17.941 43.249 70.169 1.00 32.32 H new ATOM 0 HB2 LEU A 22 16.481 45.233 71.903 1.00 43.50 H new ATOM 0 HB3 LEU A 22 18.149 45.542 71.464 1.00 43.50 H new ATOM 0 HG LEU A 22 17.281 45.118 69.010 1.00 32.31 H new ATOM 0 HD11 LEU A 22 14.966 45.905 68.705 1.00 31.13 H new ATOM 0 HD12 LEU A 22 15.032 44.403 69.657 1.00 31.13 H new ATOM 0 HD13 LEU A 22 14.757 45.962 70.471 1.00 31.13 H new ATOM 0 HD21 LEU A 22 16.819 47.529 68.805 1.00 51.30 H new ATOM 0 HD22 LEU A 22 16.681 47.649 70.575 1.00 51.30 H new ATOM 0 HD23 LEU A 22 18.238 47.214 69.831 1.00 51.30 H new ATOM 351 N ARG A 23 19.735 42.825 71.813 1.00 41.14 N ATOM 352 CA ARG A 23 20.788 42.465 72.755 1.00 12.53 C ATOM 353 C ARG A 23 21.059 43.607 73.732 1.00 3.24 C ATOM 354 O ARG A 23 20.890 43.455 74.941 1.00 62.05 O ATOM 355 CB ARG A 23 22.072 42.106 72.006 1.00 2.43 C ATOM 356 CG ARG A 23 23.117 41.429 72.878 1.00 62.21 C ATOM 357 CD ARG A 23 24.450 42.158 72.816 1.00 54.03 C ATOM 358 NE ARG A 23 25.571 41.280 73.143 1.00 22.32 N ATOM 359 CZ ARG A 23 26.766 41.722 73.518 1.00 32.10 C ATOM 360 NH1 ARG A 23 26.994 43.025 73.615 1.00 11.23 N ATOM 361 NH2 ARG A 23 27.735 40.860 73.799 1.00 22.34 N ATOM 0 H ARG A 23 20.015 42.787 70.833 1.00 41.14 H new ATOM 0 HA ARG A 23 20.451 41.597 73.322 1.00 12.53 H new ATOM 0 HB2 ARG A 23 21.825 41.448 71.173 1.00 2.43 H new ATOM 0 HB3 ARG A 23 22.500 43.013 71.579 1.00 2.43 H new ATOM 0 HG2 ARG A 23 22.766 41.397 73.910 1.00 62.21 H new ATOM 0 HG3 ARG A 23 23.250 40.397 72.554 1.00 62.21 H new ATOM 0 HD2 ARG A 23 24.592 42.570 71.817 1.00 54.03 H new ATOM 0 HD3 ARG A 23 24.435 43.000 73.508 1.00 54.03 H new ATOM 0 HE ARG A 23 25.428 40.272 73.080 1.00 22.32 H new ATOM 0 HH11 ARG A 23 26.251 43.690 73.401 1.00 11.23 H new ATOM 0 HH12 ARG A 23 27.913 43.362 73.903 1.00 11.23 H new ATOM 0 HH21 ARG A 23 27.562 39.857 73.727 1.00 22.34 H new ATOM 0 HH22 ARG A 23 28.653 41.200 74.087 1.00 22.34 H new ATOM 449 N GLN A 30 6.629 50.926 77.035 1.00 34.11 N ATOM 450 CA GLN A 30 5.810 51.553 76.004 1.00 13.43 C ATOM 451 C GLN A 30 6.674 52.042 74.846 1.00 12.34 C ATOM 452 O GLN A 30 6.195 52.198 73.724 1.00 73.13 O ATOM 453 CB GLN A 30 5.016 52.720 76.593 1.00 43.12 C ATOM 454 CG GLN A 30 5.872 53.931 76.927 1.00 52.51 C ATOM 455 CD GLN A 30 5.495 54.565 78.252 1.00 23.14 C ATOM 456 OE1 GLN A 30 5.260 53.870 79.241 1.00 70.23 O ATOM 457 NE2 GLN A 30 5.434 55.891 78.277 1.00 3.24 N ATOM 0 HA GLN A 30 5.114 50.806 75.623 1.00 13.43 H new ATOM 0 HB2 GLN A 30 4.242 53.016 75.885 1.00 43.12 H new ATOM 0 HB3 GLN A 30 4.508 52.384 77.497 1.00 43.12 H new ATOM 0 HG2 GLN A 30 6.920 53.633 76.956 1.00 52.51 H new ATOM 0 HG3 GLN A 30 5.773 54.671 76.133 1.00 52.51 H new ATOM 0 HE21 GLN A 30 5.637 56.427 77.433 1.00 3.24 H new ATOM 0 HE22 GLN A 30 5.184 56.374 79.140 1.00 3.24 H new ATOM 466 N GLY A 31 7.951 52.283 75.128 1.00 14.23 N ATOM 467 CA GLY A 31 8.862 52.752 74.100 1.00 70.31 C ATOM 468 C GLY A 31 8.680 52.019 72.786 1.00 61.11 C ATOM 469 O GLY A 31 9.060 52.522 71.728 1.00 72.14 O ATOM 0 H GLY A 31 8.371 52.162 76.050 1.00 14.23 H new ATOM 0 HA2 GLY A 31 8.708 53.819 73.942 1.00 70.31 H new ATOM 0 HA3 GLY A 31 9.889 52.626 74.444 1.00 70.31 H new ATOM 473 N ASP A 32 8.099 50.827 72.851 1.00 21.00 N ATOM 474 CA ASP A 32 7.868 50.022 71.657 1.00 43.53 C ATOM 475 C ASP A 32 6.872 50.705 70.725 1.00 70.33 C ATOM 476 O ASP A 32 7.183 50.992 69.569 1.00 4.30 O ATOM 477 CB ASP A 32 7.355 48.634 72.042 1.00 44.43 C ATOM 478 CG ASP A 32 6.374 48.679 73.196 1.00 75.22 C ATOM 479 OD1 ASP A 32 5.199 49.030 72.961 1.00 75.35 O ATOM 480 OD2 ASP A 32 6.780 48.364 74.335 1.00 61.24 O ATOM 0 H ASP A 32 7.779 50.396 73.718 1.00 21.00 H new ATOM 0 HA ASP A 32 8.817 49.917 71.132 1.00 43.53 H new ATOM 0 HB2 ASP A 32 6.874 48.175 71.178 1.00 44.43 H new ATOM 0 HB3 ASP A 32 8.199 48.000 72.311 1.00 44.43 H new ATOM 485 N VAL A 33 5.673 50.963 71.236 1.00 1.42 N ATOM 486 CA VAL A 33 4.630 51.612 70.450 1.00 43.44 C ATOM 487 C VAL A 33 4.794 53.128 70.466 1.00 12.04 C ATOM 488 O VAL A 33 4.521 53.803 69.473 1.00 50.21 O ATOM 489 CB VAL A 33 3.227 51.253 70.974 1.00 62.03 C ATOM 490 CG1 VAL A 33 2.158 51.698 69.987 1.00 4.32 C ATOM 491 CG2 VAL A 33 3.126 49.759 71.245 1.00 21.25 C ATOM 0 H VAL A 33 5.399 50.733 72.191 1.00 1.42 H new ATOM 0 HA VAL A 33 4.731 51.249 69.427 1.00 43.44 H new ATOM 0 HB VAL A 33 3.063 51.781 71.913 1.00 62.03 H new ATOM 0 HG11 VAL A 33 1.173 51.436 70.374 1.00 4.32 H new ATOM 0 HG12 VAL A 33 2.218 52.777 69.848 1.00 4.32 H new ATOM 0 HG13 VAL A 33 2.316 51.200 69.030 1.00 4.32 H new ATOM 0 HG21 VAL A 33 2.128 49.523 71.615 1.00 21.25 H new ATOM 0 HG22 VAL A 33 3.311 49.209 70.323 1.00 21.25 H new ATOM 0 HG23 VAL A 33 3.867 49.474 71.992 1.00 21.25 H new ATOM 501 N LYS A 34 5.242 53.657 71.600 1.00 64.23 N ATOM 502 CA LYS A 34 5.445 55.094 71.746 1.00 5.24 C ATOM 503 C LYS A 34 6.206 55.660 70.551 1.00 52.44 C ATOM 504 O LYS A 34 5.995 56.807 70.156 1.00 44.52 O ATOM 505 CB LYS A 34 6.207 55.393 73.038 1.00 13.03 C ATOM 506 CG LYS A 34 6.708 56.823 73.131 1.00 52.52 C ATOM 507 CD LYS A 34 7.802 56.964 74.177 1.00 34.23 C ATOM 508 CE LYS A 34 9.161 57.192 73.534 1.00 1.24 C ATOM 509 NZ LYS A 34 9.972 55.943 73.497 1.00 63.41 N ATOM 0 H LYS A 34 5.471 53.112 72.431 1.00 64.23 H new ATOM 0 HA LYS A 34 4.466 55.572 71.790 1.00 5.24 H new ATOM 0 HB2 LYS A 34 5.557 55.188 73.889 1.00 13.03 H new ATOM 0 HB3 LYS A 34 7.056 54.714 73.115 1.00 13.03 H new ATOM 0 HG2 LYS A 34 7.089 57.140 72.160 1.00 52.52 H new ATOM 0 HG3 LYS A 34 5.878 57.485 73.380 1.00 52.52 H new ATOM 0 HD2 LYS A 34 7.568 57.797 74.840 1.00 34.23 H new ATOM 0 HD3 LYS A 34 7.836 56.066 74.793 1.00 34.23 H new ATOM 0 HE2 LYS A 34 9.025 57.567 72.520 1.00 1.24 H new ATOM 0 HE3 LYS A 34 9.701 57.960 74.088 1.00 1.24 H new ATOM 0 HZ1 LYS A 34 10.958 56.176 73.260 1.00 63.41 H new ATOM 0 HZ2 LYS A 34 9.940 55.480 74.428 1.00 63.41 H new ATOM 0 HZ3 LYS A 34 9.586 55.300 72.777 1.00 63.41 H new ATOM 523 N VAL A 35 7.091 54.848 69.981 1.00 23.33 N ATOM 524 CA VAL A 35 7.881 55.268 68.830 1.00 4.03 C ATOM 525 C VAL A 35 7.173 54.929 67.523 1.00 12.22 C ATOM 526 O VAL A 35 7.296 55.649 66.532 1.00 50.33 O ATOM 527 CB VAL A 35 9.272 54.607 68.833 1.00 43.22 C ATOM 528 CG1 VAL A 35 9.907 54.707 70.212 1.00 4.41 C ATOM 529 CG2 VAL A 35 9.174 53.156 68.387 1.00 35.34 C ATOM 0 H VAL A 35 7.279 53.897 70.297 1.00 23.33 H new ATOM 0 HA VAL A 35 8.000 56.349 68.906 1.00 4.03 H new ATOM 0 HB VAL A 35 9.909 55.138 68.126 1.00 43.22 H new ATOM 0 HG11 VAL A 35 10.889 54.235 70.195 1.00 4.41 H new ATOM 0 HG12 VAL A 35 10.013 55.756 70.488 1.00 4.41 H new ATOM 0 HG13 VAL A 35 9.274 54.202 70.942 1.00 4.41 H new ATOM 0 HG21 VAL A 35 10.166 52.705 68.395 1.00 35.34 H new ATOM 0 HG22 VAL A 35 8.521 52.609 69.068 1.00 35.34 H new ATOM 0 HG23 VAL A 35 8.764 53.112 67.378 1.00 35.34 H new ATOM 539 N TRP A 36 6.430 53.828 67.528 1.00 4.14 N ATOM 540 CA TRP A 36 5.701 53.393 66.342 1.00 24.15 C ATOM 541 C TRP A 36 5.034 54.575 65.648 1.00 50.34 C ATOM 542 O TRP A 36 4.867 54.578 64.429 1.00 54.35 O ATOM 543 CB TRP A 36 4.649 52.348 66.719 1.00 40.44 C ATOM 544 CG TRP A 36 3.474 52.325 65.789 1.00 40.32 C ATOM 545 CD1 TRP A 36 3.475 51.946 64.478 1.00 23.23 C ATOM 546 CD2 TRP A 36 2.127 52.698 66.101 1.00 51.35 C ATOM 547 NE1 TRP A 36 2.209 52.062 63.955 1.00 43.50 N ATOM 548 CE2 TRP A 36 1.364 52.520 64.930 1.00 10.31 C ATOM 549 CE3 TRP A 36 1.491 53.164 67.255 1.00 42.53 C ATOM 550 CZ2 TRP A 36 0.000 52.792 64.883 1.00 75.32 C ATOM 551 CZ3 TRP A 36 0.137 53.433 67.206 1.00 70.24 C ATOM 552 CH2 TRP A 36 -0.596 53.246 66.028 1.00 34.51 C ATOM 0 H TRP A 36 6.317 53.221 68.339 1.00 4.14 H new ATOM 0 HA TRP A 36 6.416 52.946 65.651 1.00 24.15 H new ATOM 0 HB2 TRP A 36 5.114 51.362 66.730 1.00 40.44 H new ATOM 0 HB3 TRP A 36 4.298 52.546 67.732 1.00 40.44 H new ATOM 0 HD1 TRP A 36 4.342 51.605 63.932 1.00 23.23 H new ATOM 0 HE1 TRP A 36 1.942 51.842 62.995 1.00 43.50 H new ATOM 0 HE3 TRP A 36 2.048 53.311 68.168 1.00 42.53 H new ATOM 0 HZ2 TRP A 36 -0.568 52.650 63.975 1.00 75.32 H new ATOM 0 HZ3 TRP A 36 -0.365 53.794 68.092 1.00 70.24 H new ATOM 0 HH2 TRP A 36 -1.654 53.465 66.023 1.00 34.51 H new ATOM 563 N MET A 37 4.655 55.578 66.433 1.00 71.25 N ATOM 564 CA MET A 37 4.008 56.769 65.893 1.00 24.24 C ATOM 565 C MET A 37 5.008 57.635 65.134 1.00 61.12 C ATOM 566 O MET A 37 4.735 58.083 64.021 1.00 52.22 O ATOM 567 CB MET A 37 3.363 57.581 67.018 1.00 2.55 C ATOM 568 CG MET A 37 1.948 58.038 66.702 1.00 14.31 C ATOM 569 SD MET A 37 0.717 56.759 67.019 1.00 52.11 S ATOM 570 CE MET A 37 1.186 56.239 68.667 1.00 4.44 C ATOM 0 H MET A 37 4.784 55.590 67.445 1.00 71.25 H new ATOM 0 HA MET A 37 3.233 56.446 65.198 1.00 24.24 H new ATOM 0 HB2 MET A 37 3.347 56.979 67.927 1.00 2.55 H new ATOM 0 HB3 MET A 37 3.981 58.455 67.225 1.00 2.55 H new ATOM 0 HG2 MET A 37 1.713 58.919 67.300 1.00 14.31 H new ATOM 0 HG3 MET A 37 1.893 58.339 65.656 1.00 14.31 H new ATOM 0 HE1 MET A 37 0.306 55.877 69.198 1.00 4.44 H new ATOM 0 HE2 MET A 37 1.924 55.440 68.600 1.00 4.44 H new ATOM 0 HE3 MET A 37 1.614 57.084 69.207 1.00 4.44 H new ATOM 580 N GLN A 38 6.166 57.867 65.744 1.00 50.12 N ATOM 581 CA GLN A 38 7.205 58.680 65.125 1.00 54.23 C ATOM 582 C GLN A 38 7.745 58.009 63.867 1.00 51.14 C ATOM 583 O GLN A 38 8.259 58.675 62.969 1.00 25.44 O ATOM 584 CB GLN A 38 8.346 58.928 66.116 1.00 24.11 C ATOM 585 CG GLN A 38 9.471 57.911 66.013 1.00 1.41 C ATOM 586 CD GLN A 38 10.348 58.130 64.795 1.00 34.22 C ATOM 587 OE1 GLN A 38 10.311 59.192 64.174 1.00 23.14 O ATOM 588 NE2 GLN A 38 11.142 57.124 64.449 1.00 30.31 N ATOM 0 H GLN A 38 6.408 57.503 66.666 1.00 50.12 H new ATOM 0 HA GLN A 38 6.763 59.636 64.843 1.00 54.23 H new ATOM 0 HB2 GLN A 38 8.752 59.925 65.948 1.00 24.11 H new ATOM 0 HB3 GLN A 38 7.946 58.914 67.130 1.00 24.11 H new ATOM 0 HG2 GLN A 38 10.085 57.962 66.912 1.00 1.41 H new ATOM 0 HG3 GLN A 38 9.046 56.908 65.974 1.00 1.41 H new ATOM 0 HE21 GLN A 38 11.139 56.262 64.994 1.00 30.31 H new ATOM 0 HE22 GLN A 38 11.755 57.213 63.639 1.00 30.31 H new ATOM 597 N ASN A 39 7.625 56.687 63.809 1.00 51.54 N ATOM 598 CA ASN A 39 8.102 55.926 62.661 1.00 43.40 C ATOM 599 C ASN A 39 7.275 56.241 61.418 1.00 61.01 C ATOM 600 O ASN A 39 7.816 56.403 60.324 1.00 63.41 O ATOM 601 CB ASN A 39 8.046 54.425 62.957 1.00 73.23 C ATOM 602 CG ASN A 39 9.415 53.842 63.246 1.00 31.01 C ATOM 603 OD1 ASN A 39 10.425 54.313 62.725 1.00 41.22 O ATOM 604 ND2 ASN A 39 9.454 52.809 64.080 1.00 75.03 N ATOM 0 H ASN A 39 7.201 56.121 64.544 1.00 51.54 H new ATOM 0 HA ASN A 39 9.136 56.214 62.471 1.00 43.40 H new ATOM 0 HB2 ASN A 39 7.392 54.250 63.811 1.00 73.23 H new ATOM 0 HB3 ASN A 39 7.605 53.906 62.106 1.00 73.23 H new ATOM 0 HD21 ASN A 39 10.347 52.374 64.311 1.00 75.03 H new ATOM 0 HD22 ASN A 39 8.591 52.451 64.489 1.00 75.03 H new ATOM 611 N LEU A 40 5.961 56.327 61.594 1.00 72.03 N ATOM 612 CA LEU A 40 5.058 56.624 60.488 1.00 2.42 C ATOM 613 C LEU A 40 4.982 58.126 60.235 1.00 42.45 C ATOM 614 O LEU A 40 5.003 58.574 59.090 1.00 21.24 O ATOM 615 CB LEU A 40 3.662 56.072 60.781 1.00 74.15 C ATOM 616 CG LEU A 40 3.553 55.120 61.973 1.00 72.22 C ATOM 617 CD1 LEU A 40 2.135 54.585 62.100 1.00 10.21 C ATOM 618 CD2 LEU A 40 4.548 53.977 61.834 1.00 34.42 C ATOM 0 H LEU A 40 5.497 56.195 62.493 1.00 72.03 H new ATOM 0 HA LEU A 40 5.450 56.144 59.592 1.00 2.42 H new ATOM 0 HB2 LEU A 40 2.989 56.913 60.950 1.00 74.15 H new ATOM 0 HB3 LEU A 40 3.305 55.552 59.892 1.00 74.15 H new ATOM 0 HG LEU A 40 3.792 55.674 62.881 1.00 72.22 H new ATOM 0 HD11 LEU A 40 2.076 53.909 62.953 1.00 10.21 H new ATOM 0 HD12 LEU A 40 1.445 55.416 62.246 1.00 10.21 H new ATOM 0 HD13 LEU A 40 1.867 54.046 61.191 1.00 10.21 H new ATOM 0 HD21 LEU A 40 4.457 53.309 62.691 1.00 34.42 H new ATOM 0 HD22 LEU A 40 4.340 53.423 60.918 1.00 34.42 H new ATOM 0 HD23 LEU A 40 5.560 54.379 61.793 1.00 34.42 H new ATOM 630 N GLU A 41 4.896 58.899 61.313 1.00 11.45 N ATOM 631 CA GLU A 41 4.818 60.351 61.207 1.00 55.31 C ATOM 632 C GLU A 41 5.843 60.880 60.208 1.00 12.41 C ATOM 633 O GLU A 41 5.609 61.882 59.535 1.00 24.11 O ATOM 634 CB GLU A 41 5.044 60.997 62.577 1.00 23.42 C ATOM 635 CG GLU A 41 6.493 61.364 62.845 1.00 32.11 C ATOM 636 CD GLU A 41 6.646 62.329 64.004 1.00 73.14 C ATOM 637 OE1 GLU A 41 5.710 62.423 64.826 1.00 73.00 O ATOM 638 OE2 GLU A 41 7.701 62.991 64.089 1.00 53.23 O ATOM 0 H GLU A 41 4.879 58.544 62.269 1.00 11.45 H new ATOM 0 HA GLU A 41 3.821 60.611 60.850 1.00 55.31 H new ATOM 0 HB2 GLU A 41 4.431 61.895 62.651 1.00 23.42 H new ATOM 0 HB3 GLU A 41 4.702 60.312 63.353 1.00 23.42 H new ATOM 0 HG2 GLU A 41 7.061 60.457 63.055 1.00 32.11 H new ATOM 0 HG3 GLU A 41 6.923 61.809 61.948 1.00 32.11 H new ATOM 645 N ASP A 42 6.980 60.197 60.120 1.00 34.21 N ATOM 646 CA ASP A 42 8.042 60.597 59.204 1.00 24.03 C ATOM 647 C ASP A 42 7.768 60.076 57.796 1.00 63.42 C ATOM 648 O ASP A 42 7.620 60.856 56.853 1.00 5.32 O ATOM 649 CB ASP A 42 9.393 60.079 59.698 1.00 73.30 C ATOM 650 CG ASP A 42 10.555 60.899 59.173 1.00 31.15 C ATOM 651 OD1 ASP A 42 11.037 60.600 58.061 1.00 35.44 O ATOM 652 OD2 ASP A 42 10.983 61.839 59.875 1.00 32.43 O ATOM 0 H ASP A 42 7.189 59.365 60.671 1.00 34.21 H new ATOM 0 HA ASP A 42 8.070 61.686 59.171 1.00 24.03 H new ATOM 0 HB2 ASP A 42 9.407 60.091 60.788 1.00 73.30 H new ATOM 0 HB3 ASP A 42 9.516 59.041 59.389 1.00 73.30 H new ATOM 657 N LEU A 43 7.704 58.757 57.660 1.00 20.22 N ATOM 658 CA LEU A 43 7.449 58.132 56.367 1.00 71.02 C ATOM 659 C LEU A 43 6.047 58.464 55.868 1.00 62.31 C ATOM 660 O LEU A 43 5.876 58.996 54.771 1.00 62.22 O ATOM 661 CB LEU A 43 7.620 56.615 56.468 1.00 55.55 C ATOM 662 CG LEU A 43 8.368 55.945 55.316 1.00 20.12 C ATOM 663 CD1 LEU A 43 9.716 55.422 55.786 1.00 2.14 C ATOM 664 CD2 LEU A 43 7.535 54.819 54.722 1.00 22.14 C ATOM 0 H LEU A 43 7.825 58.099 58.430 1.00 20.22 H new ATOM 0 HA LEU A 43 8.172 58.526 55.653 1.00 71.02 H new ATOM 0 HB2 LEU A 43 8.146 56.390 57.396 1.00 55.55 H new ATOM 0 HB3 LEU A 43 6.631 56.163 56.544 1.00 55.55 H new ATOM 0 HG LEU A 43 8.542 56.690 54.540 1.00 20.12 H new ATOM 0 HD11 LEU A 43 10.234 54.948 54.952 1.00 2.14 H new ATOM 0 HD12 LEU A 43 10.316 56.250 56.162 1.00 2.14 H new ATOM 0 HD13 LEU A 43 9.566 54.692 56.581 1.00 2.14 H new ATOM 0 HD21 LEU A 43 8.084 54.354 53.903 1.00 22.14 H new ATOM 0 HD22 LEU A 43 7.329 54.074 55.491 1.00 22.14 H new ATOM 0 HD23 LEU A 43 6.594 55.222 54.346 1.00 22.14 H new ATOM 676 N HIS A 44 5.044 58.149 56.682 1.00 62.03 N ATOM 677 CA HIS A 44 3.656 58.418 56.325 1.00 30.43 C ATOM 678 C HIS A 44 3.517 59.793 55.680 1.00 63.51 C ATOM 679 O HIS A 44 2.770 59.967 54.716 1.00 35.31 O ATOM 680 CB HIS A 44 2.762 58.329 57.562 1.00 54.13 C ATOM 681 CG HIS A 44 1.331 58.020 57.246 1.00 0.10 C ATOM 682 ND1 HIS A 44 0.553 56.971 57.603 1.00 62.43 N flip ATOM 683 CD2 HIS A 44 0.536 58.840 56.474 1.00 34.32 C flip ATOM 684 CE1 HIS A 44 -0.685 57.176 57.045 1.00 73.10 C flip ATOM 685 NE2 HIS A 44 -0.669 58.310 56.369 1.00 33.02 N flip ATOM 0 H HIS A 44 5.167 57.707 57.593 1.00 62.03 H new ATOM 0 HA HIS A 44 3.340 57.665 55.603 1.00 30.43 H new ATOM 0 HB2 HIS A 44 3.153 57.560 58.228 1.00 54.13 H new ATOM 0 HB3 HIS A 44 2.810 59.274 58.104 1.00 54.13 H new ATOM 0 HD1 HIS A 44 0.834 56.177 58.179 1.00 62.43 H new ATOM 0 HD2 HIS A 44 0.850 59.771 56.025 1.00 34.32 H new ATOM 0 HE1 HIS A 44 -1.534 56.516 57.143 1.00 73.10 H new ATOM 693 N THR A 45 4.242 60.770 56.218 1.00 25.21 N ATOM 694 CA THR A 45 4.198 62.130 55.696 1.00 22.13 C ATOM 695 C THR A 45 4.407 62.148 54.186 1.00 2.34 C ATOM 696 O THR A 45 3.729 62.878 53.464 1.00 32.21 O ATOM 697 CB THR A 45 5.264 63.021 56.360 1.00 45.41 C ATOM 698 OG1 THR A 45 4.879 63.325 57.705 1.00 50.23 O ATOM 699 CG2 THR A 45 5.455 64.312 55.578 1.00 4.43 C ATOM 0 H THR A 45 4.866 60.644 57.015 1.00 25.21 H new ATOM 0 HA THR A 45 3.209 62.524 55.927 1.00 22.13 H new ATOM 0 HB THR A 45 6.208 62.476 56.366 1.00 45.41 H new ATOM 0 HG1 THR A 45 4.901 62.507 58.244 1.00 50.23 H new ATOM 0 HG21 THR A 45 6.213 64.925 56.067 1.00 4.43 H new ATOM 0 HG22 THR A 45 5.776 64.078 54.563 1.00 4.43 H new ATOM 0 HG23 THR A 45 4.513 64.859 55.543 1.00 4.43 H new ATOM 707 N ARG A 46 5.350 61.337 53.714 1.00 33.21 N ATOM 708 CA ARG A 46 5.648 61.260 52.289 1.00 41.13 C ATOM 709 C ARG A 46 4.794 60.193 51.612 1.00 1.15 C ATOM 710 O ARG A 46 3.948 60.502 50.772 1.00 63.21 O ATOM 711 CB ARG A 46 7.132 60.954 52.073 1.00 33.42 C ATOM 712 CG ARG A 46 7.646 61.371 50.706 1.00 63.43 C ATOM 713 CD ARG A 46 8.239 60.192 49.950 1.00 50.43 C ATOM 714 NE ARG A 46 8.978 60.618 48.764 1.00 33.30 N ATOM 715 CZ ARG A 46 9.928 59.889 48.189 1.00 42.51 C ATOM 716 NH1 ARG A 46 10.253 58.704 48.688 1.00 60.13 N ATOM 717 NH2 ARG A 46 10.555 60.345 47.112 1.00 11.24 N ATOM 0 H ARG A 46 5.920 60.725 54.298 1.00 33.21 H new ATOM 0 HA ARG A 46 5.414 62.226 51.841 1.00 41.13 H new ATOM 0 HB2 ARG A 46 7.715 61.462 52.841 1.00 33.42 H new ATOM 0 HB3 ARG A 46 7.297 59.884 52.203 1.00 33.42 H new ATOM 0 HG2 ARG A 46 6.831 61.804 50.126 1.00 63.43 H new ATOM 0 HG3 ARG A 46 8.402 62.148 50.822 1.00 63.43 H new ATOM 0 HD2 ARG A 46 8.904 59.635 50.611 1.00 50.43 H new ATOM 0 HD3 ARG A 46 7.440 59.512 49.654 1.00 50.43 H new ATOM 0 HE ARG A 46 8.752 61.525 48.355 1.00 33.30 H new ATOM 0 HH11 ARG A 46 9.773 58.350 49.516 1.00 60.13 H new ATOM 0 HH12 ARG A 46 10.983 58.147 48.244 1.00 60.13 H new ATOM 0 HH21 ARG A 46 10.308 61.256 46.725 1.00 11.24 H new ATOM 0 HH22 ARG A 46 11.284 59.785 46.671 1.00 11.24 H new ATOM 731 N ARG A 47 5.020 58.938 51.983 1.00 1.34 N ATOM 732 CA ARG A 47 4.272 57.824 51.410 1.00 54.23 C ATOM 733 C ARG A 47 3.577 57.016 52.503 1.00 62.03 C ATOM 734 O ARG A 47 4.217 56.389 53.347 1.00 41.13 O ATOM 735 CB ARG A 47 5.204 56.917 50.605 1.00 24.15 C ATOM 736 CG ARG A 47 4.471 55.896 49.749 1.00 75.24 C ATOM 737 CD ARG A 47 4.189 56.438 48.355 1.00 52.43 C ATOM 738 NE ARG A 47 3.337 55.539 47.582 1.00 62.44 N ATOM 739 CZ ARG A 47 3.162 55.642 46.269 1.00 12.23 C ATOM 740 NH1 ARG A 47 3.777 56.598 45.588 1.00 21.34 N ATOM 741 NH2 ARG A 47 2.370 54.786 45.635 1.00 41.33 N ATOM 0 H ARG A 47 5.715 58.666 52.678 1.00 1.34 H new ATOM 0 HA ARG A 47 3.511 58.233 50.745 1.00 54.23 H new ATOM 0 HB2 ARG A 47 5.832 57.534 49.962 1.00 24.15 H new ATOM 0 HB3 ARG A 47 5.869 56.393 51.291 1.00 24.15 H new ATOM 0 HG2 ARG A 47 5.068 54.987 49.673 1.00 75.24 H new ATOM 0 HG3 ARG A 47 3.533 55.622 50.231 1.00 75.24 H new ATOM 0 HD2 ARG A 47 3.709 57.413 48.435 1.00 52.43 H new ATOM 0 HD3 ARG A 47 5.131 56.589 47.827 1.00 52.43 H new ATOM 0 HE ARG A 47 2.850 54.792 48.077 1.00 62.44 H new ATOM 0 HH11 ARG A 47 4.387 57.257 46.072 1.00 21.34 H new ATOM 0 HH12 ARG A 47 3.641 56.675 44.580 1.00 21.34 H new ATOM 0 HH21 ARG A 47 1.895 54.049 46.156 1.00 41.33 H new ATOM 0 HH22 ARG A 47 2.236 54.866 44.627 1.00 41.33 H new ATOM 755 N PRO A 48 2.236 57.032 52.488 1.00 33.13 N ATOM 756 CA PRO A 48 1.426 56.305 53.470 1.00 71.41 C ATOM 757 C PRO A 48 1.508 54.795 53.287 1.00 5.24 C ATOM 758 O PRO A 48 1.806 54.060 54.229 1.00 73.32 O ATOM 759 CB PRO A 48 0.004 56.801 53.192 1.00 74.21 C ATOM 760 CG PRO A 48 0.024 57.228 51.765 1.00 71.33 C ATOM 761 CD PRO A 48 1.408 57.758 51.511 1.00 62.41 C ATOM 0 HA PRO A 48 1.764 56.485 54.490 1.00 71.41 H new ATOM 0 HB2 PRO A 48 -0.730 56.013 53.359 1.00 74.21 H new ATOM 0 HB3 PRO A 48 -0.262 57.629 53.849 1.00 74.21 H new ATOM 0 HG2 PRO A 48 -0.201 56.391 51.104 1.00 71.33 H new ATOM 0 HG3 PRO A 48 -0.728 57.994 51.576 1.00 71.33 H new ATOM 0 HD2 PRO A 48 1.731 57.564 50.488 1.00 62.41 H new ATOM 0 HD3 PRO A 48 1.460 58.836 51.663 1.00 62.41 H new ATOM 769 N ASP A 49 1.244 54.336 52.068 1.00 3.04 N ATOM 770 CA ASP A 49 1.290 52.911 51.760 1.00 41.54 C ATOM 771 C ASP A 49 2.590 52.288 52.262 1.00 60.21 C ATOM 772 O ASP A 49 2.628 51.110 52.614 1.00 45.31 O ATOM 773 CB ASP A 49 1.152 52.688 50.254 1.00 30.11 C ATOM 774 CG ASP A 49 0.687 51.284 49.917 1.00 71.31 C ATOM 775 OD1 ASP A 49 -0.514 50.996 50.104 1.00 53.31 O ATOM 776 OD2 ASP A 49 1.523 50.475 49.464 1.00 73.04 O ATOM 0 H ASP A 49 0.996 54.930 51.277 1.00 3.04 H new ATOM 0 HA ASP A 49 0.456 52.428 52.269 1.00 41.54 H new ATOM 0 HB2 ASP A 49 0.444 53.410 49.846 1.00 30.11 H new ATOM 0 HB3 ASP A 49 2.112 52.875 49.772 1.00 30.11 H new ATOM 781 N GLU A 50 3.651 53.089 52.291 1.00 22.41 N ATOM 782 CA GLU A 50 4.952 52.616 52.747 1.00 10.34 C ATOM 783 C GLU A 50 5.117 52.838 54.247 1.00 70.23 C ATOM 784 O GLU A 50 5.924 52.177 54.900 1.00 1.32 O ATOM 785 CB GLU A 50 6.074 53.327 51.988 1.00 2.20 C ATOM 786 CG GLU A 50 6.914 52.396 51.129 1.00 73.15 C ATOM 787 CD GLU A 50 6.507 52.425 49.668 1.00 13.44 C ATOM 788 OE1 GLU A 50 6.992 53.309 48.934 1.00 45.25 O ATOM 789 OE2 GLU A 50 5.703 51.560 49.261 1.00 12.31 O ATOM 0 H GLU A 50 3.635 54.068 52.004 1.00 22.41 H new ATOM 0 HA GLU A 50 5.010 51.546 52.547 1.00 10.34 H new ATOM 0 HB2 GLU A 50 5.639 54.099 51.354 1.00 2.20 H new ATOM 0 HB3 GLU A 50 6.723 53.831 52.704 1.00 2.20 H new ATOM 0 HG2 GLU A 50 7.964 52.676 51.216 1.00 73.15 H new ATOM 0 HG3 GLU A 50 6.823 51.378 51.507 1.00 73.15 H new ATOM 796 N PHE A 51 4.346 53.776 54.788 1.00 70.23 N ATOM 797 CA PHE A 51 4.407 54.090 56.211 1.00 21.04 C ATOM 798 C PHE A 51 4.420 52.814 57.048 1.00 20.25 C ATOM 799 O PHE A 51 5.249 52.654 57.944 1.00 1.32 O ATOM 800 CB PHE A 51 3.218 54.965 56.613 1.00 33.13 C ATOM 801 CG PHE A 51 2.180 54.234 57.416 1.00 74.44 C ATOM 802 CD1 PHE A 51 2.501 53.676 58.643 1.00 1.13 C ATOM 803 CD2 PHE A 51 0.884 54.106 56.944 1.00 34.43 C ATOM 804 CE1 PHE A 51 1.548 53.003 59.384 1.00 52.24 C ATOM 805 CE2 PHE A 51 -0.073 53.435 57.682 1.00 60.01 C ATOM 806 CZ PHE A 51 0.259 52.881 58.902 1.00 52.23 C ATOM 0 H PHE A 51 3.672 54.332 54.262 1.00 70.23 H new ATOM 0 HA PHE A 51 5.331 54.637 56.399 1.00 21.04 H new ATOM 0 HB2 PHE A 51 3.581 55.814 57.191 1.00 33.13 H new ATOM 0 HB3 PHE A 51 2.753 55.368 55.713 1.00 33.13 H new ATOM 0 HD1 PHE A 51 3.507 53.768 59.025 1.00 1.13 H new ATOM 0 HD2 PHE A 51 0.618 54.535 55.989 1.00 34.43 H new ATOM 0 HE1 PHE A 51 1.811 52.573 60.339 1.00 52.24 H new ATOM 0 HE2 PHE A 51 -1.081 53.344 57.304 1.00 60.01 H new ATOM 0 HZ PHE A 51 -0.487 52.354 59.478 1.00 52.23 H new ATOM 816 N THR A 52 3.493 51.908 56.750 1.00 42.43 N ATOM 817 CA THR A 52 3.397 50.648 57.475 1.00 34.13 C ATOM 818 C THR A 52 4.656 49.809 57.292 1.00 22.01 C ATOM 819 O THR A 52 4.978 48.964 58.127 1.00 75.52 O ATOM 820 CB THR A 52 2.176 49.828 57.015 1.00 54.41 C ATOM 821 OG1 THR A 52 2.475 48.429 57.077 1.00 22.02 O ATOM 822 CG2 THR A 52 1.774 50.204 55.598 1.00 63.23 C ATOM 0 H THR A 52 2.799 52.024 56.012 1.00 42.43 H new ATOM 0 HA THR A 52 3.282 50.899 58.530 1.00 34.13 H new ATOM 0 HB THR A 52 1.343 50.051 57.682 1.00 54.41 H new ATOM 0 HG1 THR A 52 1.694 47.914 56.785 1.00 22.02 H new ATOM 0 HG21 THR A 52 0.910 49.612 55.296 1.00 63.23 H new ATOM 0 HG22 THR A 52 1.519 51.263 55.561 1.00 63.23 H new ATOM 0 HG23 THR A 52 2.604 50.007 54.920 1.00 63.23 H new ATOM 830 N ALA A 53 5.365 50.048 56.194 1.00 5.33 N ATOM 831 CA ALA A 53 6.591 49.316 55.903 1.00 45.11 C ATOM 832 C ALA A 53 7.629 49.524 57.000 1.00 53.44 C ATOM 833 O ALA A 53 8.576 48.747 57.129 1.00 32.33 O ATOM 834 CB ALA A 53 7.154 49.744 54.554 1.00 53.51 C ATOM 0 H ALA A 53 5.111 50.743 55.492 1.00 5.33 H new ATOM 0 HA ALA A 53 6.349 48.254 55.864 1.00 45.11 H new ATOM 0 HB1 ALA A 53 8.070 49.189 54.349 1.00 53.51 H new ATOM 0 HB2 ALA A 53 6.423 49.538 53.773 1.00 53.51 H new ATOM 0 HB3 ALA A 53 7.373 50.812 54.573 1.00 53.51 H new ATOM 840 N ARG A 54 7.445 50.576 57.791 1.00 31.40 N ATOM 841 CA ARG A 54 8.367 50.887 58.877 1.00 23.41 C ATOM 842 C ARG A 54 8.162 49.935 60.052 1.00 13.33 C ATOM 843 O ARG A 54 9.041 49.135 60.378 1.00 62.54 O ATOM 844 CB ARG A 54 8.175 52.333 59.339 1.00 1.20 C ATOM 845 CG ARG A 54 9.405 52.926 60.007 1.00 1.20 C ATOM 846 CD ARG A 54 9.787 54.260 59.386 1.00 71.13 C ATOM 847 NE ARG A 54 11.217 54.339 59.094 1.00 13.12 N ATOM 848 CZ ARG A 54 11.835 53.538 58.233 1.00 60.23 C ATOM 849 NH1 ARG A 54 11.153 52.606 57.582 1.00 45.35 N ATOM 850 NH2 ARG A 54 13.138 53.671 58.021 1.00 72.33 N ATOM 0 H ARG A 54 6.666 51.228 57.700 1.00 31.40 H new ATOM 0 HA ARG A 54 9.384 50.764 58.504 1.00 23.41 H new ATOM 0 HB2 ARG A 54 7.906 52.948 58.480 1.00 1.20 H new ATOM 0 HB3 ARG A 54 7.338 52.375 60.035 1.00 1.20 H new ATOM 0 HG2 ARG A 54 9.213 53.061 61.071 1.00 1.20 H new ATOM 0 HG3 ARG A 54 10.239 52.230 59.919 1.00 1.20 H new ATOM 0 HD2 ARG A 54 9.221 54.407 58.466 1.00 71.13 H new ATOM 0 HD3 ARG A 54 9.510 55.068 60.064 1.00 71.13 H new ATOM 0 HE ARG A 54 11.770 55.047 59.577 1.00 13.12 H new ATOM 0 HH11 ARG A 54 10.151 52.502 57.742 1.00 45.35 H new ATOM 0 HH12 ARG A 54 11.630 51.993 56.922 1.00 45.35 H new ATOM 0 HH21 ARG A 54 13.665 54.388 58.519 1.00 72.33 H new ATOM 0 HH22 ARG A 54 13.613 53.056 57.360 1.00 72.33 H new ATOM 864 N LEU A 55 6.998 50.027 60.685 1.00 3.12 N ATOM 865 CA LEU A 55 6.677 49.174 61.825 1.00 62.34 C ATOM 866 C LEU A 55 6.242 47.787 61.362 1.00 73.41 C ATOM 867 O LEU A 55 6.238 46.836 62.143 1.00 61.43 O ATOM 868 CB LEU A 55 5.573 49.813 62.669 1.00 3.41 C ATOM 869 CG LEU A 55 4.173 49.810 62.056 1.00 1.33 C ATOM 870 CD1 LEU A 55 4.162 50.584 60.747 1.00 24.15 C ATOM 871 CD2 LEU A 55 3.688 48.384 61.839 1.00 12.41 C ATOM 0 H LEU A 55 6.260 50.683 60.429 1.00 3.12 H new ATOM 0 HA LEU A 55 7.575 49.068 62.433 1.00 62.34 H new ATOM 0 HB2 LEU A 55 5.530 49.295 63.627 1.00 3.41 H new ATOM 0 HB3 LEU A 55 5.854 50.845 62.878 1.00 3.41 H new ATOM 0 HG LEU A 55 3.492 50.302 62.751 1.00 1.33 H new ATOM 0 HD11 LEU A 55 3.157 50.571 60.325 1.00 24.15 H new ATOM 0 HD12 LEU A 55 4.465 51.615 60.931 1.00 24.15 H new ATOM 0 HD13 LEU A 55 4.856 50.122 60.045 1.00 24.15 H new ATOM 0 HD21 LEU A 55 2.690 48.402 61.402 1.00 12.41 H new ATOM 0 HD22 LEU A 55 4.370 47.866 61.165 1.00 12.41 H new ATOM 0 HD23 LEU A 55 3.656 47.861 62.795 1.00 12.41 H new ATOM 883 N GLN A 56 5.879 47.681 60.088 1.00 35.30 N ATOM 884 CA GLN A 56 5.444 46.410 59.521 1.00 33.22 C ATOM 885 C GLN A 56 6.360 45.274 59.965 1.00 73.20 C ATOM 886 O GLN A 56 5.895 44.180 60.285 1.00 54.13 O ATOM 887 CB GLN A 56 5.415 46.491 57.994 1.00 43.31 C ATOM 888 CG GLN A 56 5.625 45.150 57.310 1.00 35.21 C ATOM 889 CD GLN A 56 5.645 45.263 55.798 1.00 15.13 C ATOM 890 OE1 GLN A 56 5.269 46.292 55.237 1.00 24.31 O ATOM 891 NE2 GLN A 56 6.084 44.203 55.131 1.00 3.13 N ATOM 0 H GLN A 56 5.877 48.460 59.429 1.00 35.30 H new ATOM 0 HA GLN A 56 4.438 46.204 59.885 1.00 33.22 H new ATOM 0 HB2 GLN A 56 4.457 46.904 57.678 1.00 43.31 H new ATOM 0 HB3 GLN A 56 6.187 47.185 57.660 1.00 43.31 H new ATOM 0 HG2 GLN A 56 6.565 44.716 57.651 1.00 35.21 H new ATOM 0 HG3 GLN A 56 4.831 44.466 57.609 1.00 35.21 H new ATOM 0 HE21 GLN A 56 6.386 43.371 55.638 1.00 3.13 H new ATOM 0 HE22 GLN A 56 6.120 44.221 54.112 1.00 3.13 H new ATOM 900 N GLN A 57 7.662 45.542 59.981 1.00 34.42 N ATOM 901 CA GLN A 57 8.642 44.541 60.385 1.00 54.22 C ATOM 902 C GLN A 57 8.757 44.475 61.904 1.00 14.42 C ATOM 903 O GLN A 57 9.222 43.478 62.458 1.00 30.41 O ATOM 904 CB GLN A 57 10.007 44.857 59.771 1.00 75.12 C ATOM 905 CG GLN A 57 10.067 44.623 58.271 1.00 42.03 C ATOM 906 CD GLN A 57 11.437 44.168 57.806 1.00 11.14 C ATOM 907 OE1 GLN A 57 12.309 43.856 58.618 1.00 35.31 O ATOM 908 NE2 GLN A 57 11.635 44.127 56.494 1.00 22.54 N ATOM 0 H GLN A 57 8.062 46.443 59.719 1.00 34.42 H new ATOM 0 HA GLN A 57 8.304 43.570 60.022 1.00 54.22 H new ATOM 0 HB2 GLN A 57 10.258 45.897 59.978 1.00 75.12 H new ATOM 0 HB3 GLN A 57 10.766 44.243 60.257 1.00 75.12 H new ATOM 0 HG2 GLN A 57 9.326 43.873 57.994 1.00 42.03 H new ATOM 0 HG3 GLN A 57 9.799 45.543 57.752 1.00 42.03 H new ATOM 0 HE21 GLN A 57 10.885 44.394 55.856 1.00 22.54 H new ATOM 0 HE22 GLN A 57 12.537 43.828 56.123 1.00 22.54 H new ATOM 917 N SER A 58 8.332 45.543 62.573 1.00 11.44 N ATOM 918 CA SER A 58 8.392 45.606 64.029 1.00 44.34 C ATOM 919 C SER A 58 7.230 44.841 64.654 1.00 73.43 C ATOM 920 O SER A 58 7.430 43.864 65.377 1.00 44.41 O ATOM 921 CB SER A 58 8.370 47.062 64.498 1.00 4.10 C ATOM 922 OG SER A 58 9.353 47.829 63.823 1.00 71.13 O ATOM 0 H SER A 58 7.943 46.375 62.130 1.00 11.44 H new ATOM 0 HA SER A 58 9.324 45.142 64.350 1.00 44.34 H new ATOM 0 HB2 SER A 58 7.384 47.490 64.319 1.00 4.10 H new ATOM 0 HB3 SER A 58 8.546 47.104 65.573 1.00 4.10 H new ATOM 0 HG SER A 58 9.318 48.756 64.139 1.00 71.13 H new ATOM 928 N THR A 59 6.012 45.293 64.371 1.00 51.25 N ATOM 929 CA THR A 59 4.816 44.653 64.907 1.00 70.45 C ATOM 930 C THR A 59 4.921 43.135 64.824 1.00 63.24 C ATOM 931 O THR A 59 4.264 42.416 65.576 1.00 21.51 O ATOM 932 CB THR A 59 3.551 45.111 64.157 1.00 71.12 C ATOM 933 OG1 THR A 59 2.381 44.683 64.863 1.00 42.31 O ATOM 934 CG2 THR A 59 3.529 44.553 62.743 1.00 65.53 C ATOM 0 H THR A 59 5.828 46.099 63.774 1.00 51.25 H new ATOM 0 HA THR A 59 4.738 44.952 65.952 1.00 70.45 H new ATOM 0 HB THR A 59 3.563 46.199 64.101 1.00 71.12 H new ATOM 0 HG1 THR A 59 2.071 43.830 64.495 1.00 42.31 H new ATOM 0 HG21 THR A 59 2.627 44.890 62.233 1.00 65.53 H new ATOM 0 HG22 THR A 59 4.406 44.905 62.199 1.00 65.53 H new ATOM 0 HG23 THR A 59 3.539 43.464 62.782 1.00 65.53 H new ATOM 942 N ASP A 60 5.752 42.653 63.905 1.00 31.30 N ATOM 943 CA ASP A 60 5.944 41.219 63.725 1.00 60.44 C ATOM 944 C ASP A 60 6.222 40.536 65.061 1.00 61.34 C ATOM 945 O ASP A 60 5.752 39.428 65.312 1.00 11.23 O ATOM 946 CB ASP A 60 7.096 40.955 62.754 1.00 22.42 C ATOM 947 CG ASP A 60 6.715 39.982 61.655 1.00 54.32 C ATOM 948 OD1 ASP A 60 6.329 38.840 61.983 1.00 44.20 O ATOM 949 OD2 ASP A 60 6.804 40.361 60.469 1.00 64.01 O ATOM 0 H ASP A 60 6.303 43.235 63.274 1.00 31.30 H new ATOM 0 HA ASP A 60 5.026 40.804 63.309 1.00 60.44 H new ATOM 0 HB2 ASP A 60 7.414 41.897 62.307 1.00 22.42 H new ATOM 0 HB3 ASP A 60 7.949 40.560 63.306 1.00 22.42 H new ATOM 954 N ALA A 61 6.991 41.206 65.913 1.00 3.22 N ATOM 955 CA ALA A 61 7.331 40.664 67.223 1.00 52.24 C ATOM 956 C ALA A 61 6.076 40.318 68.016 1.00 10.44 C ATOM 957 O ALA A 61 5.882 39.172 68.423 1.00 4.42 O ATOM 958 CB ALA A 61 8.190 41.653 67.996 1.00 60.34 C ATOM 0 H ALA A 61 7.390 42.125 65.720 1.00 3.22 H new ATOM 0 HA ALA A 61 7.899 39.746 67.073 1.00 52.24 H new ATOM 0 HB1 ALA A 61 8.436 41.235 68.972 1.00 60.34 H new ATOM 0 HB2 ALA A 61 9.108 41.848 67.442 1.00 60.34 H new ATOM 0 HB3 ALA A 61 7.641 42.586 68.128 1.00 60.34 H new ATOM 964 N LEU A 62 5.226 41.315 68.234 1.00 15.41 N ATOM 965 CA LEU A 62 3.988 41.116 68.982 1.00 64.32 C ATOM 966 C LEU A 62 3.042 40.187 68.228 1.00 72.51 C ATOM 967 O LEU A 62 2.407 39.315 68.823 1.00 65.10 O ATOM 968 CB LEU A 62 3.304 42.460 69.240 1.00 1.52 C ATOM 969 CG LEU A 62 2.341 42.503 70.427 1.00 70.53 C ATOM 970 CD1 LEU A 62 2.675 43.671 71.343 1.00 1.22 C ATOM 971 CD2 LEU A 62 0.902 42.600 69.943 1.00 23.43 C ATOM 0 H LEU A 62 5.370 42.269 67.904 1.00 15.41 H new ATOM 0 HA LEU A 62 4.238 40.654 69.937 1.00 64.32 H new ATOM 0 HB2 LEU A 62 4.075 43.214 69.395 1.00 1.52 H new ATOM 0 HB3 LEU A 62 2.756 42.745 68.342 1.00 1.52 H new ATOM 0 HG LEU A 62 2.452 41.579 70.994 1.00 70.53 H new ATOM 0 HD11 LEU A 62 1.979 43.686 72.182 1.00 1.22 H new ATOM 0 HD12 LEU A 62 3.693 43.560 71.717 1.00 1.22 H new ATOM 0 HD13 LEU A 62 2.592 44.605 70.787 1.00 1.22 H new ATOM 0 HD21 LEU A 62 0.231 42.630 70.801 1.00 23.43 H new ATOM 0 HD22 LEU A 62 0.777 43.508 69.353 1.00 23.43 H new ATOM 0 HD23 LEU A 62 0.666 41.732 69.327 1.00 23.43 H new ATOM 983 N TYR A 63 2.953 40.378 66.916 1.00 73.13 N ATOM 984 CA TYR A 63 2.084 39.559 66.082 1.00 4.04 C ATOM 985 C TYR A 63 2.382 38.075 66.276 1.00 15.15 C ATOM 986 O TYR A 63 1.516 37.306 66.695 1.00 22.54 O ATOM 987 CB TYR A 63 2.254 39.934 64.608 1.00 72.50 C ATOM 988 CG TYR A 63 1.112 40.761 64.059 1.00 40.40 C ATOM 989 CD1 TYR A 63 0.860 42.039 64.541 1.00 3.24 C ATOM 990 CD2 TYR A 63 0.287 40.263 63.059 1.00 21.45 C ATOM 991 CE1 TYR A 63 -0.182 42.797 64.042 1.00 15.01 C ATOM 992 CE2 TYR A 63 -0.757 41.014 62.554 1.00 20.20 C ATOM 993 CZ TYR A 63 -0.987 42.281 63.049 1.00 5.53 C ATOM 994 OH TYR A 63 -2.026 43.033 62.549 1.00 3.24 O ATOM 0 H TYR A 63 3.473 41.094 66.408 1.00 73.13 H new ATOM 0 HA TYR A 63 1.053 39.747 66.383 1.00 4.04 H new ATOM 0 HB2 TYR A 63 3.184 40.489 64.488 1.00 72.50 H new ATOM 0 HB3 TYR A 63 2.348 39.022 64.018 1.00 72.50 H new ATOM 0 HD1 TYR A 63 1.489 42.447 65.319 1.00 3.24 H new ATOM 0 HD2 TYR A 63 0.465 39.272 62.669 1.00 21.45 H new ATOM 0 HE1 TYR A 63 -0.365 43.789 64.428 1.00 15.01 H new ATOM 0 HE2 TYR A 63 -1.389 40.612 61.776 1.00 20.20 H new ATOM 0 HH TYR A 63 -2.494 42.524 61.855 1.00 3.24 H new ATOM 1004 N SER A 64 3.614 37.680 65.972 1.00 64.51 N ATOM 1005 CA SER A 64 4.028 36.289 66.110 1.00 34.44 C ATOM 1006 C SER A 64 4.067 35.877 67.579 1.00 62.15 C ATOM 1007 O SER A 64 3.881 34.708 67.913 1.00 5.22 O ATOM 1008 CB SER A 64 5.402 36.077 65.473 1.00 21.52 C ATOM 1009 OG SER A 64 5.327 36.165 64.060 1.00 42.14 O ATOM 0 H SER A 64 4.344 38.304 65.628 1.00 64.51 H new ATOM 0 HA SER A 64 3.297 35.666 65.595 1.00 34.44 H new ATOM 0 HB2 SER A 64 6.101 36.823 65.851 1.00 21.52 H new ATOM 0 HB3 SER A 64 5.793 35.101 65.760 1.00 21.52 H new ATOM 0 HG SER A 64 6.218 36.028 63.676 1.00 42.14 H new ATOM 1015 N HIS A 65 4.312 36.850 68.452 1.00 15.15 N ATOM 1016 CA HIS A 65 4.375 36.590 69.886 1.00 42.53 C ATOM 1017 C HIS A 65 3.042 36.057 70.402 1.00 74.33 C ATOM 1018 O HIS A 65 2.981 34.987 71.008 1.00 72.11 O ATOM 1019 CB HIS A 65 4.755 37.864 70.640 1.00 33.10 C ATOM 1020 CG HIS A 65 4.604 37.749 72.126 1.00 55.35 C ATOM 1021 ND1 HIS A 65 3.810 38.596 72.870 1.00 35.21 N ATOM 1022 CD2 HIS A 65 5.149 36.878 73.007 1.00 60.12 C ATOM 1023 CE1 HIS A 65 3.875 38.252 74.143 1.00 74.12 C ATOM 1024 NE2 HIS A 65 4.681 37.212 74.254 1.00 25.31 N ATOM 0 H HIS A 65 4.470 37.824 68.192 1.00 15.15 H new ATOM 0 HA HIS A 65 5.139 35.832 70.059 1.00 42.53 H new ATOM 0 HB2 HIS A 65 5.789 38.120 70.407 1.00 33.10 H new ATOM 0 HB3 HIS A 65 4.135 38.686 70.283 1.00 33.10 H new ATOM 0 HD2 HIS A 65 5.826 36.070 72.773 1.00 60.12 H new ATOM 0 HE1 HIS A 65 3.357 38.739 74.956 1.00 74.12 H new ATOM 0 HE2 HIS A 65 4.917 36.735 75.124 1.00 25.31 H new ATOM 1032 N LEU A 66 1.975 36.812 70.160 1.00 60.33 N ATOM 1033 CA LEU A 66 0.642 36.416 70.600 1.00 73.24 C ATOM 1034 C LEU A 66 0.102 35.277 69.743 1.00 35.24 C ATOM 1035 O LEU A 66 -0.366 34.264 70.263 1.00 44.35 O ATOM 1036 CB LEU A 66 -0.311 37.612 70.541 1.00 51.11 C ATOM 1037 CG LEU A 66 -1.776 37.318 70.866 1.00 60.51 C ATOM 1038 CD1 LEU A 66 -2.079 37.659 72.317 1.00 1.23 C ATOM 1039 CD2 LEU A 66 -2.695 38.093 69.931 1.00 12.55 C ATOM 0 H LEU A 66 2.008 37.701 69.662 1.00 60.33 H new ATOM 0 HA LEU A 66 0.714 36.067 71.630 1.00 73.24 H new ATOM 0 HB2 LEU A 66 0.049 38.373 71.234 1.00 51.11 H new ATOM 0 HB3 LEU A 66 -0.261 38.043 69.541 1.00 51.11 H new ATOM 0 HG LEU A 66 -1.955 36.253 70.719 1.00 60.51 H new ATOM 0 HD11 LEU A 66 -3.126 37.443 72.530 1.00 1.23 H new ATOM 0 HD12 LEU A 66 -1.445 37.061 72.971 1.00 1.23 H new ATOM 0 HD13 LEU A 66 -1.884 38.717 72.490 1.00 1.23 H new ATOM 0 HD21 LEU A 66 -3.734 37.872 70.176 1.00 12.55 H new ATOM 0 HD22 LEU A 66 -2.514 39.162 70.047 1.00 12.55 H new ATOM 0 HD23 LEU A 66 -2.496 37.801 68.900 1.00 12.55 H new ATOM 1051 N GLU A 67 0.168 35.450 68.427 1.00 44.34 N ATOM 1052 CA GLU A 67 -0.314 34.434 67.498 1.00 50.04 C ATOM 1053 C GLU A 67 0.340 33.085 67.780 1.00 3.31 C ATOM 1054 O GLU A 67 -0.312 32.043 67.722 1.00 31.12 O ATOM 1055 CB GLU A 67 -0.034 34.858 66.055 1.00 24.12 C ATOM 1056 CG GLU A 67 -0.904 34.146 65.031 1.00 53.45 C ATOM 1057 CD GLU A 67 -0.094 33.325 64.047 1.00 70.00 C ATOM 1058 OE1 GLU A 67 0.820 32.598 64.492 1.00 64.51 O ATOM 1059 OE2 GLU A 67 -0.372 33.409 62.833 1.00 33.20 O ATOM 0 H GLU A 67 0.550 36.283 67.980 1.00 44.34 H new ATOM 0 HA GLU A 67 -1.390 34.332 67.637 1.00 50.04 H new ATOM 0 HB2 GLU A 67 -0.188 35.933 65.965 1.00 24.12 H new ATOM 0 HB3 GLU A 67 1.014 34.665 65.826 1.00 24.12 H new ATOM 0 HG2 GLU A 67 -1.608 33.495 65.548 1.00 53.45 H new ATOM 0 HG3 GLU A 67 -1.493 34.883 64.485 1.00 53.45 H new ATOM 1066 N ALA A 68 1.633 33.113 68.084 1.00 45.04 N ATOM 1067 CA ALA A 68 2.376 31.893 68.376 1.00 44.20 C ATOM 1068 C ALA A 68 2.207 31.483 69.834 1.00 12.30 C ATOM 1069 O ALA A 68 1.719 30.392 70.129 1.00 62.22 O ATOM 1070 CB ALA A 68 3.850 32.080 68.046 1.00 75.13 C ATOM 0 H ALA A 68 2.188 33.967 68.135 1.00 45.04 H new ATOM 0 HA ALA A 68 1.974 31.095 67.752 1.00 44.20 H new ATOM 0 HB1 ALA A 68 4.392 31.161 68.269 1.00 75.13 H new ATOM 0 HB2 ALA A 68 3.959 32.318 66.988 1.00 75.13 H new ATOM 0 HB3 ALA A 68 4.256 32.895 68.645 1.00 75.13 H new ATOM 1076 N GLN A 69 2.613 32.364 70.742 1.00 14.53 N ATOM 1077 CA GLN A 69 2.507 32.091 72.172 1.00 31.44 C ATOM 1078 C GLN A 69 1.068 31.764 72.557 1.00 73.13 C ATOM 1079 O GLN A 69 0.791 30.706 73.121 1.00 23.13 O ATOM 1080 CB GLN A 69 3.004 33.291 72.980 1.00 62.01 C ATOM 1081 CG GLN A 69 3.260 32.974 74.444 1.00 45.11 C ATOM 1082 CD GLN A 69 4.520 32.156 74.653 1.00 23.14 C ATOM 1083 OE1 GLN A 69 5.515 32.337 73.949 1.00 0.25 O ATOM 1084 NE2 GLN A 69 4.484 31.250 75.622 1.00 13.40 N ATOM 0 H GLN A 69 3.018 33.272 70.514 1.00 14.53 H new ATOM 0 HA GLN A 69 3.131 31.226 72.399 1.00 31.44 H new ATOM 0 HB2 GLN A 69 3.924 33.665 72.531 1.00 62.01 H new ATOM 0 HB3 GLN A 69 2.269 34.093 72.914 1.00 62.01 H new ATOM 0 HG2 GLN A 69 3.339 33.905 75.005 1.00 45.11 H new ATOM 0 HG3 GLN A 69 2.407 32.430 74.848 1.00 45.11 H new ATOM 0 HE21 GLN A 69 3.638 31.134 76.181 1.00 13.40 H new ATOM 0 HE22 GLN A 69 5.302 30.670 75.808 1.00 13.40 H new ATOM 1093 N TRP A 70 0.156 32.681 72.252 1.00 1.21 N ATOM 1094 CA TRP A 70 -1.254 32.490 72.568 1.00 35.45 C ATOM 1095 C TRP A 70 -1.804 31.248 71.875 1.00 12.32 C ATOM 1096 O TRP A 70 -2.798 30.670 72.316 1.00 0.33 O ATOM 1097 CB TRP A 70 -2.062 33.720 72.151 1.00 74.51 C ATOM 1098 CG TRP A 70 -3.301 33.924 72.971 1.00 45.43 C ATOM 1099 CD1 TRP A 70 -4.484 33.251 72.851 1.00 45.24 C ATOM 1100 CD2 TRP A 70 -3.478 34.865 74.036 1.00 4.03 C ATOM 1101 NE1 TRP A 70 -5.386 33.717 73.777 1.00 65.12 N ATOM 1102 CE2 TRP A 70 -4.793 34.706 74.516 1.00 75.34 C ATOM 1103 CE3 TRP A 70 -2.655 35.824 74.632 1.00 5.42 C ATOM 1104 CZ2 TRP A 70 -5.299 35.472 75.562 1.00 35.20 C ATOM 1105 CZ3 TRP A 70 -3.159 36.583 75.670 1.00 30.23 C ATOM 1106 CH2 TRP A 70 -4.471 36.404 76.126 1.00 54.34 C ATOM 0 H TRP A 70 0.368 33.563 71.787 1.00 1.21 H new ATOM 0 HA TRP A 70 -1.344 32.352 73.646 1.00 35.45 H new ATOM 0 HB2 TRP A 70 -1.431 34.605 72.233 1.00 74.51 H new ATOM 0 HB3 TRP A 70 -2.341 33.624 71.102 1.00 74.51 H new ATOM 0 HD1 TRP A 70 -4.681 32.468 72.134 1.00 45.24 H new ATOM 0 HE1 TRP A 70 -6.342 33.381 73.895 1.00 65.12 H new ATOM 0 HE3 TRP A 70 -1.642 35.969 74.287 1.00 5.42 H new ATOM 0 HZ2 TRP A 70 -6.310 35.336 75.916 1.00 35.20 H new ATOM 0 HZ3 TRP A 70 -2.531 37.327 76.138 1.00 30.23 H new ATOM 0 HH2 TRP A 70 -4.837 37.014 76.939 1.00 54.34 H new ATOM 1117 N ALA A 71 -1.152 30.842 70.792 1.00 64.24 N ATOM 1118 CA ALA A 71 -1.574 29.666 70.040 1.00 33.30 C ATOM 1119 C ALA A 71 -1.914 28.510 70.976 1.00 72.11 C ATOM 1120 O ALA A 71 -2.798 27.704 70.687 1.00 55.10 O ATOM 1121 CB ALA A 71 -0.491 29.251 69.057 1.00 64.13 C ATOM 0 H ALA A 71 -0.328 31.310 70.414 1.00 64.24 H new ATOM 0 HA ALA A 71 -2.474 29.925 69.482 1.00 33.30 H new ATOM 0 HB1 ALA A 71 -0.820 28.372 68.503 1.00 64.13 H new ATOM 0 HB2 ALA A 71 -0.299 30.068 68.361 1.00 64.13 H new ATOM 0 HB3 ALA A 71 0.424 29.015 69.601 1.00 64.13 H new ATOM 1127 N LYS A 72 -1.206 28.436 72.097 1.00 11.30 N ATOM 1128 CA LYS A 72 -1.431 27.379 73.075 1.00 54.31 C ATOM 1129 C LYS A 72 -2.877 27.388 73.564 1.00 62.21 C ATOM 1130 O LYS A 72 -3.490 26.335 73.736 1.00 62.31 O ATOM 1131 CB LYS A 72 -0.480 27.543 74.264 1.00 30.22 C ATOM 1132 CG LYS A 72 0.709 26.601 74.225 1.00 40.50 C ATOM 1133 CD LYS A 72 1.734 27.037 73.192 1.00 42.41 C ATOM 1134 CE LYS A 72 2.613 28.161 73.719 1.00 65.41 C ATOM 1135 NZ LYS A 72 4.059 27.887 73.495 1.00 42.02 N ATOM 0 H LYS A 72 -0.471 29.096 72.351 1.00 11.30 H new ATOM 0 HA LYS A 72 -1.235 26.423 72.589 1.00 54.31 H new ATOM 0 HB2 LYS A 72 -0.118 28.571 74.290 1.00 30.22 H new ATOM 0 HB3 LYS A 72 -1.034 27.377 75.188 1.00 30.22 H new ATOM 0 HG2 LYS A 72 1.177 26.563 75.209 1.00 40.50 H new ATOM 0 HG3 LYS A 72 0.367 25.592 73.996 1.00 40.50 H new ATOM 0 HD2 LYS A 72 2.357 26.187 72.914 1.00 42.41 H new ATOM 0 HD3 LYS A 72 1.223 27.367 72.287 1.00 42.41 H new ATOM 0 HE2 LYS A 72 2.340 29.095 73.228 1.00 65.41 H new ATOM 0 HE3 LYS A 72 2.430 28.296 74.785 1.00 65.41 H new ATOM 0 HZ1 LYS A 72 4.624 28.677 73.868 1.00 42.02 H new ATOM 0 HZ2 LYS A 72 4.326 27.009 73.984 1.00 42.02 H new ATOM 0 HZ3 LYS A 72 4.239 27.784 72.476 1.00 42.02 H new ATOM 1149 N GLN A 73 -3.415 28.584 73.782 1.00 73.14 N ATOM 1150 CA GLN A 73 -4.788 28.729 74.249 1.00 33.31 C ATOM 1151 C GLN A 73 -5.739 27.872 73.419 1.00 72.44 C ATOM 1152 O GLN A 73 -6.415 26.989 73.946 1.00 2.52 O ATOM 1153 CB GLN A 73 -5.218 30.197 74.187 1.00 3.12 C ATOM 1154 CG GLN A 73 -4.797 31.007 75.402 1.00 14.44 C ATOM 1155 CD GLN A 73 -5.962 31.337 76.314 1.00 32.02 C ATOM 1156 OE1 GLN A 73 -7.121 31.302 75.899 1.00 0.50 O ATOM 1157 NE2 GLN A 73 -5.660 31.660 77.566 1.00 73.12 N ATOM 0 H GLN A 73 -2.921 29.465 73.643 1.00 73.14 H new ATOM 0 HA GLN A 73 -4.831 28.389 75.284 1.00 33.31 H new ATOM 0 HB2 GLN A 73 -4.795 30.653 73.292 1.00 3.12 H new ATOM 0 HB3 GLN A 73 -6.302 30.245 74.087 1.00 3.12 H new ATOM 0 HG2 GLN A 73 -4.047 30.450 75.964 1.00 14.44 H new ATOM 0 HG3 GLN A 73 -4.325 31.932 75.072 1.00 14.44 H new ATOM 0 HE21 GLN A 73 -4.686 31.676 77.868 1.00 73.12 H new ATOM 0 HE22 GLN A 73 -6.402 31.892 78.226 1.00 73.12 H new ATOM 1166 N HIS A 74 -5.786 28.141 72.118 1.00 15.22 N ATOM 1167 CA HIS A 74 -6.655 27.394 71.215 1.00 52.04 C ATOM 1168 C HIS A 74 -5.904 26.993 69.948 1.00 11.21 C ATOM 1169 O HIS A 74 -5.888 25.823 69.569 1.00 30.12 O ATOM 1170 CB HIS A 74 -7.884 28.227 70.851 1.00 32.41 C ATOM 1171 CG HIS A 74 -9.047 28.011 71.770 1.00 65.45 C ATOM 1172 ND1 HIS A 74 -10.035 28.952 71.966 1.00 34.22 N ATOM 1173 CD2 HIS A 74 -9.377 26.954 72.547 1.00 43.32 C ATOM 1174 CE1 HIS A 74 -10.922 28.483 72.825 1.00 34.41 C ATOM 1175 NE2 HIS A 74 -10.546 27.272 73.193 1.00 31.31 N ATOM 0 H HIS A 74 -5.233 28.870 71.666 1.00 15.22 H new ATOM 0 HA HIS A 74 -6.979 26.488 71.727 1.00 52.04 H new ATOM 0 HB2 HIS A 74 -7.614 29.283 70.862 1.00 32.41 H new ATOM 0 HB3 HIS A 74 -8.187 27.987 69.832 1.00 32.41 H new ATOM 0 HD2 HIS A 74 -8.824 26.031 72.642 1.00 43.32 H new ATOM 0 HE1 HIS A 74 -11.805 29.002 73.168 1.00 34.41 H new ATOM 0 HE2 HIS A 74 -11.043 26.671 73.850 1.00 31.31 H new ATOM 1183 N GLY A 75 -5.284 27.973 69.298 1.00 12.21 N ATOM 1184 CA GLY A 75 -4.541 27.701 68.081 1.00 3.33 C ATOM 1185 C GLY A 75 -5.363 27.952 66.832 1.00 41.41 C ATOM 1186 O GLY A 75 -4.814 28.133 65.744 1.00 15.33 O ATOM 0 H GLY A 75 -5.283 28.950 69.592 1.00 12.21 H new ATOM 0 HA2 GLY A 75 -3.648 28.326 68.057 1.00 3.33 H new ATOM 0 HA3 GLY A 75 -4.204 26.664 68.088 1.00 3.33 H new ATOM 1190 N THR A 76 -6.683 27.962 66.986 1.00 53.51 N ATOM 1191 CA THR A 76 -7.583 28.190 65.862 1.00 51.23 C ATOM 1192 C THR A 76 -7.819 29.680 65.640 1.00 4.55 C ATOM 1193 O THR A 76 -7.632 30.205 64.543 1.00 63.34 O ATOM 1194 CB THR A 76 -8.939 27.493 66.078 1.00 24.34 C ATOM 1195 OG1 THR A 76 -9.985 28.469 66.152 1.00 3.02 O ATOM 1196 CG2 THR A 76 -8.924 26.661 67.351 1.00 14.31 C ATOM 0 H THR A 76 -7.153 27.815 67.879 1.00 53.51 H new ATOM 0 HA THR A 76 -7.102 27.766 64.981 1.00 51.23 H new ATOM 0 HB THR A 76 -9.120 26.830 65.232 1.00 24.34 H new ATOM 0 HG1 THR A 76 -10.844 28.018 66.288 1.00 3.02 H new ATOM 0 HG21 THR A 76 -9.893 26.179 67.482 1.00 14.31 H new ATOM 0 HG22 THR A 76 -8.147 25.900 67.279 1.00 14.31 H new ATOM 0 HG23 THR A 76 -8.722 27.307 68.205 1.00 14.31 H new ATOM 1204 N PRO A 77 -8.239 30.378 66.705 1.00 11.45 N ATOM 1205 CA PRO A 77 -8.508 31.818 66.652 1.00 53.21 C ATOM 1206 C PRO A 77 -7.235 32.641 66.492 1.00 65.02 C ATOM 1207 O PRO A 77 -7.245 33.745 65.949 1.00 53.15 O ATOM 1208 CB PRO A 77 -9.165 32.107 68.004 1.00 10.34 C ATOM 1209 CG PRO A 77 -8.659 31.035 68.907 1.00 55.23 C ATOM 1210 CD PRO A 77 -8.482 29.816 68.045 1.00 34.11 C ATOM 0 HA PRO A 77 -9.128 32.085 65.796 1.00 53.21 H new ATOM 0 HB2 PRO A 77 -8.894 33.096 68.373 1.00 10.34 H new ATOM 0 HB3 PRO A 77 -10.252 32.082 67.930 1.00 10.34 H new ATOM 0 HG2 PRO A 77 -7.716 31.327 69.369 1.00 55.23 H new ATOM 0 HG3 PRO A 77 -9.363 30.842 69.716 1.00 55.23 H new ATOM 0 HD2 PRO A 77 -7.645 29.204 68.382 1.00 34.11 H new ATOM 0 HD3 PRO A 77 -9.368 29.181 68.060 1.00 34.11 H new ATOM 1218 N PRO A 78 -6.110 32.092 66.975 1.00 4.01 N ATOM 1219 CA PRO A 78 -4.807 32.758 66.896 1.00 41.11 C ATOM 1220 C PRO A 78 -4.276 32.827 65.467 1.00 14.03 C ATOM 1221 O PRO A 78 -3.685 31.870 64.966 1.00 52.41 O ATOM 1222 CB PRO A 78 -3.904 31.874 67.759 1.00 44.43 C ATOM 1223 CG PRO A 78 -4.543 30.529 67.724 1.00 30.44 C ATOM 1224 CD PRO A 78 -6.024 30.778 67.635 1.00 61.40 C ATOM 0 HA PRO A 78 -4.858 33.794 67.230 1.00 41.11 H new ATOM 0 HB2 PRO A 78 -2.889 31.840 67.364 1.00 44.43 H new ATOM 0 HB3 PRO A 78 -3.836 32.254 68.779 1.00 44.43 H new ATOM 0 HG2 PRO A 78 -4.192 29.952 66.869 1.00 30.44 H new ATOM 0 HG3 PRO A 78 -4.296 29.956 68.618 1.00 30.44 H new ATOM 0 HD2 PRO A 78 -6.528 30.004 67.056 1.00 61.40 H new ATOM 0 HD3 PRO A 78 -6.489 30.792 68.621 1.00 61.40 H new ATOM 1232 N THR A 79 -4.492 33.965 64.815 1.00 42.12 N ATOM 1233 CA THR A 79 -4.036 34.158 63.445 1.00 22.42 C ATOM 1234 C THR A 79 -4.085 35.630 63.052 1.00 33.41 C ATOM 1235 O THR A 79 -4.871 36.403 63.598 1.00 14.11 O ATOM 1236 CB THR A 79 -4.887 33.345 62.451 1.00 24.40 C ATOM 1237 OG1 THR A 79 -4.894 31.964 62.827 1.00 51.12 O ATOM 1238 CG2 THR A 79 -4.347 33.487 61.035 1.00 41.45 C ATOM 0 H THR A 79 -4.980 34.767 65.214 1.00 42.12 H new ATOM 0 HA THR A 79 -3.005 33.807 63.402 1.00 22.42 H new ATOM 0 HB THR A 79 -5.905 33.733 62.476 1.00 24.40 H new ATOM 0 HG1 THR A 79 -4.074 31.755 63.321 1.00 51.12 H new ATOM 0 HG21 THR A 79 -4.963 32.904 60.350 1.00 41.45 H new ATOM 0 HG22 THR A 79 -4.370 34.536 60.740 1.00 41.45 H new ATOM 0 HG23 THR A 79 -3.321 33.122 60.999 1.00 41.45 H new ATOM 1246 N ALA A 80 -3.241 36.012 62.099 1.00 63.03 N ATOM 1247 CA ALA A 80 -3.189 37.392 61.630 1.00 14.42 C ATOM 1248 C ALA A 80 -4.590 37.983 61.512 1.00 31.42 C ATOM 1249 O ALA A 80 -4.766 39.201 61.553 1.00 15.41 O ATOM 1250 CB ALA A 80 -2.466 37.469 60.295 1.00 31.23 C ATOM 0 H ALA A 80 -2.583 35.385 61.636 1.00 63.03 H new ATOM 0 HA ALA A 80 -2.636 37.979 62.363 1.00 14.42 H new ATOM 0 HB1 ALA A 80 -2.435 38.505 59.957 1.00 31.23 H new ATOM 0 HB2 ALA A 80 -1.449 37.094 60.410 1.00 31.23 H new ATOM 0 HB3 ALA A 80 -2.995 36.863 59.559 1.00 31.23 H new ATOM 1256 N SER A 81 -5.585 37.114 61.363 1.00 4.50 N ATOM 1257 CA SER A 81 -6.969 37.550 61.233 1.00 12.43 C ATOM 1258 C SER A 81 -7.495 38.092 62.559 1.00 63.42 C ATOM 1259 O SER A 81 -8.084 39.171 62.611 1.00 35.15 O ATOM 1260 CB SER A 81 -7.848 36.392 60.758 1.00 33.44 C ATOM 1261 OG SER A 81 -8.592 36.755 59.607 1.00 60.22 O ATOM 0 H SER A 81 -5.457 36.103 61.329 1.00 4.50 H new ATOM 0 HA SER A 81 -7.004 38.350 60.494 1.00 12.43 H new ATOM 0 HB2 SER A 81 -7.225 35.526 60.534 1.00 33.44 H new ATOM 0 HB3 SER A 81 -8.529 36.097 61.557 1.00 33.44 H new ATOM 0 HG SER A 81 -9.144 35.997 59.322 1.00 60.22 H new ATOM 1267 N ASP A 82 -7.275 37.335 63.628 1.00 13.14 N ATOM 1268 CA ASP A 82 -7.726 37.738 64.955 1.00 12.31 C ATOM 1269 C ASP A 82 -6.676 38.604 65.646 1.00 24.44 C ATOM 1270 O ASP A 82 -7.002 39.615 66.268 1.00 73.02 O ATOM 1271 CB ASP A 82 -8.030 36.507 65.810 1.00 3.42 C ATOM 1272 CG ASP A 82 -9.058 35.596 65.167 1.00 53.51 C ATOM 1273 OD1 ASP A 82 -9.115 35.553 63.921 1.00 35.04 O ATOM 1274 OD2 ASP A 82 -9.803 34.926 65.912 1.00 20.34 O ATOM 0 H ASP A 82 -6.787 36.439 63.602 1.00 13.14 H new ATOM 0 HA ASP A 82 -8.637 38.325 64.839 1.00 12.31 H new ATOM 0 HB2 ASP A 82 -7.109 35.949 65.979 1.00 3.42 H new ATOM 0 HB3 ASP A 82 -8.393 36.827 66.787 1.00 3.42 H new ATOM 1279 N VAL A 83 -5.415 38.201 65.530 1.00 54.42 N ATOM 1280 CA VAL A 83 -4.317 38.940 66.142 1.00 10.01 C ATOM 1281 C VAL A 83 -4.460 40.438 65.900 1.00 24.24 C ATOM 1282 O VAL A 83 -3.923 41.253 66.648 1.00 61.14 O ATOM 1283 CB VAL A 83 -2.954 38.470 65.600 1.00 74.34 C ATOM 1284 CG1 VAL A 83 -1.828 39.302 66.196 1.00 62.35 C ATOM 1285 CG2 VAL A 83 -2.746 36.993 65.890 1.00 1.45 C ATOM 0 H VAL A 83 -5.128 37.367 65.018 1.00 54.42 H new ATOM 0 HA VAL A 83 -4.361 38.743 67.213 1.00 10.01 H new ATOM 0 HB VAL A 83 -2.945 38.609 64.519 1.00 74.34 H new ATOM 0 HG11 VAL A 83 -0.872 38.956 65.802 1.00 62.35 H new ATOM 0 HG12 VAL A 83 -1.971 40.350 65.933 1.00 62.35 H new ATOM 0 HG13 VAL A 83 -1.833 39.197 67.281 1.00 62.35 H new ATOM 0 HG21 VAL A 83 -1.778 36.678 65.500 1.00 1.45 H new ATOM 0 HG22 VAL A 83 -2.775 36.826 66.967 1.00 1.45 H new ATOM 0 HG23 VAL A 83 -3.536 36.414 65.412 1.00 1.45 H new ATOM 1295 N VAL A 84 -5.190 40.794 64.847 1.00 2.11 N ATOM 1296 CA VAL A 84 -5.405 42.196 64.505 1.00 1.45 C ATOM 1297 C VAL A 84 -5.934 42.977 65.701 1.00 54.10 C ATOM 1298 O VAL A 84 -5.621 44.155 65.874 1.00 11.02 O ATOM 1299 CB VAL A 84 -6.394 42.341 63.332 1.00 42.33 C ATOM 1300 CG1 VAL A 84 -5.906 41.558 62.122 1.00 74.21 C ATOM 1301 CG2 VAL A 84 -7.784 41.884 63.749 1.00 22.24 C ATOM 0 H VAL A 84 -5.642 40.132 64.217 1.00 2.11 H new ATOM 0 HA VAL A 84 -4.438 42.603 64.208 1.00 1.45 H new ATOM 0 HB VAL A 84 -6.451 43.393 63.054 1.00 42.33 H new ATOM 0 HG11 VAL A 84 -6.617 41.672 61.304 1.00 74.21 H new ATOM 0 HG12 VAL A 84 -4.932 41.937 61.812 1.00 74.21 H new ATOM 0 HG13 VAL A 84 -5.819 40.503 62.382 1.00 74.21 H new ATOM 0 HG21 VAL A 84 -8.470 41.993 62.909 1.00 22.24 H new ATOM 0 HG22 VAL A 84 -7.747 40.838 64.054 1.00 22.24 H new ATOM 0 HG23 VAL A 84 -8.132 42.493 64.583 1.00 22.24 H new ATOM 1311 N GLY A 85 -6.739 42.314 66.527 1.00 21.51 N ATOM 1312 CA GLY A 85 -7.299 42.964 67.698 1.00 24.04 C ATOM 1313 C GLY A 85 -7.344 42.045 68.904 1.00 23.30 C ATOM 1314 O GLY A 85 -7.825 42.432 69.968 1.00 34.45 O ATOM 0 H GLY A 85 -7.013 41.339 66.406 1.00 21.51 H new ATOM 0 HA2 GLY A 85 -6.706 43.846 67.939 1.00 24.04 H new ATOM 0 HA3 GLY A 85 -8.307 43.310 67.471 1.00 24.04 H new ATOM 1318 N MET A 86 -6.843 40.827 68.736 1.00 23.14 N ATOM 1319 CA MET A 86 -6.829 39.851 69.819 1.00 51.22 C ATOM 1320 C MET A 86 -5.928 40.318 70.959 1.00 12.25 C ATOM 1321 O MET A 86 -6.309 40.299 72.130 1.00 51.03 O ATOM 1322 CB MET A 86 -6.355 38.490 69.304 1.00 64.31 C ATOM 1323 CG MET A 86 -6.899 37.315 70.100 1.00 53.31 C ATOM 1324 SD MET A 86 -5.632 36.502 71.092 1.00 44.51 S ATOM 1325 CE MET A 86 -5.356 35.013 70.134 1.00 21.13 C ATOM 0 H MET A 86 -6.441 40.492 67.861 1.00 23.14 H new ATOM 0 HA MET A 86 -7.846 39.753 70.199 1.00 51.22 H new ATOM 0 HB2 MET A 86 -6.654 38.381 68.261 1.00 64.31 H new ATOM 0 HB3 MET A 86 -5.266 38.461 69.328 1.00 64.31 H new ATOM 0 HG2 MET A 86 -7.699 37.663 70.754 1.00 53.31 H new ATOM 0 HG3 MET A 86 -7.340 36.590 69.415 1.00 53.31 H new ATOM 0 HE1 MET A 86 -4.340 34.655 70.302 1.00 21.13 H new ATOM 0 HE2 MET A 86 -6.067 34.246 70.441 1.00 21.13 H new ATOM 0 HE3 MET A 86 -5.493 35.231 69.075 1.00 21.13 H new ATOM 1335 N PRO A 87 -4.706 40.745 70.612 1.00 4.31 N ATOM 1336 CA PRO A 87 -3.726 41.223 71.592 1.00 75.43 C ATOM 1337 C PRO A 87 -4.127 42.561 72.205 1.00 64.34 C ATOM 1338 O PRO A 87 -5.174 43.116 71.874 1.00 73.32 O ATOM 1339 CB PRO A 87 -2.445 41.376 70.768 1.00 1.34 C ATOM 1340 CG PRO A 87 -2.916 41.589 69.371 1.00 20.13 C ATOM 1341 CD PRO A 87 -4.185 40.793 69.235 1.00 71.11 C ATOM 0 HA PRO A 87 -3.627 40.540 72.436 1.00 75.43 H new ATOM 0 HB2 PRO A 87 -1.848 42.218 71.117 1.00 1.34 H new ATOM 0 HB3 PRO A 87 -1.818 40.488 70.843 1.00 1.34 H new ATOM 0 HG2 PRO A 87 -3.096 42.646 69.177 1.00 20.13 H new ATOM 0 HG3 PRO A 87 -2.168 41.256 68.652 1.00 20.13 H new ATOM 0 HD2 PRO A 87 -4.889 41.272 68.555 1.00 71.11 H new ATOM 0 HD3 PRO A 87 -3.993 39.794 68.843 1.00 71.11 H new ATOM 1349 N GLN A 88 -3.287 43.073 73.098 1.00 3.40 N ATOM 1350 CA GLN A 88 -3.555 44.346 73.757 1.00 44.15 C ATOM 1351 C GLN A 88 -3.105 45.515 72.887 1.00 22.45 C ATOM 1352 O GLN A 88 -3.731 46.575 72.882 1.00 52.23 O ATOM 1353 CB GLN A 88 -2.847 44.402 75.112 1.00 30.12 C ATOM 1354 CG GLN A 88 -1.335 44.276 75.014 1.00 12.31 C ATOM 1355 CD GLN A 88 -0.718 43.671 76.260 1.00 24.12 C ATOM 1356 OE1 GLN A 88 -1.170 43.926 77.377 1.00 5.55 O ATOM 1357 NE2 GLN A 88 0.319 42.864 76.074 1.00 4.40 N ATOM 0 H GLN A 88 -2.415 42.626 73.382 1.00 3.40 H new ATOM 0 HA GLN A 88 -4.631 44.426 73.913 1.00 44.15 H new ATOM 0 HB2 GLN A 88 -3.094 45.343 75.603 1.00 30.12 H new ATOM 0 HB3 GLN A 88 -3.230 43.602 75.746 1.00 30.12 H new ATOM 0 HG2 GLN A 88 -1.081 43.660 74.151 1.00 12.31 H new ATOM 0 HG3 GLN A 88 -0.903 45.261 74.841 1.00 12.31 H new ATOM 0 HE21 GLN A 88 0.660 42.681 75.130 1.00 4.40 H new ATOM 0 HE22 GLN A 88 0.775 42.427 76.875 1.00 4.40 H new ATOM 1366 N TRP A 89 -2.018 45.314 72.151 1.00 42.42 N ATOM 1367 CA TRP A 89 -1.485 46.352 71.276 1.00 42.24 C ATOM 1368 C TRP A 89 -2.607 47.067 70.531 1.00 14.22 C ATOM 1369 O TRP A 89 -2.557 48.280 70.333 1.00 4.04 O ATOM 1370 CB TRP A 89 -0.497 45.748 70.277 1.00 23.33 C ATOM 1371 CG TRP A 89 -1.125 45.388 68.964 1.00 54.52 C ATOM 1372 CD1 TRP A 89 -1.420 44.134 68.514 1.00 10.34 C ATOM 1373 CD2 TRP A 89 -1.533 46.294 67.933 1.00 0.13 C ATOM 1374 NE1 TRP A 89 -1.987 44.204 67.264 1.00 3.54 N ATOM 1375 CE2 TRP A 89 -2.068 45.518 66.886 1.00 14.01 C ATOM 1376 CE3 TRP A 89 -1.501 47.683 67.793 1.00 43.44 C ATOM 1377 CZ2 TRP A 89 -2.564 46.087 65.716 1.00 73.45 C ATOM 1378 CZ3 TRP A 89 -1.993 48.248 66.631 1.00 14.25 C ATOM 1379 CH2 TRP A 89 -2.520 47.451 65.606 1.00 14.13 C ATOM 0 H TRP A 89 -1.489 44.442 72.143 1.00 42.42 H new ATOM 0 HA TRP A 89 -0.964 47.082 71.896 1.00 42.24 H new ATOM 0 HB2 TRP A 89 0.312 46.458 70.102 1.00 23.33 H new ATOM 0 HB3 TRP A 89 -0.049 44.856 70.714 1.00 23.33 H new ATOM 0 HD1 TRP A 89 -1.235 43.221 69.060 1.00 10.34 H new ATOM 0 HE1 TRP A 89 -2.297 43.407 66.708 1.00 3.54 H new ATOM 0 HE3 TRP A 89 -1.099 48.305 68.579 1.00 43.44 H new ATOM 0 HZ2 TRP A 89 -2.969 45.475 64.924 1.00 73.45 H new ATOM 0 HZ3 TRP A 89 -1.971 49.321 66.511 1.00 14.25 H new ATOM 0 HH2 TRP A 89 -2.899 47.922 64.711 1.00 14.13 H new ATOM 1390 N GLN A 90 -3.618 46.306 70.123 1.00 74.33 N ATOM 1391 CA GLN A 90 -4.753 46.869 69.400 1.00 44.41 C ATOM 1392 C GLN A 90 -5.497 47.883 70.260 1.00 73.14 C ATOM 1393 O GLN A 90 -5.792 48.992 69.813 1.00 52.34 O ATOM 1394 CB GLN A 90 -5.706 45.756 68.962 1.00 33.44 C ATOM 1395 CG GLN A 90 -7.025 46.270 68.407 1.00 32.24 C ATOM 1396 CD GLN A 90 -8.214 45.855 69.252 1.00 2.25 C ATOM 1397 OE1 GLN A 90 -8.074 45.096 70.211 1.00 31.03 O ATOM 1398 NE2 GLN A 90 -9.394 46.350 68.897 1.00 12.10 N ATOM 0 H GLN A 90 -3.674 45.300 70.280 1.00 74.33 H new ATOM 0 HA GLN A 90 -4.372 47.381 68.516 1.00 44.41 H new ATOM 0 HB2 GLN A 90 -5.215 45.146 68.204 1.00 33.44 H new ATOM 0 HB3 GLN A 90 -5.908 45.106 69.813 1.00 33.44 H new ATOM 0 HG2 GLN A 90 -6.990 47.358 68.345 1.00 32.24 H new ATOM 0 HG3 GLN A 90 -7.158 45.897 67.391 1.00 32.24 H new ATOM 0 HE21 GLN A 90 -9.464 46.976 68.095 1.00 12.10 H new ATOM 0 HE22 GLN A 90 -10.230 46.104 69.427 1.00 12.10 H new ATOM 1407 N GLU A 91 -5.799 47.497 71.496 1.00 3.31 N ATOM 1408 CA GLU A 91 -6.511 48.374 72.418 1.00 45.15 C ATOM 1409 C GLU A 91 -5.622 49.533 72.862 1.00 13.41 C ATOM 1410 O GLU A 91 -6.062 50.681 72.917 1.00 24.20 O ATOM 1411 CB GLU A 91 -6.990 47.587 73.640 1.00 23.01 C ATOM 1412 CG GLU A 91 -8.500 47.435 73.712 1.00 61.52 C ATOM 1413 CD GLU A 91 -8.949 46.643 74.925 1.00 64.21 C ATOM 1414 OE1 GLU A 91 -8.431 45.526 75.129 1.00 25.03 O ATOM 1415 OE2 GLU A 91 -9.819 47.142 75.669 1.00 45.35 O ATOM 0 H GLU A 91 -5.562 46.583 71.882 1.00 3.31 H new ATOM 0 HA GLU A 91 -7.377 48.781 71.896 1.00 45.15 H new ATOM 0 HB2 GLU A 91 -6.534 46.597 73.626 1.00 23.01 H new ATOM 0 HB3 GLU A 91 -6.640 48.086 74.543 1.00 23.01 H new ATOM 0 HG2 GLU A 91 -8.960 48.423 73.737 1.00 61.52 H new ATOM 0 HG3 GLU A 91 -8.855 46.941 72.808 1.00 61.52 H new ATOM 1422 N TYR A 92 -4.370 49.222 73.180 1.00 1.11 N ATOM 1423 CA TYR A 92 -3.420 50.235 73.622 1.00 13.00 C ATOM 1424 C TYR A 92 -3.192 51.281 72.534 1.00 43.51 C ATOM 1425 O TYR A 92 -3.402 52.475 72.749 1.00 53.21 O ATOM 1426 CB TYR A 92 -2.090 49.585 74.006 1.00 42.30 C ATOM 1427 CG TYR A 92 -1.915 49.396 75.496 1.00 34.30 C ATOM 1428 CD1 TYR A 92 -2.899 48.779 76.259 1.00 33.13 C ATOM 1429 CD2 TYR A 92 -0.766 49.837 76.141 1.00 15.23 C ATOM 1430 CE1 TYR A 92 -2.744 48.606 77.620 1.00 32.44 C ATOM 1431 CE2 TYR A 92 -0.602 49.667 77.503 1.00 22.34 C ATOM 1432 CZ TYR A 92 -1.594 49.051 78.238 1.00 33.22 C ATOM 1433 OH TYR A 92 -1.435 48.879 79.594 1.00 71.51 O ATOM 0 H TYR A 92 -3.990 48.276 73.140 1.00 1.11 H new ATOM 0 HA TYR A 92 -3.840 50.732 74.497 1.00 13.00 H new ATOM 0 HB2 TYR A 92 -2.014 48.615 73.514 1.00 42.30 H new ATOM 0 HB3 TYR A 92 -1.273 50.199 73.628 1.00 42.30 H new ATOM 0 HD1 TYR A 92 -3.801 48.429 75.779 1.00 33.13 H new ATOM 0 HD2 TYR A 92 0.012 50.321 75.569 1.00 15.23 H new ATOM 0 HE1 TYR A 92 -3.519 48.125 78.198 1.00 32.44 H new ATOM 0 HE2 TYR A 92 0.298 50.014 77.989 1.00 22.34 H new ATOM 0 HH TYR A 92 -0.570 49.247 79.871 1.00 71.51 H new ATOM 1443 N THR A 93 -2.760 50.822 71.363 1.00 35.15 N ATOM 1444 CA THR A 93 -2.503 51.716 70.241 1.00 2.10 C ATOM 1445 C THR A 93 -3.642 52.713 70.059 1.00 3.43 C ATOM 1446 O THR A 93 -3.455 53.783 69.482 1.00 23.25 O ATOM 1447 CB THR A 93 -2.310 50.930 68.930 1.00 14.53 C ATOM 1448 OG1 THR A 93 -1.839 51.805 67.899 1.00 31.23 O ATOM 1449 CG2 THR A 93 -3.613 50.277 68.493 1.00 75.33 C ATOM 0 H THR A 93 -2.581 49.837 71.168 1.00 35.15 H new ATOM 0 HA THR A 93 -1.585 52.256 70.472 1.00 2.10 H new ATOM 0 HB THR A 93 -1.572 50.148 69.107 1.00 14.53 H new ATOM 0 HG1 THR A 93 -0.958 52.157 68.146 1.00 31.23 H new ATOM 0 HG21 THR A 93 -3.452 49.728 67.565 1.00 75.33 H new ATOM 0 HG22 THR A 93 -3.953 49.589 69.267 1.00 75.33 H new ATOM 0 HG23 THR A 93 -4.369 51.045 68.333 1.00 75.33 H new ATOM 1457 N ALA A 94 -4.821 52.354 70.557 1.00 71.22 N ATOM 1458 CA ALA A 94 -5.989 53.220 70.452 1.00 4.34 C ATOM 1459 C ALA A 94 -5.952 54.323 71.504 1.00 23.41 C ATOM 1460 O ALA A 94 -6.284 55.473 71.221 1.00 74.01 O ATOM 1461 CB ALA A 94 -7.265 52.401 70.587 1.00 74.34 C ATOM 0 H ALA A 94 -4.992 51.470 71.037 1.00 71.22 H new ATOM 0 HA ALA A 94 -5.974 53.692 69.470 1.00 4.34 H new ATOM 0 HB1 ALA A 94 -8.130 53.059 70.507 1.00 74.34 H new ATOM 0 HB2 ALA A 94 -7.303 51.654 69.795 1.00 74.34 H new ATOM 0 HB3 ALA A 94 -7.277 51.903 71.556 1.00 74.34 H new ATOM 1467 N MET A 95 -5.545 53.964 72.717 1.00 24.44 N ATOM 1468 CA MET A 95 -5.464 54.925 73.810 1.00 55.03 C ATOM 1469 C MET A 95 -4.507 56.061 73.465 1.00 53.55 C ATOM 1470 O MET A 95 -4.601 57.157 74.022 1.00 4.00 O ATOM 1471 CB MET A 95 -5.009 54.231 75.095 1.00 54.03 C ATOM 1472 CG MET A 95 -5.532 54.892 76.361 1.00 44.43 C ATOM 1473 SD MET A 95 -4.210 55.542 77.401 1.00 34.22 S ATOM 1474 CE MET A 95 -5.155 56.238 78.754 1.00 61.34 C ATOM 0 H MET A 95 -5.266 53.015 72.967 1.00 24.44 H new ATOM 0 HA MET A 95 -6.458 55.346 73.965 1.00 55.03 H new ATOM 0 HB2 MET A 95 -5.340 53.193 75.074 1.00 54.03 H new ATOM 0 HB3 MET A 95 -3.919 54.218 75.125 1.00 54.03 H new ATOM 0 HG2 MET A 95 -6.208 55.703 76.090 1.00 44.43 H new ATOM 0 HG3 MET A 95 -6.115 54.168 76.931 1.00 44.43 H new ATOM 0 HE1 MET A 95 -4.672 57.150 79.104 1.00 61.34 H new ATOM 0 HE2 MET A 95 -6.164 56.470 78.412 1.00 61.34 H new ATOM 0 HE3 MET A 95 -5.206 55.518 79.571 1.00 61.34 H new ATOM 1484 N LEU A 96 -3.584 55.794 72.548 1.00 24.02 N ATOM 1485 CA LEU A 96 -2.608 56.794 72.130 1.00 12.14 C ATOM 1486 C LEU A 96 -3.251 57.835 71.219 1.00 2.01 C ATOM 1487 O LEU A 96 -3.197 59.033 71.494 1.00 20.32 O ATOM 1488 CB LEU A 96 -1.438 56.123 71.409 1.00 51.12 C ATOM 1489 CG LEU A 96 -1.026 54.747 71.935 1.00 52.11 C ATOM 1490 CD1 LEU A 96 0.106 54.173 71.097 1.00 12.43 C ATOM 1491 CD2 LEU A 96 -0.617 54.835 73.399 1.00 22.31 C ATOM 0 H LEU A 96 -3.491 54.893 72.079 1.00 24.02 H new ATOM 0 HA LEU A 96 -2.236 57.298 73.022 1.00 12.14 H new ATOM 0 HB2 LEU A 96 -1.695 56.025 70.354 1.00 51.12 H new ATOM 0 HB3 LEU A 96 -0.574 56.785 71.466 1.00 51.12 H new ATOM 0 HG LEU A 96 -1.883 54.078 71.858 1.00 52.11 H new ATOM 0 HD11 LEU A 96 0.386 53.194 71.486 1.00 12.43 H new ATOM 0 HD12 LEU A 96 -0.222 54.072 70.062 1.00 12.43 H new ATOM 0 HD13 LEU A 96 0.966 54.841 71.142 1.00 12.43 H new ATOM 0 HD21 LEU A 96 -0.327 53.847 73.756 1.00 22.31 H new ATOM 0 HD22 LEU A 96 0.225 55.519 73.501 1.00 22.31 H new ATOM 0 HD23 LEU A 96 -1.456 55.202 73.990 1.00 22.31 H new ATOM 1503 N ARG A 97 -3.861 57.368 70.134 1.00 61.31 N ATOM 1504 CA ARG A 97 -4.516 58.258 69.183 1.00 70.50 C ATOM 1505 C ARG A 97 -5.845 58.762 69.737 1.00 62.11 C ATOM 1506 O ARG A 97 -6.362 59.789 69.296 1.00 43.22 O ATOM 1507 CB ARG A 97 -4.745 57.538 67.852 1.00 74.12 C ATOM 1508 CG ARG A 97 -5.523 56.239 67.989 1.00 35.34 C ATOM 1509 CD ARG A 97 -4.905 55.128 67.155 1.00 72.43 C ATOM 1510 NE ARG A 97 -5.439 55.104 65.795 1.00 34.25 N ATOM 1511 CZ ARG A 97 -4.852 55.699 64.764 1.00 63.55 C ATOM 1512 NH1 ARG A 97 -3.717 56.362 64.935 1.00 30.31 N ATOM 1513 NH2 ARG A 97 -5.400 55.631 63.557 1.00 52.04 N ATOM 0 H ARG A 97 -3.915 56.379 69.892 1.00 61.31 H new ATOM 0 HA ARG A 97 -3.863 59.115 69.017 1.00 70.50 H new ATOM 0 HB2 ARG A 97 -5.282 58.204 67.176 1.00 74.12 H new ATOM 0 HB3 ARG A 97 -3.780 57.327 67.392 1.00 74.12 H new ATOM 0 HG2 ARG A 97 -5.549 55.938 69.036 1.00 35.34 H new ATOM 0 HG3 ARG A 97 -6.555 56.398 67.678 1.00 35.34 H new ATOM 0 HD2 ARG A 97 -3.824 55.261 67.118 1.00 72.43 H new ATOM 0 HD3 ARG A 97 -5.092 54.167 67.635 1.00 72.43 H new ATOM 0 HE ARG A 97 -6.311 54.602 65.629 1.00 34.25 H new ATOM 0 HH11 ARG A 97 -3.292 56.416 65.861 1.00 30.31 H new ATOM 0 HH12 ARG A 97 -3.268 56.818 64.141 1.00 30.31 H new ATOM 0 HH21 ARG A 97 -6.273 55.121 63.421 1.00 52.04 H new ATOM 0 HH22 ARG A 97 -4.948 56.089 62.765 1.00 52.04 H new ATOM 1527 N GLU A 98 -6.393 58.033 70.704 1.00 61.01 N ATOM 1528 CA GLU A 98 -7.662 58.406 71.316 1.00 21.54 C ATOM 1529 C GLU A 98 -7.446 59.397 72.455 1.00 73.24 C ATOM 1530 O GLU A 98 -8.082 60.452 72.504 1.00 45.54 O ATOM 1531 CB GLU A 98 -8.388 57.164 71.837 1.00 60.44 C ATOM 1532 CG GLU A 98 -9.660 57.479 72.606 1.00 74.45 C ATOM 1533 CD GLU A 98 -10.772 57.987 71.709 1.00 34.05 C ATOM 1534 OE1 GLU A 98 -11.078 57.312 70.704 1.00 23.42 O ATOM 1535 OE2 GLU A 98 -11.338 59.058 72.013 1.00 34.24 O ATOM 0 H GLU A 98 -5.978 57.181 71.080 1.00 61.01 H new ATOM 0 HA GLU A 98 -8.277 58.884 70.553 1.00 21.54 H new ATOM 0 HB2 GLU A 98 -8.634 56.517 70.995 1.00 60.44 H new ATOM 0 HB3 GLU A 98 -7.713 56.603 72.483 1.00 60.44 H new ATOM 0 HG2 GLU A 98 -9.998 56.582 73.125 1.00 74.45 H new ATOM 0 HG3 GLU A 98 -9.443 58.227 73.369 1.00 74.45 H new ATOM 1542 N ARG A 99 -6.546 59.052 73.371 1.00 25.42 N ATOM 1543 CA ARG A 99 -6.247 59.910 74.510 1.00 12.13 C ATOM 1544 C ARG A 99 -5.088 60.850 74.194 1.00 1.32 C ATOM 1545 O ARG A 99 -5.139 62.041 74.501 1.00 34.32 O ATOM 1546 CB ARG A 99 -5.910 59.062 75.739 1.00 62.11 C ATOM 1547 CG ARG A 99 -6.805 59.340 76.935 1.00 3.43 C ATOM 1548 CD ARG A 99 -6.711 60.792 77.376 1.00 13.41 C ATOM 1549 NE ARG A 99 -6.683 60.921 78.831 1.00 4.01 N ATOM 1550 CZ ARG A 99 -6.998 62.038 79.475 1.00 53.15 C ATOM 1551 NH1 ARG A 99 -7.363 63.118 78.797 1.00 52.52 N ATOM 1552 NH2 ARG A 99 -6.947 62.078 80.800 1.00 73.32 N ATOM 0 H ARG A 99 -6.011 58.184 73.346 1.00 25.42 H new ATOM 0 HA ARG A 99 -7.131 60.511 74.722 1.00 12.13 H new ATOM 0 HB2 ARG A 99 -5.988 58.007 75.475 1.00 62.11 H new ATOM 0 HB3 ARG A 99 -4.873 59.244 76.022 1.00 62.11 H new ATOM 0 HG2 ARG A 99 -7.838 59.102 76.681 1.00 3.43 H new ATOM 0 HG3 ARG A 99 -6.522 58.689 77.762 1.00 3.43 H new ATOM 0 HD2 ARG A 99 -5.812 61.241 76.955 1.00 13.41 H new ATOM 0 HD3 ARG A 99 -7.561 61.347 76.979 1.00 13.41 H new ATOM 0 HE ARG A 99 -6.406 60.108 79.382 1.00 4.01 H new ATOM 0 HH11 ARG A 99 -7.402 63.091 77.778 1.00 52.52 H new ATOM 0 HH12 ARG A 99 -7.605 63.975 79.295 1.00 52.52 H new ATOM 0 HH21 ARG A 99 -6.665 61.250 81.325 1.00 73.32 H new ATOM 0 HH22 ARG A 99 -7.189 62.937 81.294 1.00 73.32 H new ATOM 1566 N PHE A 100 -4.043 60.306 73.578 1.00 74.40 N ATOM 1567 CA PHE A 100 -2.870 61.097 73.222 1.00 64.01 C ATOM 1568 C PHE A 100 -2.424 61.967 74.392 1.00 54.41 C ATOM 1569 O PHE A 100 -1.905 63.066 74.201 1.00 23.02 O ATOM 1570 CB PHE A 100 -3.170 61.974 72.005 1.00 35.22 C ATOM 1571 CG PHE A 100 -4.367 62.863 72.188 1.00 31.34 C ATOM 1572 CD1 PHE A 100 -5.641 62.404 71.889 1.00 44.23 C ATOM 1573 CD2 PHE A 100 -4.220 64.158 72.660 1.00 22.11 C ATOM 1574 CE1 PHE A 100 -6.744 63.219 72.056 1.00 73.53 C ATOM 1575 CE2 PHE A 100 -5.320 64.977 72.830 1.00 4.01 C ATOM 1576 CZ PHE A 100 -6.583 64.508 72.526 1.00 73.24 C ATOM 0 H PHE A 100 -3.984 59.322 73.315 1.00 74.40 H new ATOM 0 HA PHE A 100 -2.061 60.409 72.975 1.00 64.01 H new ATOM 0 HB2 PHE A 100 -2.298 62.592 71.788 1.00 35.22 H new ATOM 0 HB3 PHE A 100 -3.331 61.335 71.137 1.00 35.22 H new ATOM 0 HD1 PHE A 100 -5.773 61.397 71.521 1.00 44.23 H new ATOM 0 HD2 PHE A 100 -3.235 64.531 72.898 1.00 22.11 H new ATOM 0 HE1 PHE A 100 -7.731 62.849 71.819 1.00 73.53 H new ATOM 0 HE2 PHE A 100 -5.192 65.983 73.200 1.00 4.01 H new ATOM 0 HZ PHE A 100 -7.443 65.148 72.656 1.00 73.24 H new ATOM 1586 N ALA A 101 -2.631 61.467 75.607 1.00 64.11 N ATOM 1587 CA ALA A 101 -2.249 62.197 76.809 1.00 22.23 C ATOM 1588 C ALA A 101 -1.004 61.590 77.447 1.00 13.10 C ATOM 1589 O ALA A 101 -1.076 60.558 78.114 1.00 64.31 O ATOM 1590 CB ALA A 101 -3.400 62.214 77.803 1.00 14.44 C ATOM 0 H ALA A 101 -3.061 60.559 75.784 1.00 64.11 H new ATOM 0 HA ALA A 101 -2.015 63.223 76.524 1.00 22.23 H new ATOM 0 HB1 ALA A 101 -3.101 62.762 78.696 1.00 14.44 H new ATOM 0 HB2 ALA A 101 -4.264 62.700 77.351 1.00 14.44 H new ATOM 0 HB3 ALA A 101 -3.661 61.191 78.075 1.00 14.44 H new ATOM 1596 N GLY A 102 0.139 62.238 77.239 1.00 31.33 N ATOM 1597 CA GLY A 102 1.383 61.747 77.801 1.00 22.15 C ATOM 1598 C GLY A 102 2.511 61.736 76.788 1.00 43.32 C ATOM 1599 O GLY A 102 3.524 62.413 76.969 1.00 3.54 O ATOM 0 H GLY A 102 0.225 63.094 76.691 1.00 31.33 H new ATOM 0 HA2 GLY A 102 1.666 62.370 78.649 1.00 22.15 H new ATOM 0 HA3 GLY A 102 1.232 60.738 78.184 1.00 22.15 H new ATOM 1603 N LEU A 103 2.338 60.965 75.720 1.00 23.11 N ATOM 1604 CA LEU A 103 3.351 60.867 74.675 1.00 70.34 C ATOM 1605 C LEU A 103 3.738 62.250 74.160 1.00 23.40 C ATOM 1606 O LEU A 103 3.007 62.858 73.377 1.00 32.41 O ATOM 1607 CB LEU A 103 2.839 60.005 73.520 1.00 41.02 C ATOM 1608 CG LEU A 103 1.419 60.303 73.038 1.00 13.14 C ATOM 1609 CD1 LEU A 103 1.448 60.987 71.680 1.00 15.21 C ATOM 1610 CD2 LEU A 103 0.597 59.023 72.976 1.00 65.05 C ATOM 0 H LEU A 103 1.506 60.399 75.555 1.00 23.11 H new ATOM 0 HA LEU A 103 4.237 60.399 75.105 1.00 70.34 H new ATOM 0 HB2 LEU A 103 3.519 60.122 72.677 1.00 41.02 H new ATOM 0 HB3 LEU A 103 2.886 58.960 73.825 1.00 41.02 H new ATOM 0 HG LEU A 103 0.948 60.979 73.752 1.00 13.14 H new ATOM 0 HD11 LEU A 103 0.428 61.191 71.354 1.00 15.21 H new ATOM 0 HD12 LEU A 103 1.999 61.924 71.756 1.00 15.21 H new ATOM 0 HD13 LEU A 103 1.938 60.336 70.955 1.00 15.21 H new ATOM 0 HD21 LEU A 103 -0.411 59.254 72.631 1.00 65.05 H new ATOM 0 HD22 LEU A 103 1.066 58.323 72.284 1.00 65.05 H new ATOM 0 HD23 LEU A 103 0.547 58.574 73.968 1.00 65.05 H new