USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1009 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 111 GLN : amide:sc= 0.865 K(o=2.1,f=-11!) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 156:sc= 1.23 (180deg=0) USER MOD Set 1.3: A 115 TYR OH : rot 30:sc= 0.018 USER MOD Set 2.1: A 92 THR OG1 : rot 180:sc= -0.0196 USER MOD Set 2.2: A 99 THR OG1 : rot -25:sc= 0.173 USER MOD Single : A 24 LYS NZ :NH3+ -171:sc= 0.67 (180deg=0.299) USER MOD Single : A 25 GLN : amide:sc= 0.291 X(o=0.29,f=-0.042) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= 0.88 (180deg=0.86) USER MOD Single : A 36 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0261) USER MOD Single : A 44 SER OG : rot 90:sc= 0.434 USER MOD Single : A 46 MET CE :methyl 177:sc= -5.11! (180deg=-5.27!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.624 K(o=0.62,f=-4.4!) USER MOD Single : A 59 MET CE :methyl 146:sc=-0.00579 (180deg=-1.07) USER MOD Single : A 61 LYS NZ :NH3+ -166:sc= -0.0246 (180deg=-0.224) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 MET CE :methyl -162:sc= -0.0986 (180deg=-0.587) USER MOD Single : A 70 TYR OH : rot 180:sc= -0.57 USER MOD Single : A 74 THR OG1 : rot -76:sc= 1.15 USER MOD Single : A 76 LYS NZ :NH3+ 168:sc= 2.93 (180deg=2.66) USER MOD Single : A 84 ASN : amide:sc= -0.0586 K(o=-0.059,f=-0.71) USER MOD Single : A 85 LYS NZ :NH3+ -130:sc= 1 (180deg=0.131) USER MOD Single : A 86 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.032) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc=-0.00758 (180deg=-0.0871) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.245 F(o=-1.3,f=-0.25) USER MOD Single : A 100 SER OG : rot -29:sc= 0.624 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 73:sc= 0.989 USER MOD Single : A 112 TYR OH : rot 113:sc= 0.244 USER MOD Single : A 113 MET CE :methyl -174:sc= -0.636 (180deg=-0.777) USER MOD Single : A 117 TYR OH : rot 180:sc= -0.0241 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 CYS SG : rot -20:sc= 0.089 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -60:sc= 0.188 USER MOD Single : A 128 ASN : amide:sc= -0.458 X(o=-0.46,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.0156 K(o=-0.016,f=-1) USER MOD Single : A 133 GLN : amide:sc= 0.339 K(o=0.34,f=-0.2) USER MOD Single : A 138 SER OG : rot 75:sc= 0.767 USER MOD Single : A 139 ASN : amide:sc= -2.29! C(o=-2.3!,f=-7!) USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -4.880 -17.836 0.689 1.00 31.23 N ATOM 351 CA PHE A 23 -3.675 -18.027 1.501 1.00 31.33 C ATOM 352 C PHE A 23 -3.890 -17.569 2.960 1.00 24.43 C ATOM 353 O PHE A 23 -3.728 -16.391 3.293 1.00 2.34 O ATOM 354 CB PHE A 23 -2.503 -17.275 0.848 1.00 33.21 C ATOM 355 CG PHE A 23 -1.128 -17.727 1.292 1.00 32.34 C ATOM 356 CD1 PHE A 23 -0.789 -19.074 1.287 1.00 53.32 C ATOM 357 CD2 PHE A 23 -0.166 -16.803 1.683 1.00 12.13 C ATOM 358 CE1 PHE A 23 0.476 -19.488 1.665 1.00 30.22 C ATOM 359 CE2 PHE A 23 1.097 -17.215 2.065 1.00 34.44 C ATOM 360 CZ PHE A 23 1.419 -18.558 2.056 1.00 24.05 C ATOM 0 HA PHE A 23 -3.443 -19.091 1.540 1.00 31.33 H new ATOM 0 HB2 PHE A 23 -2.575 -17.389 -0.234 1.00 33.21 H new ATOM 0 HB3 PHE A 23 -2.607 -16.212 1.064 1.00 33.21 H new ATOM 0 HD1 PHE A 23 -1.522 -19.807 0.984 1.00 53.32 H new ATOM 0 HD2 PHE A 23 -0.408 -15.751 1.688 1.00 12.13 H new ATOM 0 HE1 PHE A 23 0.726 -20.539 1.654 1.00 30.22 H new ATOM 0 HE2 PHE A 23 1.833 -16.486 2.371 1.00 34.44 H new ATOM 0 HZ PHE A 23 2.406 -18.880 2.354 1.00 24.05 H new ATOM 370 N LYS A 24 -4.264 -18.523 3.814 1.00 13.42 N ATOM 371 CA LYS A 24 -4.566 -18.275 5.236 1.00 34.33 C ATOM 372 C LYS A 24 -3.457 -17.485 5.967 1.00 51.15 C ATOM 373 O LYS A 24 -3.728 -16.760 6.931 1.00 23.34 O ATOM 374 CB LYS A 24 -4.779 -19.626 5.936 1.00 53.34 C ATOM 375 CG LYS A 24 -5.214 -19.520 7.394 1.00 75.20 C ATOM 376 CD LYS A 24 -6.652 -19.024 7.527 1.00 60.32 C ATOM 377 CE LYS A 24 -7.072 -18.908 8.988 1.00 73.10 C ATOM 378 NZ LYS A 24 -6.862 -20.178 9.740 1.00 25.15 N ATOM 0 H LYS A 24 -4.369 -19.500 3.542 1.00 13.42 H new ATOM 0 HA LYS A 24 -5.465 -17.660 5.277 1.00 34.33 H new ATOM 0 HB2 LYS A 24 -5.531 -20.192 5.386 1.00 53.34 H new ATOM 0 HB3 LYS A 24 -3.852 -20.197 5.887 1.00 53.34 H new ATOM 0 HG2 LYS A 24 -5.121 -20.495 7.872 1.00 75.20 H new ATOM 0 HG3 LYS A 24 -4.546 -18.841 7.923 1.00 75.20 H new ATOM 0 HD2 LYS A 24 -6.749 -18.053 7.042 1.00 60.32 H new ATOM 0 HD3 LYS A 24 -7.323 -19.708 7.008 1.00 60.32 H new ATOM 0 HE2 LYS A 24 -6.505 -18.108 9.464 1.00 73.10 H new ATOM 0 HE3 LYS A 24 -8.124 -18.627 9.040 1.00 73.10 H new ATOM 0 HZ1 LYS A 24 -7.299 -20.101 10.680 1.00 25.15 H new ATOM 0 HZ2 LYS A 24 -7.297 -20.966 9.219 1.00 25.15 H new ATOM 0 HZ3 LYS A 24 -5.843 -20.354 9.846 1.00 25.15 H new ATOM 392 N GLN A 25 -2.219 -17.620 5.496 1.00 12.01 N ATOM 393 CA GLN A 25 -1.054 -17.025 6.168 1.00 33.11 C ATOM 394 C GLN A 25 -1.249 -15.529 6.481 1.00 33.43 C ATOM 395 O GLN A 25 -0.862 -15.068 7.555 1.00 24.34 O ATOM 396 CB GLN A 25 0.200 -17.217 5.309 1.00 21.33 C ATOM 397 CG GLN A 25 1.486 -16.706 5.952 1.00 52.11 C ATOM 398 CD GLN A 25 1.828 -17.426 7.246 1.00 73.15 C ATOM 399 OE1 GLN A 25 2.506 -18.447 7.243 1.00 74.25 O ATOM 400 NE2 GLN A 25 1.361 -16.902 8.365 1.00 11.35 N ATOM 0 H GLN A 25 -1.991 -18.138 4.647 1.00 12.01 H new ATOM 0 HA GLN A 25 -0.937 -17.541 7.121 1.00 33.11 H new ATOM 0 HB2 GLN A 25 0.315 -18.278 5.087 1.00 21.33 H new ATOM 0 HB3 GLN A 25 0.056 -16.706 4.357 1.00 21.33 H new ATOM 0 HG2 GLN A 25 2.310 -16.824 5.248 1.00 52.11 H new ATOM 0 HG3 GLN A 25 1.387 -15.639 6.151 1.00 52.11 H new ATOM 0 HE21 GLN A 25 0.799 -16.051 8.334 1.00 11.35 H new ATOM 0 HE22 GLN A 25 1.562 -17.348 9.260 1.00 11.35 H new ATOM 409 N LEU A 26 -1.856 -14.780 5.551 1.00 71.14 N ATOM 410 CA LEU A 26 -2.101 -13.338 5.750 1.00 43.11 C ATOM 411 C LEU A 26 -2.899 -13.068 7.033 1.00 51.14 C ATOM 412 O LEU A 26 -2.589 -12.146 7.790 1.00 35.15 O ATOM 413 CB LEU A 26 -2.853 -12.737 4.552 1.00 52.11 C ATOM 414 CG LEU A 26 -2.033 -12.577 3.263 1.00 2.01 C ATOM 415 CD1 LEU A 26 -2.878 -11.923 2.171 1.00 0.12 C ATOM 416 CD2 LEU A 26 -0.766 -11.763 3.524 1.00 12.51 C ATOM 0 H LEU A 26 -2.186 -15.142 4.657 1.00 71.14 H new ATOM 0 HA LEU A 26 -1.124 -12.863 5.841 1.00 43.11 H new ATOM 0 HB2 LEU A 26 -3.716 -13.366 4.336 1.00 52.11 H new ATOM 0 HB3 LEU A 26 -3.236 -11.758 4.841 1.00 52.11 H new ATOM 0 HG LEU A 26 -1.735 -13.568 2.921 1.00 2.01 H new ATOM 0 HD11 LEU A 26 -2.282 -11.817 1.264 1.00 0.12 H new ATOM 0 HD12 LEU A 26 -3.748 -12.545 1.963 1.00 0.12 H new ATOM 0 HD13 LEU A 26 -3.207 -10.939 2.506 1.00 0.12 H new ATOM 0 HD21 LEU A 26 -0.201 -11.662 2.597 1.00 12.51 H new ATOM 0 HD22 LEU A 26 -1.038 -10.774 3.892 1.00 12.51 H new ATOM 0 HD23 LEU A 26 -0.154 -12.271 4.269 1.00 12.51 H new ATOM 428 N TYR A 27 -3.923 -13.881 7.266 1.00 72.40 N ATOM 429 CA TYR A 27 -4.783 -13.730 8.442 1.00 13.33 C ATOM 430 C TYR A 27 -4.008 -14.017 9.734 1.00 11.25 C ATOM 431 O TYR A 27 -4.082 -13.257 10.702 1.00 71.22 O ATOM 432 CB TYR A 27 -5.991 -14.675 8.341 1.00 33.11 C ATOM 433 CG TYR A 27 -6.869 -14.419 7.128 1.00 1.54 C ATOM 434 CD1 TYR A 27 -6.520 -14.915 5.875 1.00 75.23 C ATOM 435 CD2 TYR A 27 -8.042 -13.677 7.235 1.00 74.45 C ATOM 436 CE1 TYR A 27 -7.313 -14.679 4.769 1.00 60.10 C ATOM 437 CE2 TYR A 27 -8.839 -13.436 6.133 1.00 22.30 C ATOM 438 CZ TYR A 27 -8.470 -13.939 4.903 1.00 54.42 C ATOM 439 OH TYR A 27 -9.260 -13.700 3.799 1.00 51.41 O ATOM 0 H TYR A 27 -4.182 -14.656 6.655 1.00 72.40 H new ATOM 0 HA TYR A 27 -5.133 -12.698 8.472 1.00 13.33 H new ATOM 0 HB2 TYR A 27 -5.634 -15.704 8.309 1.00 33.11 H new ATOM 0 HB3 TYR A 27 -6.595 -14.575 9.243 1.00 33.11 H new ATOM 0 HD1 TYR A 27 -5.615 -15.494 5.766 1.00 75.23 H new ATOM 0 HD2 TYR A 27 -8.334 -13.283 8.197 1.00 74.45 H new ATOM 0 HE1 TYR A 27 -7.029 -15.072 3.804 1.00 60.10 H new ATOM 0 HE2 TYR A 27 -9.745 -12.857 6.234 1.00 22.30 H new ATOM 0 HH TYR A 27 -10.038 -13.165 4.063 1.00 51.41 H new ATOM 449 N GLU A 28 -3.244 -15.107 9.728 1.00 13.15 N ATOM 450 CA GLU A 28 -2.553 -15.573 10.937 1.00 73.23 C ATOM 451 C GLU A 28 -1.063 -15.158 10.968 1.00 73.01 C ATOM 452 O GLU A 28 -0.238 -15.824 11.596 1.00 55.11 O ATOM 453 CB GLU A 28 -2.713 -17.098 11.061 1.00 44.21 C ATOM 454 CG GLU A 28 -4.176 -17.542 11.064 1.00 64.13 C ATOM 455 CD GLU A 28 -4.363 -19.029 11.332 1.00 2.02 C ATOM 456 OE1 GLU A 28 -4.128 -19.840 10.414 1.00 71.22 O ATOM 457 OE2 GLU A 28 -4.786 -19.390 12.450 1.00 21.45 O ATOM 0 H GLU A 28 -3.085 -15.686 8.903 1.00 13.15 H new ATOM 0 HA GLU A 28 -3.016 -15.090 11.798 1.00 73.23 H new ATOM 0 HB2 GLU A 28 -2.193 -17.582 10.234 1.00 44.21 H new ATOM 0 HB3 GLU A 28 -2.234 -17.435 11.980 1.00 44.21 H new ATOM 0 HG2 GLU A 28 -4.717 -16.974 11.821 1.00 64.13 H new ATOM 0 HG3 GLU A 28 -4.623 -17.296 10.101 1.00 64.13 H new ATOM 464 N LEU A 29 -0.722 -14.044 10.305 1.00 55.34 N ATOM 465 CA LEU A 29 0.627 -13.456 10.428 1.00 4.34 C ATOM 466 C LEU A 29 0.896 -13.042 11.885 1.00 24.23 C ATOM 467 O LEU A 29 1.881 -13.459 12.494 1.00 32.42 O ATOM 468 CB LEU A 29 0.768 -12.235 9.500 1.00 74.32 C ATOM 469 CG LEU A 29 0.824 -12.548 7.993 1.00 32.41 C ATOM 470 CD1 LEU A 29 0.643 -11.281 7.164 1.00 13.24 C ATOM 471 CD2 LEU A 29 2.142 -13.225 7.631 1.00 70.42 C ATOM 0 H LEU A 29 -1.350 -13.534 9.684 1.00 55.34 H new ATOM 0 HA LEU A 29 1.359 -14.207 10.132 1.00 4.34 H new ATOM 0 HB2 LEU A 29 -0.071 -11.564 9.683 1.00 74.32 H new ATOM 0 HB3 LEU A 29 1.674 -11.695 9.775 1.00 74.32 H new ATOM 0 HG LEU A 29 0.005 -13.230 7.765 1.00 32.41 H new ATOM 0 HD11 LEU A 29 0.687 -11.531 6.104 1.00 13.24 H new ATOM 0 HD12 LEU A 29 -0.324 -10.832 7.392 1.00 13.24 H new ATOM 0 HD13 LEU A 29 1.437 -10.573 7.403 1.00 13.24 H new ATOM 0 HD21 LEU A 29 2.160 -13.437 6.562 1.00 70.42 H new ATOM 0 HD22 LEU A 29 2.972 -12.565 7.884 1.00 70.42 H new ATOM 0 HD23 LEU A 29 2.237 -14.157 8.188 1.00 70.42 H new ATOM 483 N ASP A 30 -0.001 -12.222 12.431 1.00 70.44 N ATOM 484 CA ASP A 30 -0.018 -11.911 13.867 1.00 33.04 C ATOM 485 C ASP A 30 -1.340 -12.370 14.508 1.00 25.12 C ATOM 486 O ASP A 30 -1.391 -12.678 15.698 1.00 30.33 O ATOM 487 CB ASP A 30 0.178 -10.411 14.102 1.00 13.05 C ATOM 488 CG ASP A 30 1.561 -9.932 13.706 1.00 20.14 C ATOM 489 OD1 ASP A 30 2.490 -10.030 14.534 1.00 72.35 O ATOM 490 OD2 ASP A 30 1.728 -9.450 12.569 1.00 4.11 O ATOM 0 H ASP A 30 -0.734 -11.755 11.897 1.00 70.44 H new ATOM 0 HA ASP A 30 0.807 -12.450 14.334 1.00 33.04 H new ATOM 0 HB2 ASP A 30 -0.570 -9.858 13.534 1.00 13.05 H new ATOM 0 HB3 ASP A 30 0.008 -10.187 15.155 1.00 13.05 H new ATOM 495 N GLY A 31 -2.409 -12.409 13.705 1.00 22.35 N ATOM 496 CA GLY A 31 -3.719 -12.823 14.206 1.00 4.31 C ATOM 497 C GLY A 31 -4.558 -11.668 14.755 1.00 71.01 C ATOM 498 O GLY A 31 -5.573 -11.899 15.415 1.00 21.33 O ATOM 0 H GLY A 31 -2.392 -12.161 12.716 1.00 22.35 H new ATOM 0 HA2 GLY A 31 -4.269 -13.310 13.401 1.00 4.31 H new ATOM 0 HA3 GLY A 31 -3.580 -13.566 14.992 1.00 4.31 H new ATOM 502 N ASP A 32 -4.141 -10.428 14.472 1.00 22.13 N ATOM 503 CA ASP A 32 -4.847 -9.228 14.956 1.00 31.12 C ATOM 504 C ASP A 32 -6.349 -9.260 14.620 1.00 23.33 C ATOM 505 O ASP A 32 -6.732 -9.600 13.496 1.00 41.22 O ATOM 506 CB ASP A 32 -4.238 -7.965 14.338 1.00 30.21 C ATOM 507 CG ASP A 32 -2.732 -7.939 14.451 1.00 51.24 C ATOM 508 OD1 ASP A 32 -2.218 -7.522 15.508 1.00 2.14 O ATOM 509 OD2 ASP A 32 -2.062 -8.347 13.483 1.00 72.43 O ATOM 0 H ASP A 32 -3.315 -10.226 13.908 1.00 22.13 H new ATOM 0 HA ASP A 32 -4.734 -9.216 16.040 1.00 31.12 H new ATOM 0 HB2 ASP A 32 -4.522 -7.904 13.287 1.00 30.21 H new ATOM 0 HB3 ASP A 32 -4.652 -7.086 14.832 1.00 30.21 H new ATOM 514 N PRO A 33 -7.217 -8.870 15.574 1.00 75.21 N ATOM 515 CA PRO A 33 -8.673 -8.809 15.345 1.00 13.43 C ATOM 516 C PRO A 33 -9.041 -7.893 14.166 1.00 74.05 C ATOM 517 O PRO A 33 -9.975 -8.169 13.416 1.00 22.35 O ATOM 518 CB PRO A 33 -9.228 -8.246 16.666 1.00 73.20 C ATOM 519 CG PRO A 33 -8.050 -7.647 17.367 1.00 61.24 C ATOM 520 CD PRO A 33 -6.861 -8.466 16.948 1.00 55.41 C ATOM 0 HA PRO A 33 -9.083 -9.784 15.084 1.00 13.43 H new ATOM 0 HB2 PRO A 33 -9.998 -7.497 16.481 1.00 73.20 H new ATOM 0 HB3 PRO A 33 -9.685 -9.032 17.267 1.00 73.20 H new ATOM 0 HG2 PRO A 33 -7.921 -6.601 17.090 1.00 61.24 H new ATOM 0 HG3 PRO A 33 -8.183 -7.676 18.448 1.00 61.24 H new ATOM 0 HD2 PRO A 33 -5.939 -7.885 16.974 1.00 55.41 H new ATOM 0 HD3 PRO A 33 -6.713 -9.328 17.599 1.00 55.41 H new ATOM 528 N LYS A 34 -8.287 -6.810 14.001 1.00 50.14 N ATOM 529 CA LYS A 34 -8.530 -5.855 12.914 1.00 35.50 C ATOM 530 C LYS A 34 -7.832 -6.270 11.612 1.00 41.32 C ATOM 531 O LYS A 34 -8.026 -5.645 10.569 1.00 43.05 O ATOM 532 CB LYS A 34 -8.083 -4.452 13.344 1.00 35.01 C ATOM 533 CG LYS A 34 -8.904 -3.897 14.504 1.00 53.34 C ATOM 534 CD LYS A 34 -10.386 -3.838 14.147 1.00 50.24 C ATOM 535 CE LYS A 34 -11.262 -3.526 15.352 1.00 14.44 C ATOM 536 NZ LYS A 34 -12.704 -3.587 15.001 1.00 31.20 N ATOM 0 H LYS A 34 -7.501 -6.568 14.604 1.00 50.14 H new ATOM 0 HA LYS A 34 -9.601 -5.847 12.711 1.00 35.50 H new ATOM 0 HB2 LYS A 34 -7.032 -4.483 13.631 1.00 35.01 H new ATOM 0 HB3 LYS A 34 -8.161 -3.775 12.494 1.00 35.01 H new ATOM 0 HG2 LYS A 34 -8.763 -4.523 15.386 1.00 53.34 H new ATOM 0 HG3 LYS A 34 -8.548 -2.899 14.761 1.00 53.34 H new ATOM 0 HD2 LYS A 34 -10.542 -3.078 13.381 1.00 50.24 H new ATOM 0 HD3 LYS A 34 -10.691 -4.792 13.717 1.00 50.24 H new ATOM 0 HE2 LYS A 34 -11.050 -4.235 16.152 1.00 14.44 H new ATOM 0 HE3 LYS A 34 -11.020 -2.534 15.733 1.00 14.44 H new ATOM 0 HZ1 LYS A 34 -13.276 -3.420 15.853 1.00 31.20 H new ATOM 0 HZ2 LYS A 34 -12.920 -2.858 14.291 1.00 31.20 H new ATOM 0 HZ3 LYS A 34 -12.927 -4.526 14.613 1.00 31.20 H new ATOM 550 N ARG A 35 -7.030 -7.332 11.669 1.00 51.13 N ATOM 551 CA ARG A 35 -6.348 -7.840 10.476 1.00 25.23 C ATOM 552 C ARG A 35 -7.330 -8.569 9.550 1.00 44.25 C ATOM 553 O ARG A 35 -7.524 -8.167 8.406 1.00 44.15 O ATOM 554 CB ARG A 35 -5.195 -8.776 10.861 1.00 41.44 C ATOM 555 CG ARG A 35 -4.443 -9.348 9.661 1.00 4.40 C ATOM 556 CD ARG A 35 -3.230 -10.163 10.089 1.00 21.44 C ATOM 557 NE ARG A 35 -2.290 -9.365 10.870 1.00 25.45 N ATOM 558 CZ ARG A 35 -1.162 -8.896 10.414 1.00 34.40 C ATOM 559 NH1 ARG A 35 -0.797 -9.114 9.191 1.00 52.11 N ATOM 560 NH2 ARG A 35 -0.400 -8.204 11.188 1.00 34.13 N ATOM 0 H ARG A 35 -6.836 -7.856 12.522 1.00 51.13 H new ATOM 0 HA ARG A 35 -5.937 -6.984 9.941 1.00 25.23 H new ATOM 0 HB2 ARG A 35 -4.493 -8.232 11.493 1.00 41.44 H new ATOM 0 HB3 ARG A 35 -5.590 -9.599 11.457 1.00 41.44 H new ATOM 0 HG2 ARG A 35 -5.115 -9.976 9.077 1.00 4.40 H new ATOM 0 HG3 ARG A 35 -4.123 -8.534 9.011 1.00 4.40 H new ATOM 0 HD2 ARG A 35 -3.557 -11.020 10.678 1.00 21.44 H new ATOM 0 HD3 ARG A 35 -2.727 -10.557 9.206 1.00 21.44 H new ATOM 0 HE ARG A 35 -2.532 -9.160 11.839 1.00 25.45 H new ATOM 0 HH11 ARG A 35 -1.395 -9.659 8.570 1.00 52.11 H new ATOM 0 HH12 ARG A 35 0.088 -8.741 8.849 1.00 52.11 H new ATOM 0 HH21 ARG A 35 -0.680 -8.025 12.152 1.00 34.13 H new ATOM 0 HH22 ARG A 35 0.483 -7.835 10.837 1.00 34.13 H new ATOM 574 N LYS A 36 -7.947 -9.646 10.048 1.00 63.43 N ATOM 575 CA LYS A 36 -8.927 -10.395 9.249 1.00 54.45 C ATOM 576 C LYS A 36 -10.093 -9.495 8.811 1.00 61.12 C ATOM 577 O LYS A 36 -10.635 -9.668 7.720 1.00 70.23 O ATOM 578 CB LYS A 36 -9.452 -11.645 9.988 1.00 74.04 C ATOM 579 CG LYS A 36 -10.284 -11.372 11.246 1.00 21.15 C ATOM 580 CD LYS A 36 -9.424 -11.017 12.455 1.00 55.35 C ATOM 581 CE LYS A 36 -8.440 -12.131 12.812 1.00 3.31 C ATOM 582 NZ LYS A 36 -9.126 -13.380 13.236 1.00 73.10 N ATOM 0 H LYS A 36 -7.790 -10.016 10.986 1.00 63.43 H new ATOM 0 HA LYS A 36 -8.404 -10.741 8.357 1.00 54.45 H new ATOM 0 HB2 LYS A 36 -10.057 -12.228 9.294 1.00 74.04 H new ATOM 0 HB3 LYS A 36 -8.600 -12.265 10.266 1.00 74.04 H new ATOM 0 HG2 LYS A 36 -10.979 -10.556 11.047 1.00 21.15 H new ATOM 0 HG3 LYS A 36 -10.884 -12.252 11.478 1.00 21.15 H new ATOM 0 HD2 LYS A 36 -8.872 -10.100 12.249 1.00 55.35 H new ATOM 0 HD3 LYS A 36 -10.069 -10.816 13.311 1.00 55.35 H new ATOM 0 HE2 LYS A 36 -7.807 -12.342 11.950 1.00 3.31 H new ATOM 0 HE3 LYS A 36 -7.785 -11.790 13.613 1.00 3.31 H new ATOM 0 HZ1 LYS A 36 -8.418 -14.082 13.532 1.00 73.10 H new ATOM 0 HZ2 LYS A 36 -9.762 -13.173 14.032 1.00 73.10 H new ATOM 0 HZ3 LYS A 36 -9.678 -13.760 12.441 1.00 73.10 H new ATOM 596 N GLU A 37 -10.471 -8.532 9.663 1.00 25.24 N ATOM 597 CA GLU A 37 -11.441 -7.503 9.271 1.00 22.42 C ATOM 598 C GLU A 37 -10.936 -6.731 8.045 1.00 5.51 C ATOM 599 O GLU A 37 -11.551 -6.765 6.981 1.00 25.13 O ATOM 600 CB GLU A 37 -11.709 -6.514 10.422 1.00 32.45 C ATOM 601 CG GLU A 37 -12.519 -7.091 11.578 1.00 1.03 C ATOM 602 CD GLU A 37 -12.920 -6.023 12.589 1.00 11.11 C ATOM 603 OE1 GLU A 37 -13.549 -5.019 12.183 1.00 45.12 O ATOM 604 OE2 GLU A 37 -12.631 -6.182 13.793 1.00 2.01 O ATOM 0 H GLU A 37 -10.124 -8.445 10.618 1.00 25.24 H new ATOM 0 HA GLU A 37 -12.374 -8.010 9.025 1.00 22.42 H new ATOM 0 HB2 GLU A 37 -10.754 -6.157 10.807 1.00 32.45 H new ATOM 0 HB3 GLU A 37 -12.236 -5.647 10.023 1.00 32.45 H new ATOM 0 HG2 GLU A 37 -13.415 -7.573 11.187 1.00 1.03 H new ATOM 0 HG3 GLU A 37 -11.935 -7.863 12.079 1.00 1.03 H new ATOM 611 N PHE A 38 -9.788 -6.063 8.201 1.00 21.40 N ATOM 612 CA PHE A 38 -9.183 -5.282 7.115 1.00 55.24 C ATOM 613 C PHE A 38 -9.075 -6.101 5.820 1.00 5.23 C ATOM 614 O PHE A 38 -9.362 -5.598 4.738 1.00 33.32 O ATOM 615 CB PHE A 38 -7.794 -4.776 7.533 1.00 3.55 C ATOM 616 CG PHE A 38 -7.074 -3.998 6.456 1.00 72.41 C ATOM 617 CD1 PHE A 38 -7.393 -2.671 6.206 1.00 31.34 C ATOM 618 CD2 PHE A 38 -6.079 -4.596 5.693 1.00 10.43 C ATOM 619 CE1 PHE A 38 -6.739 -1.959 5.219 1.00 52.23 C ATOM 620 CE2 PHE A 38 -5.423 -3.888 4.704 1.00 60.11 C ATOM 621 CZ PHE A 38 -5.753 -2.569 4.468 1.00 43.45 C ATOM 0 H PHE A 38 -9.257 -6.047 9.072 1.00 21.40 H new ATOM 0 HA PHE A 38 -9.834 -4.430 6.920 1.00 55.24 H new ATOM 0 HB2 PHE A 38 -7.899 -4.144 8.415 1.00 3.55 H new ATOM 0 HB3 PHE A 38 -7.180 -5.629 7.823 1.00 3.55 H new ATOM 0 HD1 PHE A 38 -8.162 -2.188 6.790 1.00 31.34 H new ATOM 0 HD2 PHE A 38 -5.815 -5.627 5.875 1.00 10.43 H new ATOM 0 HE1 PHE A 38 -6.998 -0.927 5.035 1.00 52.23 H new ATOM 0 HE2 PHE A 38 -4.653 -4.366 4.117 1.00 60.11 H new ATOM 0 HZ PHE A 38 -5.241 -2.014 3.696 1.00 43.45 H new ATOM 631 N LEU A 39 -8.670 -7.365 5.943 1.00 1.35 N ATOM 632 CA LEU A 39 -8.531 -8.256 4.785 1.00 5.31 C ATOM 633 C LEU A 39 -9.882 -8.516 4.096 1.00 71.31 C ATOM 634 O LEU A 39 -9.998 -8.381 2.878 1.00 53.12 O ATOM 635 CB LEU A 39 -7.886 -9.585 5.210 1.00 73.13 C ATOM 636 CG LEU A 39 -6.445 -9.477 5.741 1.00 11.44 C ATOM 637 CD1 LEU A 39 -5.913 -10.850 6.147 1.00 4.42 C ATOM 638 CD2 LEU A 39 -5.530 -8.831 4.701 1.00 44.34 C ATOM 0 H LEU A 39 -8.431 -7.799 6.835 1.00 1.35 H new ATOM 0 HA LEU A 39 -7.884 -7.757 4.063 1.00 5.31 H new ATOM 0 HB2 LEU A 39 -8.507 -10.041 5.981 1.00 73.13 H new ATOM 0 HB3 LEU A 39 -7.891 -10.262 4.356 1.00 73.13 H new ATOM 0 HG LEU A 39 -6.458 -8.841 6.626 1.00 11.44 H new ATOM 0 HD11 LEU A 39 -4.893 -10.750 6.519 1.00 4.42 H new ATOM 0 HD12 LEU A 39 -6.546 -11.268 6.930 1.00 4.42 H new ATOM 0 HD13 LEU A 39 -5.920 -11.513 5.282 1.00 4.42 H new ATOM 0 HD21 LEU A 39 -4.517 -8.765 5.098 1.00 44.34 H new ATOM 0 HD22 LEU A 39 -5.526 -9.436 3.794 1.00 44.34 H new ATOM 0 HD23 LEU A 39 -5.894 -7.830 4.468 1.00 44.34 H new ATOM 650 N ASP A 40 -10.901 -8.879 4.873 1.00 3.35 N ATOM 651 CA ASP A 40 -12.237 -9.136 4.322 1.00 71.11 C ATOM 652 C ASP A 40 -12.817 -7.870 3.666 1.00 2.31 C ATOM 653 O ASP A 40 -13.290 -7.907 2.525 1.00 71.20 O ATOM 654 CB ASP A 40 -13.173 -9.651 5.422 1.00 63.13 C ATOM 655 CG ASP A 40 -14.582 -9.905 4.916 1.00 33.13 C ATOM 656 OD1 ASP A 40 -14.747 -10.713 3.977 1.00 3.53 O ATOM 657 OD2 ASP A 40 -15.533 -9.288 5.441 1.00 22.21 O ATOM 0 H ASP A 40 -10.831 -9.002 5.883 1.00 3.35 H new ATOM 0 HA ASP A 40 -12.148 -9.901 3.551 1.00 71.11 H new ATOM 0 HB2 ASP A 40 -12.768 -10.574 5.837 1.00 63.13 H new ATOM 0 HB3 ASP A 40 -13.208 -8.925 6.234 1.00 63.13 H new ATOM 662 N ASP A 41 -12.766 -6.754 4.390 1.00 54.10 N ATOM 663 CA ASP A 41 -13.213 -5.463 3.868 1.00 33.22 C ATOM 664 C ASP A 41 -12.399 -5.034 2.628 1.00 63.12 C ATOM 665 O ASP A 41 -12.945 -4.450 1.692 1.00 12.31 O ATOM 666 CB ASP A 41 -13.115 -4.390 4.962 1.00 63.01 C ATOM 667 CG ASP A 41 -14.157 -4.573 6.059 1.00 74.13 C ATOM 668 OD1 ASP A 41 -13.941 -5.390 6.974 1.00 13.10 O ATOM 669 OD2 ASP A 41 -15.207 -3.897 6.004 1.00 22.14 O ATOM 0 H ASP A 41 -12.417 -6.718 5.348 1.00 54.10 H new ATOM 0 HA ASP A 41 -14.253 -5.572 3.559 1.00 33.22 H new ATOM 0 HB2 ASP A 41 -12.119 -4.417 5.404 1.00 63.01 H new ATOM 0 HB3 ASP A 41 -13.237 -3.405 4.511 1.00 63.01 H new ATOM 674 N LEU A 42 -11.099 -5.332 2.626 1.00 21.14 N ATOM 675 CA LEU A 42 -10.213 -4.970 1.508 1.00 30.04 C ATOM 676 C LEU A 42 -10.521 -5.789 0.242 1.00 50.44 C ATOM 677 O LEU A 42 -10.858 -5.228 -0.804 1.00 22.33 O ATOM 678 CB LEU A 42 -8.745 -5.184 1.909 1.00 1.22 C ATOM 679 CG LEU A 42 -7.704 -4.892 0.815 1.00 0.44 C ATOM 680 CD1 LEU A 42 -7.677 -3.406 0.472 1.00 25.34 C ATOM 681 CD2 LEU A 42 -6.320 -5.378 1.246 1.00 24.43 C ATOM 0 H LEU A 42 -10.631 -5.825 3.387 1.00 21.14 H new ATOM 0 HA LEU A 42 -10.388 -3.918 1.281 1.00 30.04 H new ATOM 0 HB2 LEU A 42 -8.527 -4.552 2.770 1.00 1.22 H new ATOM 0 HB3 LEU A 42 -8.623 -6.217 2.234 1.00 1.22 H new ATOM 0 HG LEU A 42 -7.992 -5.438 -0.084 1.00 0.44 H new ATOM 0 HD11 LEU A 42 -6.933 -3.225 -0.304 1.00 25.34 H new ATOM 0 HD12 LEU A 42 -8.659 -3.098 0.112 1.00 25.34 H new ATOM 0 HD13 LEU A 42 -7.420 -2.832 1.362 1.00 25.34 H new ATOM 0 HD21 LEU A 42 -5.597 -5.163 0.459 1.00 24.43 H new ATOM 0 HD22 LEU A 42 -6.023 -4.866 2.161 1.00 24.43 H new ATOM 0 HD23 LEU A 42 -6.351 -6.453 1.425 1.00 24.43 H new ATOM 693 N PHE A 43 -10.417 -7.116 0.354 1.00 43.11 N ATOM 694 CA PHE A 43 -10.604 -8.014 -0.794 1.00 74.44 C ATOM 695 C PHE A 43 -11.974 -7.809 -1.453 1.00 20.33 C ATOM 696 O PHE A 43 -12.079 -7.702 -2.677 1.00 5.24 O ATOM 697 CB PHE A 43 -10.453 -9.486 -0.368 1.00 41.21 C ATOM 698 CG PHE A 43 -9.111 -9.827 0.246 1.00 0.01 C ATOM 699 CD1 PHE A 43 -7.952 -9.170 -0.151 1.00 72.55 C ATOM 700 CD2 PHE A 43 -9.011 -10.815 1.220 1.00 12.40 C ATOM 701 CE1 PHE A 43 -6.727 -9.488 0.409 1.00 42.33 C ATOM 702 CE2 PHE A 43 -7.788 -11.136 1.783 1.00 43.42 C ATOM 703 CZ PHE A 43 -6.646 -10.472 1.377 1.00 42.30 C ATOM 0 H PHE A 43 -10.204 -7.595 1.229 1.00 43.11 H new ATOM 0 HA PHE A 43 -9.830 -7.769 -1.522 1.00 74.44 H new ATOM 0 HB2 PHE A 43 -11.238 -9.726 0.349 1.00 41.21 H new ATOM 0 HB3 PHE A 43 -10.612 -10.121 -1.239 1.00 41.21 H new ATOM 0 HD1 PHE A 43 -8.008 -8.401 -0.907 1.00 72.55 H new ATOM 0 HD2 PHE A 43 -9.899 -11.339 1.541 1.00 12.40 H new ATOM 0 HE1 PHE A 43 -5.836 -8.968 0.090 1.00 42.33 H new ATOM 0 HE2 PHE A 43 -7.726 -11.905 2.539 1.00 43.42 H new ATOM 0 HZ PHE A 43 -5.691 -10.721 1.815 1.00 42.30 H new ATOM 713 N SER A 44 -13.022 -7.752 -0.635 1.00 24.34 N ATOM 714 CA SER A 44 -14.379 -7.532 -1.140 1.00 32.31 C ATOM 715 C SER A 44 -14.499 -6.175 -1.846 1.00 43.04 C ATOM 716 O SER A 44 -15.034 -6.088 -2.951 1.00 62.54 O ATOM 717 CB SER A 44 -15.399 -7.614 0.002 1.00 40.45 C ATOM 718 OG SER A 44 -15.347 -8.878 0.651 1.00 52.13 O ATOM 0 H SER A 44 -12.960 -7.855 0.378 1.00 24.34 H new ATOM 0 HA SER A 44 -14.590 -8.317 -1.866 1.00 32.31 H new ATOM 0 HB2 SER A 44 -15.202 -6.823 0.726 1.00 40.45 H new ATOM 0 HB3 SER A 44 -16.402 -7.445 -0.390 1.00 40.45 H new ATOM 0 HG SER A 44 -14.701 -8.841 1.387 1.00 52.13 H new ATOM 724 N PHE A 45 -13.976 -5.127 -1.207 1.00 10.15 N ATOM 725 CA PHE A 45 -14.034 -3.765 -1.754 1.00 62.23 C ATOM 726 C PHE A 45 -13.367 -3.672 -3.138 1.00 44.11 C ATOM 727 O PHE A 45 -14.002 -3.291 -4.126 1.00 3.13 O ATOM 728 CB PHE A 45 -13.366 -2.781 -0.781 1.00 14.10 C ATOM 729 CG PHE A 45 -13.318 -1.359 -1.284 1.00 72.14 C ATOM 730 CD1 PHE A 45 -14.456 -0.566 -1.273 1.00 70.05 C ATOM 731 CD2 PHE A 45 -12.136 -0.818 -1.772 1.00 62.15 C ATOM 732 CE1 PHE A 45 -14.417 0.734 -1.739 1.00 1.30 C ATOM 733 CE2 PHE A 45 -12.095 0.481 -2.236 1.00 3.43 C ATOM 734 CZ PHE A 45 -13.235 1.257 -2.219 1.00 31.03 C ATOM 0 H PHE A 45 -13.504 -5.194 -0.305 1.00 10.15 H new ATOM 0 HA PHE A 45 -15.085 -3.503 -1.877 1.00 62.23 H new ATOM 0 HB2 PHE A 45 -13.903 -2.802 0.167 1.00 14.10 H new ATOM 0 HB3 PHE A 45 -12.350 -3.119 -0.579 1.00 14.10 H new ATOM 0 HD1 PHE A 45 -15.384 -0.970 -0.896 1.00 70.05 H new ATOM 0 HD2 PHE A 45 -11.239 -1.420 -1.789 1.00 62.15 H new ATOM 0 HE1 PHE A 45 -15.311 1.340 -1.727 1.00 1.30 H new ATOM 0 HE2 PHE A 45 -11.169 0.890 -2.613 1.00 3.43 H new ATOM 0 HZ PHE A 45 -13.202 2.274 -2.581 1.00 31.03 H new ATOM 744 N MET A 46 -12.084 -4.026 -3.209 1.00 51.23 N ATOM 745 CA MET A 46 -11.337 -3.950 -4.468 1.00 31.54 C ATOM 746 C MET A 46 -11.994 -4.811 -5.565 1.00 3.14 C ATOM 747 O MET A 46 -12.032 -4.424 -6.736 1.00 74.13 O ATOM 748 CB MET A 46 -9.871 -4.362 -4.248 1.00 30.11 C ATOM 749 CG MET A 46 -9.684 -5.798 -3.776 1.00 54.03 C ATOM 750 SD MET A 46 -7.966 -6.180 -3.383 1.00 71.00 S ATOM 751 CE MET A 46 -7.156 -5.744 -4.921 1.00 61.43 C ATOM 0 H MET A 46 -11.541 -4.367 -2.415 1.00 51.23 H new ATOM 0 HA MET A 46 -11.357 -2.915 -4.810 1.00 31.54 H new ATOM 0 HB2 MET A 46 -9.324 -4.225 -5.181 1.00 30.11 H new ATOM 0 HB3 MET A 46 -9.424 -3.691 -3.515 1.00 30.11 H new ATOM 0 HG2 MET A 46 -10.302 -5.970 -2.894 1.00 54.03 H new ATOM 0 HG3 MET A 46 -10.036 -6.480 -4.550 1.00 54.03 H new ATOM 0 HE1 MET A 46 -6.079 -5.876 -4.815 1.00 61.43 H new ATOM 0 HE2 MET A 46 -7.523 -6.387 -5.721 1.00 61.43 H new ATOM 0 HE3 MET A 46 -7.372 -4.704 -5.164 1.00 61.43 H new ATOM 761 N GLN A 47 -12.539 -5.961 -5.175 1.00 4.12 N ATOM 762 CA GLN A 47 -13.234 -6.847 -6.116 1.00 42.12 C ATOM 763 C GLN A 47 -14.507 -6.188 -6.685 1.00 53.15 C ATOM 764 O GLN A 47 -14.818 -6.333 -7.869 1.00 62.42 O ATOM 765 CB GLN A 47 -13.596 -8.167 -5.424 1.00 21.04 C ATOM 766 CG GLN A 47 -14.311 -9.164 -6.332 1.00 54.41 C ATOM 767 CD GLN A 47 -14.714 -10.436 -5.607 1.00 73.41 C ATOM 768 OE1 GLN A 47 -15.000 -10.424 -4.415 1.00 63.15 O ATOM 769 NE2 GLN A 47 -14.748 -11.542 -6.321 1.00 63.31 N ATOM 0 H GLN A 47 -12.515 -6.304 -4.215 1.00 4.12 H new ATOM 0 HA GLN A 47 -12.558 -7.043 -6.948 1.00 42.12 H new ATOM 0 HB2 GLN A 47 -12.685 -8.627 -5.041 1.00 21.04 H new ATOM 0 HB3 GLN A 47 -14.231 -7.953 -4.564 1.00 21.04 H new ATOM 0 HG2 GLN A 47 -15.200 -8.693 -6.752 1.00 54.41 H new ATOM 0 HG3 GLN A 47 -13.660 -9.419 -7.168 1.00 54.41 H new ATOM 0 HE21 GLN A 47 -14.504 -11.518 -7.311 1.00 63.31 H new ATOM 0 HE22 GLN A 47 -15.018 -12.423 -5.884 1.00 63.31 H new ATOM 778 N LYS A 48 -15.232 -5.460 -5.836 1.00 41.52 N ATOM 779 CA LYS A 48 -16.491 -4.814 -6.234 1.00 52.40 C ATOM 780 C LYS A 48 -16.258 -3.638 -7.193 1.00 23.44 C ATOM 781 O LYS A 48 -17.116 -3.321 -8.018 1.00 54.41 O ATOM 782 CB LYS A 48 -17.263 -4.349 -4.991 1.00 1.42 C ATOM 783 CG LYS A 48 -17.755 -5.504 -4.123 1.00 52.11 C ATOM 784 CD LYS A 48 -18.358 -5.022 -2.807 1.00 30.43 C ATOM 785 CE LYS A 48 -18.778 -6.190 -1.919 1.00 61.04 C ATOM 786 NZ LYS A 48 -19.246 -5.740 -0.583 1.00 73.30 N ATOM 0 H LYS A 48 -14.971 -5.300 -4.863 1.00 41.52 H new ATOM 0 HA LYS A 48 -17.085 -5.554 -6.770 1.00 52.40 H new ATOM 0 HB2 LYS A 48 -16.621 -3.702 -4.394 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -18.117 -3.749 -5.305 1.00 1.42 H new ATOM 0 HG2 LYS A 48 -18.501 -6.077 -4.674 1.00 52.11 H new ATOM 0 HG3 LYS A 48 -16.925 -6.178 -3.914 1.00 52.11 H new ATOM 0 HD2 LYS A 48 -17.632 -4.405 -2.278 1.00 30.43 H new ATOM 0 HD3 LYS A 48 -19.223 -4.391 -3.012 1.00 30.43 H new ATOM 0 HE2 LYS A 48 -19.573 -6.750 -2.411 1.00 61.04 H new ATOM 0 HE3 LYS A 48 -17.936 -6.872 -1.796 1.00 61.04 H new ATOM 0 HZ1 LYS A 48 -19.521 -6.567 -0.015 1.00 73.30 H new ATOM 0 HZ2 LYS A 48 -18.480 -5.228 -0.101 1.00 73.30 H new ATOM 0 HZ3 LYS A 48 -20.066 -5.110 -0.696 1.00 73.30 H new ATOM 800 N ARG A 49 -15.098 -2.994 -7.092 1.00 43.11 N ATOM 801 CA ARG A 49 -14.760 -1.885 -7.995 1.00 71.22 C ATOM 802 C ARG A 49 -13.962 -2.369 -9.223 1.00 32.12 C ATOM 803 O ARG A 49 -13.370 -1.567 -9.949 1.00 21.54 O ATOM 804 CB ARG A 49 -13.997 -0.793 -7.234 1.00 21.12 C ATOM 805 CG ARG A 49 -12.684 -1.257 -6.613 1.00 20.22 C ATOM 806 CD ARG A 49 -12.076 -0.184 -5.716 1.00 51.41 C ATOM 807 NE ARG A 49 -11.799 1.059 -6.440 1.00 44.21 N ATOM 808 CZ ARG A 49 -12.329 2.218 -6.148 1.00 3.11 C ATOM 809 NH1 ARG A 49 -13.203 2.325 -5.200 1.00 2.34 N ATOM 810 NH2 ARG A 49 -11.991 3.273 -6.816 1.00 53.41 N ATOM 0 H ARG A 49 -14.379 -3.214 -6.403 1.00 43.11 H new ATOM 0 HA ARG A 49 -15.692 -1.461 -8.368 1.00 71.22 H new ATOM 0 HB2 ARG A 49 -13.791 0.031 -7.916 1.00 21.12 H new ATOM 0 HB3 ARG A 49 -14.639 -0.401 -6.445 1.00 21.12 H new ATOM 0 HG2 ARG A 49 -12.856 -2.163 -6.032 1.00 20.22 H new ATOM 0 HG3 ARG A 49 -11.978 -1.514 -7.403 1.00 20.22 H new ATOM 0 HD2 ARG A 49 -12.757 0.024 -4.890 1.00 51.41 H new ATOM 0 HD3 ARG A 49 -11.151 -0.561 -5.279 1.00 51.41 H new ATOM 0 HE ARG A 49 -11.149 1.018 -7.225 1.00 44.21 H new ATOM 0 HH11 ARG A 49 -13.485 1.500 -4.671 1.00 2.34 H new ATOM 0 HH12 ARG A 49 -13.609 3.235 -4.981 1.00 2.34 H new ATOM 0 HH21 ARG A 49 -11.310 3.202 -7.572 1.00 53.41 H new ATOM 0 HH22 ARG A 49 -12.406 4.176 -6.587 1.00 53.41 H new ATOM 824 N GLY A 50 -13.957 -3.683 -9.454 1.00 1.45 N ATOM 825 CA GLY A 50 -13.387 -4.233 -10.684 1.00 40.21 C ATOM 826 C GLY A 50 -11.887 -4.525 -10.628 1.00 45.41 C ATOM 827 O GLY A 50 -11.177 -4.327 -11.619 1.00 70.44 O ATOM 0 H GLY A 50 -14.337 -4.379 -8.813 1.00 1.45 H new ATOM 0 HA2 GLY A 50 -13.912 -5.156 -10.929 1.00 40.21 H new ATOM 0 HA3 GLY A 50 -13.575 -3.533 -11.498 1.00 40.21 H new ATOM 831 N THR A 51 -11.394 -4.996 -9.483 1.00 11.04 N ATOM 832 CA THR A 51 -9.985 -5.417 -9.362 1.00 15.41 C ATOM 833 C THR A 51 -9.751 -6.314 -8.130 1.00 73.13 C ATOM 834 O THR A 51 -9.461 -5.832 -7.037 1.00 14.11 O ATOM 835 CB THR A 51 -9.005 -4.208 -9.336 1.00 35.10 C ATOM 836 OG1 THR A 51 -7.651 -4.662 -9.145 1.00 43.25 O ATOM 837 CG2 THR A 51 -9.378 -3.193 -8.253 1.00 21.33 C ATOM 0 H THR A 51 -11.939 -5.098 -8.627 1.00 11.04 H new ATOM 0 HA THR A 51 -9.773 -6.003 -10.257 1.00 15.41 H new ATOM 0 HB THR A 51 -9.083 -3.706 -10.300 1.00 35.10 H new ATOM 0 HG1 THR A 51 -7.046 -3.891 -9.132 1.00 43.25 H new ATOM 0 HG21 THR A 51 -8.668 -2.366 -8.270 1.00 21.33 H new ATOM 0 HG22 THR A 51 -10.382 -2.813 -8.441 1.00 21.33 H new ATOM 0 HG23 THR A 51 -9.349 -3.676 -7.276 1.00 21.33 H new ATOM 845 N PRO A 52 -9.901 -7.646 -8.289 1.00 3.24 N ATOM 846 CA PRO A 52 -9.697 -8.609 -7.195 1.00 33.55 C ATOM 847 C PRO A 52 -8.221 -9.018 -7.000 1.00 75.51 C ATOM 848 O PRO A 52 -7.306 -8.418 -7.573 1.00 23.41 O ATOM 849 CB PRO A 52 -10.537 -9.804 -7.658 1.00 54.53 C ATOM 850 CG PRO A 52 -10.415 -9.782 -9.145 1.00 70.45 C ATOM 851 CD PRO A 52 -10.298 -8.324 -9.542 1.00 72.22 C ATOM 0 HA PRO A 52 -9.981 -8.198 -6.226 1.00 33.55 H new ATOM 0 HB2 PRO A 52 -10.163 -10.739 -7.241 1.00 54.53 H new ATOM 0 HB3 PRO A 52 -11.576 -9.707 -7.342 1.00 54.53 H new ATOM 0 HG2 PRO A 52 -9.541 -10.345 -9.472 1.00 70.45 H new ATOM 0 HG3 PRO A 52 -11.284 -10.244 -9.613 1.00 70.45 H new ATOM 0 HD2 PRO A 52 -9.555 -8.182 -10.326 1.00 72.22 H new ATOM 0 HD3 PRO A 52 -11.243 -7.937 -9.924 1.00 72.22 H new ATOM 859 N VAL A 53 -8.000 -10.051 -6.186 1.00 21.23 N ATOM 860 CA VAL A 53 -6.645 -10.539 -5.893 1.00 73.01 C ATOM 861 C VAL A 53 -6.309 -11.800 -6.707 1.00 14.12 C ATOM 862 O VAL A 53 -6.917 -12.856 -6.514 1.00 53.44 O ATOM 863 CB VAL A 53 -6.479 -10.850 -4.383 1.00 71.30 C ATOM 864 CG1 VAL A 53 -5.064 -11.347 -4.074 1.00 33.35 C ATOM 865 CG2 VAL A 53 -6.819 -9.618 -3.545 1.00 1.41 C ATOM 0 H VAL A 53 -8.742 -10.569 -5.715 1.00 21.23 H new ATOM 0 HA VAL A 53 -5.956 -9.744 -6.176 1.00 73.01 H new ATOM 0 HB VAL A 53 -7.174 -11.648 -4.121 1.00 71.30 H new ATOM 0 HG11 VAL A 53 -4.977 -11.557 -3.008 1.00 33.35 H new ATOM 0 HG12 VAL A 53 -4.866 -12.257 -4.641 1.00 33.35 H new ATOM 0 HG13 VAL A 53 -4.340 -10.581 -4.353 1.00 33.35 H new ATOM 0 HG21 VAL A 53 -6.698 -9.852 -2.487 1.00 1.41 H new ATOM 0 HG22 VAL A 53 -6.151 -8.799 -3.814 1.00 1.41 H new ATOM 0 HG23 VAL A 53 -7.851 -9.322 -3.735 1.00 1.41 H new ATOM 875 N ASN A 54 -5.347 -11.677 -7.621 1.00 41.50 N ATOM 876 CA ASN A 54 -4.873 -12.816 -8.417 1.00 64.22 C ATOM 877 C ASN A 54 -4.027 -13.775 -7.560 1.00 25.32 C ATOM 878 O ASN A 54 -4.472 -14.866 -7.201 1.00 45.32 O ATOM 879 CB ASN A 54 -4.054 -12.306 -9.613 1.00 75.52 C ATOM 880 CG ASN A 54 -3.410 -13.426 -10.413 1.00 11.14 C ATOM 881 OD1 ASN A 54 -2.278 -13.825 -10.153 1.00 24.35 O ATOM 882 ND2 ASN A 54 -4.120 -13.944 -11.390 1.00 11.15 N ATOM 0 H ASN A 54 -4.877 -10.797 -7.831 1.00 41.50 H new ATOM 0 HA ASN A 54 -5.739 -13.368 -8.782 1.00 64.22 H new ATOM 0 HB2 ASN A 54 -4.702 -11.725 -10.269 1.00 75.52 H new ATOM 0 HB3 ASN A 54 -3.277 -11.631 -9.253 1.00 75.52 H new ATOM 0 HD21 ASN A 54 -3.733 -14.699 -11.957 1.00 11.15 H new ATOM 0 HD22 ASN A 54 -5.058 -13.591 -11.582 1.00 11.15 H new ATOM 889 N ARG A 55 -2.806 -13.350 -7.242 1.00 61.40 N ATOM 890 CA ARG A 55 -1.887 -14.123 -6.400 1.00 3.43 C ATOM 891 C ARG A 55 -0.980 -13.180 -5.594 1.00 3.21 C ATOM 892 O ARG A 55 -0.555 -12.139 -6.095 1.00 4.42 O ATOM 893 CB ARG A 55 -1.039 -15.084 -7.261 1.00 1.33 C ATOM 894 CG ARG A 55 -1.768 -16.373 -7.651 1.00 54.50 C ATOM 895 CD ARG A 55 -1.023 -17.155 -8.729 1.00 23.13 C ATOM 896 NE ARG A 55 -1.087 -16.486 -10.027 1.00 13.21 N ATOM 897 CZ ARG A 55 -0.408 -16.853 -11.078 1.00 71.43 C ATOM 898 NH1 ARG A 55 0.418 -17.852 -11.023 1.00 35.33 N ATOM 899 NH2 ARG A 55 -0.553 -16.216 -12.191 1.00 42.23 N ATOM 0 H ARG A 55 -2.423 -12.460 -7.560 1.00 61.40 H new ATOM 0 HA ARG A 55 -2.476 -14.718 -5.702 1.00 3.43 H new ATOM 0 HB2 ARG A 55 -0.728 -14.565 -8.168 1.00 1.33 H new ATOM 0 HB3 ARG A 55 -0.132 -15.342 -6.714 1.00 1.33 H new ATOM 0 HG2 ARG A 55 -1.889 -17.001 -6.768 1.00 54.50 H new ATOM 0 HG3 ARG A 55 -2.768 -16.128 -8.008 1.00 54.50 H new ATOM 0 HD2 ARG A 55 0.019 -17.278 -8.434 1.00 23.13 H new ATOM 0 HD3 ARG A 55 -1.450 -18.154 -8.814 1.00 23.13 H new ATOM 0 HE ARG A 55 -1.704 -15.679 -10.117 1.00 13.21 H new ATOM 0 HH11 ARG A 55 0.543 -18.362 -10.149 1.00 35.33 H new ATOM 0 HH12 ARG A 55 0.942 -18.127 -11.854 1.00 35.33 H new ATOM 0 HH21 ARG A 55 -1.198 -15.427 -12.247 1.00 42.23 H new ATOM 0 HH22 ARG A 55 -0.023 -16.501 -13.015 1.00 42.23 H new ATOM 913 N ILE A 56 -0.689 -13.549 -4.353 1.00 31.31 N ATOM 914 CA ILE A 56 0.082 -12.690 -3.445 1.00 4.12 C ATOM 915 C ILE A 56 1.544 -12.515 -3.903 1.00 55.14 C ATOM 916 O ILE A 56 2.226 -13.494 -4.216 1.00 55.45 O ATOM 917 CB ILE A 56 0.063 -13.265 -2.008 1.00 44.43 C ATOM 918 CG1 ILE A 56 -1.388 -13.443 -1.528 1.00 71.13 C ATOM 919 CG2 ILE A 56 0.846 -12.362 -1.049 1.00 62.33 C ATOM 920 CD1 ILE A 56 -1.502 -14.079 -0.161 1.00 2.30 C ATOM 0 H ILE A 56 -0.974 -14.440 -3.945 1.00 31.31 H new ATOM 0 HA ILE A 56 -0.396 -11.710 -3.460 1.00 4.12 H new ATOM 0 HB ILE A 56 0.548 -14.241 -2.019 1.00 44.43 H new ATOM 0 HG12 ILE A 56 -1.877 -12.469 -1.508 1.00 71.13 H new ATOM 0 HG13 ILE A 56 -1.928 -14.056 -2.250 1.00 71.13 H new ATOM 0 HG21 ILE A 56 0.819 -12.787 -0.045 1.00 62.33 H new ATOM 0 HG22 ILE A 56 1.881 -12.287 -1.383 1.00 62.33 H new ATOM 0 HG23 ILE A 56 0.396 -11.369 -1.035 1.00 62.33 H new ATOM 0 HD11 ILE A 56 -2.554 -14.172 0.110 1.00 2.30 H new ATOM 0 HD12 ILE A 56 -1.043 -15.068 -0.180 1.00 2.30 H new ATOM 0 HD13 ILE A 56 -0.992 -13.456 0.574 1.00 2.30 H new ATOM 932 N PRO A 57 2.043 -11.261 -3.958 1.00 24.22 N ATOM 933 CA PRO A 57 3.449 -10.981 -4.304 1.00 11.43 C ATOM 934 C PRO A 57 4.439 -11.488 -3.236 1.00 42.53 C ATOM 935 O PRO A 57 4.454 -11.008 -2.099 1.00 72.55 O ATOM 936 CB PRO A 57 3.494 -9.447 -4.402 1.00 52.05 C ATOM 937 CG PRO A 57 2.358 -8.979 -3.556 1.00 31.41 C ATOM 938 CD PRO A 57 1.280 -10.020 -3.709 1.00 61.11 C ATOM 0 HA PRO A 57 3.748 -11.489 -5.221 1.00 11.43 H new ATOM 0 HB2 PRO A 57 4.445 -9.055 -4.040 1.00 52.05 H new ATOM 0 HB3 PRO A 57 3.383 -9.113 -5.434 1.00 52.05 H new ATOM 0 HG2 PRO A 57 2.661 -8.879 -2.514 1.00 31.41 H new ATOM 0 HG3 PRO A 57 2.006 -8.000 -3.880 1.00 31.41 H new ATOM 0 HD2 PRO A 57 0.665 -10.098 -2.812 1.00 61.11 H new ATOM 0 HD3 PRO A 57 0.609 -9.787 -4.536 1.00 61.11 H new ATOM 946 N ILE A 58 5.257 -12.475 -3.607 1.00 14.44 N ATOM 947 CA ILE A 58 6.281 -13.010 -2.705 1.00 55.04 C ATOM 948 C ILE A 58 7.521 -12.100 -2.679 1.00 72.00 C ATOM 949 O ILE A 58 8.284 -12.035 -3.647 1.00 72.20 O ATOM 950 CB ILE A 58 6.695 -14.453 -3.109 1.00 23.33 C ATOM 951 CG1 ILE A 58 5.467 -15.386 -3.104 1.00 73.44 C ATOM 952 CG2 ILE A 58 7.787 -14.987 -2.180 1.00 72.14 C ATOM 953 CD1 ILE A 58 4.752 -15.460 -1.768 1.00 73.33 C ATOM 0 H ILE A 58 5.231 -12.920 -4.524 1.00 14.44 H new ATOM 0 HA ILE A 58 5.846 -13.043 -1.706 1.00 55.04 H new ATOM 0 HB ILE A 58 7.100 -14.423 -4.120 1.00 23.33 H new ATOM 0 HG12 ILE A 58 4.762 -15.046 -3.863 1.00 73.44 H new ATOM 0 HG13 ILE A 58 5.784 -16.389 -3.390 1.00 73.44 H new ATOM 0 HG21 ILE A 58 8.060 -15.998 -2.483 1.00 72.14 H new ATOM 0 HG22 ILE A 58 8.663 -14.341 -2.240 1.00 72.14 H new ATOM 0 HG23 ILE A 58 7.417 -15.003 -1.155 1.00 72.14 H new ATOM 0 HD11 ILE A 58 3.901 -16.136 -1.848 1.00 73.33 H new ATOM 0 HD12 ILE A 58 5.439 -15.830 -1.007 1.00 73.33 H new ATOM 0 HD13 ILE A 58 4.401 -14.467 -1.487 1.00 73.33 H new ATOM 965 N MET A 59 7.709 -11.392 -1.568 1.00 53.51 N ATOM 966 CA MET A 59 8.815 -10.440 -1.423 1.00 54.42 C ATOM 967 C MET A 59 9.957 -11.066 -0.611 1.00 53.20 C ATOM 968 O MET A 59 9.773 -11.412 0.555 1.00 21.24 O ATOM 969 CB MET A 59 8.317 -9.164 -0.721 1.00 65.31 C ATOM 970 CG MET A 59 9.233 -7.955 -0.890 1.00 71.54 C ATOM 971 SD MET A 59 9.146 -7.261 -2.554 1.00 60.54 S ATOM 972 CE MET A 59 10.032 -5.719 -2.324 1.00 4.41 C ATOM 0 H MET A 59 7.107 -11.458 -0.748 1.00 53.51 H new ATOM 0 HA MET A 59 9.188 -10.185 -2.415 1.00 54.42 H new ATOM 0 HB2 MET A 59 7.329 -8.913 -1.107 1.00 65.31 H new ATOM 0 HB3 MET A 59 8.200 -9.371 0.343 1.00 65.31 H new ATOM 0 HG2 MET A 59 8.959 -7.189 -0.164 1.00 71.54 H new ATOM 0 HG3 MET A 59 10.261 -8.247 -0.673 1.00 71.54 H new ATOM 0 HE1 MET A 59 10.582 -5.476 -3.233 1.00 4.41 H new ATOM 0 HE2 MET A 59 9.323 -4.921 -2.105 1.00 4.41 H new ATOM 0 HE3 MET A 59 10.731 -5.821 -1.494 1.00 4.41 H new ATOM 982 N ALA A 60 11.125 -11.223 -1.231 1.00 60.04 N ATOM 983 CA ALA A 60 12.301 -11.795 -0.554 1.00 14.53 C ATOM 984 C ALA A 60 12.010 -13.178 0.059 1.00 31.21 C ATOM 985 O ALA A 60 12.289 -13.422 1.239 1.00 51.22 O ATOM 986 CB ALA A 60 12.804 -10.831 0.515 1.00 34.43 C ATOM 0 H ALA A 60 11.289 -10.963 -2.204 1.00 60.04 H new ATOM 0 HA ALA A 60 13.076 -11.940 -1.307 1.00 14.53 H new ATOM 0 HB1 ALA A 60 13.674 -11.260 1.012 1.00 34.43 H new ATOM 0 HB2 ALA A 60 13.082 -9.885 0.050 1.00 34.43 H new ATOM 0 HB3 ALA A 60 12.016 -10.658 1.248 1.00 34.43 H new ATOM 992 N LYS A 61 11.441 -14.075 -0.752 1.00 3.33 N ATOM 993 CA LYS A 61 11.156 -15.463 -0.344 1.00 41.45 C ATOM 994 C LYS A 61 10.045 -15.568 0.723 1.00 15.32 C ATOM 995 O LYS A 61 9.739 -16.668 1.191 1.00 20.02 O ATOM 996 CB LYS A 61 12.431 -16.151 0.175 1.00 64.43 C ATOM 997 CG LYS A 61 13.596 -16.153 -0.814 1.00 53.44 C ATOM 998 CD LYS A 61 13.367 -17.119 -1.972 1.00 71.31 C ATOM 999 CE LYS A 61 13.269 -18.568 -1.496 1.00 60.12 C ATOM 1000 NZ LYS A 61 14.483 -18.992 -0.752 1.00 44.43 N ATOM 0 H LYS A 61 11.163 -13.864 -1.711 1.00 3.33 H new ATOM 0 HA LYS A 61 10.796 -15.971 -1.239 1.00 41.45 H new ATOM 0 HB2 LYS A 61 12.750 -15.654 1.091 1.00 64.43 H new ATOM 0 HB3 LYS A 61 12.192 -17.181 0.438 1.00 64.43 H new ATOM 0 HG2 LYS A 61 13.739 -15.146 -1.206 1.00 53.44 H new ATOM 0 HG3 LYS A 61 14.513 -16.425 -0.292 1.00 53.44 H new ATOM 0 HD2 LYS A 61 12.451 -16.847 -2.496 1.00 71.31 H new ATOM 0 HD3 LYS A 61 14.183 -17.027 -2.688 1.00 71.31 H new ATOM 0 HE2 LYS A 61 12.394 -18.681 -0.856 1.00 60.12 H new ATOM 0 HE3 LYS A 61 13.123 -19.223 -2.355 1.00 60.12 H new ATOM 0 HZ1 LYS A 61 14.486 -20.027 -0.654 1.00 44.43 H new ATOM 0 HZ2 LYS A 61 15.332 -18.691 -1.272 1.00 44.43 H new ATOM 0 HZ3 LYS A 61 14.482 -18.555 0.192 1.00 44.43 H new ATOM 1014 N GLN A 62 9.440 -14.443 1.106 1.00 72.12 N ATOM 1015 CA GLN A 62 8.367 -14.452 2.110 1.00 44.23 C ATOM 1016 C GLN A 62 7.129 -13.682 1.624 1.00 42.22 C ATOM 1017 O GLN A 62 7.175 -12.964 0.622 1.00 13.01 O ATOM 1018 CB GLN A 62 8.868 -13.867 3.443 1.00 62.13 C ATOM 1019 CG GLN A 62 9.231 -12.387 3.387 1.00 52.54 C ATOM 1020 CD GLN A 62 9.659 -11.837 4.740 1.00 34.33 C ATOM 1021 OE1 GLN A 62 10.834 -11.854 5.091 1.00 42.24 O ATOM 1022 NE2 GLN A 62 8.711 -11.350 5.516 1.00 33.41 N ATOM 0 H GLN A 62 9.670 -13.519 0.741 1.00 72.12 H new ATOM 0 HA GLN A 62 8.074 -15.490 2.266 1.00 44.23 H new ATOM 0 HB2 GLN A 62 8.098 -14.011 4.201 1.00 62.13 H new ATOM 0 HB3 GLN A 62 9.743 -14.431 3.767 1.00 62.13 H new ATOM 0 HG2 GLN A 62 10.038 -12.242 2.668 1.00 52.54 H new ATOM 0 HG3 GLN A 62 8.374 -11.820 3.023 1.00 52.54 H new ATOM 0 HE21 GLN A 62 7.742 -11.349 5.198 1.00 33.41 H new ATOM 0 HE22 GLN A 62 8.947 -10.974 6.435 1.00 33.41 H new ATOM 1031 N VAL A 63 6.020 -13.841 2.341 1.00 11.12 N ATOM 1032 CA VAL A 63 4.765 -13.162 1.995 1.00 44.04 C ATOM 1033 C VAL A 63 4.772 -11.690 2.451 1.00 45.41 C ATOM 1034 O VAL A 63 5.176 -11.375 3.574 1.00 35.33 O ATOM 1035 CB VAL A 63 3.544 -13.897 2.615 1.00 31.44 C ATOM 1036 CG1 VAL A 63 3.642 -13.948 4.139 1.00 0.04 C ATOM 1037 CG2 VAL A 63 2.234 -13.244 2.175 1.00 13.01 C ATOM 0 H VAL A 63 5.960 -14.435 3.168 1.00 11.12 H new ATOM 0 HA VAL A 63 4.679 -13.185 0.909 1.00 44.04 H new ATOM 0 HB VAL A 63 3.553 -14.923 2.247 1.00 31.44 H new ATOM 0 HG11 VAL A 63 2.773 -14.468 4.542 1.00 0.04 H new ATOM 0 HG12 VAL A 63 4.549 -14.479 4.428 1.00 0.04 H new ATOM 0 HG13 VAL A 63 3.674 -12.933 4.536 1.00 0.04 H new ATOM 0 HG21 VAL A 63 1.394 -13.776 2.622 1.00 13.01 H new ATOM 0 HG22 VAL A 63 2.219 -12.204 2.500 1.00 13.01 H new ATOM 0 HG23 VAL A 63 2.153 -13.286 1.089 1.00 13.01 H new ATOM 1047 N LEU A 64 4.333 -10.790 1.573 1.00 42.22 N ATOM 1048 CA LEU A 64 4.272 -9.358 1.893 1.00 60.25 C ATOM 1049 C LEU A 64 3.038 -9.029 2.754 1.00 42.12 C ATOM 1050 O LEU A 64 1.897 -9.166 2.305 1.00 65.15 O ATOM 1051 CB LEU A 64 4.257 -8.528 0.597 1.00 21.03 C ATOM 1052 CG LEU A 64 4.269 -6.999 0.786 1.00 32.12 C ATOM 1053 CD1 LEU A 64 5.522 -6.554 1.538 1.00 50.54 C ATOM 1054 CD2 LEU A 64 4.169 -6.287 -0.563 1.00 3.33 C ATOM 0 H LEU A 64 4.013 -11.023 0.633 1.00 42.22 H new ATOM 0 HA LEU A 64 5.160 -9.102 2.471 1.00 60.25 H new ATOM 0 HB2 LEU A 64 5.122 -8.809 -0.003 1.00 21.03 H new ATOM 0 HB3 LEU A 64 3.370 -8.798 0.024 1.00 21.03 H new ATOM 0 HG LEU A 64 3.399 -6.725 1.383 1.00 32.12 H new ATOM 0 HD11 LEU A 64 5.508 -5.471 1.659 1.00 50.54 H new ATOM 0 HD12 LEU A 64 5.546 -7.029 2.519 1.00 50.54 H new ATOM 0 HD13 LEU A 64 6.408 -6.844 0.973 1.00 50.54 H new ATOM 0 HD21 LEU A 64 4.179 -5.208 -0.407 1.00 3.33 H new ATOM 0 HD22 LEU A 64 5.016 -6.571 -1.188 1.00 3.33 H new ATOM 0 HD23 LEU A 64 3.241 -6.573 -1.058 1.00 3.33 H new ATOM 1066 N ASP A 65 3.275 -8.604 3.995 1.00 72.23 N ATOM 1067 CA ASP A 65 2.187 -8.248 4.914 1.00 33.32 C ATOM 1068 C ASP A 65 1.488 -6.951 4.456 1.00 53.42 C ATOM 1069 O ASP A 65 1.981 -5.843 4.693 1.00 3.14 O ATOM 1070 CB ASP A 65 2.730 -8.096 6.347 1.00 53.53 C ATOM 1071 CG ASP A 65 1.634 -8.002 7.408 1.00 72.24 C ATOM 1072 OD1 ASP A 65 0.576 -7.396 7.145 1.00 5.50 O ATOM 1073 OD2 ASP A 65 1.825 -8.542 8.516 1.00 55.43 O ATOM 0 H ASP A 65 4.209 -8.497 4.390 1.00 72.23 H new ATOM 0 HA ASP A 65 1.449 -9.050 4.905 1.00 33.32 H new ATOM 0 HB2 ASP A 65 3.373 -8.946 6.575 1.00 53.53 H new ATOM 0 HB3 ASP A 65 3.352 -7.202 6.398 1.00 53.53 H new ATOM 1078 N LEU A 66 0.342 -7.106 3.792 1.00 32.32 N ATOM 1079 CA LEU A 66 -0.427 -5.963 3.276 1.00 65.55 C ATOM 1080 C LEU A 66 -1.001 -5.092 4.408 1.00 35.44 C ATOM 1081 O LEU A 66 -1.155 -3.879 4.250 1.00 60.44 O ATOM 1082 CB LEU A 66 -1.565 -6.453 2.365 1.00 65.34 C ATOM 1083 CG LEU A 66 -1.118 -7.215 1.105 1.00 42.14 C ATOM 1084 CD1 LEU A 66 -2.326 -7.672 0.291 1.00 61.42 C ATOM 1085 CD2 LEU A 66 -0.188 -6.352 0.251 1.00 55.42 C ATOM 0 H LEU A 66 -0.079 -8.014 3.596 1.00 32.32 H new ATOM 0 HA LEU A 66 0.262 -5.345 2.700 1.00 65.55 H new ATOM 0 HB2 LEU A 66 -2.221 -7.100 2.947 1.00 65.34 H new ATOM 0 HB3 LEU A 66 -2.158 -5.592 2.057 1.00 65.34 H new ATOM 0 HG LEU A 66 -0.567 -8.100 1.423 1.00 42.14 H new ATOM 0 HD11 LEU A 66 -1.986 -8.208 -0.595 1.00 61.42 H new ATOM 0 HD12 LEU A 66 -2.946 -8.331 0.899 1.00 61.42 H new ATOM 0 HD13 LEU A 66 -2.910 -6.803 -0.013 1.00 61.42 H new ATOM 0 HD21 LEU A 66 0.116 -6.911 -0.634 1.00 55.42 H new ATOM 0 HD22 LEU A 66 -0.711 -5.445 -0.054 1.00 55.42 H new ATOM 0 HD23 LEU A 66 0.695 -6.084 0.831 1.00 55.42 H new ATOM 1097 N PHE A 67 -1.303 -5.710 5.547 1.00 63.43 N ATOM 1098 CA PHE A 67 -1.871 -4.987 6.691 1.00 35.32 C ATOM 1099 C PHE A 67 -0.852 -3.988 7.264 1.00 34.15 C ATOM 1100 O PHE A 67 -1.156 -2.806 7.457 1.00 4.52 O ATOM 1101 CB PHE A 67 -2.315 -5.984 7.774 1.00 73.44 C ATOM 1102 CG PHE A 67 -2.919 -5.338 9.000 1.00 44.22 C ATOM 1103 CD1 PHE A 67 -4.222 -4.857 8.978 1.00 71.34 C ATOM 1104 CD2 PHE A 67 -2.187 -5.216 10.176 1.00 22.41 C ATOM 1105 CE1 PHE A 67 -4.779 -4.269 10.097 1.00 51.52 C ATOM 1106 CE2 PHE A 67 -2.741 -4.629 11.297 1.00 3.21 C ATOM 1107 CZ PHE A 67 -4.038 -4.156 11.259 1.00 44.15 C ATOM 0 H PHE A 67 -1.166 -6.708 5.706 1.00 63.43 H new ATOM 0 HA PHE A 67 -2.741 -4.425 6.351 1.00 35.32 H new ATOM 0 HB2 PHE A 67 -3.043 -6.671 7.343 1.00 73.44 H new ATOM 0 HB3 PHE A 67 -1.455 -6.580 8.078 1.00 73.44 H new ATOM 0 HD1 PHE A 67 -4.807 -4.944 8.074 1.00 71.34 H new ATOM 0 HD2 PHE A 67 -1.173 -5.585 10.213 1.00 22.41 H new ATOM 0 HE1 PHE A 67 -5.793 -3.898 10.064 1.00 51.52 H new ATOM 0 HE2 PHE A 67 -2.160 -4.540 12.203 1.00 3.21 H new ATOM 0 HZ PHE A 67 -4.473 -3.699 12.135 1.00 44.15 H new ATOM 1117 N MET A 68 0.363 -4.470 7.514 1.00 71.44 N ATOM 1118 CA MET A 68 1.447 -3.615 8.011 1.00 24.34 C ATOM 1119 C MET A 68 1.857 -2.577 6.960 1.00 62.41 C ATOM 1120 O MET A 68 2.045 -1.402 7.277 1.00 33.23 O ATOM 1121 CB MET A 68 2.662 -4.464 8.405 1.00 3.23 C ATOM 1122 CG MET A 68 2.390 -5.418 9.558 1.00 55.24 C ATOM 1123 SD MET A 68 1.880 -4.566 11.066 1.00 63.40 S ATOM 1124 CE MET A 68 3.301 -3.511 11.355 1.00 42.23 C ATOM 0 H MET A 68 0.625 -5.447 7.382 1.00 71.44 H new ATOM 0 HA MET A 68 1.079 -3.088 8.891 1.00 24.34 H new ATOM 0 HB2 MET A 68 2.990 -5.039 7.539 1.00 3.23 H new ATOM 0 HB3 MET A 68 3.484 -3.802 8.678 1.00 3.23 H new ATOM 0 HG2 MET A 68 1.613 -6.123 9.264 1.00 55.24 H new ATOM 0 HG3 MET A 68 3.289 -6.000 9.761 1.00 55.24 H new ATOM 0 HE1 MET A 68 3.294 -3.166 12.389 1.00 42.23 H new ATOM 0 HE2 MET A 68 4.216 -4.073 11.166 1.00 42.23 H new ATOM 0 HE3 MET A 68 3.258 -2.652 10.686 1.00 42.23 H new ATOM 1134 N LEU A 69 1.985 -3.020 5.711 1.00 21.22 N ATOM 1135 CA LEU A 69 2.343 -2.128 4.603 1.00 5.04 C ATOM 1136 C LEU A 69 1.387 -0.926 4.537 1.00 20.04 C ATOM 1137 O LEU A 69 1.817 0.223 4.403 1.00 55.30 O ATOM 1138 CB LEU A 69 2.310 -2.898 3.273 1.00 41.14 C ATOM 1139 CG LEU A 69 2.904 -2.150 2.069 1.00 63.31 C ATOM 1140 CD1 LEU A 69 4.386 -1.877 2.297 1.00 34.43 C ATOM 1141 CD2 LEU A 69 2.687 -2.942 0.782 1.00 42.11 C ATOM 0 H LEU A 69 1.846 -3.993 5.437 1.00 21.22 H new ATOM 0 HA LEU A 69 3.353 -1.756 4.777 1.00 5.04 H new ATOM 0 HB2 LEU A 69 2.851 -3.836 3.401 1.00 41.14 H new ATOM 0 HB3 LEU A 69 1.275 -3.155 3.046 1.00 41.14 H new ATOM 0 HG LEU A 69 2.391 -1.194 1.965 1.00 63.31 H new ATOM 0 HD11 LEU A 69 4.795 -1.347 1.437 1.00 34.43 H new ATOM 0 HD12 LEU A 69 4.510 -1.267 3.192 1.00 34.43 H new ATOM 0 HD13 LEU A 69 4.914 -2.822 2.426 1.00 34.43 H new ATOM 0 HD21 LEU A 69 3.115 -2.395 -0.058 1.00 42.11 H new ATOM 0 HD22 LEU A 69 3.172 -3.914 0.867 1.00 42.11 H new ATOM 0 HD23 LEU A 69 1.619 -3.083 0.617 1.00 42.11 H new ATOM 1153 N TYR A 70 0.086 -1.202 4.648 1.00 53.20 N ATOM 1154 CA TYR A 70 -0.936 -0.152 4.645 1.00 23.11 C ATOM 1155 C TYR A 70 -0.692 0.859 5.779 1.00 54.45 C ATOM 1156 O TYR A 70 -0.739 2.073 5.568 1.00 43.24 O ATOM 1157 CB TYR A 70 -2.334 -0.779 4.780 1.00 64.52 C ATOM 1158 CG TYR A 70 -3.478 0.201 4.576 1.00 1.23 C ATOM 1159 CD1 TYR A 70 -3.876 0.577 3.296 1.00 53.42 C ATOM 1160 CD2 TYR A 70 -4.166 0.740 5.659 1.00 53.43 C ATOM 1161 CE1 TYR A 70 -4.921 1.459 3.102 1.00 12.11 C ATOM 1162 CE2 TYR A 70 -5.212 1.627 5.470 1.00 71.01 C ATOM 1163 CZ TYR A 70 -5.585 1.981 4.190 1.00 72.14 C ATOM 1164 OH TYR A 70 -6.631 2.855 4.000 1.00 73.14 O ATOM 0 H TYR A 70 -0.286 -2.147 4.741 1.00 53.20 H new ATOM 0 HA TYR A 70 -0.875 0.383 3.697 1.00 23.11 H new ATOM 0 HB2 TYR A 70 -2.429 -1.587 4.055 1.00 64.52 H new ATOM 0 HB3 TYR A 70 -2.425 -1.226 5.770 1.00 64.52 H new ATOM 0 HD1 TYR A 70 -3.358 0.172 2.439 1.00 53.42 H new ATOM 0 HD2 TYR A 70 -3.879 0.462 6.663 1.00 53.43 H new ATOM 0 HE1 TYR A 70 -5.216 1.738 2.101 1.00 12.11 H new ATOM 0 HE2 TYR A 70 -5.734 2.040 6.321 1.00 71.01 H new ATOM 0 HH TYR A 70 -6.991 3.129 4.870 1.00 73.14 H new ATOM 1174 N VAL A 71 -0.419 0.347 6.979 1.00 23.05 N ATOM 1175 CA VAL A 71 -0.157 1.199 8.150 1.00 21.13 C ATOM 1176 C VAL A 71 1.095 2.079 7.958 1.00 42.25 C ATOM 1177 O VAL A 71 1.016 3.307 8.049 1.00 5.10 O ATOM 1178 CB VAL A 71 0.010 0.348 9.437 1.00 61.32 C ATOM 1179 CG1 VAL A 71 0.326 1.233 10.646 1.00 73.52 C ATOM 1180 CG2 VAL A 71 -1.240 -0.493 9.696 1.00 54.13 C ATOM 0 H VAL A 71 -0.372 -0.654 7.171 1.00 23.05 H new ATOM 0 HA VAL A 71 -1.024 1.850 8.256 1.00 21.13 H new ATOM 0 HB VAL A 71 0.852 -0.327 9.285 1.00 61.32 H new ATOM 0 HG11 VAL A 71 0.438 0.610 11.534 1.00 73.52 H new ATOM 0 HG12 VAL A 71 1.253 1.778 10.466 1.00 73.52 H new ATOM 0 HG13 VAL A 71 -0.487 1.942 10.800 1.00 73.52 H new ATOM 0 HG21 VAL A 71 -1.101 -1.082 10.603 1.00 54.13 H new ATOM 0 HG22 VAL A 71 -2.101 0.164 9.818 1.00 54.13 H new ATOM 0 HG23 VAL A 71 -1.410 -1.162 8.852 1.00 54.13 H new ATOM 1190 N LEU A 72 2.237 1.445 7.673 1.00 21.52 N ATOM 1191 CA LEU A 72 3.520 2.158 7.527 1.00 24.22 C ATOM 1192 C LEU A 72 3.478 3.237 6.430 1.00 23.14 C ATOM 1193 O LEU A 72 4.184 4.244 6.516 1.00 2.31 O ATOM 1194 CB LEU A 72 4.662 1.162 7.241 1.00 5.31 C ATOM 1195 CG LEU A 72 5.265 0.453 8.471 1.00 22.31 C ATOM 1196 CD1 LEU A 72 5.918 1.463 9.412 1.00 73.33 C ATOM 1197 CD2 LEU A 72 4.212 -0.370 9.211 1.00 24.11 C ATOM 0 H LEU A 72 2.304 0.436 7.538 1.00 21.52 H new ATOM 0 HA LEU A 72 3.705 2.665 8.474 1.00 24.22 H new ATOM 0 HB2 LEU A 72 4.291 0.402 6.554 1.00 5.31 H new ATOM 0 HB3 LEU A 72 5.461 1.694 6.725 1.00 5.31 H new ATOM 0 HG LEU A 72 6.033 -0.233 8.114 1.00 22.31 H new ATOM 0 HD11 LEU A 72 6.337 0.941 10.272 1.00 73.33 H new ATOM 0 HD12 LEU A 72 6.714 1.990 8.885 1.00 73.33 H new ATOM 0 HD13 LEU A 72 5.171 2.180 9.751 1.00 73.33 H new ATOM 0 HD21 LEU A 72 4.670 -0.857 10.072 1.00 24.11 H new ATOM 0 HD22 LEU A 72 3.409 0.285 9.549 1.00 24.11 H new ATOM 0 HD23 LEU A 72 3.805 -1.127 8.541 1.00 24.11 H new ATOM 1209 N VAL A 73 2.663 3.022 5.400 1.00 3.21 N ATOM 1210 CA VAL A 73 2.507 4.004 4.318 1.00 63.21 C ATOM 1211 C VAL A 73 1.536 5.136 4.704 1.00 52.35 C ATOM 1212 O VAL A 73 1.885 6.318 4.628 1.00 74.11 O ATOM 1213 CB VAL A 73 2.025 3.319 3.011 1.00 53.30 C ATOM 1214 CG1 VAL A 73 1.691 4.346 1.926 1.00 34.15 C ATOM 1215 CG2 VAL A 73 3.083 2.335 2.512 1.00 21.51 C ATOM 0 H VAL A 73 2.099 2.179 5.287 1.00 3.21 H new ATOM 0 HA VAL A 73 3.489 4.445 4.147 1.00 63.21 H new ATOM 0 HB VAL A 73 1.109 2.772 3.237 1.00 53.30 H new ATOM 0 HG11 VAL A 73 1.357 3.829 1.026 1.00 34.15 H new ATOM 0 HG12 VAL A 73 0.899 5.005 2.281 1.00 34.15 H new ATOM 0 HG13 VAL A 73 2.579 4.936 1.698 1.00 34.15 H new ATOM 0 HG21 VAL A 73 2.735 1.860 1.595 1.00 21.51 H new ATOM 0 HG22 VAL A 73 4.012 2.869 2.314 1.00 21.51 H new ATOM 0 HG23 VAL A 73 3.258 1.573 3.271 1.00 21.51 H new ATOM 1225 N THR A 74 0.326 4.776 5.135 1.00 54.24 N ATOM 1226 CA THR A 74 -0.705 5.776 5.476 1.00 65.44 C ATOM 1227 C THR A 74 -0.250 6.723 6.597 1.00 51.21 C ATOM 1228 O THR A 74 -0.496 7.927 6.532 1.00 63.30 O ATOM 1229 CB THR A 74 -2.043 5.119 5.894 1.00 22.01 C ATOM 1230 OG1 THR A 74 -1.825 4.190 6.969 1.00 23.21 O ATOM 1231 CG2 THR A 74 -2.692 4.399 4.715 1.00 63.15 C ATOM 0 H THR A 74 0.030 3.808 5.258 1.00 54.24 H new ATOM 0 HA THR A 74 -0.860 6.352 4.564 1.00 65.44 H new ATOM 0 HB THR A 74 -2.715 5.909 6.229 1.00 22.01 H new ATOM 0 HG1 THR A 74 -1.418 3.371 6.616 1.00 23.21 H new ATOM 0 HG21 THR A 74 -3.630 3.947 5.037 1.00 63.15 H new ATOM 0 HG22 THR A 74 -2.889 5.114 3.916 1.00 63.15 H new ATOM 0 HG23 THR A 74 -2.021 3.622 4.349 1.00 63.15 H new ATOM 1239 N GLU A 75 0.431 6.183 7.609 1.00 52.52 N ATOM 1240 CA GLU A 75 0.918 6.997 8.739 1.00 35.14 C ATOM 1241 C GLU A 75 1.803 8.165 8.263 1.00 23.32 C ATOM 1242 O GLU A 75 1.807 9.241 8.865 1.00 25.14 O ATOM 1243 CB GLU A 75 1.713 6.130 9.729 1.00 24.44 C ATOM 1244 CG GLU A 75 2.974 5.514 9.131 1.00 4.54 C ATOM 1245 CD GLU A 75 3.862 4.834 10.161 1.00 74.15 C ATOM 1246 OE1 GLU A 75 3.472 3.773 10.683 1.00 14.11 O ATOM 1247 OE2 GLU A 75 4.967 5.359 10.436 1.00 53.10 O ATOM 0 H GLU A 75 0.660 5.191 7.675 1.00 52.52 H new ATOM 0 HA GLU A 75 0.040 7.409 9.236 1.00 35.14 H new ATOM 0 HB2 GLU A 75 1.990 6.739 10.590 1.00 24.44 H new ATOM 0 HB3 GLU A 75 1.069 5.331 10.097 1.00 24.44 H new ATOM 0 HG2 GLU A 75 2.689 4.786 8.371 1.00 4.54 H new ATOM 0 HG3 GLU A 75 3.546 6.293 8.627 1.00 4.54 H new ATOM 1254 N LYS A 76 2.546 7.944 7.176 1.00 45.31 N ATOM 1255 CA LYS A 76 3.454 8.963 6.635 1.00 4.41 C ATOM 1256 C LYS A 76 2.678 10.139 6.018 1.00 53.22 C ATOM 1257 O LYS A 76 3.191 11.256 5.936 1.00 23.51 O ATOM 1258 CB LYS A 76 4.379 8.340 5.579 1.00 14.24 C ATOM 1259 CG LYS A 76 5.205 7.151 6.075 1.00 72.53 C ATOM 1260 CD LYS A 76 6.105 7.515 7.259 1.00 72.34 C ATOM 1261 CE LYS A 76 7.051 6.372 7.629 1.00 32.03 C ATOM 1262 NZ LYS A 76 6.318 5.123 7.973 1.00 53.22 N ATOM 0 H LYS A 76 2.538 7.069 6.652 1.00 45.31 H new ATOM 0 HA LYS A 76 4.052 9.348 7.462 1.00 4.41 H new ATOM 0 HB2 LYS A 76 3.775 8.017 4.731 1.00 14.24 H new ATOM 0 HB3 LYS A 76 5.058 9.109 5.211 1.00 14.24 H new ATOM 0 HG2 LYS A 76 4.534 6.344 6.368 1.00 72.53 H new ATOM 0 HG3 LYS A 76 5.820 6.774 5.258 1.00 72.53 H new ATOM 0 HD2 LYS A 76 6.687 8.403 7.013 1.00 72.34 H new ATOM 0 HD3 LYS A 76 5.487 7.768 8.120 1.00 72.34 H new ATOM 0 HE2 LYS A 76 7.726 6.177 6.795 1.00 32.03 H new ATOM 0 HE3 LYS A 76 7.668 6.673 8.475 1.00 32.03 H new ATOM 0 HZ1 LYS A 76 6.988 4.329 8.018 1.00 53.22 H new ATOM 0 HZ2 LYS A 76 5.853 5.236 8.896 1.00 53.22 H new ATOM 0 HZ3 LYS A 76 5.600 4.930 7.245 1.00 53.22 H new ATOM 1276 N GLY A 77 1.434 9.884 5.608 1.00 12.15 N ATOM 1277 CA GLY A 77 0.619 10.915 4.966 1.00 23.02 C ATOM 1278 C GLY A 77 0.055 10.486 3.613 1.00 30.31 C ATOM 1279 O GLY A 77 -0.317 11.328 2.795 1.00 52.14 O ATOM 0 H GLY A 77 0.973 8.980 5.708 1.00 12.15 H new ATOM 0 HA2 GLY A 77 -0.206 11.180 5.628 1.00 23.02 H new ATOM 0 HA3 GLY A 77 1.222 11.813 4.832 1.00 23.02 H new ATOM 1283 N GLY A 78 -0.006 9.177 3.373 1.00 33.15 N ATOM 1284 CA GLY A 78 -0.578 8.661 2.130 1.00 42.24 C ATOM 1285 C GLY A 78 0.457 8.063 1.180 1.00 54.13 C ATOM 1286 O GLY A 78 1.661 8.269 1.343 1.00 3.54 O ATOM 0 H GLY A 78 0.330 8.460 4.016 1.00 33.15 H new ATOM 0 HA2 GLY A 78 -1.320 7.900 2.370 1.00 42.24 H new ATOM 0 HA3 GLY A 78 -1.103 9.468 1.619 1.00 42.24 H new ATOM 1290 N LEU A 79 -0.024 7.327 0.176 1.00 2.11 N ATOM 1291 CA LEU A 79 0.846 6.681 -0.819 1.00 63.52 C ATOM 1292 C LEU A 79 1.751 7.694 -1.542 1.00 0.03 C ATOM 1293 O LEU A 79 2.969 7.515 -1.608 1.00 20.13 O ATOM 1294 CB LEU A 79 -0.009 5.911 -1.843 1.00 3.22 C ATOM 1295 CG LEU A 79 0.765 5.237 -2.992 1.00 53.54 C ATOM 1296 CD1 LEU A 79 1.783 4.231 -2.457 1.00 12.12 C ATOM 1297 CD2 LEU A 79 -0.197 4.560 -3.965 1.00 75.51 C ATOM 0 H LEU A 79 -1.019 7.160 0.027 1.00 2.11 H new ATOM 0 HA LEU A 79 1.495 5.986 -0.286 1.00 63.52 H new ATOM 0 HB2 LEU A 79 -0.574 5.145 -1.313 1.00 3.22 H new ATOM 0 HB3 LEU A 79 -0.734 6.601 -2.274 1.00 3.22 H new ATOM 0 HG LEU A 79 1.310 6.014 -3.528 1.00 53.54 H new ATOM 0 HD11 LEU A 79 2.314 3.772 -3.291 1.00 12.12 H new ATOM 0 HD12 LEU A 79 2.496 4.743 -1.811 1.00 12.12 H new ATOM 0 HD13 LEU A 79 1.266 3.459 -1.886 1.00 12.12 H new ATOM 0 HD21 LEU A 79 0.369 4.090 -4.769 1.00 75.51 H new ATOM 0 HD22 LEU A 79 -0.775 3.802 -3.437 1.00 75.51 H new ATOM 0 HD23 LEU A 79 -0.874 5.304 -4.385 1.00 75.51 H new ATOM 1309 N VAL A 80 1.153 8.758 -2.075 1.00 24.33 N ATOM 1310 CA VAL A 80 1.901 9.770 -2.832 1.00 5.12 C ATOM 1311 C VAL A 80 2.943 10.480 -1.957 1.00 31.31 C ATOM 1312 O VAL A 80 4.072 10.725 -2.393 1.00 34.24 O ATOM 1313 CB VAL A 80 0.946 10.811 -3.461 1.00 41.30 C ATOM 1314 CG1 VAL A 80 1.721 11.898 -4.205 1.00 4.34 C ATOM 1315 CG2 VAL A 80 -0.038 10.113 -4.392 1.00 22.12 C ATOM 0 H VAL A 80 0.153 8.945 -1.999 1.00 24.33 H new ATOM 0 HA VAL A 80 2.427 9.245 -3.629 1.00 5.12 H new ATOM 0 HB VAL A 80 0.391 11.298 -2.660 1.00 41.30 H new ATOM 0 HG11 VAL A 80 1.021 12.614 -4.636 1.00 4.34 H new ATOM 0 HG12 VAL A 80 2.385 12.412 -3.510 1.00 4.34 H new ATOM 0 HG13 VAL A 80 2.311 11.444 -5.001 1.00 4.34 H new ATOM 0 HG21 VAL A 80 -0.708 10.851 -4.832 1.00 22.12 H new ATOM 0 HG22 VAL A 80 0.510 9.602 -5.184 1.00 22.12 H new ATOM 0 HG23 VAL A 80 -0.620 9.386 -3.827 1.00 22.12 H new ATOM 1325 N GLU A 81 2.563 10.799 -0.720 1.00 64.24 N ATOM 1326 CA GLU A 81 3.497 11.373 0.255 1.00 53.41 C ATOM 1327 C GLU A 81 4.755 10.498 0.377 1.00 4.41 C ATOM 1328 O GLU A 81 5.877 10.985 0.259 1.00 62.43 O ATOM 1329 CB GLU A 81 2.820 11.514 1.629 1.00 54.40 C ATOM 1330 CG GLU A 81 3.747 12.012 2.742 1.00 53.12 C ATOM 1331 CD GLU A 81 4.188 13.459 2.564 1.00 63.04 C ATOM 1332 OE1 GLU A 81 5.099 13.719 1.745 1.00 14.20 O ATOM 1333 OE2 GLU A 81 3.643 14.345 3.258 1.00 33.24 O ATOM 0 H GLU A 81 1.615 10.670 -0.367 1.00 64.24 H new ATOM 0 HA GLU A 81 3.791 12.362 -0.096 1.00 53.41 H new ATOM 0 HB2 GLU A 81 1.980 12.202 1.538 1.00 54.40 H new ATOM 0 HB3 GLU A 81 2.410 10.547 1.920 1.00 54.40 H new ATOM 0 HG2 GLU A 81 3.238 11.911 3.700 1.00 53.12 H new ATOM 0 HG3 GLU A 81 4.630 11.374 2.781 1.00 53.12 H new ATOM 1340 N VAL A 82 4.550 9.197 0.588 1.00 12.33 N ATOM 1341 CA VAL A 82 5.654 8.234 0.683 1.00 31.14 C ATOM 1342 C VAL A 82 6.533 8.246 -0.584 1.00 52.04 C ATOM 1343 O VAL A 82 7.765 8.185 -0.502 1.00 40.22 O ATOM 1344 CB VAL A 82 5.113 6.801 0.935 1.00 10.11 C ATOM 1345 CG1 VAL A 82 6.230 5.760 0.889 1.00 30.54 C ATOM 1346 CG2 VAL A 82 4.377 6.741 2.272 1.00 21.11 C ATOM 0 H VAL A 82 3.625 8.782 0.697 1.00 12.33 H new ATOM 0 HA VAL A 82 6.273 8.537 1.528 1.00 31.14 H new ATOM 0 HB VAL A 82 4.412 6.564 0.135 1.00 10.11 H new ATOM 0 HG11 VAL A 82 5.812 4.770 1.070 1.00 30.54 H new ATOM 0 HG12 VAL A 82 6.706 5.780 -0.092 1.00 30.54 H new ATOM 0 HG13 VAL A 82 6.971 5.987 1.656 1.00 30.54 H new ATOM 0 HG21 VAL A 82 4.003 5.731 2.436 1.00 21.11 H new ATOM 0 HG22 VAL A 82 5.062 7.010 3.077 1.00 21.11 H new ATOM 0 HG23 VAL A 82 3.541 7.440 2.259 1.00 21.11 H new ATOM 1356 N ILE A 83 5.895 8.345 -1.749 1.00 13.24 N ATOM 1357 CA ILE A 83 6.614 8.406 -3.029 1.00 1.43 C ATOM 1358 C ILE A 83 7.488 9.672 -3.121 1.00 54.35 C ATOM 1359 O ILE A 83 8.622 9.624 -3.596 1.00 22.11 O ATOM 1360 CB ILE A 83 5.629 8.369 -4.230 1.00 34.34 C ATOM 1361 CG1 ILE A 83 4.766 7.095 -4.178 1.00 22.42 C ATOM 1362 CG2 ILE A 83 6.384 8.452 -5.560 1.00 54.10 C ATOM 1363 CD1 ILE A 83 3.695 7.037 -5.250 1.00 32.11 C ATOM 0 H ILE A 83 4.880 8.385 -1.837 1.00 13.24 H new ATOM 0 HA ILE A 83 7.259 7.529 -3.074 1.00 1.43 H new ATOM 0 HB ILE A 83 4.973 9.237 -4.159 1.00 34.34 H new ATOM 0 HG12 ILE A 83 5.414 6.224 -4.277 1.00 22.42 H new ATOM 0 HG13 ILE A 83 4.291 7.029 -3.199 1.00 22.42 H new ATOM 0 HG21 ILE A 83 5.672 8.424 -6.385 1.00 54.10 H new ATOM 0 HG22 ILE A 83 6.949 9.383 -5.600 1.00 54.10 H new ATOM 0 HG23 ILE A 83 7.069 7.608 -5.643 1.00 54.10 H new ATOM 0 HD11 ILE A 83 3.129 6.111 -5.149 1.00 32.11 H new ATOM 0 HD12 ILE A 83 3.023 7.888 -5.139 1.00 32.11 H new ATOM 0 HD13 ILE A 83 4.163 7.070 -6.234 1.00 32.11 H new ATOM 1375 N ASN A 84 6.952 10.801 -2.658 1.00 33.45 N ATOM 1376 CA ASN A 84 7.695 12.070 -2.653 1.00 65.00 C ATOM 1377 C ASN A 84 8.733 12.120 -1.514 1.00 54.12 C ATOM 1378 O ASN A 84 9.755 12.799 -1.620 1.00 45.13 O ATOM 1379 CB ASN A 84 6.720 13.247 -2.537 1.00 5.12 C ATOM 1380 CG ASN A 84 5.821 13.370 -3.756 1.00 24.24 C ATOM 1381 OD1 ASN A 84 6.216 13.049 -4.872 1.00 62.14 O ATOM 1382 ND2 ASN A 84 4.607 13.838 -3.557 1.00 33.32 N ATOM 0 H ASN A 84 6.007 10.867 -2.281 1.00 33.45 H new ATOM 0 HA ASN A 84 8.239 12.143 -3.595 1.00 65.00 H new ATOM 0 HB2 ASN A 84 6.105 13.121 -1.646 1.00 5.12 H new ATOM 0 HB3 ASN A 84 7.283 14.171 -2.408 1.00 5.12 H new ATOM 0 HD21 ASN A 84 3.965 13.942 -4.343 1.00 33.32 H new ATOM 0 HD22 ASN A 84 4.308 14.096 -2.617 1.00 33.32 H new ATOM 1389 N LYS A 85 8.463 11.400 -0.425 1.00 52.22 N ATOM 1390 CA LYS A 85 9.405 11.301 0.702 1.00 63.10 C ATOM 1391 C LYS A 85 10.581 10.361 0.378 1.00 24.11 C ATOM 1392 O LYS A 85 11.608 10.389 1.055 1.00 41.24 O ATOM 1393 CB LYS A 85 8.679 10.782 1.954 1.00 62.23 C ATOM 1394 CG LYS A 85 7.725 11.770 2.630 1.00 4.23 C ATOM 1395 CD LYS A 85 8.460 12.850 3.429 1.00 54.03 C ATOM 1396 CE LYS A 85 8.774 14.083 2.594 1.00 64.34 C ATOM 1397 NZ LYS A 85 7.538 14.788 2.163 1.00 13.15 N ATOM 0 H LYS A 85 7.599 10.874 -0.295 1.00 52.22 H new ATOM 0 HA LYS A 85 9.800 12.300 0.885 1.00 63.10 H new ATOM 0 HB2 LYS A 85 8.114 9.891 1.680 1.00 62.23 H new ATOM 0 HB3 LYS A 85 9.428 10.473 2.683 1.00 62.23 H new ATOM 0 HG2 LYS A 85 7.103 12.245 1.871 1.00 4.23 H new ATOM 0 HG3 LYS A 85 7.055 11.225 3.295 1.00 4.23 H new ATOM 0 HD2 LYS A 85 7.851 13.141 4.285 1.00 54.03 H new ATOM 0 HD3 LYS A 85 9.388 12.437 3.823 1.00 54.03 H new ATOM 0 HE2 LYS A 85 9.398 14.764 3.172 1.00 64.34 H new ATOM 0 HE3 LYS A 85 9.350 13.790 1.716 1.00 64.34 H new ATOM 0 HZ1 LYS A 85 7.579 14.965 1.139 1.00 13.15 H new ATOM 0 HZ2 LYS A 85 6.709 14.199 2.380 1.00 13.15 H new ATOM 0 HZ3 LYS A 85 7.461 15.694 2.668 1.00 13.15 H new ATOM 1411 N LYS A 86 10.408 9.526 -0.653 1.00 61.52 N ATOM 1412 CA LYS A 86 11.452 8.587 -1.108 1.00 31.33 C ATOM 1413 C LYS A 86 11.878 7.606 0.008 1.00 1.30 C ATOM 1414 O LYS A 86 12.864 6.883 -0.132 1.00 42.20 O ATOM 1415 CB LYS A 86 12.685 9.362 -1.616 1.00 10.15 C ATOM 1416 CG LYS A 86 12.359 10.508 -2.576 1.00 4.12 C ATOM 1417 CD LYS A 86 11.702 10.026 -3.866 1.00 45.51 C ATOM 1418 CE LYS A 86 11.223 11.196 -4.724 1.00 32.33 C ATOM 1419 NZ LYS A 86 12.343 12.073 -5.161 1.00 34.32 N ATOM 0 H LYS A 86 9.546 9.478 -1.196 1.00 61.52 H new ATOM 0 HA LYS A 86 11.025 8.002 -1.922 1.00 31.33 H new ATOM 0 HB2 LYS A 86 13.225 9.765 -0.759 1.00 10.15 H new ATOM 0 HB3 LYS A 86 13.357 8.665 -2.117 1.00 10.15 H new ATOM 0 HG2 LYS A 86 11.697 11.216 -2.078 1.00 4.12 H new ATOM 0 HG3 LYS A 86 13.276 11.045 -2.819 1.00 4.12 H new ATOM 0 HD2 LYS A 86 12.412 9.424 -4.434 1.00 45.51 H new ATOM 0 HD3 LYS A 86 10.857 9.380 -3.626 1.00 45.51 H new ATOM 0 HE2 LYS A 86 10.703 10.811 -5.601 1.00 32.33 H new ATOM 0 HE3 LYS A 86 10.502 11.786 -4.159 1.00 32.33 H new ATOM 0 HZ1 LYS A 86 11.978 12.812 -5.795 1.00 34.32 H new ATOM 0 HZ2 LYS A 86 12.782 12.516 -4.329 1.00 34.32 H new ATOM 0 HZ3 LYS A 86 13.053 11.504 -5.665 1.00 34.32 H new ATOM 1433 N LEU A 87 11.108 7.549 1.096 1.00 52.03 N ATOM 1434 CA LEU A 87 11.530 6.819 2.303 1.00 21.24 C ATOM 1435 C LEU A 87 11.112 5.331 2.276 1.00 43.15 C ATOM 1436 O LEU A 87 11.006 4.689 3.322 1.00 1.51 O ATOM 1437 CB LEU A 87 10.990 7.529 3.567 1.00 53.44 C ATOM 1438 CG LEU A 87 9.553 7.186 4.014 1.00 13.42 C ATOM 1439 CD1 LEU A 87 9.161 8.025 5.226 1.00 73.30 C ATOM 1440 CD2 LEU A 87 8.549 7.381 2.884 1.00 3.42 C ATOM 0 H LEU A 87 10.194 7.995 1.171 1.00 52.03 H new ATOM 0 HA LEU A 87 12.620 6.828 2.327 1.00 21.24 H new ATOM 0 HB2 LEU A 87 11.663 7.303 4.394 1.00 53.44 H new ATOM 0 HB3 LEU A 87 11.043 8.605 3.398 1.00 53.44 H new ATOM 0 HG LEU A 87 9.535 6.132 4.291 1.00 13.42 H new ATOM 0 HD11 LEU A 87 8.145 7.772 5.530 1.00 73.30 H new ATOM 0 HD12 LEU A 87 9.847 7.820 6.048 1.00 73.30 H new ATOM 0 HD13 LEU A 87 9.210 9.083 4.967 1.00 73.30 H new ATOM 0 HD21 LEU A 87 7.549 7.129 3.238 1.00 3.42 H new ATOM 0 HD22 LEU A 87 8.567 8.421 2.557 1.00 3.42 H new ATOM 0 HD23 LEU A 87 8.812 6.733 2.048 1.00 3.42 H new ATOM 1452 N TRP A 88 10.922 4.770 1.076 1.00 42.50 N ATOM 1453 CA TRP A 88 10.581 3.341 0.933 1.00 14.22 C ATOM 1454 C TRP A 88 11.612 2.441 1.641 1.00 34.45 C ATOM 1455 O TRP A 88 11.310 1.309 2.027 1.00 61.13 O ATOM 1456 CB TRP A 88 10.469 2.949 -0.549 1.00 43.53 C ATOM 1457 CG TRP A 88 9.278 3.544 -1.249 1.00 71.04 C ATOM 1458 CD1 TRP A 88 9.277 4.573 -2.150 1.00 51.11 C ATOM 1459 CD2 TRP A 88 7.911 3.136 -1.109 1.00 41.04 C ATOM 1460 NE1 TRP A 88 7.995 4.830 -2.572 1.00 1.04 N ATOM 1461 CE2 TRP A 88 7.139 3.961 -1.950 1.00 60.21 C ATOM 1462 CE3 TRP A 88 7.265 2.153 -0.354 1.00 52.33 C ATOM 1463 CZ2 TRP A 88 5.756 3.830 -2.056 1.00 61.11 C ATOM 1464 CZ3 TRP A 88 5.893 2.024 -0.459 1.00 75.13 C ATOM 1465 CH2 TRP A 88 5.151 2.859 -1.305 1.00 10.45 C ATOM 0 H TRP A 88 10.997 5.275 0.193 1.00 42.50 H new ATOM 0 HA TRP A 88 9.613 3.190 1.410 1.00 14.22 H new ATOM 0 HB2 TRP A 88 11.376 3.262 -1.067 1.00 43.53 H new ATOM 0 HB3 TRP A 88 10.417 1.863 -0.624 1.00 43.53 H new ATOM 0 HD1 TRP A 88 10.156 5.106 -2.481 1.00 51.11 H new ATOM 0 HE1 TRP A 88 7.725 5.551 -3.240 1.00 1.04 H new ATOM 0 HE3 TRP A 88 7.829 1.505 0.301 1.00 52.33 H new ATOM 0 HZ2 TRP A 88 5.182 4.472 -2.708 1.00 61.11 H new ATOM 0 HZ3 TRP A 88 5.385 1.267 0.120 1.00 75.13 H new ATOM 0 HH2 TRP A 88 4.080 2.734 -1.366 1.00 10.45 H new ATOM 1476 N ARG A 89 12.832 2.953 1.800 1.00 73.45 N ATOM 1477 CA ARG A 89 13.878 2.266 2.570 1.00 13.52 C ATOM 1478 C ARG A 89 13.441 2.013 4.028 1.00 64.00 C ATOM 1479 O ARG A 89 13.747 0.967 4.605 1.00 14.34 O ATOM 1480 CB ARG A 89 15.173 3.096 2.529 1.00 43.31 C ATOM 1481 CG ARG A 89 14.998 4.546 2.990 1.00 33.50 C ATOM 1482 CD ARG A 89 16.244 5.389 2.730 1.00 21.53 C ATOM 1483 NE ARG A 89 17.405 4.917 3.480 1.00 65.31 N ATOM 1484 CZ ARG A 89 18.556 5.531 3.511 1.00 52.40 C ATOM 1485 NH1 ARG A 89 18.744 6.621 2.839 1.00 21.24 N ATOM 1486 NH2 ARG A 89 19.525 5.041 4.210 1.00 43.04 N ATOM 0 H ARG A 89 13.125 3.846 1.405 1.00 73.45 H new ATOM 0 HA ARG A 89 14.055 1.292 2.114 1.00 13.52 H new ATOM 0 HB2 ARG A 89 15.922 2.614 3.157 1.00 43.31 H new ATOM 0 HB3 ARG A 89 15.562 3.094 1.511 1.00 43.31 H new ATOM 0 HG2 ARG A 89 14.147 4.990 2.473 1.00 33.50 H new ATOM 0 HG3 ARG A 89 14.767 4.561 4.055 1.00 33.50 H new ATOM 0 HD2 ARG A 89 16.473 5.374 1.664 1.00 21.53 H new ATOM 0 HD3 ARG A 89 16.040 6.426 2.997 1.00 21.53 H new ATOM 0 HE ARG A 89 17.310 4.053 4.013 1.00 65.31 H new ATOM 0 HH11 ARG A 89 17.987 7.010 2.276 1.00 21.24 H new ATOM 0 HH12 ARG A 89 19.649 7.091 2.872 1.00 21.24 H new ATOM 0 HH21 ARG A 89 19.389 4.177 4.735 1.00 43.04 H new ATOM 0 HH22 ARG A 89 20.426 5.518 4.237 1.00 43.04 H new ATOM 1500 N GLU A 90 12.720 2.970 4.616 1.00 3.30 N ATOM 1501 CA GLU A 90 12.212 2.825 5.987 1.00 53.22 C ATOM 1502 C GLU A 90 11.043 1.826 6.017 1.00 54.10 C ATOM 1503 O GLU A 90 10.906 1.043 6.954 1.00 73.54 O ATOM 1504 CB GLU A 90 11.797 4.208 6.558 1.00 2.42 C ATOM 1505 CG GLU A 90 10.299 4.526 6.519 1.00 63.21 C ATOM 1506 CD GLU A 90 9.539 3.978 7.722 1.00 52.33 C ATOM 1507 OE1 GLU A 90 10.065 4.071 8.852 1.00 35.32 O ATOM 1508 OE2 GLU A 90 8.414 3.473 7.546 1.00 52.44 O ATOM 0 H GLU A 90 12.474 3.853 4.168 1.00 3.30 H new ATOM 0 HA GLU A 90 13.005 2.430 6.622 1.00 53.22 H new ATOM 0 HB2 GLU A 90 12.135 4.268 7.593 1.00 2.42 H new ATOM 0 HB3 GLU A 90 12.328 4.982 6.004 1.00 2.42 H new ATOM 0 HG2 GLU A 90 10.164 5.607 6.473 1.00 63.21 H new ATOM 0 HG3 GLU A 90 9.870 4.112 5.606 1.00 63.21 H new ATOM 1515 N ILE A 91 10.215 1.855 4.966 1.00 61.12 N ATOM 1516 CA ILE A 91 9.064 0.947 4.843 1.00 23.45 C ATOM 1517 C ILE A 91 9.515 -0.524 4.851 1.00 32.12 C ATOM 1518 O ILE A 91 8.990 -1.344 5.606 1.00 45.44 O ATOM 1519 CB ILE A 91 8.259 1.230 3.543 1.00 42.22 C ATOM 1520 CG1 ILE A 91 7.818 2.705 3.486 1.00 40.41 C ATOM 1521 CG2 ILE A 91 7.049 0.301 3.440 1.00 21.01 C ATOM 1522 CD1 ILE A 91 6.894 3.128 4.612 1.00 74.10 C ATOM 0 H ILE A 91 10.320 2.501 4.183 1.00 61.12 H new ATOM 0 HA ILE A 91 8.421 1.128 5.704 1.00 23.45 H new ATOM 0 HB ILE A 91 8.911 1.035 2.691 1.00 42.22 H new ATOM 0 HG12 ILE A 91 8.705 3.338 3.504 1.00 40.41 H new ATOM 0 HG13 ILE A 91 7.317 2.885 2.535 1.00 40.41 H new ATOM 0 HG21 ILE A 91 6.501 0.517 2.523 1.00 21.01 H new ATOM 0 HG22 ILE A 91 7.386 -0.735 3.425 1.00 21.01 H new ATOM 0 HG23 ILE A 91 6.396 0.458 4.298 1.00 21.01 H new ATOM 0 HD11 ILE A 91 6.634 4.180 4.494 1.00 74.10 H new ATOM 0 HD12 ILE A 91 5.987 2.524 4.584 1.00 74.10 H new ATOM 0 HD13 ILE A 91 7.396 2.984 5.569 1.00 74.10 H new ATOM 1534 N THR A 92 10.499 -0.847 4.011 1.00 3.44 N ATOM 1535 CA THR A 92 11.070 -2.204 3.969 1.00 75.34 C ATOM 1536 C THR A 92 11.616 -2.628 5.335 1.00 51.14 C ATOM 1537 O THR A 92 11.260 -3.689 5.854 1.00 12.03 O ATOM 1538 CB THR A 92 12.209 -2.328 2.926 1.00 4.14 C ATOM 1539 OG1 THR A 92 13.125 -1.233 3.059 1.00 73.01 O ATOM 1540 CG2 THR A 92 11.660 -2.376 1.506 1.00 0.22 C ATOM 0 H THR A 92 10.920 -0.194 3.350 1.00 3.44 H new ATOM 0 HA THR A 92 10.250 -2.861 3.681 1.00 75.34 H new ATOM 0 HB THR A 92 12.735 -3.263 3.118 1.00 4.14 H new ATOM 0 HG1 THR A 92 13.841 -1.323 2.396 1.00 73.01 H new ATOM 0 HG21 THR A 92 12.485 -2.463 0.800 1.00 0.22 H new ATOM 0 HG22 THR A 92 10.999 -3.237 1.400 1.00 0.22 H new ATOM 0 HG23 THR A 92 11.102 -1.463 1.301 1.00 0.22 H new ATOM 1548 N LYS A 93 12.477 -1.799 5.916 1.00 11.51 N ATOM 1549 CA LYS A 93 13.076 -2.106 7.218 1.00 44.21 C ATOM 1550 C LYS A 93 12.000 -2.206 8.319 1.00 22.14 C ATOM 1551 O LYS A 93 12.123 -3.008 9.250 1.00 63.32 O ATOM 1552 CB LYS A 93 14.121 -1.043 7.588 1.00 1.24 C ATOM 1553 CG LYS A 93 15.088 -1.495 8.679 1.00 33.40 C ATOM 1554 CD LYS A 93 15.973 -2.649 8.203 1.00 51.34 C ATOM 1555 CE LYS A 93 16.847 -3.201 9.323 1.00 23.53 C ATOM 1556 NZ LYS A 93 17.722 -2.157 9.923 1.00 15.34 N ATOM 0 H LYS A 93 12.777 -0.912 5.511 1.00 11.51 H new ATOM 0 HA LYS A 93 13.569 -3.075 7.141 1.00 44.21 H new ATOM 0 HB2 LYS A 93 14.689 -0.778 6.697 1.00 1.24 H new ATOM 0 HB3 LYS A 93 13.608 -0.140 7.919 1.00 1.24 H new ATOM 0 HG2 LYS A 93 15.714 -0.656 8.981 1.00 33.40 H new ATOM 0 HG3 LYS A 93 14.525 -1.806 9.559 1.00 33.40 H new ATOM 0 HD2 LYS A 93 15.345 -3.447 7.807 1.00 51.34 H new ATOM 0 HD3 LYS A 93 16.606 -2.306 7.385 1.00 51.34 H new ATOM 0 HE2 LYS A 93 16.212 -3.630 10.099 1.00 23.53 H new ATOM 0 HE3 LYS A 93 17.465 -4.010 8.934 1.00 23.53 H new ATOM 0 HZ1 LYS A 93 18.380 -2.600 10.595 1.00 15.34 H new ATOM 0 HZ2 LYS A 93 18.262 -1.683 9.171 1.00 15.34 H new ATOM 0 HZ3 LYS A 93 17.136 -1.458 10.422 1.00 15.34 H new ATOM 1570 N GLY A 94 10.942 -1.402 8.191 1.00 24.31 N ATOM 1571 CA GLY A 94 9.837 -1.433 9.151 1.00 21.11 C ATOM 1572 C GLY A 94 9.024 -2.722 9.090 1.00 63.22 C ATOM 1573 O GLY A 94 8.344 -3.086 10.055 1.00 72.30 O ATOM 0 H GLY A 94 10.827 -0.725 7.436 1.00 24.31 H new ATOM 0 HA2 GLY A 94 10.236 -1.310 10.158 1.00 21.11 H new ATOM 0 HA3 GLY A 94 9.177 -0.586 8.963 1.00 21.11 H new ATOM 1577 N LEU A 95 9.079 -3.409 7.949 1.00 31.03 N ATOM 1578 CA LEU A 95 8.426 -4.713 7.795 1.00 74.20 C ATOM 1579 C LEU A 95 9.426 -5.854 8.042 1.00 54.32 C ATOM 1580 O LEU A 95 9.106 -7.027 7.843 1.00 34.33 O ATOM 1581 CB LEU A 95 7.825 -4.842 6.387 1.00 54.23 C ATOM 1582 CG LEU A 95 6.858 -3.720 5.971 1.00 70.03 C ATOM 1583 CD1 LEU A 95 6.269 -3.999 4.592 1.00 10.43 C ATOM 1584 CD2 LEU A 95 5.750 -3.539 7.005 1.00 13.24 C ATOM 0 H LEU A 95 9.569 -3.085 7.115 1.00 31.03 H new ATOM 0 HA LEU A 95 7.627 -4.784 8.533 1.00 74.20 H new ATOM 0 HB2 LEU A 95 8.641 -4.880 5.665 1.00 54.23 H new ATOM 0 HB3 LEU A 95 7.298 -5.794 6.322 1.00 54.23 H new ATOM 0 HG LEU A 95 7.425 -2.790 5.920 1.00 70.03 H new ATOM 0 HD11 LEU A 95 5.588 -3.193 4.317 1.00 10.43 H new ATOM 0 HD12 LEU A 95 7.073 -4.060 3.859 1.00 10.43 H new ATOM 0 HD13 LEU A 95 5.724 -4.943 4.613 1.00 10.43 H new ATOM 0 HD21 LEU A 95 5.081 -2.740 6.686 1.00 13.24 H new ATOM 0 HD22 LEU A 95 5.187 -4.467 7.101 1.00 13.24 H new ATOM 0 HD23 LEU A 95 6.190 -3.281 7.968 1.00 13.24 H new ATOM 1596 N ASN A 96 10.637 -5.487 8.484 1.00 62.13 N ATOM 1597 CA ASN A 96 11.726 -6.446 8.734 1.00 54.15 C ATOM 1598 C ASN A 96 12.215 -7.097 7.423 1.00 14.14 C ATOM 1599 O ASN A 96 12.829 -8.167 7.427 1.00 21.54 O ATOM 1600 CB ASN A 96 11.274 -7.511 9.751 1.00 2.22 C ATOM 1601 CG ASN A 96 12.421 -8.337 10.321 1.00 33.44 C ATOM 1602 OD1 ASN A 96 13.578 -7.725 10.503 1.00 52.52 O flip ATOM 1603 ND2 ASN A 96 12.259 -9.516 10.623 1.00 50.11 N flip ATOM 0 H ASN A 96 10.891 -4.518 8.679 1.00 62.13 H new ATOM 0 HA ASN A 96 12.570 -5.902 9.157 1.00 54.15 H new ATOM 0 HB2 ASN A 96 10.749 -7.019 10.570 1.00 2.22 H new ATOM 0 HB3 ASN A 96 10.560 -8.180 9.271 1.00 2.22 H new ATOM 0 HD21 ASN A 96 11.354 -9.962 10.471 1.00 50.11 H new ATOM 0 HD22 ASN A 96 13.029 -10.050 11.026 1.00 50.11 H new ATOM 1610 N LEU A 97 11.970 -6.420 6.301 1.00 21.43 N ATOM 1611 CA LEU A 97 12.388 -6.913 4.982 1.00 64.50 C ATOM 1612 C LEU A 97 13.842 -6.518 4.672 1.00 54.41 C ATOM 1613 O LEU A 97 14.357 -5.537 5.218 1.00 50.34 O ATOM 1614 CB LEU A 97 11.461 -6.357 3.884 1.00 34.11 C ATOM 1615 CG LEU A 97 9.965 -6.659 4.065 1.00 31.43 C ATOM 1616 CD1 LEU A 97 9.154 -6.094 2.900 1.00 71.40 C ATOM 1617 CD2 LEU A 97 9.729 -8.161 4.216 1.00 50.43 C ATOM 0 H LEU A 97 11.482 -5.525 6.276 1.00 21.43 H new ATOM 0 HA LEU A 97 12.321 -8.001 5.000 1.00 64.50 H new ATOM 0 HB2 LEU A 97 11.592 -5.276 3.835 1.00 34.11 H new ATOM 0 HB3 LEU A 97 11.782 -6.761 2.924 1.00 34.11 H new ATOM 0 HG LEU A 97 9.628 -6.171 4.980 1.00 31.43 H new ATOM 0 HD11 LEU A 97 8.098 -6.319 3.049 1.00 71.40 H new ATOM 0 HD12 LEU A 97 9.291 -5.014 2.851 1.00 71.40 H new ATOM 0 HD13 LEU A 97 9.493 -6.545 1.968 1.00 71.40 H new ATOM 0 HD21 LEU A 97 8.663 -8.351 4.343 1.00 50.43 H new ATOM 0 HD22 LEU A 97 10.086 -8.677 3.325 1.00 50.43 H new ATOM 0 HD23 LEU A 97 10.269 -8.528 5.088 1.00 50.43 H new ATOM 1629 N PRO A 98 14.533 -7.280 3.799 1.00 52.51 N ATOM 1630 CA PRO A 98 15.893 -6.932 3.363 1.00 13.13 C ATOM 1631 C PRO A 98 15.911 -5.651 2.515 1.00 14.54 C ATOM 1632 O PRO A 98 15.563 -5.662 1.334 1.00 2.04 O ATOM 1633 CB PRO A 98 16.334 -8.151 2.538 1.00 42.43 C ATOM 1634 CG PRO A 98 15.065 -8.791 2.092 1.00 43.43 C ATOM 1635 CD PRO A 98 14.058 -8.534 3.183 1.00 42.24 C ATOM 0 HA PRO A 98 16.557 -6.724 4.202 1.00 13.13 H new ATOM 0 HB2 PRO A 98 16.946 -7.852 1.687 1.00 42.43 H new ATOM 0 HB3 PRO A 98 16.934 -8.837 3.136 1.00 42.43 H new ATOM 0 HG2 PRO A 98 14.729 -8.370 1.145 1.00 43.43 H new ATOM 0 HG3 PRO A 98 15.203 -9.861 1.934 1.00 43.43 H new ATOM 0 HD2 PRO A 98 13.050 -8.428 2.782 1.00 42.24 H new ATOM 0 HD3 PRO A 98 14.030 -9.351 3.904 1.00 42.24 H new ATOM 1643 N THR A 99 16.314 -4.540 3.128 1.00 74.11 N ATOM 1644 CA THR A 99 16.307 -3.230 2.454 1.00 10.15 C ATOM 1645 C THR A 99 17.252 -3.195 1.234 1.00 21.15 C ATOM 1646 O THR A 99 17.229 -2.253 0.444 1.00 52.32 O ATOM 1647 CB THR A 99 16.684 -2.092 3.439 1.00 25.03 C ATOM 1648 OG1 THR A 99 16.473 -0.803 2.838 1.00 10.31 O ATOM 1649 CG2 THR A 99 18.135 -2.214 3.895 1.00 13.32 C ATOM 0 H THR A 99 16.651 -4.514 4.090 1.00 74.11 H new ATOM 0 HA THR A 99 15.289 -3.073 2.097 1.00 10.15 H new ATOM 0 HB THR A 99 16.036 -2.188 4.310 1.00 25.03 H new ATOM 0 HG1 THR A 99 16.525 -0.884 1.863 1.00 10.31 H new ATOM 0 HG21 THR A 99 18.369 -1.403 4.584 1.00 13.32 H new ATOM 0 HG22 THR A 99 18.279 -3.170 4.398 1.00 13.32 H new ATOM 0 HG23 THR A 99 18.795 -2.156 3.029 1.00 13.32 H new ATOM 1657 N SER A 100 18.064 -4.245 1.070 1.00 52.21 N ATOM 1658 CA SER A 100 19.002 -4.342 -0.063 1.00 53.34 C ATOM 1659 C SER A 100 18.280 -4.633 -1.394 1.00 71.10 C ATOM 1660 O SER A 100 18.906 -4.656 -2.459 1.00 33.44 O ATOM 1661 CB SER A 100 20.057 -5.428 0.199 1.00 13.12 C ATOM 1662 OG SER A 100 21.012 -5.489 -0.852 1.00 12.40 O ATOM 0 H SER A 100 18.093 -5.042 1.706 1.00 52.21 H new ATOM 0 HA SER A 100 19.491 -3.372 -0.152 1.00 53.34 H new ATOM 0 HB2 SER A 100 20.564 -5.224 1.142 1.00 13.12 H new ATOM 0 HB3 SER A 100 19.567 -6.396 0.303 1.00 13.12 H new ATOM 0 HG SER A 100 20.595 -5.199 -1.690 1.00 12.40 H new ATOM 1668 N ILE A 101 16.968 -4.881 -1.335 1.00 11.30 N ATOM 1669 CA ILE A 101 16.161 -5.021 -2.557 1.00 31.14 C ATOM 1670 C ILE A 101 16.152 -3.688 -3.332 1.00 63.32 C ATOM 1671 O ILE A 101 15.347 -2.800 -3.053 1.00 61.22 O ATOM 1672 CB ILE A 101 14.695 -5.443 -2.243 1.00 3.33 C ATOM 1673 CG1 ILE A 101 14.656 -6.750 -1.430 1.00 12.33 C ATOM 1674 CG2 ILE A 101 13.892 -5.604 -3.540 1.00 72.14 C ATOM 1675 CD1 ILE A 101 13.280 -7.091 -0.896 1.00 12.14 C ATOM 0 H ILE A 101 16.444 -4.988 -0.466 1.00 11.30 H new ATOM 0 HA ILE A 101 16.615 -5.806 -3.161 1.00 31.14 H new ATOM 0 HB ILE A 101 14.242 -4.654 -1.643 1.00 3.33 H new ATOM 0 HG12 ILE A 101 15.006 -7.569 -2.058 1.00 12.33 H new ATOM 0 HG13 ILE A 101 15.351 -6.669 -0.594 1.00 12.33 H new ATOM 0 HG21 ILE A 101 12.870 -5.899 -3.301 1.00 72.14 H new ATOM 0 HG22 ILE A 101 13.879 -4.657 -4.080 1.00 72.14 H new ATOM 0 HG23 ILE A 101 14.355 -6.370 -4.162 1.00 72.14 H new ATOM 0 HD11 ILE A 101 13.329 -8.024 -0.334 1.00 12.14 H new ATOM 0 HD12 ILE A 101 12.935 -6.290 -0.242 1.00 12.14 H new ATOM 0 HD13 ILE A 101 12.585 -7.205 -1.728 1.00 12.14 H new ATOM 1687 N THR A 102 17.065 -3.549 -4.293 1.00 41.25 N ATOM 1688 CA THR A 102 17.280 -2.274 -5.004 1.00 44.15 C ATOM 1689 C THR A 102 15.980 -1.651 -5.543 1.00 0.13 C ATOM 1690 O THR A 102 15.717 -0.466 -5.334 1.00 74.51 O ATOM 1691 CB THR A 102 18.270 -2.452 -6.179 1.00 4.31 C ATOM 1692 OG1 THR A 102 19.492 -3.053 -5.713 1.00 5.43 O ATOM 1693 CG2 THR A 102 18.586 -1.116 -6.848 1.00 31.11 C ATOM 0 H THR A 102 17.675 -4.305 -4.604 1.00 41.25 H new ATOM 0 HA THR A 102 17.695 -1.594 -4.260 1.00 44.15 H new ATOM 0 HB THR A 102 17.797 -3.103 -6.914 1.00 4.31 H new ATOM 0 HG1 THR A 102 20.110 -3.162 -6.465 1.00 5.43 H new ATOM 0 HG21 THR A 102 19.284 -1.277 -7.669 1.00 31.11 H new ATOM 0 HG22 THR A 102 17.667 -0.676 -7.234 1.00 31.11 H new ATOM 0 HG23 THR A 102 19.033 -0.441 -6.119 1.00 31.11 H new ATOM 1701 N SER A 103 15.170 -2.446 -6.236 1.00 5.24 N ATOM 1702 CA SER A 103 13.924 -1.944 -6.839 1.00 35.34 C ATOM 1703 C SER A 103 12.719 -2.067 -5.889 1.00 1.03 C ATOM 1704 O SER A 103 11.569 -1.978 -6.326 1.00 72.14 O ATOM 1705 CB SER A 103 13.630 -2.691 -8.151 1.00 21.11 C ATOM 1706 OG SER A 103 14.700 -2.542 -9.081 1.00 71.13 O ATOM 0 H SER A 103 15.347 -3.438 -6.398 1.00 5.24 H new ATOM 0 HA SER A 103 14.073 -0.884 -7.042 1.00 35.34 H new ATOM 0 HB2 SER A 103 13.471 -3.749 -7.942 1.00 21.11 H new ATOM 0 HB3 SER A 103 12.708 -2.311 -8.590 1.00 21.11 H new ATOM 0 HG SER A 103 14.487 -3.028 -9.905 1.00 71.13 H new ATOM 1712 N ALA A 104 12.980 -2.239 -4.588 1.00 71.21 N ATOM 1713 CA ALA A 104 11.906 -2.359 -3.588 1.00 44.25 C ATOM 1714 C ALA A 104 10.918 -1.190 -3.670 1.00 14.32 C ATOM 1715 O ALA A 104 9.703 -1.385 -3.635 1.00 53.45 O ATOM 1716 CB ALA A 104 12.490 -2.445 -2.182 1.00 33.20 C ATOM 0 H ALA A 104 13.922 -2.298 -4.201 1.00 71.21 H new ATOM 0 HA ALA A 104 11.361 -3.277 -3.809 1.00 44.25 H new ATOM 0 HB1 ALA A 104 11.681 -2.533 -1.457 1.00 33.20 H new ATOM 0 HB2 ALA A 104 13.139 -3.318 -2.110 1.00 33.20 H new ATOM 0 HB3 ALA A 104 13.068 -1.545 -1.973 1.00 33.20 H new ATOM 1722 N ALA A 105 11.455 0.025 -3.789 1.00 45.54 N ATOM 1723 CA ALA A 105 10.634 1.238 -3.898 1.00 22.15 C ATOM 1724 C ALA A 105 9.592 1.127 -5.024 1.00 23.54 C ATOM 1725 O ALA A 105 8.462 1.602 -4.894 1.00 42.25 O ATOM 1726 CB ALA A 105 11.530 2.452 -4.127 1.00 41.22 C ATOM 0 H ALA A 105 12.460 0.199 -3.813 1.00 45.54 H new ATOM 0 HA ALA A 105 10.090 1.357 -2.961 1.00 22.15 H new ATOM 0 HB1 ALA A 105 10.915 3.348 -4.207 1.00 41.22 H new ATOM 0 HB2 ALA A 105 12.219 2.559 -3.289 1.00 41.22 H new ATOM 0 HB3 ALA A 105 12.097 2.317 -5.048 1.00 41.22 H new ATOM 1732 N PHE A 106 9.982 0.500 -6.128 1.00 72.44 N ATOM 1733 CA PHE A 106 9.087 0.320 -7.270 1.00 74.44 C ATOM 1734 C PHE A 106 8.057 -0.794 -7.009 1.00 33.01 C ATOM 1735 O PHE A 106 6.859 -0.609 -7.236 1.00 30.44 O ATOM 1736 CB PHE A 106 9.900 0.008 -8.533 1.00 65.34 C ATOM 1737 CG PHE A 106 9.069 -0.012 -9.792 1.00 13.23 C ATOM 1738 CD1 PHE A 106 8.550 1.168 -10.308 1.00 72.12 C ATOM 1739 CD2 PHE A 106 8.800 -1.203 -10.451 1.00 60.24 C ATOM 1740 CE1 PHE A 106 7.785 1.159 -11.457 1.00 34.54 C ATOM 1741 CE2 PHE A 106 8.033 -1.216 -11.601 1.00 55.43 C ATOM 1742 CZ PHE A 106 7.525 -0.034 -12.104 1.00 63.31 C ATOM 0 H PHE A 106 10.914 0.106 -6.259 1.00 72.44 H new ATOM 0 HA PHE A 106 8.539 1.251 -7.417 1.00 74.44 H new ATOM 0 HB2 PHE A 106 10.690 0.751 -8.640 1.00 65.34 H new ATOM 0 HB3 PHE A 106 10.387 -0.960 -8.413 1.00 65.34 H new ATOM 0 HD1 PHE A 106 8.747 2.103 -9.805 1.00 72.12 H new ATOM 0 HD2 PHE A 106 9.194 -2.130 -10.061 1.00 60.24 H new ATOM 0 HE1 PHE A 106 7.390 2.084 -11.850 1.00 34.54 H new ATOM 0 HE2 PHE A 106 7.831 -2.149 -12.106 1.00 55.43 H new ATOM 0 HZ PHE A 106 6.925 -0.042 -13.002 1.00 63.31 H new ATOM 1752 N THR A 107 8.530 -1.948 -6.531 1.00 71.52 N ATOM 1753 CA THR A 107 7.649 -3.100 -6.263 1.00 53.33 C ATOM 1754 C THR A 107 6.587 -2.781 -5.197 1.00 25.22 C ATOM 1755 O THR A 107 5.395 -2.988 -5.426 1.00 31.42 O ATOM 1756 CB THR A 107 8.452 -4.349 -5.819 1.00 64.11 C ATOM 1757 OG1 THR A 107 9.353 -4.748 -6.864 1.00 22.21 O ATOM 1758 CG2 THR A 107 7.527 -5.516 -5.474 1.00 1.40 C ATOM 0 H THR A 107 9.514 -2.114 -6.320 1.00 71.52 H new ATOM 0 HA THR A 107 7.147 -3.316 -7.206 1.00 53.33 H new ATOM 0 HB THR A 107 9.015 -4.082 -4.925 1.00 64.11 H new ATOM 0 HG1 THR A 107 9.859 -5.537 -6.576 1.00 22.21 H new ATOM 0 HG21 THR A 107 8.124 -6.375 -5.167 1.00 1.40 H new ATOM 0 HG22 THR A 107 6.863 -5.226 -4.660 1.00 1.40 H new ATOM 0 HG23 THR A 107 6.934 -5.781 -6.349 1.00 1.40 H new ATOM 1766 N LEU A 108 7.022 -2.271 -4.041 1.00 22.04 N ATOM 1767 CA LEU A 108 6.097 -1.915 -2.953 1.00 35.30 C ATOM 1768 C LEU A 108 5.024 -0.933 -3.439 1.00 75.54 C ATOM 1769 O LEU A 108 3.833 -1.122 -3.194 1.00 1.35 O ATOM 1770 CB LEU A 108 6.861 -1.297 -1.774 1.00 1.24 C ATOM 1771 CG LEU A 108 7.872 -2.220 -1.077 1.00 75.51 C ATOM 1772 CD1 LEU A 108 8.597 -1.473 0.038 1.00 21.12 C ATOM 1773 CD2 LEU A 108 7.179 -3.470 -0.532 1.00 33.24 C ATOM 0 H LEU A 108 8.005 -2.095 -3.832 1.00 22.04 H new ATOM 0 HA LEU A 108 5.609 -2.832 -2.623 1.00 35.30 H new ATOM 0 HB2 LEU A 108 7.390 -0.413 -2.131 1.00 1.24 H new ATOM 0 HB3 LEU A 108 6.137 -0.957 -1.034 1.00 1.24 H new ATOM 0 HG LEU A 108 8.611 -2.538 -1.813 1.00 75.51 H new ATOM 0 HD11 LEU A 108 9.309 -2.142 0.521 1.00 21.12 H new ATOM 0 HD12 LEU A 108 9.129 -0.619 -0.382 1.00 21.12 H new ATOM 0 HD13 LEU A 108 7.872 -1.123 0.773 1.00 21.12 H new ATOM 0 HD21 LEU A 108 7.914 -4.109 -0.043 1.00 33.24 H new ATOM 0 HD22 LEU A 108 6.415 -3.178 0.189 1.00 33.24 H new ATOM 0 HD23 LEU A 108 6.713 -4.015 -1.353 1.00 33.24 H new ATOM 1785 N ARG A 109 5.463 0.110 -4.135 1.00 41.03 N ATOM 1786 CA ARG A 109 4.556 1.102 -4.718 1.00 44.25 C ATOM 1787 C ARG A 109 3.530 0.452 -5.664 1.00 61.30 C ATOM 1788 O ARG A 109 2.335 0.745 -5.595 1.00 21.02 O ATOM 1789 CB ARG A 109 5.377 2.162 -5.462 1.00 1.51 C ATOM 1790 CG ARG A 109 4.551 3.111 -6.324 1.00 51.11 C ATOM 1791 CD ARG A 109 5.410 4.232 -6.895 1.00 44.33 C ATOM 1792 NE ARG A 109 6.586 3.736 -7.616 1.00 72.11 N ATOM 1793 CZ ARG A 109 7.776 4.269 -7.524 1.00 15.51 C ATOM 1794 NH1 ARG A 109 7.979 5.280 -6.737 1.00 14.03 N ATOM 1795 NH2 ARG A 109 8.761 3.788 -8.215 1.00 21.32 N ATOM 0 H ARG A 109 6.450 0.294 -4.312 1.00 41.03 H new ATOM 0 HA ARG A 109 3.994 1.572 -3.910 1.00 44.25 H new ATOM 0 HB2 ARG A 109 5.937 2.748 -4.733 1.00 1.51 H new ATOM 0 HB3 ARG A 109 6.108 1.659 -6.095 1.00 1.51 H new ATOM 0 HG2 ARG A 109 4.087 2.555 -7.139 1.00 51.11 H new ATOM 0 HG3 ARG A 109 3.743 3.537 -5.728 1.00 51.11 H new ATOM 0 HD2 ARG A 109 4.806 4.839 -7.569 1.00 44.33 H new ATOM 0 HD3 ARG A 109 5.735 4.884 -6.084 1.00 44.33 H new ATOM 0 HE ARG A 109 6.469 2.927 -8.226 1.00 72.11 H new ATOM 0 HH11 ARG A 109 7.209 5.661 -6.188 1.00 14.03 H new ATOM 0 HH12 ARG A 109 8.909 5.694 -6.668 1.00 14.03 H new ATOM 0 HH21 ARG A 109 8.609 2.991 -8.833 1.00 21.32 H new ATOM 0 HH22 ARG A 109 9.688 4.206 -8.141 1.00 21.32 H new ATOM 1809 N THR A 110 4.004 -0.433 -6.538 1.00 51.21 N ATOM 1810 CA THR A 110 3.130 -1.123 -7.499 1.00 64.15 C ATOM 1811 C THR A 110 2.104 -2.020 -6.789 1.00 4.35 C ATOM 1812 O THR A 110 0.904 -1.934 -7.051 1.00 11.32 O ATOM 1813 CB THR A 110 3.950 -1.984 -8.496 1.00 32.42 C ATOM 1814 OG1 THR A 110 4.904 -1.162 -9.190 1.00 24.31 O ATOM 1815 CG2 THR A 110 3.042 -2.671 -9.513 1.00 54.54 C ATOM 0 H THR A 110 4.988 -0.693 -6.605 1.00 51.21 H new ATOM 0 HA THR A 110 2.601 -0.345 -8.049 1.00 64.15 H new ATOM 0 HB THR A 110 4.471 -2.751 -7.922 1.00 32.42 H new ATOM 0 HG1 THR A 110 5.630 -0.916 -8.579 1.00 24.31 H new ATOM 0 HG21 THR A 110 3.647 -3.266 -10.197 1.00 54.54 H new ATOM 0 HG22 THR A 110 2.338 -3.320 -8.992 1.00 54.54 H new ATOM 0 HG23 THR A 110 2.492 -1.918 -10.077 1.00 54.54 H new ATOM 1823 N GLN A 111 2.580 -2.869 -5.878 1.00 64.01 N ATOM 1824 CA GLN A 111 1.701 -3.801 -5.156 1.00 3.01 C ATOM 1825 C GLN A 111 0.694 -3.050 -4.271 1.00 23.24 C ATOM 1826 O GLN A 111 -0.490 -3.395 -4.229 1.00 12.31 O ATOM 1827 CB GLN A 111 2.530 -4.779 -4.308 1.00 33.45 C ATOM 1828 CG GLN A 111 3.555 -5.579 -5.111 1.00 43.23 C ATOM 1829 CD GLN A 111 2.946 -6.327 -6.289 1.00 14.40 C ATOM 1830 OE1 GLN A 111 1.787 -6.733 -6.263 1.00 41.43 O ATOM 1831 NE2 GLN A 111 3.724 -6.512 -7.335 1.00 21.34 N ATOM 0 H GLN A 111 3.565 -2.934 -5.620 1.00 64.01 H new ATOM 0 HA GLN A 111 1.139 -4.368 -5.898 1.00 3.01 H new ATOM 0 HB2 GLN A 111 3.049 -4.220 -3.530 1.00 33.45 H new ATOM 0 HB3 GLN A 111 1.855 -5.472 -3.806 1.00 33.45 H new ATOM 0 HG2 GLN A 111 4.326 -4.902 -5.479 1.00 43.23 H new ATOM 0 HG3 GLN A 111 4.046 -6.294 -4.451 1.00 43.23 H new ATOM 0 HE21 GLN A 111 4.682 -6.163 -7.326 1.00 21.34 H new ATOM 0 HE22 GLN A 111 3.368 -7.005 -8.154 1.00 21.34 H new ATOM 1840 N TYR A 112 1.168 -2.017 -3.576 1.00 74.02 N ATOM 1841 CA TYR A 112 0.290 -1.165 -2.767 1.00 43.54 C ATOM 1842 C TYR A 112 -0.806 -0.554 -3.651 1.00 62.51 C ATOM 1843 O TYR A 112 -1.987 -0.568 -3.302 1.00 13.32 O ATOM 1844 CB TYR A 112 1.105 -0.049 -2.089 1.00 24.13 C ATOM 1845 CG TYR A 112 0.325 0.751 -1.056 1.00 73.34 C ATOM 1846 CD1 TYR A 112 -0.597 1.723 -1.439 1.00 13.25 C ATOM 1847 CD2 TYR A 112 0.508 0.530 0.305 1.00 41.14 C ATOM 1848 CE1 TYR A 112 -1.308 2.445 -0.502 1.00 12.00 C ATOM 1849 CE2 TYR A 112 -0.200 1.249 1.248 1.00 32.42 C ATOM 1850 CZ TYR A 112 -1.108 2.203 0.840 1.00 61.12 C ATOM 1851 OH TYR A 112 -1.816 2.918 1.776 1.00 11.34 O ATOM 0 H TYR A 112 2.152 -1.748 -3.555 1.00 74.02 H new ATOM 0 HA TYR A 112 -0.176 -1.775 -1.994 1.00 43.54 H new ATOM 0 HB2 TYR A 112 1.976 -0.492 -1.607 1.00 24.13 H new ATOM 0 HB3 TYR A 112 1.476 0.632 -2.855 1.00 24.13 H new ATOM 0 HD1 TYR A 112 -0.758 1.915 -2.489 1.00 13.25 H new ATOM 0 HD2 TYR A 112 1.217 -0.217 0.630 1.00 41.14 H new ATOM 0 HE1 TYR A 112 -2.017 3.195 -0.819 1.00 12.00 H new ATOM 0 HE2 TYR A 112 -0.043 1.065 2.301 1.00 32.42 H new ATOM 0 HH TYR A 112 -2.428 2.318 2.252 1.00 11.34 H new ATOM 1861 N MET A 113 -0.394 -0.037 -4.808 1.00 14.34 N ATOM 1862 CA MET A 113 -1.313 0.570 -5.777 1.00 74.33 C ATOM 1863 C MET A 113 -2.413 -0.419 -6.202 1.00 41.20 C ATOM 1864 O MET A 113 -3.586 -0.057 -6.307 1.00 55.10 O ATOM 1865 CB MET A 113 -0.528 1.029 -7.014 1.00 1.35 C ATOM 1866 CG MET A 113 -1.314 1.925 -7.959 1.00 62.44 C ATOM 1867 SD MET A 113 -0.443 2.211 -9.515 1.00 2.23 S ATOM 1868 CE MET A 113 1.172 2.709 -8.913 1.00 62.34 C ATOM 0 H MET A 113 0.583 -0.026 -5.102 1.00 14.34 H new ATOM 0 HA MET A 113 -1.791 1.426 -5.301 1.00 74.33 H new ATOM 0 HB2 MET A 113 0.365 1.562 -6.686 1.00 1.35 H new ATOM 0 HB3 MET A 113 -0.191 0.149 -7.563 1.00 1.35 H new ATOM 0 HG2 MET A 113 -2.283 1.470 -8.166 1.00 62.44 H new ATOM 0 HG3 MET A 113 -1.508 2.881 -7.473 1.00 62.44 H new ATOM 0 HE1 MET A 113 1.792 3.023 -9.753 1.00 62.34 H new ATOM 0 HE2 MET A 113 1.060 3.538 -8.215 1.00 62.34 H new ATOM 0 HE3 MET A 113 1.646 1.869 -8.406 1.00 62.34 H new ATOM 1878 N LYS A 114 -2.012 -1.664 -6.436 1.00 23.12 N ATOM 1879 CA LYS A 114 -2.933 -2.724 -6.867 1.00 72.12 C ATOM 1880 C LYS A 114 -3.995 -3.055 -5.803 1.00 3.41 C ATOM 1881 O LYS A 114 -5.190 -3.095 -6.097 1.00 75.22 O ATOM 1882 CB LYS A 114 -2.139 -4.001 -7.185 1.00 21.01 C ATOM 1883 CG LYS A 114 -1.196 -3.879 -8.382 1.00 24.32 C ATOM 1884 CD LYS A 114 -0.199 -5.038 -8.436 1.00 53.43 C ATOM 1885 CE LYS A 114 -0.893 -6.397 -8.409 1.00 72.03 C ATOM 1886 NZ LYS A 114 0.078 -7.519 -8.316 1.00 14.33 N ATOM 0 H LYS A 114 -1.045 -1.972 -6.334 1.00 23.12 H new ATOM 0 HA LYS A 114 -3.450 -2.355 -7.753 1.00 72.12 H new ATOM 0 HB2 LYS A 114 -1.557 -4.280 -6.307 1.00 21.01 H new ATOM 0 HB3 LYS A 114 -2.841 -4.813 -7.373 1.00 21.01 H new ATOM 0 HG2 LYS A 114 -1.778 -3.856 -9.303 1.00 24.32 H new ATOM 0 HG3 LYS A 114 -0.654 -2.935 -8.324 1.00 24.32 H new ATOM 0 HD2 LYS A 114 0.402 -4.957 -9.342 1.00 53.43 H new ATOM 0 HD3 LYS A 114 0.486 -4.965 -7.592 1.00 53.43 H new ATOM 0 HE2 LYS A 114 -1.576 -6.438 -7.561 1.00 72.03 H new ATOM 0 HE3 LYS A 114 -1.496 -6.514 -9.310 1.00 72.03 H new ATOM 0 HZ1 LYS A 114 -0.390 -8.350 -7.902 1.00 14.33 H new ATOM 0 HZ2 LYS A 114 0.427 -7.756 -9.267 1.00 14.33 H new ATOM 0 HZ3 LYS A 114 0.878 -7.237 -7.714 1.00 14.33 H new ATOM 1900 N TYR A 115 -3.550 -3.306 -4.571 1.00 31.15 N ATOM 1901 CA TYR A 115 -4.436 -3.838 -3.523 1.00 34.32 C ATOM 1902 C TYR A 115 -4.879 -2.771 -2.506 1.00 42.25 C ATOM 1903 O TYR A 115 -6.068 -2.614 -2.230 1.00 54.21 O ATOM 1904 CB TYR A 115 -3.728 -4.984 -2.781 1.00 31.32 C ATOM 1905 CG TYR A 115 -3.227 -6.085 -3.700 1.00 73.43 C ATOM 1906 CD1 TYR A 115 -4.083 -7.081 -4.155 1.00 3.52 C ATOM 1907 CD2 TYR A 115 -1.903 -6.119 -4.128 1.00 14.53 C ATOM 1908 CE1 TYR A 115 -3.638 -8.074 -5.003 1.00 25.33 C ATOM 1909 CE2 TYR A 115 -1.450 -7.113 -4.974 1.00 50.31 C ATOM 1910 CZ TYR A 115 -2.323 -8.087 -5.412 1.00 31.25 C ATOM 1911 OH TYR A 115 -1.884 -9.070 -6.267 1.00 12.01 O ATOM 0 H TYR A 115 -2.587 -3.152 -4.271 1.00 31.15 H new ATOM 0 HA TYR A 115 -5.335 -4.197 -4.024 1.00 34.32 H new ATOM 0 HB2 TYR A 115 -2.885 -4.578 -2.221 1.00 31.32 H new ATOM 0 HB3 TYR A 115 -4.416 -5.414 -2.053 1.00 31.32 H new ATOM 0 HD1 TYR A 115 -5.116 -7.077 -3.839 1.00 3.52 H new ATOM 0 HD2 TYR A 115 -1.217 -5.355 -3.793 1.00 14.53 H new ATOM 0 HE1 TYR A 115 -4.319 -8.839 -5.345 1.00 25.33 H new ATOM 0 HE2 TYR A 115 -0.418 -7.127 -5.291 1.00 50.31 H new ATOM 0 HH TYR A 115 -2.624 -9.357 -6.842 1.00 12.01 H new ATOM 1921 N LEU A 116 -3.920 -2.031 -1.963 1.00 11.44 N ATOM 1922 CA LEU A 116 -4.169 -1.170 -0.798 1.00 15.31 C ATOM 1923 C LEU A 116 -4.598 0.259 -1.174 1.00 34.40 C ATOM 1924 O LEU A 116 -5.288 0.925 -0.399 1.00 21.45 O ATOM 1925 CB LEU A 116 -2.910 -1.134 0.075 1.00 24.32 C ATOM 1926 CG LEU A 116 -2.457 -2.507 0.604 1.00 54.51 C ATOM 1927 CD1 LEU A 116 -1.116 -2.403 1.327 1.00 51.44 C ATOM 1928 CD2 LEU A 116 -3.519 -3.106 1.525 1.00 74.15 C ATOM 0 H LEU A 116 -2.960 -2.005 -2.306 1.00 11.44 H new ATOM 0 HA LEU A 116 -5.006 -1.601 -0.249 1.00 15.31 H new ATOM 0 HB2 LEU A 116 -2.096 -0.695 -0.502 1.00 24.32 H new ATOM 0 HB3 LEU A 116 -3.091 -0.474 0.923 1.00 24.32 H new ATOM 0 HG LEU A 116 -2.327 -3.170 -0.251 1.00 54.51 H new ATOM 0 HD11 LEU A 116 -0.821 -3.388 1.690 1.00 51.44 H new ATOM 0 HD12 LEU A 116 -0.359 -2.028 0.638 1.00 51.44 H new ATOM 0 HD13 LEU A 116 -1.209 -1.719 2.170 1.00 51.44 H new ATOM 0 HD21 LEU A 116 -3.180 -4.076 1.888 1.00 74.15 H new ATOM 0 HD22 LEU A 116 -3.685 -2.439 2.371 1.00 74.15 H new ATOM 0 HD23 LEU A 116 -4.451 -3.231 0.973 1.00 74.15 H new ATOM 1940 N TYR A 117 -4.203 0.727 -2.357 1.00 72.22 N ATOM 1941 CA TYR A 117 -4.520 2.101 -2.779 1.00 72.34 C ATOM 1942 C TYR A 117 -6.039 2.356 -2.878 1.00 62.11 C ATOM 1943 O TYR A 117 -6.507 3.406 -2.443 1.00 51.41 O ATOM 1944 CB TYR A 117 -3.837 2.456 -4.108 1.00 40.45 C ATOM 1945 CG TYR A 117 -4.211 3.839 -4.615 1.00 14.04 C ATOM 1946 CD1 TYR A 117 -3.787 4.982 -3.944 1.00 71.13 C ATOM 1947 CD2 TYR A 117 -5.011 4.002 -5.741 1.00 71.11 C ATOM 1948 CE1 TYR A 117 -4.144 6.243 -4.382 1.00 54.35 C ATOM 1949 CE2 TYR A 117 -5.376 5.260 -6.182 1.00 13.31 C ATOM 1950 CZ TYR A 117 -4.939 6.376 -5.500 1.00 34.54 C ATOM 1951 OH TYR A 117 -5.309 7.628 -5.932 1.00 52.22 O ATOM 0 H TYR A 117 -3.669 0.186 -3.037 1.00 72.22 H new ATOM 0 HA TYR A 117 -4.127 2.753 -1.999 1.00 72.34 H new ATOM 0 HB2 TYR A 117 -2.756 2.401 -3.981 1.00 40.45 H new ATOM 0 HB3 TYR A 117 -4.107 1.714 -4.859 1.00 40.45 H new ATOM 0 HD1 TYR A 117 -3.168 4.882 -3.065 1.00 71.13 H new ATOM 0 HD2 TYR A 117 -5.353 3.131 -6.280 1.00 71.11 H new ATOM 0 HE1 TYR A 117 -3.802 7.119 -3.851 1.00 54.35 H new ATOM 0 HE2 TYR A 117 -6.000 5.368 -7.056 1.00 13.31 H new ATOM 0 HH TYR A 117 -5.868 7.546 -6.733 1.00 52.22 H new ATOM 1961 N PRO A 118 -6.837 1.436 -3.476 1.00 35.44 N ATOM 1962 CA PRO A 118 -8.304 1.576 -3.494 1.00 64.42 C ATOM 1963 C PRO A 118 -8.886 1.873 -2.097 1.00 12.10 C ATOM 1964 O PRO A 118 -9.754 2.736 -1.937 1.00 41.42 O ATOM 1965 CB PRO A 118 -8.777 0.206 -3.998 1.00 53.20 C ATOM 1966 CG PRO A 118 -7.657 -0.282 -4.851 1.00 11.42 C ATOM 1967 CD PRO A 118 -6.394 0.220 -4.200 1.00 61.20 C ATOM 0 HA PRO A 118 -8.630 2.412 -4.114 1.00 64.42 H new ATOM 0 HB2 PRO A 118 -8.973 -0.476 -3.170 1.00 53.20 H new ATOM 0 HB3 PRO A 118 -9.703 0.290 -4.567 1.00 53.20 H new ATOM 0 HG2 PRO A 118 -7.659 -1.370 -4.913 1.00 11.42 H new ATOM 0 HG3 PRO A 118 -7.748 0.096 -5.869 1.00 11.42 H new ATOM 0 HD2 PRO A 118 -5.971 -0.520 -3.520 1.00 61.20 H new ATOM 0 HD3 PRO A 118 -5.626 0.450 -4.938 1.00 61.20 H new ATOM 1975 N TYR A 119 -8.387 1.157 -1.091 1.00 33.02 N ATOM 1976 CA TYR A 119 -8.838 1.333 0.295 1.00 54.21 C ATOM 1977 C TYR A 119 -8.454 2.731 0.818 1.00 20.41 C ATOM 1978 O TYR A 119 -9.287 3.451 1.375 1.00 5.10 O ATOM 1979 CB TYR A 119 -8.221 0.238 1.180 1.00 42.13 C ATOM 1980 CG TYR A 119 -9.032 -0.100 2.419 1.00 70.44 C ATOM 1981 CD1 TYR A 119 -8.876 0.611 3.604 1.00 75.04 C ATOM 1982 CD2 TYR A 119 -9.953 -1.144 2.400 1.00 23.34 C ATOM 1983 CE1 TYR A 119 -9.610 0.289 4.732 1.00 14.51 C ATOM 1984 CE2 TYR A 119 -10.689 -1.469 3.521 1.00 2.22 C ATOM 1985 CZ TYR A 119 -10.516 -0.751 4.684 1.00 2.12 C ATOM 1986 OH TYR A 119 -11.249 -1.079 5.804 1.00 61.40 O ATOM 0 H TYR A 119 -7.666 0.445 -1.208 1.00 33.02 H new ATOM 0 HA TYR A 119 -9.924 1.248 0.328 1.00 54.21 H new ATOM 0 HB2 TYR A 119 -8.097 -0.666 0.584 1.00 42.13 H new ATOM 0 HB3 TYR A 119 -7.225 0.556 1.488 1.00 42.13 H new ATOM 0 HD1 TYR A 119 -8.171 1.428 3.645 1.00 75.04 H new ATOM 0 HD2 TYR A 119 -10.094 -1.710 1.491 1.00 23.34 H new ATOM 0 HE1 TYR A 119 -9.475 0.849 5.646 1.00 14.51 H new ATOM 0 HE2 TYR A 119 -11.398 -2.283 3.487 1.00 2.22 H new ATOM 0 HH TYR A 119 -11.840 -1.833 5.599 1.00 61.40 H new ATOM 1996 N GLU A 120 -7.186 3.096 0.621 1.00 44.34 N ATOM 1997 CA GLU A 120 -6.679 4.440 0.946 1.00 62.41 C ATOM 1998 C GLU A 120 -7.547 5.540 0.306 1.00 20.14 C ATOM 1999 O GLU A 120 -8.110 6.392 1.000 1.00 64.11 O ATOM 2000 CB GLU A 120 -5.210 4.544 0.467 1.00 14.23 C ATOM 2001 CG GLU A 120 -4.691 5.962 0.193 1.00 40.32 C ATOM 2002 CD GLU A 120 -4.609 6.847 1.427 1.00 55.40 C ATOM 2003 OE1 GLU A 120 -3.620 6.737 2.181 1.00 43.25 O ATOM 2004 OE2 GLU A 120 -5.521 7.680 1.624 1.00 55.11 O ATOM 0 H GLU A 120 -6.478 2.473 0.232 1.00 44.34 H new ATOM 0 HA GLU A 120 -6.726 4.590 2.025 1.00 62.41 H new ATOM 0 HB2 GLU A 120 -4.570 4.083 1.219 1.00 14.23 H new ATOM 0 HB3 GLU A 120 -5.104 3.957 -0.445 1.00 14.23 H new ATOM 0 HG2 GLU A 120 -3.701 5.893 -0.257 1.00 40.32 H new ATOM 0 HG3 GLU A 120 -5.342 6.439 -0.540 1.00 40.32 H new ATOM 2011 N CYS A 121 -7.680 5.486 -1.017 1.00 22.25 N ATOM 2012 CA CYS A 121 -8.430 6.493 -1.782 1.00 0.22 C ATOM 2013 C CYS A 121 -9.877 6.653 -1.291 1.00 53.01 C ATOM 2014 O CYS A 121 -10.452 7.742 -1.370 1.00 55.30 O ATOM 2015 CB CYS A 121 -8.439 6.117 -3.267 1.00 13.12 C ATOM 2016 SG CYS A 121 -9.380 7.250 -4.320 1.00 62.12 S ATOM 0 H CYS A 121 -7.274 4.748 -1.592 1.00 22.25 H new ATOM 0 HA CYS A 121 -7.925 7.447 -1.632 1.00 0.22 H new ATOM 0 HB2 CYS A 121 -7.410 6.077 -3.625 1.00 13.12 H new ATOM 0 HB3 CYS A 121 -8.853 5.114 -3.373 1.00 13.12 H new ATOM 0 HG CYS A 121 -10.213 7.930 -3.590 1.00 62.12 H new ATOM 2022 N GLU A 122 -10.467 5.573 -0.792 1.00 10.40 N ATOM 2023 CA GLU A 122 -11.868 5.596 -0.350 1.00 54.32 C ATOM 2024 C GLU A 122 -12.014 6.008 1.127 1.00 32.14 C ATOM 2025 O GLU A 122 -12.751 6.943 1.453 1.00 64.24 O ATOM 2026 CB GLU A 122 -12.505 4.216 -0.572 1.00 52.14 C ATOM 2027 CG GLU A 122 -13.992 4.153 -0.225 1.00 1.42 C ATOM 2028 CD GLU A 122 -14.829 5.112 -1.059 1.00 50.21 C ATOM 2029 OE1 GLU A 122 -14.987 4.872 -2.275 1.00 73.53 O ATOM 2030 OE2 GLU A 122 -15.321 6.119 -0.506 1.00 42.35 O ATOM 0 H GLU A 122 -10.004 4.671 -0.681 1.00 10.40 H new ATOM 0 HA GLU A 122 -12.384 6.348 -0.947 1.00 54.32 H new ATOM 0 HB2 GLU A 122 -12.374 3.931 -1.616 1.00 52.14 H new ATOM 0 HB3 GLU A 122 -11.971 3.480 0.029 1.00 52.14 H new ATOM 0 HG2 GLU A 122 -14.354 3.136 -0.376 1.00 1.42 H new ATOM 0 HG3 GLU A 122 -14.125 4.385 0.832 1.00 1.42 H new ATOM 2037 N LYS A 123 -11.313 5.311 2.014 1.00 4.42 N ATOM 2038 CA LYS A 123 -11.505 5.482 3.461 1.00 73.23 C ATOM 2039 C LYS A 123 -10.706 6.667 4.035 1.00 14.25 C ATOM 2040 O LYS A 123 -11.172 7.352 4.950 1.00 71.21 O ATOM 2041 CB LYS A 123 -11.125 4.186 4.190 1.00 14.25 C ATOM 2042 CG LYS A 123 -11.907 2.958 3.718 1.00 63.21 C ATOM 2043 CD LYS A 123 -13.418 3.143 3.866 1.00 44.32 C ATOM 2044 CE LYS A 123 -14.187 1.911 3.399 1.00 41.11 C ATOM 2045 NZ LYS A 123 -15.659 2.096 3.507 1.00 10.53 N ATOM 0 H LYS A 123 -10.605 4.621 1.763 1.00 4.42 H new ATOM 0 HA LYS A 123 -12.559 5.707 3.622 1.00 73.23 H new ATOM 0 HB2 LYS A 123 -10.060 4.002 4.052 1.00 14.25 H new ATOM 0 HB3 LYS A 123 -11.289 4.320 5.259 1.00 14.25 H new ATOM 0 HG2 LYS A 123 -11.668 2.757 2.674 1.00 63.21 H new ATOM 0 HG3 LYS A 123 -11.592 2.086 4.291 1.00 63.21 H new ATOM 0 HD2 LYS A 123 -13.659 3.348 4.909 1.00 44.32 H new ATOM 0 HD3 LYS A 123 -13.736 4.011 3.289 1.00 44.32 H new ATOM 0 HE2 LYS A 123 -13.925 1.691 2.364 1.00 41.11 H new ATOM 0 HE3 LYS A 123 -13.886 1.049 3.994 1.00 41.11 H new ATOM 0 HZ1 LYS A 123 -16.142 1.235 3.179 1.00 10.53 H new ATOM 0 HZ2 LYS A 123 -15.914 2.280 4.498 1.00 10.53 H new ATOM 0 HZ3 LYS A 123 -15.952 2.902 2.919 1.00 10.53 H new ATOM 2059 N ARG A 124 -9.506 6.907 3.512 1.00 35.24 N ATOM 2060 CA ARG A 124 -8.654 7.997 4.007 1.00 75.33 C ATOM 2061 C ARG A 124 -8.645 9.197 3.046 1.00 21.12 C ATOM 2062 O ARG A 124 -9.183 10.263 3.361 1.00 14.31 O ATOM 2063 CB ARG A 124 -7.223 7.491 4.240 1.00 33.44 C ATOM 2064 CG ARG A 124 -7.114 6.443 5.340 1.00 10.14 C ATOM 2065 CD ARG A 124 -7.571 6.995 6.685 1.00 22.00 C ATOM 2066 NE ARG A 124 -7.528 5.987 7.741 1.00 61.33 N ATOM 2067 CZ ARG A 124 -7.559 6.263 9.016 1.00 44.03 C ATOM 2068 NH1 ARG A 124 -7.627 7.492 9.422 1.00 11.13 N ATOM 2069 NH2 ARG A 124 -7.522 5.306 9.883 1.00 24.13 N ATOM 0 H ARG A 124 -9.099 6.367 2.749 1.00 35.24 H new ATOM 0 HA ARG A 124 -9.072 8.337 4.954 1.00 75.33 H new ATOM 0 HB2 ARG A 124 -6.840 7.070 3.310 1.00 33.44 H new ATOM 0 HB3 ARG A 124 -6.585 8.338 4.493 1.00 33.44 H new ATOM 0 HG2 ARG A 124 -7.718 5.575 5.078 1.00 10.14 H new ATOM 0 HG3 ARG A 124 -6.082 6.101 5.418 1.00 10.14 H new ATOM 0 HD2 ARG A 124 -6.938 7.837 6.964 1.00 22.00 H new ATOM 0 HD3 ARG A 124 -8.587 7.377 6.592 1.00 22.00 H new ATOM 0 HE ARG A 124 -7.470 5.007 7.465 1.00 61.33 H new ATOM 0 HH11 ARG A 124 -7.657 8.253 8.743 1.00 11.13 H new ATOM 0 HH12 ARG A 124 -7.651 7.699 10.421 1.00 11.13 H new ATOM 0 HH21 ARG A 124 -7.469 4.337 9.571 1.00 24.13 H new ATOM 0 HH22 ARG A 124 -7.546 5.520 10.880 1.00 24.13 H new ATOM 2083 N GLY A 125 -8.040 9.020 1.875 1.00 63.51 N ATOM 2084 CA GLY A 125 -7.959 10.103 0.898 1.00 44.23 C ATOM 2085 C GLY A 125 -6.773 11.026 1.145 1.00 24.52 C ATOM 2086 O GLY A 125 -6.811 12.212 0.814 1.00 33.14 O ATOM 0 H GLY A 125 -7.603 8.147 1.581 1.00 63.51 H new ATOM 0 HA2 GLY A 125 -7.883 9.679 -0.103 1.00 44.23 H new ATOM 0 HA3 GLY A 125 -8.880 10.685 0.929 1.00 44.23 H new ATOM 2090 N LEU A 126 -5.717 10.471 1.734 1.00 71.10 N ATOM 2091 CA LEU A 126 -4.491 11.220 2.029 1.00 1.34 C ATOM 2092 C LEU A 126 -3.756 11.611 0.737 1.00 42.12 C ATOM 2093 O LEU A 126 -2.918 12.511 0.728 1.00 44.14 O ATOM 2094 CB LEU A 126 -3.572 10.371 2.920 1.00 3.12 C ATOM 2095 CG LEU A 126 -4.184 9.904 4.254 1.00 43.30 C ATOM 2096 CD1 LEU A 126 -3.247 8.933 4.965 1.00 54.41 C ATOM 2097 CD2 LEU A 126 -4.500 11.098 5.153 1.00 74.04 C ATOM 0 H LEU A 126 -5.683 9.493 2.021 1.00 71.10 H new ATOM 0 HA LEU A 126 -4.764 12.137 2.552 1.00 1.34 H new ATOM 0 HB2 LEU A 126 -3.261 9.492 2.356 1.00 3.12 H new ATOM 0 HB3 LEU A 126 -2.672 10.947 3.136 1.00 3.12 H new ATOM 0 HG LEU A 126 -5.117 9.384 4.035 1.00 43.30 H new ATOM 0 HD11 LEU A 126 -3.698 8.615 5.905 1.00 54.41 H new ATOM 0 HD12 LEU A 126 -3.076 8.062 4.332 1.00 54.41 H new ATOM 0 HD13 LEU A 126 -2.296 9.427 5.167 1.00 54.41 H new ATOM 0 HD21 LEU A 126 -4.931 10.744 6.089 1.00 74.04 H new ATOM 0 HD22 LEU A 126 -3.583 11.649 5.361 1.00 74.04 H new ATOM 0 HD23 LEU A 126 -5.211 11.753 4.651 1.00 74.04 H new ATOM 2109 N SER A 127 -4.075 10.919 -0.355 1.00 0.04 N ATOM 2110 CA SER A 127 -3.482 11.213 -1.667 1.00 75.04 C ATOM 2111 C SER A 127 -4.552 11.235 -2.770 1.00 65.40 C ATOM 2112 O SER A 127 -5.638 10.674 -2.607 1.00 41.33 O ATOM 2113 CB SER A 127 -2.405 10.178 -2.019 1.00 72.51 C ATOM 2114 OG SER A 127 -1.381 10.121 -1.033 1.00 13.44 O ATOM 0 H SER A 127 -4.742 10.148 -0.361 1.00 0.04 H new ATOM 0 HA SER A 127 -3.025 12.201 -1.605 1.00 75.04 H new ATOM 0 HB2 SER A 127 -2.866 9.195 -2.121 1.00 72.51 H new ATOM 0 HB3 SER A 127 -1.965 10.426 -2.985 1.00 72.51 H new ATOM 0 HG SER A 127 -0.949 10.998 -0.959 1.00 13.44 H new ATOM 2120 N ASN A 128 -4.238 11.879 -3.894 1.00 71.24 N ATOM 2121 CA ASN A 128 -5.165 11.952 -5.038 1.00 25.35 C ATOM 2122 C ASN A 128 -4.670 11.089 -6.214 1.00 4.22 C ATOM 2123 O ASN A 128 -3.466 10.876 -6.377 1.00 4.41 O ATOM 2124 CB ASN A 128 -5.327 13.401 -5.513 1.00 14.12 C ATOM 2125 CG ASN A 128 -5.727 14.351 -4.403 1.00 34.12 C ATOM 2126 OD1 ASN A 128 -6.902 14.514 -4.092 1.00 2.33 O ATOM 2127 ND2 ASN A 128 -4.752 15.007 -3.821 1.00 54.34 N ATOM 0 H ASN A 128 -3.351 12.359 -4.043 1.00 71.24 H new ATOM 0 HA ASN A 128 -6.128 11.570 -4.699 1.00 25.35 H new ATOM 0 HB2 ASN A 128 -4.389 13.740 -5.952 1.00 14.12 H new ATOM 0 HB3 ASN A 128 -6.079 13.436 -6.301 1.00 14.12 H new ATOM 0 HD21 ASN A 128 -4.959 15.680 -3.083 1.00 54.34 H new ATOM 0 HD22 ASN A 128 -3.786 14.845 -4.107 1.00 54.34 H new ATOM 2134 N PRO A 129 -5.593 10.597 -7.068 1.00 11.13 N ATOM 2135 CA PRO A 129 -5.232 9.783 -8.246 1.00 32.42 C ATOM 2136 C PRO A 129 -4.380 10.552 -9.272 1.00 60.44 C ATOM 2137 O PRO A 129 -3.563 9.957 -9.982 1.00 41.13 O ATOM 2138 CB PRO A 129 -6.597 9.399 -8.848 1.00 13.01 C ATOM 2139 CG PRO A 129 -7.546 10.428 -8.331 1.00 40.15 C ATOM 2140 CD PRO A 129 -7.055 10.780 -6.954 1.00 73.31 C ATOM 0 HA PRO A 129 -4.616 8.927 -7.969 1.00 32.42 H new ATOM 0 HB2 PRO A 129 -6.564 9.404 -9.937 1.00 13.01 H new ATOM 0 HB3 PRO A 129 -6.896 8.396 -8.542 1.00 13.01 H new ATOM 0 HG2 PRO A 129 -7.562 11.306 -8.977 1.00 40.15 H new ATOM 0 HG3 PRO A 129 -8.564 10.039 -8.296 1.00 40.15 H new ATOM 0 HD2 PRO A 129 -7.314 11.803 -6.682 1.00 73.31 H new ATOM 0 HD3 PRO A 129 -7.485 10.129 -6.193 1.00 73.31 H new ATOM 2148 N ASN A 130 -4.568 11.872 -9.348 1.00 20.35 N ATOM 2149 CA ASN A 130 -3.818 12.705 -10.299 1.00 23.42 C ATOM 2150 C ASN A 130 -2.365 12.932 -9.846 1.00 42.20 C ATOM 2151 O ASN A 130 -1.426 12.642 -10.593 1.00 31.14 O ATOM 2152 CB ASN A 130 -4.529 14.046 -10.512 1.00 70.43 C ATOM 2153 CG ASN A 130 -5.855 13.880 -11.237 1.00 13.23 C ATOM 2154 OD1 ASN A 130 -6.022 12.973 -12.046 1.00 43.43 O ATOM 2155 ND2 ASN A 130 -6.803 14.750 -10.963 1.00 0.31 N ATOM 0 H ASN A 130 -5.229 12.387 -8.767 1.00 20.35 H new ATOM 0 HA ASN A 130 -3.783 12.167 -11.246 1.00 23.42 H new ATOM 0 HB2 ASN A 130 -4.701 14.522 -9.547 1.00 70.43 H new ATOM 0 HB3 ASN A 130 -3.883 14.711 -11.085 1.00 70.43 H new ATOM 0 HD21 ASN A 130 -7.708 14.682 -11.428 1.00 0.31 H new ATOM 0 HD22 ASN A 130 -6.633 15.493 -10.285 1.00 0.31 H new ATOM 2162 N GLU A 131 -2.176 13.449 -8.627 1.00 21.44 N ATOM 2163 CA GLU A 131 -0.824 13.659 -8.084 1.00 44.45 C ATOM 2164 C GLU A 131 -0.019 12.350 -8.067 1.00 30.50 C ATOM 2165 O GLU A 131 1.202 12.360 -8.243 1.00 20.23 O ATOM 2166 CB GLU A 131 -0.891 14.249 -6.668 1.00 45.41 C ATOM 2167 CG GLU A 131 -1.588 13.348 -5.657 1.00 71.20 C ATOM 2168 CD GLU A 131 -1.678 13.963 -4.272 1.00 70.34 C ATOM 2169 OE1 GLU A 131 -1.956 15.174 -4.175 1.00 64.51 O ATOM 2170 OE2 GLU A 131 -1.519 13.231 -3.279 1.00 45.02 O ATOM 0 H GLU A 131 -2.932 13.728 -8.001 1.00 21.44 H new ATOM 0 HA GLU A 131 -0.316 14.367 -8.739 1.00 44.45 H new ATOM 0 HB2 GLU A 131 0.122 14.452 -6.321 1.00 45.41 H new ATOM 0 HB3 GLU A 131 -1.412 15.206 -6.708 1.00 45.41 H new ATOM 0 HG2 GLU A 131 -2.593 13.122 -6.013 1.00 71.20 H new ATOM 0 HG3 GLU A 131 -1.052 12.401 -5.593 1.00 71.20 H new ATOM 2177 N LEU A 132 -0.717 11.232 -7.850 1.00 24.32 N ATOM 2178 CA LEU A 132 -0.094 9.902 -7.842 1.00 21.04 C ATOM 2179 C LEU A 132 0.757 9.656 -9.098 1.00 1.34 C ATOM 2180 O LEU A 132 1.938 9.324 -9.004 1.00 13.52 O ATOM 2181 CB LEU A 132 -1.180 8.819 -7.724 1.00 44.43 C ATOM 2182 CG LEU A 132 -0.677 7.364 -7.706 1.00 0.31 C ATOM 2183 CD1 LEU A 132 0.222 7.115 -6.498 1.00 75.11 C ATOM 2184 CD2 LEU A 132 -1.852 6.386 -7.717 1.00 53.14 C ATOM 0 H LEU A 132 -1.722 11.220 -7.676 1.00 24.32 H new ATOM 0 HA LEU A 132 0.572 9.854 -6.980 1.00 21.04 H new ATOM 0 HB2 LEU A 132 -1.748 8.998 -6.811 1.00 44.43 H new ATOM 0 HB3 LEU A 132 -1.873 8.934 -8.558 1.00 44.43 H new ATOM 0 HG LEU A 132 -0.087 7.198 -8.607 1.00 0.31 H new ATOM 0 HD11 LEU A 132 0.565 6.080 -6.507 1.00 75.11 H new ATOM 0 HD12 LEU A 132 1.082 7.783 -6.541 1.00 75.11 H new ATOM 0 HD13 LEU A 132 -0.338 7.304 -5.582 1.00 75.11 H new ATOM 0 HD21 LEU A 132 -1.474 5.364 -7.704 1.00 53.14 H new ATOM 0 HD22 LEU A 132 -2.474 6.554 -6.838 1.00 53.14 H new ATOM 0 HD23 LEU A 132 -2.447 6.542 -8.617 1.00 53.14 H new ATOM 2196 N GLN A 133 0.159 9.846 -10.274 1.00 35.41 N ATOM 2197 CA GLN A 133 0.863 9.615 -11.540 1.00 41.24 C ATOM 2198 C GLN A 133 2.055 10.574 -11.701 1.00 43.23 C ATOM 2199 O GLN A 133 3.133 10.171 -12.138 1.00 51.35 O ATOM 2200 CB GLN A 133 -0.110 9.748 -12.722 1.00 75.13 C ATOM 2201 CG GLN A 133 0.508 9.447 -14.089 1.00 54.22 C ATOM 2202 CD GLN A 133 1.278 8.132 -14.125 1.00 44.13 C ATOM 2203 OE1 GLN A 133 0.718 7.069 -14.370 1.00 61.31 O ATOM 2204 NE2 GLN A 133 2.576 8.198 -13.903 1.00 34.55 N ATOM 0 H GLN A 133 -0.807 10.158 -10.379 1.00 35.41 H new ATOM 0 HA GLN A 133 1.259 8.600 -11.527 1.00 41.24 H new ATOM 0 HB2 GLN A 133 -0.951 9.074 -12.561 1.00 75.13 H new ATOM 0 HB3 GLN A 133 -0.511 10.761 -12.734 1.00 75.13 H new ATOM 0 HG2 GLN A 133 -0.282 9.418 -14.839 1.00 54.22 H new ATOM 0 HG3 GLN A 133 1.179 10.261 -14.364 1.00 54.22 H new ATOM 0 HE21 GLN A 133 3.014 9.097 -13.702 1.00 34.55 H new ATOM 0 HE22 GLN A 133 3.142 7.350 -13.933 1.00 34.55 H new ATOM 2213 N ALA A 134 1.861 11.838 -11.331 1.00 52.31 N ATOM 2214 CA ALA A 134 2.944 12.829 -11.373 1.00 11.02 C ATOM 2215 C ALA A 134 4.124 12.410 -10.477 1.00 35.52 C ATOM 2216 O ALA A 134 5.288 12.534 -10.862 1.00 55.53 O ATOM 2217 CB ALA A 134 2.412 14.199 -10.961 1.00 31.54 C ATOM 0 H ALA A 134 0.968 12.203 -10.999 1.00 52.31 H new ATOM 0 HA ALA A 134 3.315 12.886 -12.396 1.00 11.02 H new ATOM 0 HB1 ALA A 134 3.221 14.929 -10.995 1.00 31.54 H new ATOM 0 HB2 ALA A 134 1.621 14.503 -11.646 1.00 31.54 H new ATOM 0 HB3 ALA A 134 2.014 14.145 -9.948 1.00 31.54 H new ATOM 2223 N ALA A 135 3.804 11.896 -9.288 1.00 23.01 N ATOM 2224 CA ALA A 135 4.815 11.424 -8.333 1.00 62.04 C ATOM 2225 C ALA A 135 5.634 10.260 -8.907 1.00 21.40 C ATOM 2226 O ALA A 135 6.870 10.286 -8.923 1.00 32.41 O ATOM 2227 CB ALA A 135 4.135 10.986 -7.040 1.00 63.11 C ATOM 0 H ALA A 135 2.844 11.794 -8.959 1.00 23.01 H new ATOM 0 HA ALA A 135 5.499 12.249 -8.132 1.00 62.04 H new ATOM 0 HB1 ALA A 135 4.888 10.636 -6.333 1.00 63.11 H new ATOM 0 HB2 ALA A 135 3.596 11.830 -6.608 1.00 63.11 H new ATOM 0 HB3 ALA A 135 3.434 10.179 -7.253 1.00 63.11 H new ATOM 2233 N ILE A 136 4.927 9.237 -9.369 1.00 41.43 N ATOM 2234 CA ILE A 136 5.550 8.045 -9.947 1.00 3.41 C ATOM 2235 C ILE A 136 6.398 8.398 -11.174 1.00 70.04 C ATOM 2236 O ILE A 136 7.526 7.922 -11.326 1.00 44.13 O ATOM 2237 CB ILE A 136 4.469 7.018 -10.352 1.00 4.30 C ATOM 2238 CG1 ILE A 136 3.542 6.750 -9.158 1.00 35.43 C ATOM 2239 CG2 ILE A 136 5.106 5.719 -10.851 1.00 22.41 C ATOM 2240 CD1 ILE A 136 2.281 6.000 -9.511 1.00 31.33 C ATOM 0 H ILE A 136 3.908 9.206 -9.356 1.00 41.43 H new ATOM 0 HA ILE A 136 6.201 7.613 -9.187 1.00 3.41 H new ATOM 0 HB ILE A 136 3.881 7.430 -11.172 1.00 4.30 H new ATOM 0 HG12 ILE A 136 4.091 6.182 -8.406 1.00 35.43 H new ATOM 0 HG13 ILE A 136 3.270 7.702 -8.703 1.00 35.43 H new ATOM 0 HG21 ILE A 136 4.323 5.013 -11.129 1.00 22.41 H new ATOM 0 HG22 ILE A 136 5.730 5.930 -11.719 1.00 22.41 H new ATOM 0 HG23 ILE A 136 5.719 5.287 -10.060 1.00 22.41 H new ATOM 0 HD11 ILE A 136 1.682 5.852 -8.612 1.00 31.33 H new ATOM 0 HD12 ILE A 136 1.708 6.575 -10.238 1.00 31.33 H new ATOM 0 HD13 ILE A 136 2.541 5.031 -9.938 1.00 31.33 H new ATOM 2252 N ASP A 137 5.846 9.245 -12.037 1.00 62.14 N ATOM 2253 CA ASP A 137 6.536 9.679 -13.252 1.00 24.13 C ATOM 2254 C ASP A 137 7.865 10.365 -12.903 1.00 73.14 C ATOM 2255 O ASP A 137 8.888 10.150 -13.561 1.00 5.14 O ATOM 2256 CB ASP A 137 5.632 10.628 -14.044 1.00 1.33 C ATOM 2257 CG ASP A 137 5.988 10.670 -15.515 1.00 1.32 C ATOM 2258 OD1 ASP A 137 5.456 9.836 -16.277 1.00 30.13 O ATOM 2259 OD2 ASP A 137 6.800 11.529 -15.918 1.00 63.14 O ATOM 0 H ASP A 137 4.917 9.648 -11.918 1.00 62.14 H new ATOM 0 HA ASP A 137 6.759 8.806 -13.865 1.00 24.13 H new ATOM 0 HB2 ASP A 137 4.594 10.314 -13.933 1.00 1.33 H new ATOM 0 HB3 ASP A 137 5.708 11.632 -13.626 1.00 1.33 H new ATOM 2264 N SER A 138 7.840 11.185 -11.849 1.00 20.44 N ATOM 2265 CA SER A 138 9.055 11.823 -11.324 1.00 63.01 C ATOM 2266 C SER A 138 10.094 10.776 -10.902 1.00 51.02 C ATOM 2267 O SER A 138 11.276 10.900 -11.220 1.00 24.45 O ATOM 2268 CB SER A 138 8.720 12.726 -10.124 1.00 51.31 C ATOM 2269 OG SER A 138 7.865 13.798 -10.501 1.00 24.11 O ATOM 0 H SER A 138 6.990 11.425 -11.339 1.00 20.44 H new ATOM 0 HA SER A 138 9.477 12.431 -12.124 1.00 63.01 H new ATOM 0 HB2 SER A 138 8.241 12.134 -9.344 1.00 51.31 H new ATOM 0 HB3 SER A 138 9.641 13.126 -9.700 1.00 51.31 H new ATOM 0 HG SER A 138 6.955 13.460 -10.632 1.00 24.11 H new ATOM 2275 N ASN A 139 9.634 9.740 -10.195 1.00 13.22 N ATOM 2276 CA ASN A 139 10.512 8.650 -9.744 1.00 40.31 C ATOM 2277 C ASN A 139 11.133 7.886 -10.927 1.00 60.33 C ATOM 2278 O ASN A 139 12.256 7.394 -10.835 1.00 64.33 O ATOM 2279 CB ASN A 139 9.739 7.673 -8.846 1.00 73.11 C ATOM 2280 CG ASN A 139 9.499 8.204 -7.439 1.00 11.32 C ATOM 2281 OD1 ASN A 139 9.403 7.432 -6.491 1.00 63.50 O ATOM 2282 ND2 ASN A 139 9.398 9.510 -7.284 1.00 20.04 N ATOM 0 H ASN A 139 8.658 9.631 -9.921 1.00 13.22 H new ATOM 0 HA ASN A 139 11.322 9.105 -9.174 1.00 40.31 H new ATOM 0 HB2 ASN A 139 8.779 7.447 -9.310 1.00 73.11 H new ATOM 0 HB3 ASN A 139 10.291 6.735 -8.783 1.00 73.11 H new ATOM 0 HD21 ASN A 139 9.236 9.902 -6.357 1.00 20.04 H new ATOM 0 HD22 ASN A 139 9.482 10.127 -8.092 1.00 20.04 H new ATOM 2289 N ARG A 140 10.398 7.781 -12.036 1.00 2.41 N ATOM 2290 CA ARG A 140 10.919 7.113 -13.237 1.00 3.25 C ATOM 2291 C ARG A 140 12.080 7.910 -13.846 1.00 12.41 C ATOM 2292 O ARG A 140 13.071 7.339 -14.303 1.00 54.24 O ATOM 2293 CB ARG A 140 9.816 6.926 -14.289 1.00 31.31 C ATOM 2294 CG ARG A 140 8.607 6.140 -13.792 1.00 13.04 C ATOM 2295 CD ARG A 140 7.634 5.824 -14.923 1.00 20.12 C ATOM 2296 NE ARG A 140 6.387 5.245 -14.430 1.00 41.34 N ATOM 2297 CZ ARG A 140 6.137 3.964 -14.382 1.00 23.44 C ATOM 2298 NH1 ARG A 140 7.023 3.100 -14.766 1.00 12.34 N ATOM 2299 NH2 ARG A 140 4.993 3.544 -13.952 1.00 11.45 N ATOM 0 H ARG A 140 9.450 8.145 -12.131 1.00 2.41 H new ATOM 0 HA ARG A 140 11.283 6.132 -12.932 1.00 3.25 H new ATOM 0 HB2 ARG A 140 9.483 7.907 -14.629 1.00 31.31 H new ATOM 0 HB3 ARG A 140 10.237 6.415 -15.154 1.00 31.31 H new ATOM 0 HG2 ARG A 140 8.942 5.211 -13.330 1.00 13.04 H new ATOM 0 HG3 ARG A 140 8.093 6.713 -13.020 1.00 13.04 H new ATOM 0 HD2 ARG A 140 7.415 6.736 -15.478 1.00 20.12 H new ATOM 0 HD3 ARG A 140 8.103 5.131 -15.621 1.00 20.12 H new ATOM 0 HE ARG A 140 5.663 5.884 -14.101 1.00 41.34 H new ATOM 0 HH11 ARG A 140 7.929 3.417 -15.111 1.00 12.34 H new ATOM 0 HH12 ARG A 140 6.815 2.102 -14.723 1.00 12.34 H new ATOM 0 HH21 ARG A 140 4.285 4.213 -13.650 1.00 11.45 H new ATOM 0 HH22 ARG A 140 4.798 2.543 -13.915 1.00 11.45 H new ATOM 2313 N ARG A 141 11.945 9.235 -13.843 1.00 24.11 N ATOM 2314 CA ARG A 141 12.978 10.129 -14.380 1.00 2.24 C ATOM 2315 C ARG A 141 14.239 10.125 -13.498 1.00 71.43 C ATOM 2316 O ARG A 141 15.366 10.142 -14.004 1.00 4.54 O ATOM 2317 CB ARG A 141 12.424 11.559 -14.496 1.00 31.42 C ATOM 2318 CG ARG A 141 13.432 12.577 -15.025 1.00 3.21 C ATOM 2319 CD ARG A 141 12.827 13.973 -15.110 1.00 4.33 C ATOM 2320 NE ARG A 141 13.794 14.969 -15.568 1.00 2.05 N ATOM 2321 CZ ARG A 141 13.498 16.217 -15.816 1.00 14.45 C ATOM 2322 NH1 ARG A 141 12.286 16.651 -15.678 1.00 41.21 N ATOM 2323 NH2 ARG A 141 14.420 17.030 -16.212 1.00 1.32 N ATOM 0 H ARG A 141 11.127 9.719 -13.473 1.00 24.11 H new ATOM 0 HA ARG A 141 13.258 9.765 -15.368 1.00 2.24 H new ATOM 0 HB2 ARG A 141 11.555 11.548 -15.154 1.00 31.42 H new ATOM 0 HB3 ARG A 141 12.077 11.883 -13.515 1.00 31.42 H new ATOM 0 HG2 ARG A 141 14.306 12.597 -14.373 1.00 3.21 H new ATOM 0 HG3 ARG A 141 13.778 12.269 -16.012 1.00 3.21 H new ATOM 0 HD2 ARG A 141 11.975 13.957 -15.790 1.00 4.33 H new ATOM 0 HD3 ARG A 141 12.447 14.262 -14.130 1.00 4.33 H new ATOM 0 HE ARG A 141 14.760 14.671 -15.702 1.00 2.05 H new ATOM 0 HH11 ARG A 141 11.549 16.016 -15.372 1.00 41.21 H new ATOM 0 HH12 ARG A 141 12.069 17.628 -15.875 1.00 41.21 H new ATOM 0 HH21 ARG A 141 15.377 16.697 -16.331 1.00 1.32 H new ATOM 0 HH22 ARG A 141 14.191 18.005 -16.406 1.00 1.32 H new