USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 807 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 71 GLN : amide:sc= 0.0138 X(o=-0.022,f=0) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -0.0355 X(o=-0.022,f=0) USER MOD Set 2.1: A 36 LYS NZ :NH3+ -125:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 60 TYR OH : rot -164:sc= 2.22 USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.115) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 1.34 (180deg=1.23) USER MOD Single : A 40 SER OG : rot 107:sc= 1.29 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 1.3 (180deg=1.12) USER MOD Single : A 47 THR OG1 : rot 38:sc= 0 USER MOD Single : A 48 TYR OH : rot 57:sc= 1.25 USER MOD Single : A 49 THR OG1 : rot -87:sc= 1.04 USER MOD Single : A 50 MET CE :methyl -148:sc= -0.0995 (180deg=-0.702) USER MOD Single : A 51 LYS NZ :NH3+ -172:sc= 2.04 (180deg=1.53) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0.238 K(o=0.24,f=-0.3) USER MOD Single : A 62 MET CE :methyl 162:sc= -0.229 (180deg=-0.66) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -130:sc= 1.23 (180deg=0.713) USER MOD Single : A 72 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.34) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -2:sc= -2.25! USER MOD Single : A 78 SER OG : rot -53:sc= 1.35 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 90 SER OG : rot 150:sc= -1.11 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0918) USER MOD Single : A 96 HIS : no HD1:sc= -2.21! K(o=-2.2!,f=-0.84) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 46:sc= 1.1 USER MOD Single : A 101 THR OG1 : rot -79:sc= -0.399 USER MOD Single : A 102 MET CE :methyl -170:sc= -0.437 (180deg=-0.56) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc=-0.00715 K(o=-0.0071,f=-1.3) USER MOD Single : B 305 THR OG1 : rot 180:sc= 0 USER MOD Single : B 308 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : B 311 SER OG : rot 117:sc= 1.04 USER MOD Single : B 312 SER OG : rot 93:sc= 0.768 USER MOD ----------------------------------------------------------------- ATOM 333 N LEU A 27 43.593 -20.826 -6.136 1.00 5.11 N ATOM 334 CA LEU A 27 44.553 -21.880 -6.270 1.00 60.50 C ATOM 335 C LEU A 27 45.358 -21.646 -7.516 1.00 75.55 C ATOM 336 O LEU A 27 44.801 -21.411 -8.601 1.00 13.21 O ATOM 337 CB LEU A 27 43.879 -23.249 -6.314 1.00 70.13 C ATOM 338 CG LEU A 27 43.132 -23.672 -5.049 1.00 24.53 C ATOM 339 CD1 LEU A 27 42.490 -25.032 -5.244 1.00 0.21 C ATOM 340 CD2 LEU A 27 44.067 -23.695 -3.848 1.00 40.21 C ATOM 0 HA LEU A 27 45.209 -21.874 -5.399 1.00 60.50 H new ATOM 0 HB2 LEU A 27 43.176 -23.259 -7.147 1.00 70.13 H new ATOM 0 HB3 LEU A 27 44.640 -23.999 -6.530 1.00 70.13 H new ATOM 0 HG LEU A 27 42.348 -22.939 -4.856 1.00 24.53 H new ATOM 0 HD11 LEU A 27 41.962 -25.319 -4.335 1.00 0.21 H new ATOM 0 HD12 LEU A 27 41.785 -24.986 -6.074 1.00 0.21 H new ATOM 0 HD13 LEU A 27 43.261 -25.770 -5.464 1.00 0.21 H new ATOM 0 HD21 LEU A 27 43.512 -23.999 -2.961 1.00 40.21 H new ATOM 0 HD22 LEU A 27 44.876 -24.403 -4.030 1.00 40.21 H new ATOM 0 HD23 LEU A 27 44.484 -22.700 -3.692 1.00 40.21 H new ATOM 352 N VAL A 28 46.634 -21.683 -7.364 1.00 40.25 N ATOM 353 CA VAL A 28 47.546 -21.425 -8.437 1.00 11.42 C ATOM 354 C VAL A 28 48.092 -22.723 -9.020 1.00 51.22 C ATOM 355 O VAL A 28 48.064 -23.774 -8.364 1.00 23.41 O ATOM 356 CB VAL A 28 48.713 -20.523 -7.965 1.00 72.31 C ATOM 357 CG1 VAL A 28 48.177 -19.207 -7.413 1.00 1.12 C ATOM 358 CG2 VAL A 28 49.592 -21.222 -6.924 1.00 61.10 C ATOM 0 H VAL A 28 47.089 -21.897 -6.476 1.00 40.25 H new ATOM 0 HA VAL A 28 46.994 -20.902 -9.218 1.00 11.42 H new ATOM 0 HB VAL A 28 49.339 -20.316 -8.833 1.00 72.31 H new ATOM 0 HG11 VAL A 28 49.009 -18.584 -7.085 1.00 1.12 H new ATOM 0 HG12 VAL A 28 47.619 -18.687 -8.191 1.00 1.12 H new ATOM 0 HG13 VAL A 28 47.519 -19.408 -6.567 1.00 1.12 H new ATOM 0 HG21 VAL A 28 50.398 -20.554 -6.621 1.00 61.10 H new ATOM 0 HG22 VAL A 28 48.989 -21.482 -6.054 1.00 61.10 H new ATOM 0 HG23 VAL A 28 50.016 -22.129 -7.355 1.00 61.10 H new ATOM 368 N ARG A 29 48.540 -22.655 -10.260 1.00 35.24 N ATOM 369 CA ARG A 29 49.140 -23.790 -10.944 1.00 74.24 C ATOM 370 C ARG A 29 50.641 -23.647 -11.007 1.00 40.32 C ATOM 371 O ARG A 29 51.158 -22.999 -11.916 1.00 20.51 O ATOM 372 CB ARG A 29 48.595 -23.898 -12.351 1.00 11.01 C ATOM 373 CG ARG A 29 47.135 -24.225 -12.419 1.00 63.52 C ATOM 374 CD ARG A 29 46.895 -25.558 -11.790 1.00 40.33 C ATOM 375 NE ARG A 29 47.692 -26.611 -12.431 1.00 65.21 N ATOM 376 CZ ARG A 29 48.075 -27.751 -11.857 1.00 15.23 C ATOM 377 NH1 ARG A 29 47.708 -28.033 -10.610 1.00 52.24 N ATOM 378 NH2 ARG A 29 48.819 -28.609 -12.534 1.00 32.15 N ATOM 0 H ARG A 29 48.499 -21.807 -10.826 1.00 35.24 H new ATOM 0 HA ARG A 29 48.891 -24.690 -10.382 1.00 74.24 H new ATOM 0 HB2 ARG A 29 48.770 -22.955 -12.870 1.00 11.01 H new ATOM 0 HB3 ARG A 29 49.153 -24.665 -12.887 1.00 11.01 H new ATOM 0 HG2 ARG A 29 46.555 -23.458 -11.905 1.00 63.52 H new ATOM 0 HG3 ARG A 29 46.801 -24.235 -13.457 1.00 63.52 H new ATOM 0 HD2 ARG A 29 47.141 -25.510 -10.729 1.00 40.33 H new ATOM 0 HD3 ARG A 29 45.837 -25.809 -11.860 1.00 40.33 H new ATOM 0 HE ARG A 29 47.977 -26.457 -13.398 1.00 65.21 H new ATOM 0 HH11 ARG A 29 47.130 -27.375 -10.087 1.00 52.24 H new ATOM 0 HH12 ARG A 29 48.005 -28.907 -10.176 1.00 52.24 H new ATOM 0 HH21 ARG A 29 49.098 -28.397 -13.492 1.00 32.15 H new ATOM 0 HH22 ARG A 29 49.114 -29.483 -12.098 1.00 32.15 H new ATOM 392 N PRO A 30 51.362 -24.249 -10.073 1.00 1.41 N ATOM 393 CA PRO A 30 52.792 -24.087 -9.982 1.00 43.14 C ATOM 394 C PRO A 30 53.569 -25.003 -10.928 1.00 24.23 C ATOM 395 O PRO A 30 53.161 -26.141 -11.218 1.00 23.12 O ATOM 396 CB PRO A 30 53.085 -24.449 -8.526 1.00 54.02 C ATOM 397 CG PRO A 30 52.045 -25.458 -8.167 1.00 53.23 C ATOM 398 CD PRO A 30 50.846 -25.177 -9.038 1.00 55.33 C ATOM 0 HA PRO A 30 53.101 -23.082 -10.269 1.00 43.14 H new ATOM 0 HB2 PRO A 30 54.089 -24.859 -8.415 1.00 54.02 H new ATOM 0 HB3 PRO A 30 53.025 -23.573 -7.881 1.00 54.02 H new ATOM 0 HG2 PRO A 30 52.415 -26.470 -8.333 1.00 53.23 H new ATOM 0 HG3 PRO A 30 51.782 -25.384 -7.112 1.00 53.23 H new ATOM 0 HD2 PRO A 30 50.453 -26.091 -9.482 1.00 55.33 H new ATOM 0 HD3 PRO A 30 50.035 -24.726 -8.467 1.00 55.33 H new ATOM 406 N LYS A 31 54.654 -24.489 -11.437 1.00 71.41 N ATOM 407 CA LYS A 31 55.568 -25.272 -12.225 1.00 13.12 C ATOM 408 C LYS A 31 56.397 -26.161 -11.301 1.00 60.43 C ATOM 409 O LYS A 31 56.495 -25.858 -10.101 1.00 12.54 O ATOM 410 CB LYS A 31 56.447 -24.358 -13.086 1.00 45.42 C ATOM 411 CG LYS A 31 55.684 -23.762 -14.239 1.00 33.03 C ATOM 412 CD LYS A 31 56.547 -22.908 -15.133 1.00 44.22 C ATOM 413 CE LYS A 31 55.787 -22.546 -16.394 1.00 72.11 C ATOM 414 NZ LYS A 31 54.544 -21.798 -16.107 1.00 53.45 N ATOM 0 H LYS A 31 54.931 -23.515 -11.318 1.00 71.41 H new ATOM 0 HA LYS A 31 55.013 -25.916 -12.907 1.00 13.12 H new ATOM 0 HB2 LYS A 31 56.852 -23.557 -12.467 1.00 45.42 H new ATOM 0 HB3 LYS A 31 57.295 -24.926 -13.468 1.00 45.42 H new ATOM 0 HG2 LYS A 31 55.241 -24.564 -14.829 1.00 33.03 H new ATOM 0 HG3 LYS A 31 54.862 -23.160 -13.852 1.00 33.03 H new ATOM 0 HD2 LYS A 31 56.846 -22.002 -14.606 1.00 44.22 H new ATOM 0 HD3 LYS A 31 57.461 -23.444 -15.390 1.00 44.22 H new ATOM 0 HE2 LYS A 31 56.427 -21.947 -17.042 1.00 72.11 H new ATOM 0 HE3 LYS A 31 55.542 -23.456 -16.941 1.00 72.11 H new ATOM 0 HZ1 LYS A 31 54.140 -21.442 -16.997 1.00 53.45 H new ATOM 0 HZ2 LYS A 31 53.859 -22.428 -15.643 1.00 53.45 H new ATOM 0 HZ3 LYS A 31 54.758 -20.997 -15.479 1.00 53.45 H new ATOM 428 N PRO A 32 57.009 -27.261 -11.831 1.00 4.31 N ATOM 429 CA PRO A 32 57.802 -28.246 -11.052 1.00 5.12 C ATOM 430 C PRO A 32 58.811 -27.602 -10.125 1.00 74.20 C ATOM 431 O PRO A 32 59.057 -28.087 -9.057 1.00 50.13 O ATOM 432 CB PRO A 32 58.544 -29.045 -12.141 1.00 54.05 C ATOM 433 CG PRO A 32 58.364 -28.237 -13.371 1.00 52.24 C ATOM 434 CD PRO A 32 56.997 -27.659 -13.241 1.00 71.25 C ATOM 0 HA PRO A 32 57.159 -28.843 -10.404 1.00 5.12 H new ATOM 0 HB2 PRO A 32 59.599 -29.168 -11.896 1.00 54.05 H new ATOM 0 HB3 PRO A 32 58.125 -30.045 -12.256 1.00 54.05 H new ATOM 0 HG2 PRO A 32 59.120 -27.455 -13.447 1.00 52.24 H new ATOM 0 HG3 PRO A 32 58.451 -28.852 -14.266 1.00 52.24 H new ATOM 0 HD2 PRO A 32 56.839 -26.813 -13.909 1.00 71.25 H new ATOM 0 HD3 PRO A 32 56.216 -28.388 -13.460 1.00 71.25 H new ATOM 442 N LEU A 33 59.356 -26.491 -10.547 1.00 43.22 N ATOM 443 CA LEU A 33 60.347 -25.767 -9.782 1.00 61.34 C ATOM 444 C LEU A 33 59.755 -25.264 -8.444 1.00 33.42 C ATOM 445 O LEU A 33 60.347 -25.437 -7.362 1.00 21.42 O ATOM 446 CB LEU A 33 60.877 -24.621 -10.640 1.00 61.22 C ATOM 447 CG LEU A 33 61.459 -25.064 -11.995 1.00 51.04 C ATOM 448 CD1 LEU A 33 61.848 -23.876 -12.850 1.00 51.51 C ATOM 449 CD2 LEU A 33 62.650 -25.990 -11.789 1.00 21.44 C ATOM 0 H LEU A 33 59.124 -26.056 -11.440 1.00 43.22 H new ATOM 0 HA LEU A 33 61.174 -26.427 -9.522 1.00 61.34 H new ATOM 0 HB2 LEU A 33 60.069 -23.912 -10.819 1.00 61.22 H new ATOM 0 HB3 LEU A 33 61.649 -24.091 -10.082 1.00 61.22 H new ATOM 0 HG LEU A 33 60.680 -25.611 -12.526 1.00 51.04 H new ATOM 0 HD11 LEU A 33 62.255 -24.228 -13.798 1.00 51.51 H new ATOM 0 HD12 LEU A 33 60.969 -23.260 -13.038 1.00 51.51 H new ATOM 0 HD13 LEU A 33 62.601 -23.284 -12.330 1.00 51.51 H new ATOM 0 HD21 LEU A 33 63.048 -26.292 -12.758 1.00 21.44 H new ATOM 0 HD22 LEU A 33 63.424 -25.468 -11.226 1.00 21.44 H new ATOM 0 HD23 LEU A 33 62.332 -26.874 -11.235 1.00 21.44 H new ATOM 461 N LEU A 34 58.564 -24.708 -8.512 1.00 3.45 N ATOM 462 CA LEU A 34 57.889 -24.238 -7.319 1.00 64.14 C ATOM 463 C LEU A 34 57.383 -25.430 -6.561 1.00 22.24 C ATOM 464 O LEU A 34 57.616 -25.563 -5.387 1.00 75.12 O ATOM 465 CB LEU A 34 56.711 -23.281 -7.634 1.00 35.35 C ATOM 466 CG LEU A 34 57.046 -21.890 -8.204 1.00 62.21 C ATOM 467 CD1 LEU A 34 57.622 -21.973 -9.608 1.00 72.03 C ATOM 468 CD2 LEU A 34 55.813 -20.996 -8.184 1.00 52.54 C ATOM 0 H LEU A 34 58.043 -24.570 -9.378 1.00 3.45 H new ATOM 0 HA LEU A 34 58.606 -23.669 -6.727 1.00 64.14 H new ATOM 0 HB2 LEU A 34 56.052 -23.783 -8.343 1.00 35.35 H new ATOM 0 HB3 LEU A 34 56.141 -23.138 -6.716 1.00 35.35 H new ATOM 0 HG LEU A 34 57.812 -21.451 -7.565 1.00 62.21 H new ATOM 0 HD11 LEU A 34 57.843 -20.969 -9.970 1.00 72.03 H new ATOM 0 HD12 LEU A 34 58.538 -22.563 -9.591 1.00 72.03 H new ATOM 0 HD13 LEU A 34 56.898 -22.446 -10.271 1.00 72.03 H new ATOM 0 HD21 LEU A 34 56.067 -20.017 -8.590 1.00 52.54 H new ATOM 0 HD22 LEU A 34 55.027 -21.447 -8.789 1.00 52.54 H new ATOM 0 HD23 LEU A 34 55.462 -20.883 -7.158 1.00 52.54 H new ATOM 480 N LEU A 35 56.754 -26.320 -7.286 1.00 65.12 N ATOM 481 CA LEU A 35 56.172 -27.548 -6.762 1.00 5.32 C ATOM 482 C LEU A 35 57.235 -28.352 -5.956 1.00 54.41 C ATOM 483 O LEU A 35 56.946 -28.850 -4.863 1.00 53.44 O ATOM 484 CB LEU A 35 55.606 -28.340 -7.981 1.00 2.42 C ATOM 485 CG LEU A 35 54.674 -29.549 -7.757 1.00 12.12 C ATOM 486 CD1 LEU A 35 55.394 -30.720 -7.137 1.00 24.24 C ATOM 487 CD2 LEU A 35 53.455 -29.154 -6.935 1.00 71.40 C ATOM 0 H LEU A 35 56.624 -26.214 -8.292 1.00 65.12 H new ATOM 0 HA LEU A 35 55.363 -27.345 -6.060 1.00 5.32 H new ATOM 0 HB2 LEU A 35 55.067 -27.628 -8.607 1.00 2.42 H new ATOM 0 HB3 LEU A 35 56.459 -28.693 -8.561 1.00 2.42 H new ATOM 0 HG LEU A 35 54.332 -29.874 -8.740 1.00 12.12 H new ATOM 0 HD11 LEU A 35 54.695 -31.545 -7.000 1.00 24.24 H new ATOM 0 HD12 LEU A 35 56.205 -31.037 -7.792 1.00 24.24 H new ATOM 0 HD13 LEU A 35 55.802 -30.426 -6.170 1.00 24.24 H new ATOM 0 HD21 LEU A 35 52.815 -30.025 -6.792 1.00 71.40 H new ATOM 0 HD22 LEU A 35 53.777 -28.777 -5.964 1.00 71.40 H new ATOM 0 HD23 LEU A 35 52.899 -28.377 -7.459 1.00 71.40 H new ATOM 499 N LYS A 36 58.464 -28.421 -6.470 1.00 42.34 N ATOM 500 CA LYS A 36 59.524 -29.131 -5.792 1.00 34.14 C ATOM 501 C LYS A 36 59.932 -28.427 -4.518 1.00 62.12 C ATOM 502 O LYS A 36 60.241 -29.073 -3.534 1.00 31.42 O ATOM 503 CB LYS A 36 60.733 -29.407 -6.706 1.00 22.41 C ATOM 504 CG LYS A 36 61.604 -28.228 -7.074 1.00 43.13 C ATOM 505 CD LYS A 36 62.716 -27.972 -6.044 1.00 75.31 C ATOM 506 CE LYS A 36 63.490 -26.683 -6.315 1.00 21.21 C ATOM 507 NZ LYS A 36 64.643 -26.531 -5.385 1.00 23.02 N ATOM 0 H LYS A 36 58.739 -27.991 -7.353 1.00 42.34 H new ATOM 0 HA LYS A 36 59.122 -30.106 -5.517 1.00 34.14 H new ATOM 0 HB2 LYS A 36 61.362 -30.152 -6.219 1.00 22.41 H new ATOM 0 HB3 LYS A 36 60.364 -29.855 -7.628 1.00 22.41 H new ATOM 0 HG2 LYS A 36 62.053 -28.403 -8.052 1.00 43.13 H new ATOM 0 HG3 LYS A 36 60.984 -27.336 -7.163 1.00 43.13 H new ATOM 0 HD2 LYS A 36 62.277 -27.924 -5.047 1.00 75.31 H new ATOM 0 HD3 LYS A 36 63.409 -28.814 -6.047 1.00 75.31 H new ATOM 0 HE2 LYS A 36 63.849 -26.683 -7.344 1.00 21.21 H new ATOM 0 HE3 LYS A 36 62.822 -25.828 -6.211 1.00 21.21 H new ATOM 0 HZ1 LYS A 36 64.575 -25.616 -4.895 1.00 23.02 H new ATOM 0 HZ2 LYS A 36 64.629 -27.301 -4.686 1.00 23.02 H new ATOM 0 HZ3 LYS A 36 65.531 -26.570 -5.924 1.00 23.02 H new ATOM 521 N LEU A 37 59.893 -27.090 -4.510 1.00 21.34 N ATOM 522 CA LEU A 37 60.294 -26.373 -3.307 1.00 4.13 C ATOM 523 C LEU A 37 59.185 -26.515 -2.273 1.00 55.22 C ATOM 524 O LEU A 37 59.444 -26.752 -1.097 1.00 44.31 O ATOM 525 CB LEU A 37 60.678 -24.880 -3.596 1.00 20.40 C ATOM 526 CG LEU A 37 59.567 -23.817 -3.799 1.00 70.33 C ATOM 527 CD1 LEU A 37 59.058 -23.268 -2.458 1.00 0.31 C ATOM 528 CD2 LEU A 37 60.072 -22.684 -4.680 1.00 24.22 C ATOM 0 H LEU A 37 59.599 -26.506 -5.293 1.00 21.34 H new ATOM 0 HA LEU A 37 61.207 -26.814 -2.908 1.00 4.13 H new ATOM 0 HB2 LEU A 37 61.304 -24.541 -2.770 1.00 20.40 H new ATOM 0 HB3 LEU A 37 61.300 -24.873 -4.491 1.00 20.40 H new ATOM 0 HG LEU A 37 58.728 -24.305 -4.296 1.00 70.33 H new ATOM 0 HD11 LEU A 37 58.281 -22.526 -2.640 1.00 0.31 H new ATOM 0 HD12 LEU A 37 58.648 -24.084 -1.863 1.00 0.31 H new ATOM 0 HD13 LEU A 37 59.883 -22.804 -1.918 1.00 0.31 H new ATOM 0 HD21 LEU A 37 59.281 -21.946 -4.813 1.00 24.22 H new ATOM 0 HD22 LEU A 37 60.933 -22.212 -4.207 1.00 24.22 H new ATOM 0 HD23 LEU A 37 60.365 -23.081 -5.652 1.00 24.22 H new ATOM 540 N LEU A 38 57.958 -26.435 -2.766 1.00 2.01 N ATOM 541 CA LEU A 38 56.745 -26.580 -1.984 1.00 62.52 C ATOM 542 C LEU A 38 56.714 -27.928 -1.268 1.00 61.11 C ATOM 543 O LEU A 38 56.597 -27.996 -0.040 1.00 21.21 O ATOM 544 CB LEU A 38 55.511 -26.451 -2.914 1.00 42.14 C ATOM 545 CG LEU A 38 54.868 -25.051 -3.144 1.00 23.53 C ATOM 546 CD1 LEU A 38 54.087 -24.618 -1.938 1.00 63.33 C ATOM 547 CD2 LEU A 38 55.874 -23.982 -3.484 1.00 34.23 C ATOM 0 H LEU A 38 57.776 -26.262 -3.755 1.00 2.01 H new ATOM 0 HA LEU A 38 56.722 -25.793 -1.230 1.00 62.52 H new ATOM 0 HB2 LEU A 38 55.795 -26.845 -3.890 1.00 42.14 H new ATOM 0 HB3 LEU A 38 54.735 -27.106 -2.520 1.00 42.14 H new ATOM 0 HG LEU A 38 54.206 -25.168 -4.002 1.00 23.53 H new ATOM 0 HD11 LEU A 38 53.647 -23.638 -2.122 1.00 63.33 H new ATOM 0 HD12 LEU A 38 53.295 -25.340 -1.739 1.00 63.33 H new ATOM 0 HD13 LEU A 38 54.751 -24.562 -1.075 1.00 63.33 H new ATOM 0 HD21 LEU A 38 55.360 -23.032 -3.632 1.00 34.23 H new ATOM 0 HD22 LEU A 38 56.590 -23.884 -2.668 1.00 34.23 H new ATOM 0 HD23 LEU A 38 56.400 -24.255 -4.398 1.00 34.23 H new ATOM 559 N LYS A 39 56.874 -28.997 -2.013 1.00 4.41 N ATOM 560 CA LYS A 39 56.753 -30.316 -1.441 1.00 72.50 C ATOM 561 C LYS A 39 57.954 -30.700 -0.601 1.00 71.11 C ATOM 562 O LYS A 39 57.848 -31.549 0.287 1.00 23.23 O ATOM 563 CB LYS A 39 56.398 -31.373 -2.487 1.00 34.33 C ATOM 564 CG LYS A 39 55.020 -31.155 -3.101 1.00 51.34 C ATOM 565 CD LYS A 39 54.607 -32.304 -4.000 1.00 50.31 C ATOM 566 CE LYS A 39 53.225 -32.060 -4.589 1.00 14.03 C ATOM 567 NZ LYS A 39 52.801 -33.145 -5.497 1.00 31.25 N ATOM 0 H LYS A 39 57.087 -28.979 -3.010 1.00 4.41 H new ATOM 0 HA LYS A 39 55.909 -30.276 -0.752 1.00 72.50 H new ATOM 0 HB2 LYS A 39 57.149 -31.363 -3.277 1.00 34.33 H new ATOM 0 HB3 LYS A 39 56.434 -32.360 -2.026 1.00 34.33 H new ATOM 0 HG2 LYS A 39 54.284 -31.035 -2.306 1.00 51.34 H new ATOM 0 HG3 LYS A 39 55.022 -30.229 -3.675 1.00 51.34 H new ATOM 0 HD2 LYS A 39 55.334 -32.422 -4.804 1.00 50.31 H new ATOM 0 HD3 LYS A 39 54.606 -33.234 -3.432 1.00 50.31 H new ATOM 0 HE2 LYS A 39 52.500 -31.962 -3.781 1.00 14.03 H new ATOM 0 HE3 LYS A 39 53.226 -31.115 -5.132 1.00 14.03 H new ATOM 0 HZ1 LYS A 39 51.928 -32.865 -5.989 1.00 31.25 H new ATOM 0 HZ2 LYS A 39 53.550 -33.325 -6.196 1.00 31.25 H new ATOM 0 HZ3 LYS A 39 52.626 -34.010 -4.947 1.00 31.25 H new ATOM 581 N SER A 40 59.075 -30.041 -0.825 1.00 51.14 N ATOM 582 CA SER A 40 60.249 -30.293 -0.021 1.00 42.10 C ATOM 583 C SER A 40 60.070 -29.729 1.389 1.00 14.45 C ATOM 584 O SER A 40 60.573 -30.287 2.359 1.00 42.43 O ATOM 585 CB SER A 40 61.508 -29.726 -0.672 1.00 12.23 C ATOM 586 OG SER A 40 61.780 -30.376 -1.906 1.00 61.15 O ATOM 0 H SER A 40 59.195 -29.334 -1.551 1.00 51.14 H new ATOM 0 HA SER A 40 60.373 -31.374 0.051 1.00 42.10 H new ATOM 0 HB2 SER A 40 61.385 -28.656 -0.840 1.00 12.23 H new ATOM 0 HB3 SER A 40 62.356 -29.847 0.002 1.00 12.23 H new ATOM 0 HG SER A 40 61.574 -29.769 -2.648 1.00 61.15 H new ATOM 592 N VAL A 41 59.305 -28.653 1.498 1.00 11.22 N ATOM 593 CA VAL A 41 59.087 -28.015 2.782 1.00 71.41 C ATOM 594 C VAL A 41 57.785 -28.466 3.442 1.00 64.32 C ATOM 595 O VAL A 41 57.325 -27.858 4.408 1.00 51.12 O ATOM 596 CB VAL A 41 59.172 -26.470 2.713 1.00 30.34 C ATOM 597 CG1 VAL A 41 60.578 -26.037 2.333 1.00 44.32 C ATOM 598 CG2 VAL A 41 58.167 -25.908 1.730 1.00 74.11 C ATOM 0 H VAL A 41 58.828 -28.207 0.715 1.00 11.22 H new ATOM 0 HA VAL A 41 59.909 -28.349 3.415 1.00 71.41 H new ATOM 0 HB VAL A 41 58.933 -26.076 3.701 1.00 30.34 H new ATOM 0 HG11 VAL A 41 60.624 -24.949 2.288 1.00 44.32 H new ATOM 0 HG12 VAL A 41 61.285 -26.399 3.080 1.00 44.32 H new ATOM 0 HG13 VAL A 41 60.835 -26.452 1.358 1.00 44.32 H new ATOM 0 HG21 VAL A 41 58.251 -24.822 1.704 1.00 74.11 H new ATOM 0 HG22 VAL A 41 58.365 -26.311 0.737 1.00 74.11 H new ATOM 0 HG23 VAL A 41 57.160 -26.186 2.040 1.00 74.11 H new ATOM 608 N GLY A 42 57.200 -29.527 2.922 1.00 13.41 N ATOM 609 CA GLY A 42 56.079 -30.129 3.594 1.00 34.34 C ATOM 610 C GLY A 42 54.726 -29.911 2.952 1.00 74.23 C ATOM 611 O GLY A 42 53.702 -30.195 3.587 1.00 22.34 O ATOM 0 H GLY A 42 57.480 -29.979 2.052 1.00 13.41 H new ATOM 0 HA2 GLY A 42 56.257 -31.202 3.665 1.00 34.34 H new ATOM 0 HA3 GLY A 42 56.042 -29.744 4.613 1.00 34.34 H new ATOM 615 N ALA A 43 54.680 -29.441 1.723 1.00 52.43 N ATOM 616 CA ALA A 43 53.399 -29.255 1.061 1.00 31.35 C ATOM 617 C ALA A 43 52.930 -30.574 0.479 1.00 13.11 C ATOM 618 O ALA A 43 53.707 -31.283 -0.161 1.00 2.23 O ATOM 619 CB ALA A 43 53.493 -28.203 -0.026 1.00 2.41 C ATOM 0 H ALA A 43 55.496 -29.184 1.168 1.00 52.43 H new ATOM 0 HA ALA A 43 52.675 -28.908 1.798 1.00 31.35 H new ATOM 0 HB1 ALA A 43 52.520 -28.085 -0.504 1.00 2.41 H new ATOM 0 HB2 ALA A 43 53.799 -27.253 0.412 1.00 2.41 H new ATOM 0 HB3 ALA A 43 54.227 -28.513 -0.770 1.00 2.41 H new ATOM 625 N GLN A 44 51.690 -30.925 0.739 1.00 11.11 N ATOM 626 CA GLN A 44 51.126 -32.179 0.246 1.00 14.10 C ATOM 627 C GLN A 44 50.163 -31.932 -0.892 1.00 41.31 C ATOM 628 O GLN A 44 49.713 -32.873 -1.558 1.00 14.35 O ATOM 629 CB GLN A 44 50.386 -32.912 1.348 1.00 34.11 C ATOM 630 CG GLN A 44 51.217 -33.209 2.564 1.00 12.52 C ATOM 631 CD GLN A 44 50.444 -34.014 3.575 1.00 43.54 C ATOM 632 OE1 GLN A 44 49.760 -33.461 4.435 1.00 52.22 O ATOM 633 NE2 GLN A 44 50.550 -35.310 3.501 1.00 5.12 N ATOM 0 H GLN A 44 51.044 -30.362 1.291 1.00 11.11 H new ATOM 0 HA GLN A 44 51.960 -32.787 -0.105 1.00 14.10 H new ATOM 0 HB2 GLN A 44 49.524 -32.316 1.649 1.00 34.11 H new ATOM 0 HB3 GLN A 44 50.001 -33.850 0.948 1.00 34.11 H new ATOM 0 HG2 GLN A 44 52.113 -33.756 2.270 1.00 12.52 H new ATOM 0 HG3 GLN A 44 51.548 -32.275 3.017 1.00 12.52 H new ATOM 0 HE21 GLN A 44 51.126 -35.734 2.774 1.00 5.12 H new ATOM 0 HE22 GLN A 44 50.056 -35.901 4.170 1.00 5.12 H new ATOM 642 N LYS A 45 49.855 -30.689 -1.125 1.00 34.22 N ATOM 643 CA LYS A 45 48.915 -30.331 -2.156 1.00 1.22 C ATOM 644 C LYS A 45 49.600 -30.187 -3.480 1.00 34.45 C ATOM 645 O LYS A 45 50.827 -30.196 -3.567 1.00 73.42 O ATOM 646 CB LYS A 45 48.243 -29.006 -1.848 1.00 41.14 C ATOM 647 CG LYS A 45 47.222 -29.013 -0.753 1.00 41.43 C ATOM 648 CD LYS A 45 46.679 -27.616 -0.582 1.00 52.41 C ATOM 649 CE LYS A 45 45.496 -27.589 0.320 1.00 2.42 C ATOM 650 NZ LYS A 45 45.003 -26.212 0.530 1.00 21.35 N ATOM 0 H LYS A 45 50.243 -29.898 -0.612 1.00 34.22 H new ATOM 0 HA LYS A 45 48.175 -31.131 -2.195 1.00 1.22 H new ATOM 0 HB2 LYS A 45 49.017 -28.283 -1.588 1.00 41.14 H new ATOM 0 HB3 LYS A 45 47.764 -28.647 -2.759 1.00 41.14 H new ATOM 0 HG2 LYS A 45 46.415 -29.704 -0.995 1.00 41.43 H new ATOM 0 HG3 LYS A 45 47.670 -29.360 0.178 1.00 41.43 H new ATOM 0 HD2 LYS A 45 47.459 -26.970 -0.178 1.00 52.41 H new ATOM 0 HD3 LYS A 45 46.403 -27.212 -1.556 1.00 52.41 H new ATOM 0 HE2 LYS A 45 44.700 -28.200 -0.105 1.00 2.42 H new ATOM 0 HE3 LYS A 45 45.760 -28.032 1.280 1.00 2.42 H new ATOM 0 HZ1 LYS A 45 44.631 -26.120 1.497 1.00 21.35 H new ATOM 0 HZ2 LYS A 45 45.784 -25.539 0.394 1.00 21.35 H new ATOM 0 HZ3 LYS A 45 44.246 -26.006 -0.153 1.00 21.35 H new ATOM 664 N ASP A 46 48.804 -30.088 -4.506 1.00 71.23 N ATOM 665 CA ASP A 46 49.290 -29.792 -5.834 1.00 33.11 C ATOM 666 C ASP A 46 48.759 -28.438 -6.248 1.00 43.41 C ATOM 667 O ASP A 46 49.089 -27.919 -7.311 1.00 45.42 O ATOM 668 CB ASP A 46 48.886 -30.861 -6.860 1.00 22.43 C ATOM 669 CG ASP A 46 49.504 -32.213 -6.603 1.00 54.13 C ATOM 670 OD1 ASP A 46 50.683 -32.435 -6.963 1.00 45.24 O ATOM 671 OD2 ASP A 46 48.815 -33.095 -6.050 1.00 72.22 O ATOM 0 H ASP A 46 47.793 -30.210 -4.450 1.00 71.23 H new ATOM 0 HA ASP A 46 50.380 -29.786 -5.808 1.00 33.11 H new ATOM 0 HB2 ASP A 46 47.801 -30.961 -6.859 1.00 22.43 H new ATOM 0 HB3 ASP A 46 49.174 -30.523 -7.856 1.00 22.43 H new ATOM 676 N THR A 47 47.923 -27.864 -5.395 1.00 73.34 N ATOM 677 CA THR A 47 47.394 -26.550 -5.619 1.00 64.41 C ATOM 678 C THR A 47 47.513 -25.763 -4.371 1.00 71.43 C ATOM 679 O THR A 47 47.321 -26.293 -3.288 1.00 40.44 O ATOM 680 CB THR A 47 45.941 -26.558 -6.042 1.00 20.33 C ATOM 681 OG1 THR A 47 45.212 -27.580 -5.320 1.00 44.41 O ATOM 682 CG2 THR A 47 45.782 -26.709 -7.547 1.00 54.35 C ATOM 0 H THR A 47 47.600 -28.305 -4.534 1.00 73.34 H new ATOM 0 HA THR A 47 47.971 -26.110 -6.432 1.00 64.41 H new ATOM 0 HB THR A 47 45.514 -25.588 -5.786 1.00 20.33 H new ATOM 0 HG1 THR A 47 45.541 -27.627 -4.398 1.00 44.41 H new ATOM 0 HG21 THR A 47 44.722 -26.709 -7.803 1.00 54.35 H new ATOM 0 HG22 THR A 47 46.276 -25.878 -8.050 1.00 54.35 H new ATOM 0 HG23 THR A 47 46.233 -27.648 -7.868 1.00 54.35 H new ATOM 690 N TYR A 48 47.833 -24.523 -4.498 1.00 21.32 N ATOM 691 CA TYR A 48 48.066 -23.712 -3.341 1.00 72.11 C ATOM 692 C TYR A 48 47.459 -22.363 -3.579 1.00 63.32 C ATOM 693 O TYR A 48 47.336 -21.953 -4.729 1.00 44.22 O ATOM 694 CB TYR A 48 49.572 -23.521 -3.160 1.00 30.34 C ATOM 695 CG TYR A 48 50.399 -24.786 -3.278 1.00 40.51 C ATOM 696 CD1 TYR A 48 50.388 -25.753 -2.288 1.00 21.34 C ATOM 697 CD2 TYR A 48 51.173 -25.016 -4.413 1.00 63.43 C ATOM 698 CE1 TYR A 48 51.127 -26.910 -2.424 1.00 2.02 C ATOM 699 CE2 TYR A 48 51.910 -26.168 -4.551 1.00 12.51 C ATOM 700 CZ TYR A 48 51.886 -27.110 -3.559 1.00 2.34 C ATOM 701 OH TYR A 48 52.631 -28.259 -3.697 1.00 72.12 O ATOM 0 H TYR A 48 47.941 -24.042 -5.391 1.00 21.32 H new ATOM 0 HA TYR A 48 47.633 -24.188 -2.461 1.00 72.11 H new ATOM 0 HB2 TYR A 48 49.924 -22.805 -3.903 1.00 30.34 H new ATOM 0 HB3 TYR A 48 49.751 -23.078 -2.180 1.00 30.34 H new ATOM 0 HD1 TYR A 48 49.794 -25.600 -1.399 1.00 21.34 H new ATOM 0 HD2 TYR A 48 51.194 -24.276 -5.199 1.00 63.43 H new ATOM 0 HE1 TYR A 48 51.112 -27.657 -1.644 1.00 2.02 H new ATOM 0 HE2 TYR A 48 52.505 -26.329 -5.438 1.00 12.51 H new ATOM 0 HH TYR A 48 52.043 -29.040 -3.628 1.00 72.12 H new ATOM 711 N THR A 49 47.039 -21.699 -2.539 1.00 4.35 N ATOM 712 CA THR A 49 46.617 -20.342 -2.667 1.00 1.34 C ATOM 713 C THR A 49 47.852 -19.467 -2.539 1.00 15.00 C ATOM 714 O THR A 49 48.908 -19.960 -2.107 1.00 52.25 O ATOM 715 CB THR A 49 45.590 -19.968 -1.575 1.00 51.02 C ATOM 716 OG1 THR A 49 46.102 -20.309 -0.283 1.00 64.22 O ATOM 717 CG2 THR A 49 44.271 -20.679 -1.794 1.00 61.52 C ATOM 0 H THR A 49 46.982 -22.080 -1.595 1.00 4.35 H new ATOM 0 HA THR A 49 46.131 -20.196 -3.632 1.00 1.34 H new ATOM 0 HB THR A 49 45.419 -18.893 -1.633 1.00 51.02 H new ATOM 0 HG1 THR A 49 45.877 -21.240 -0.077 1.00 64.22 H new ATOM 0 HG21 THR A 49 43.570 -20.395 -1.009 1.00 61.52 H new ATOM 0 HG22 THR A 49 43.863 -20.398 -2.765 1.00 61.52 H new ATOM 0 HG23 THR A 49 44.430 -21.757 -1.766 1.00 61.52 H new ATOM 725 N MET A 50 47.742 -18.189 -2.876 1.00 21.14 N ATOM 726 CA MET A 50 48.887 -17.258 -2.756 1.00 1.43 C ATOM 727 C MET A 50 49.409 -17.215 -1.322 1.00 72.53 C ATOM 728 O MET A 50 50.604 -17.059 -1.076 1.00 74.21 O ATOM 729 CB MET A 50 48.509 -15.841 -3.197 1.00 22.31 C ATOM 730 CG MET A 50 48.186 -15.690 -4.675 1.00 4.50 C ATOM 731 SD MET A 50 49.547 -16.192 -5.764 1.00 33.11 S ATOM 732 CE MET A 50 50.888 -15.165 -5.157 1.00 73.31 C ATOM 0 H MET A 50 46.886 -17.764 -3.233 1.00 21.14 H new ATOM 0 HA MET A 50 49.670 -17.633 -3.415 1.00 1.43 H new ATOM 0 HB2 MET A 50 47.646 -15.515 -2.617 1.00 22.31 H new ATOM 0 HB3 MET A 50 49.331 -15.169 -2.950 1.00 22.31 H new ATOM 0 HG2 MET A 50 47.304 -16.286 -4.909 1.00 4.50 H new ATOM 0 HG3 MET A 50 47.931 -14.650 -4.879 1.00 4.50 H new ATOM 0 HE1 MET A 50 51.556 -14.914 -5.981 1.00 73.31 H new ATOM 0 HE2 MET A 50 50.480 -14.249 -4.729 1.00 73.31 H new ATOM 0 HE3 MET A 50 51.444 -15.707 -4.392 1.00 73.31 H new ATOM 742 N LYS A 51 48.503 -17.406 -0.393 1.00 14.32 N ATOM 743 CA LYS A 51 48.812 -17.378 1.019 1.00 64.44 C ATOM 744 C LYS A 51 49.603 -18.618 1.431 1.00 30.11 C ATOM 745 O LYS A 51 50.515 -18.545 2.243 1.00 14.04 O ATOM 746 CB LYS A 51 47.526 -17.262 1.813 1.00 41.10 C ATOM 747 CG LYS A 51 46.723 -16.018 1.452 1.00 73.21 C ATOM 748 CD LYS A 51 45.558 -15.792 2.391 1.00 42.42 C ATOM 749 CE LYS A 51 44.789 -14.537 2.002 1.00 70.32 C ATOM 750 NZ LYS A 51 43.841 -14.128 3.051 1.00 25.31 N ATOM 0 H LYS A 51 47.520 -17.587 -0.597 1.00 14.32 H new ATOM 0 HA LYS A 51 49.438 -16.511 1.230 1.00 64.44 H new ATOM 0 HB2 LYS A 51 46.915 -18.147 1.638 1.00 41.10 H new ATOM 0 HB3 LYS A 51 47.761 -17.242 2.877 1.00 41.10 H new ATOM 0 HG2 LYS A 51 47.378 -15.147 1.473 1.00 73.21 H new ATOM 0 HG3 LYS A 51 46.351 -16.112 0.432 1.00 73.21 H new ATOM 0 HD2 LYS A 51 44.892 -16.655 2.367 1.00 42.42 H new ATOM 0 HD3 LYS A 51 45.922 -15.699 3.414 1.00 42.42 H new ATOM 0 HE2 LYS A 51 45.491 -13.726 1.811 1.00 70.32 H new ATOM 0 HE3 LYS A 51 44.248 -14.716 1.073 1.00 70.32 H new ATOM 0 HZ1 LYS A 51 43.243 -13.355 2.696 1.00 25.31 H new ATOM 0 HZ2 LYS A 51 43.242 -14.937 3.312 1.00 25.31 H new ATOM 0 HZ3 LYS A 51 44.367 -13.803 3.887 1.00 25.31 H new ATOM 764 N GLU A 52 49.294 -19.736 0.814 1.00 55.54 N ATOM 765 CA GLU A 52 49.986 -20.990 1.098 1.00 75.23 C ATOM 766 C GLU A 52 51.389 -20.950 0.540 1.00 14.34 C ATOM 767 O GLU A 52 52.306 -21.575 1.081 1.00 34.14 O ATOM 768 CB GLU A 52 49.206 -22.179 0.561 1.00 51.14 C ATOM 769 CG GLU A 52 47.920 -22.417 1.315 1.00 60.21 C ATOM 770 CD GLU A 52 47.026 -23.409 0.644 1.00 40.45 C ATOM 771 OE1 GLU A 52 46.229 -22.989 -0.219 1.00 34.40 O ATOM 772 OE2 GLU A 52 47.072 -24.607 0.973 1.00 4.25 O ATOM 0 H GLU A 52 48.564 -19.811 0.106 1.00 55.54 H new ATOM 0 HA GLU A 52 50.055 -21.111 2.179 1.00 75.23 H new ATOM 0 HB2 GLU A 52 48.980 -22.015 -0.493 1.00 51.14 H new ATOM 0 HB3 GLU A 52 49.827 -23.073 0.618 1.00 51.14 H new ATOM 0 HG2 GLU A 52 48.154 -22.768 2.320 1.00 60.21 H new ATOM 0 HG3 GLU A 52 47.388 -21.472 1.423 1.00 60.21 H new ATOM 779 N VAL A 53 51.563 -20.177 -0.516 1.00 43.32 N ATOM 780 CA VAL A 53 52.870 -19.956 -1.085 1.00 51.12 C ATOM 781 C VAL A 53 53.684 -19.167 -0.087 1.00 21.10 C ATOM 782 O VAL A 53 54.791 -19.510 0.177 1.00 11.23 O ATOM 783 CB VAL A 53 52.791 -19.195 -2.421 1.00 30.31 C ATOM 784 CG1 VAL A 53 54.149 -19.097 -3.079 1.00 1.34 C ATOM 785 CG2 VAL A 53 51.798 -19.851 -3.345 1.00 10.42 C ATOM 0 H VAL A 53 50.806 -19.690 -0.997 1.00 43.32 H new ATOM 0 HA VAL A 53 53.336 -20.919 -1.294 1.00 51.12 H new ATOM 0 HB VAL A 53 52.451 -18.181 -2.209 1.00 30.31 H new ATOM 0 HG11 VAL A 53 54.059 -18.554 -4.020 1.00 1.34 H new ATOM 0 HG12 VAL A 53 54.836 -18.567 -2.419 1.00 1.34 H new ATOM 0 HG13 VAL A 53 54.532 -20.099 -3.273 1.00 1.34 H new ATOM 0 HG21 VAL A 53 51.756 -19.299 -4.284 1.00 10.42 H new ATOM 0 HG22 VAL A 53 52.107 -20.878 -3.541 1.00 10.42 H new ATOM 0 HG23 VAL A 53 50.812 -19.851 -2.879 1.00 10.42 H new ATOM 795 N LEU A 54 53.091 -18.140 0.501 1.00 70.30 N ATOM 796 CA LEU A 54 53.762 -17.368 1.560 1.00 2.43 C ATOM 797 C LEU A 54 54.227 -18.304 2.664 1.00 14.03 C ATOM 798 O LEU A 54 55.356 -18.215 3.144 1.00 21.52 O ATOM 799 CB LEU A 54 52.844 -16.297 2.176 1.00 11.33 C ATOM 800 CG LEU A 54 52.246 -15.261 1.232 1.00 21.01 C ATOM 801 CD1 LEU A 54 51.497 -14.195 2.002 1.00 70.35 C ATOM 802 CD2 LEU A 54 53.300 -14.671 0.315 1.00 72.44 C ATOM 0 H LEU A 54 52.152 -17.815 0.272 1.00 70.30 H new ATOM 0 HA LEU A 54 54.610 -16.863 1.097 1.00 2.43 H new ATOM 0 HB2 LEU A 54 52.023 -16.806 2.681 1.00 11.33 H new ATOM 0 HB3 LEU A 54 53.410 -15.768 2.942 1.00 11.33 H new ATOM 0 HG LEU A 54 51.522 -15.766 0.592 1.00 21.01 H new ATOM 0 HD11 LEU A 54 51.080 -13.468 1.305 1.00 70.35 H new ATOM 0 HD12 LEU A 54 50.690 -14.657 2.571 1.00 70.35 H new ATOM 0 HD13 LEU A 54 52.181 -13.692 2.685 1.00 70.35 H new ATOM 0 HD21 LEU A 54 52.838 -13.936 -0.344 1.00 72.44 H new ATOM 0 HD22 LEU A 54 54.073 -14.188 0.913 1.00 72.44 H new ATOM 0 HD23 LEU A 54 53.747 -15.465 -0.283 1.00 72.44 H new ATOM 814 N PHE A 55 53.391 -19.252 3.010 1.00 3.44 N ATOM 815 CA PHE A 55 53.756 -20.173 4.048 1.00 31.34 C ATOM 816 C PHE A 55 54.884 -21.102 3.614 1.00 34.30 C ATOM 817 O PHE A 55 55.948 -21.076 4.201 1.00 13.01 O ATOM 818 CB PHE A 55 52.558 -20.947 4.615 1.00 43.03 C ATOM 819 CG PHE A 55 51.565 -20.070 5.338 1.00 50.44 C ATOM 820 CD1 PHE A 55 51.975 -19.271 6.397 1.00 43.53 C ATOM 821 CD2 PHE A 55 50.237 -20.030 4.955 1.00 13.12 C ATOM 822 CE1 PHE A 55 51.079 -18.454 7.056 1.00 44.21 C ATOM 823 CE2 PHE A 55 49.337 -19.213 5.608 1.00 72.04 C ATOM 824 CZ PHE A 55 49.759 -18.424 6.661 1.00 42.14 C ATOM 0 H PHE A 55 52.471 -19.402 2.595 1.00 3.44 H new ATOM 0 HA PHE A 55 54.136 -19.566 4.870 1.00 31.34 H new ATOM 0 HB2 PHE A 55 52.050 -21.463 3.800 1.00 43.03 H new ATOM 0 HB3 PHE A 55 52.921 -21.713 5.300 1.00 43.03 H new ATOM 0 HD1 PHE A 55 53.009 -19.289 6.709 1.00 43.53 H new ATOM 0 HD2 PHE A 55 49.900 -20.646 4.134 1.00 13.12 H new ATOM 0 HE1 PHE A 55 51.412 -17.839 7.880 1.00 44.21 H new ATOM 0 HE2 PHE A 55 48.303 -19.190 5.296 1.00 72.04 H new ATOM 0 HZ PHE A 55 49.055 -17.785 7.174 1.00 42.14 H new ATOM 834 N TYR A 56 54.684 -21.856 2.559 1.00 63.30 N ATOM 835 CA TYR A 56 55.678 -22.838 2.132 1.00 1.22 C ATOM 836 C TYR A 56 56.905 -22.241 1.461 1.00 62.54 C ATOM 837 O TYR A 56 58.023 -22.678 1.731 1.00 21.03 O ATOM 838 CB TYR A 56 55.070 -23.897 1.255 1.00 51.34 C ATOM 839 CG TYR A 56 54.093 -24.772 1.967 1.00 64.03 C ATOM 840 CD1 TYR A 56 54.529 -25.665 2.922 1.00 33.42 C ATOM 841 CD2 TYR A 56 52.742 -24.696 1.700 1.00 1.33 C ATOM 842 CE1 TYR A 56 53.644 -26.471 3.598 1.00 32.12 C ATOM 843 CE2 TYR A 56 51.844 -25.494 2.369 1.00 50.53 C ATOM 844 CZ TYR A 56 52.301 -26.382 3.319 1.00 61.21 C ATOM 845 OH TYR A 56 51.414 -27.181 3.990 1.00 44.45 O ATOM 0 H TYR A 56 53.848 -21.816 1.976 1.00 63.30 H new ATOM 0 HA TYR A 56 56.029 -23.294 3.058 1.00 1.22 H new ATOM 0 HB2 TYR A 56 54.570 -23.417 0.414 1.00 51.34 H new ATOM 0 HB3 TYR A 56 55.866 -24.516 0.842 1.00 51.34 H new ATOM 0 HD1 TYR A 56 55.584 -25.733 3.143 1.00 33.42 H new ATOM 0 HD2 TYR A 56 52.385 -24.000 0.955 1.00 1.33 H new ATOM 0 HE1 TYR A 56 54.001 -27.168 4.342 1.00 32.12 H new ATOM 0 HE2 TYR A 56 50.788 -25.425 2.152 1.00 50.53 H new ATOM 0 HH TYR A 56 50.504 -26.995 3.677 1.00 44.45 H new ATOM 855 N LEU A 57 56.719 -21.240 0.615 1.00 33.41 N ATOM 856 CA LEU A 57 57.847 -20.640 -0.084 1.00 40.31 C ATOM 857 C LEU A 57 58.716 -19.942 0.969 1.00 40.54 C ATOM 858 O LEU A 57 59.948 -19.947 0.903 1.00 5.14 O ATOM 859 CB LEU A 57 57.347 -19.642 -1.173 1.00 53.03 C ATOM 860 CG LEU A 57 58.275 -19.367 -2.382 1.00 24.54 C ATOM 861 CD1 LEU A 57 57.596 -18.475 -3.401 1.00 53.32 C ATOM 862 CD2 LEU A 57 59.588 -18.753 -1.981 1.00 3.30 C ATOM 0 H LEU A 57 55.811 -20.830 0.397 1.00 33.41 H new ATOM 0 HA LEU A 57 58.433 -21.398 -0.604 1.00 40.31 H new ATOM 0 HB2 LEU A 57 56.397 -20.014 -1.558 1.00 53.03 H new ATOM 0 HB3 LEU A 57 57.142 -18.689 -0.685 1.00 53.03 H new ATOM 0 HG LEU A 57 58.482 -20.340 -2.827 1.00 24.54 H new ATOM 0 HD11 LEU A 57 58.271 -18.299 -4.238 1.00 53.32 H new ATOM 0 HD12 LEU A 57 56.689 -18.960 -3.762 1.00 53.32 H new ATOM 0 HD13 LEU A 57 57.338 -17.523 -2.937 1.00 53.32 H new ATOM 0 HD21 LEU A 57 60.196 -18.583 -2.869 1.00 3.30 H new ATOM 0 HD22 LEU A 57 59.407 -17.803 -1.478 1.00 3.30 H new ATOM 0 HD23 LEU A 57 60.114 -19.427 -1.305 1.00 3.30 H new ATOM 874 N GLY A 58 58.040 -19.415 1.979 1.00 34.05 N ATOM 875 CA GLY A 58 58.704 -18.769 3.086 1.00 74.30 C ATOM 876 C GLY A 58 59.584 -19.720 3.845 1.00 10.41 C ATOM 877 O GLY A 58 60.706 -19.366 4.203 1.00 32.52 O ATOM 0 H GLY A 58 57.022 -19.426 2.048 1.00 34.05 H new ATOM 0 HA2 GLY A 58 59.304 -17.938 2.714 1.00 74.30 H new ATOM 0 HA3 GLY A 58 57.958 -18.348 3.760 1.00 74.30 H new ATOM 881 N GLN A 59 59.087 -20.949 4.051 1.00 63.23 N ATOM 882 CA GLN A 59 59.843 -21.991 4.756 1.00 64.13 C ATOM 883 C GLN A 59 61.145 -22.201 4.035 1.00 12.12 C ATOM 884 O GLN A 59 62.204 -22.113 4.620 1.00 60.00 O ATOM 885 CB GLN A 59 59.093 -23.338 4.756 1.00 61.45 C ATOM 886 CG GLN A 59 57.668 -23.278 5.236 1.00 71.21 C ATOM 887 CD GLN A 59 57.524 -22.800 6.651 1.00 24.51 C ATOM 888 OE1 GLN A 59 58.376 -23.041 7.505 1.00 74.24 O ATOM 889 NE2 GLN A 59 56.483 -22.079 6.899 1.00 73.55 N ATOM 0 H GLN A 59 58.162 -21.244 3.738 1.00 63.23 H new ATOM 0 HA GLN A 59 59.988 -21.665 5.786 1.00 64.13 H new ATOM 0 HB2 GLN A 59 59.102 -23.740 3.743 1.00 61.45 H new ATOM 0 HB3 GLN A 59 59.641 -24.041 5.383 1.00 61.45 H new ATOM 0 HG2 GLN A 59 57.101 -22.617 4.580 1.00 71.21 H new ATOM 0 HG3 GLN A 59 57.224 -24.270 5.151 1.00 71.21 H new ATOM 0 HE21 GLN A 59 55.799 -21.902 6.164 1.00 73.55 H new ATOM 0 HE22 GLN A 59 56.345 -21.686 7.830 1.00 73.55 H new ATOM 898 N TYR A 60 61.023 -22.409 2.741 1.00 52.35 N ATOM 899 CA TYR A 60 62.122 -22.700 1.835 1.00 12.25 C ATOM 900 C TYR A 60 63.234 -21.644 1.915 1.00 54.12 C ATOM 901 O TYR A 60 64.402 -21.977 2.089 1.00 53.15 O ATOM 902 CB TYR A 60 61.547 -22.801 0.422 1.00 33.44 C ATOM 903 CG TYR A 60 62.512 -23.179 -0.669 1.00 22.14 C ATOM 904 CD1 TYR A 60 63.059 -24.455 -0.732 1.00 3.25 C ATOM 905 CD2 TYR A 60 62.835 -22.276 -1.669 1.00 22.44 C ATOM 906 CE1 TYR A 60 63.897 -24.816 -1.765 1.00 41.23 C ATOM 907 CE2 TYR A 60 63.677 -22.626 -2.696 1.00 63.13 C ATOM 908 CZ TYR A 60 64.205 -23.895 -2.742 1.00 64.01 C ATOM 909 OH TYR A 60 65.018 -24.253 -3.785 1.00 62.05 O ATOM 0 H TYR A 60 60.119 -22.379 2.269 1.00 52.35 H new ATOM 0 HA TYR A 60 62.590 -23.642 2.120 1.00 12.25 H new ATOM 0 HB2 TYR A 60 60.740 -23.534 0.433 1.00 33.44 H new ATOM 0 HB3 TYR A 60 61.101 -21.840 0.165 1.00 33.44 H new ATOM 0 HD1 TYR A 60 62.824 -25.174 0.039 1.00 3.25 H new ATOM 0 HD2 TYR A 60 62.418 -21.280 -1.640 1.00 22.44 H new ATOM 0 HE1 TYR A 60 64.309 -25.813 -1.808 1.00 41.23 H new ATOM 0 HE2 TYR A 60 63.923 -21.908 -3.464 1.00 63.13 H new ATOM 0 HH TYR A 60 65.342 -23.447 -4.239 1.00 62.05 H new ATOM 919 N ILE A 61 62.859 -20.385 1.865 1.00 22.33 N ATOM 920 CA ILE A 61 63.832 -19.298 1.880 1.00 54.32 C ATOM 921 C ILE A 61 64.453 -19.184 3.260 1.00 22.41 C ATOM 922 O ILE A 61 65.680 -19.033 3.411 1.00 45.34 O ATOM 923 CB ILE A 61 63.170 -17.933 1.532 1.00 71.30 C ATOM 924 CG1 ILE A 61 62.466 -17.988 0.180 1.00 3.12 C ATOM 925 CG2 ILE A 61 64.208 -16.801 1.521 1.00 71.24 C ATOM 926 CD1 ILE A 61 61.774 -16.690 -0.193 1.00 12.42 C ATOM 0 H ILE A 61 61.887 -20.081 1.813 1.00 22.33 H new ATOM 0 HA ILE A 61 64.590 -19.528 1.131 1.00 54.32 H new ATOM 0 HB ILE A 61 62.431 -17.730 2.307 1.00 71.30 H new ATOM 0 HG12 ILE A 61 63.195 -18.237 -0.591 1.00 3.12 H new ATOM 0 HG13 ILE A 61 61.730 -18.792 0.194 1.00 3.12 H new ATOM 0 HG21 ILE A 61 63.717 -15.859 1.275 1.00 71.24 H new ATOM 0 HG22 ILE A 61 64.671 -16.722 2.505 1.00 71.24 H new ATOM 0 HG23 ILE A 61 64.974 -17.017 0.776 1.00 71.24 H new ATOM 0 HD11 ILE A 61 61.294 -16.800 -1.166 1.00 12.42 H new ATOM 0 HD12 ILE A 61 61.021 -16.450 0.558 1.00 12.42 H new ATOM 0 HD13 ILE A 61 62.509 -15.886 -0.240 1.00 12.42 H new ATOM 938 N MET A 62 63.615 -19.305 4.258 1.00 72.44 N ATOM 939 CA MET A 62 64.009 -19.099 5.623 1.00 41.23 C ATOM 940 C MET A 62 64.879 -20.237 6.149 1.00 61.21 C ATOM 941 O MET A 62 65.896 -19.997 6.780 1.00 12.42 O ATOM 942 CB MET A 62 62.775 -18.905 6.491 1.00 32.32 C ATOM 943 CG MET A 62 63.046 -18.502 7.924 1.00 13.52 C ATOM 944 SD MET A 62 61.532 -18.192 8.867 1.00 44.31 S ATOM 945 CE MET A 62 60.661 -19.748 8.672 1.00 63.31 C ATOM 0 H MET A 62 62.632 -19.552 4.142 1.00 72.44 H new ATOM 0 HA MET A 62 64.620 -18.197 5.665 1.00 41.23 H new ATOM 0 HB2 MET A 62 62.144 -18.145 6.031 1.00 32.32 H new ATOM 0 HB3 MET A 62 62.204 -19.834 6.494 1.00 32.32 H new ATOM 0 HG2 MET A 62 63.619 -19.288 8.415 1.00 13.52 H new ATOM 0 HG3 MET A 62 63.664 -17.604 7.933 1.00 13.52 H new ATOM 0 HE1 MET A 62 59.888 -19.830 9.436 1.00 63.31 H new ATOM 0 HE2 MET A 62 60.201 -19.786 7.685 1.00 63.31 H new ATOM 0 HE3 MET A 62 61.364 -20.574 8.777 1.00 63.31 H new ATOM 955 N THR A 63 64.506 -21.461 5.830 1.00 24.30 N ATOM 956 CA THR A 63 65.211 -22.642 6.324 1.00 13.21 C ATOM 957 C THR A 63 66.621 -22.735 5.708 1.00 64.20 C ATOM 958 O THR A 63 67.568 -23.197 6.348 1.00 74.44 O ATOM 959 CB THR A 63 64.393 -23.965 6.069 1.00 32.20 C ATOM 960 OG1 THR A 63 64.986 -25.069 6.770 1.00 73.21 O ATOM 961 CG2 THR A 63 64.318 -24.310 4.581 1.00 71.34 C ATOM 0 H THR A 63 63.712 -21.671 5.225 1.00 24.30 H new ATOM 0 HA THR A 63 65.315 -22.532 7.403 1.00 13.21 H new ATOM 0 HB THR A 63 63.383 -23.788 6.439 1.00 32.20 H new ATOM 0 HG1 THR A 63 64.465 -25.881 6.602 1.00 73.21 H new ATOM 0 HG21 THR A 63 63.746 -25.228 4.449 1.00 71.34 H new ATOM 0 HG22 THR A 63 63.829 -23.497 4.043 1.00 71.34 H new ATOM 0 HG23 THR A 63 65.325 -24.450 4.189 1.00 71.34 H new ATOM 969 N LYS A 64 66.758 -22.240 4.500 1.00 74.50 N ATOM 970 CA LYS A 64 68.022 -22.246 3.797 1.00 35.22 C ATOM 971 C LYS A 64 68.821 -21.028 4.171 1.00 24.12 C ATOM 972 O LYS A 64 70.038 -20.978 3.952 1.00 50.03 O ATOM 973 CB LYS A 64 67.761 -22.195 2.314 1.00 41.22 C ATOM 974 CG LYS A 64 67.129 -23.421 1.721 1.00 22.42 C ATOM 975 CD LYS A 64 68.100 -24.577 1.631 1.00 13.51 C ATOM 976 CE LYS A 64 67.463 -25.747 0.918 1.00 12.10 C ATOM 977 NZ LYS A 64 68.416 -26.852 0.679 1.00 42.24 N ATOM 0 H LYS A 64 65.992 -21.819 3.974 1.00 74.50 H new ATOM 0 HA LYS A 64 68.571 -23.149 4.063 1.00 35.22 H new ATOM 0 HB2 LYS A 64 67.117 -21.340 2.106 1.00 41.22 H new ATOM 0 HB3 LYS A 64 68.707 -22.013 1.803 1.00 41.22 H new ATOM 0 HG2 LYS A 64 66.272 -23.715 2.327 1.00 22.42 H new ATOM 0 HG3 LYS A 64 66.751 -23.188 0.726 1.00 22.42 H new ATOM 0 HD2 LYS A 64 68.999 -24.265 1.099 1.00 13.51 H new ATOM 0 HD3 LYS A 64 68.410 -24.878 2.632 1.00 13.51 H new ATOM 0 HE2 LYS A 64 66.625 -26.116 1.509 1.00 12.10 H new ATOM 0 HE3 LYS A 64 67.056 -25.410 -0.035 1.00 12.10 H new ATOM 0 HZ1 LYS A 64 67.930 -27.629 0.188 1.00 42.24 H new ATOM 0 HZ2 LYS A 64 69.204 -26.510 0.092 1.00 42.24 H new ATOM 0 HZ3 LYS A 64 68.785 -27.195 1.589 1.00 42.24 H new ATOM 991 N ARG A 65 68.119 -20.042 4.725 1.00 62.41 N ATOM 992 CA ARG A 65 68.696 -18.742 5.068 1.00 10.24 C ATOM 993 C ARG A 65 69.146 -18.042 3.797 1.00 55.32 C ATOM 994 O ARG A 65 70.229 -17.466 3.723 1.00 33.21 O ATOM 995 CB ARG A 65 69.858 -18.819 6.085 1.00 10.13 C ATOM 996 CG ARG A 65 69.480 -19.040 7.553 1.00 12.01 C ATOM 997 CD ARG A 65 68.911 -20.420 7.841 1.00 0.21 C ATOM 998 NE ARG A 65 68.600 -20.579 9.271 1.00 35.32 N ATOM 999 CZ ARG A 65 67.881 -21.578 9.818 1.00 62.31 C ATOM 1000 NH1 ARG A 65 67.467 -22.603 9.075 1.00 53.35 N ATOM 1001 NH2 ARG A 65 67.616 -21.560 11.116 1.00 23.34 N ATOM 0 H ARG A 65 67.127 -20.122 4.950 1.00 62.41 H new ATOM 0 HA ARG A 65 67.912 -18.169 5.564 1.00 10.24 H new ATOM 0 HB2 ARG A 65 70.523 -19.627 5.780 1.00 10.13 H new ATOM 0 HB3 ARG A 65 70.430 -17.894 6.017 1.00 10.13 H new ATOM 0 HG2 ARG A 65 70.363 -18.885 8.173 1.00 12.01 H new ATOM 0 HG3 ARG A 65 68.748 -18.287 7.847 1.00 12.01 H new ATOM 0 HD2 ARG A 65 68.008 -20.575 7.250 1.00 0.21 H new ATOM 0 HD3 ARG A 65 69.627 -21.183 7.535 1.00 0.21 H new ATOM 0 HE ARG A 65 68.962 -19.867 9.906 1.00 35.32 H new ATOM 0 HH11 ARG A 65 67.694 -22.637 8.081 1.00 53.35 H new ATOM 0 HH12 ARG A 65 66.923 -23.354 9.500 1.00 53.35 H new ATOM 0 HH21 ARG A 65 67.956 -20.792 11.695 1.00 23.34 H new ATOM 0 HH22 ARG A 65 67.072 -22.314 11.536 1.00 23.34 H new ATOM 1015 N LEU A 66 68.286 -18.092 2.796 1.00 53.51 N ATOM 1016 CA LEU A 66 68.544 -17.451 1.515 1.00 71.15 C ATOM 1017 C LEU A 66 68.303 -15.959 1.621 1.00 32.04 C ATOM 1018 O LEU A 66 68.642 -15.184 0.716 1.00 73.22 O ATOM 1019 CB LEU A 66 67.664 -18.060 0.428 1.00 33.23 C ATOM 1020 CG LEU A 66 67.941 -19.517 0.077 1.00 74.22 C ATOM 1021 CD1 LEU A 66 66.879 -20.048 -0.865 1.00 34.12 C ATOM 1022 CD2 LEU A 66 69.320 -19.669 -0.546 1.00 42.44 C ATOM 0 H LEU A 66 67.390 -18.577 2.846 1.00 53.51 H new ATOM 0 HA LEU A 66 69.587 -17.617 1.244 1.00 71.15 H new ATOM 0 HB2 LEU A 66 66.624 -17.975 0.742 1.00 33.23 H new ATOM 0 HB3 LEU A 66 67.774 -17.462 -0.477 1.00 33.23 H new ATOM 0 HG LEU A 66 67.913 -20.099 0.998 1.00 74.22 H new ATOM 0 HD11 LEU A 66 67.093 -21.090 -1.105 1.00 34.12 H new ATOM 0 HD12 LEU A 66 65.902 -19.979 -0.387 1.00 34.12 H new ATOM 0 HD13 LEU A 66 66.877 -19.458 -1.781 1.00 34.12 H new ATOM 0 HD21 LEU A 66 69.496 -20.717 -0.788 1.00 42.44 H new ATOM 0 HD22 LEU A 66 69.376 -19.072 -1.456 1.00 42.44 H new ATOM 0 HD23 LEU A 66 70.078 -19.327 0.159 1.00 42.44 H new ATOM 1034 N TYR A 67 67.705 -15.562 2.720 1.00 50.33 N ATOM 1035 CA TYR A 67 67.487 -14.177 2.983 1.00 63.44 C ATOM 1036 C TYR A 67 68.670 -13.682 3.778 1.00 41.21 C ATOM 1037 O TYR A 67 69.466 -14.500 4.267 1.00 0.14 O ATOM 1038 CB TYR A 67 66.157 -13.925 3.722 1.00 32.51 C ATOM 1039 CG TYR A 67 66.115 -14.414 5.158 1.00 55.05 C ATOM 1040 CD1 TYR A 67 65.749 -15.713 5.471 1.00 24.21 C ATOM 1041 CD2 TYR A 67 66.433 -13.556 6.196 1.00 64.31 C ATOM 1042 CE1 TYR A 67 65.704 -16.137 6.790 1.00 3.00 C ATOM 1043 CE2 TYR A 67 66.394 -13.973 7.507 1.00 44.51 C ATOM 1044 CZ TYR A 67 66.028 -15.262 7.800 1.00 62.24 C ATOM 1045 OH TYR A 67 65.972 -15.677 9.110 1.00 52.04 O ATOM 0 H TYR A 67 67.362 -16.192 3.445 1.00 50.33 H new ATOM 0 HA TYR A 67 67.402 -13.629 2.044 1.00 63.44 H new ATOM 0 HB2 TYR A 67 65.952 -12.855 3.713 1.00 32.51 H new ATOM 0 HB3 TYR A 67 65.353 -14.408 3.166 1.00 32.51 H new ATOM 0 HD1 TYR A 67 65.496 -16.402 4.679 1.00 24.21 H new ATOM 0 HD2 TYR A 67 66.718 -12.538 5.973 1.00 64.31 H new ATOM 0 HE1 TYR A 67 65.415 -17.151 7.024 1.00 3.00 H new ATOM 0 HE2 TYR A 67 66.651 -13.288 8.302 1.00 44.51 H new ATOM 0 HH TYR A 67 66.232 -14.938 9.699 1.00 52.04 H new ATOM 1055 N ASP A 68 68.804 -12.407 3.924 1.00 63.44 N ATOM 1056 CA ASP A 68 69.954 -11.882 4.602 1.00 21.32 C ATOM 1057 C ASP A 68 69.795 -11.929 6.098 1.00 52.35 C ATOM 1058 O ASP A 68 68.744 -11.604 6.645 1.00 13.34 O ATOM 1059 CB ASP A 68 70.268 -10.482 4.169 1.00 1.00 C ATOM 1060 CG ASP A 68 71.587 -10.045 4.720 1.00 51.10 C ATOM 1061 OD1 ASP A 68 72.626 -10.611 4.331 1.00 62.33 O ATOM 1062 OD2 ASP A 68 71.608 -9.165 5.566 1.00 24.12 O ATOM 0 H ASP A 68 68.141 -11.709 3.588 1.00 63.44 H new ATOM 0 HA ASP A 68 70.789 -12.525 4.324 1.00 21.32 H new ATOM 0 HB2 ASP A 68 70.286 -10.428 3.081 1.00 1.00 H new ATOM 0 HB3 ASP A 68 69.484 -9.806 4.509 1.00 1.00 H new ATOM 1067 N GLU A 69 70.844 -12.320 6.755 1.00 63.22 N ATOM 1068 CA GLU A 69 70.847 -12.431 8.186 1.00 62.14 C ATOM 1069 C GLU A 69 70.830 -11.071 8.881 1.00 64.00 C ATOM 1070 O GLU A 69 70.404 -10.968 10.031 1.00 30.11 O ATOM 1071 CB GLU A 69 72.017 -13.283 8.649 1.00 42.41 C ATOM 1072 CG GLU A 69 73.351 -12.884 8.051 1.00 61.33 C ATOM 1073 CD GLU A 69 74.471 -13.720 8.572 1.00 74.11 C ATOM 1074 OE1 GLU A 69 74.550 -14.917 8.235 1.00 24.54 O ATOM 1075 OE2 GLU A 69 75.319 -13.204 9.319 1.00 52.31 O ATOM 0 H GLU A 69 71.728 -12.573 6.313 1.00 63.22 H new ATOM 0 HA GLU A 69 69.922 -12.929 8.476 1.00 62.14 H new ATOM 0 HB2 GLU A 69 72.087 -13.225 9.735 1.00 42.41 H new ATOM 0 HB3 GLU A 69 71.816 -14.324 8.397 1.00 42.41 H new ATOM 0 HG2 GLU A 69 73.304 -12.977 6.966 1.00 61.33 H new ATOM 0 HG3 GLU A 69 73.548 -11.835 8.273 1.00 61.33 H new ATOM 1082 N LYS A 70 71.254 -10.022 8.196 1.00 21.31 N ATOM 1083 CA LYS A 70 71.248 -8.717 8.824 1.00 43.13 C ATOM 1084 C LYS A 70 69.984 -8.001 8.403 1.00 3.23 C ATOM 1085 O LYS A 70 69.405 -7.228 9.167 1.00 14.52 O ATOM 1086 CB LYS A 70 72.413 -7.874 8.329 1.00 51.11 C ATOM 1087 CG LYS A 70 73.690 -8.627 8.014 1.00 5.05 C ATOM 1088 CD LYS A 70 74.322 -9.311 9.210 1.00 31.00 C ATOM 1089 CE LYS A 70 75.656 -9.920 8.810 1.00 65.43 C ATOM 1090 NZ LYS A 70 76.240 -10.761 9.867 1.00 33.03 N ATOM 0 H LYS A 70 71.596 -10.046 7.235 1.00 21.31 H new ATOM 0 HA LYS A 70 71.316 -8.849 9.904 1.00 43.13 H new ATOM 0 HB2 LYS A 70 72.096 -7.344 7.431 1.00 51.11 H new ATOM 0 HB3 LYS A 70 72.636 -7.119 9.083 1.00 51.11 H new ATOM 0 HG2 LYS A 70 73.477 -9.377 7.252 1.00 5.05 H new ATOM 0 HG3 LYS A 70 74.411 -7.932 7.585 1.00 5.05 H new ATOM 0 HD2 LYS A 70 74.467 -8.592 10.017 1.00 31.00 H new ATOM 0 HD3 LYS A 70 73.657 -10.087 9.590 1.00 31.00 H new ATOM 0 HE2 LYS A 70 75.521 -10.519 7.909 1.00 65.43 H new ATOM 0 HE3 LYS A 70 76.354 -9.121 8.560 1.00 65.43 H new ATOM 0 HZ1 LYS A 70 77.230 -10.483 10.025 1.00 33.03 H new ATOM 0 HZ2 LYS A 70 75.701 -10.636 10.747 1.00 33.03 H new ATOM 0 HZ3 LYS A 70 76.203 -11.759 9.577 1.00 33.03 H new ATOM 1104 N GLN A 71 69.537 -8.293 7.198 1.00 50.03 N ATOM 1105 CA GLN A 71 68.317 -7.702 6.679 1.00 5.34 C ATOM 1106 C GLN A 71 67.319 -8.751 6.271 1.00 62.15 C ATOM 1107 O GLN A 71 67.416 -9.339 5.205 1.00 64.52 O ATOM 1108 CB GLN A 71 68.598 -6.769 5.517 1.00 3.32 C ATOM 1109 CG GLN A 71 69.460 -5.583 5.861 1.00 21.51 C ATOM 1110 CD GLN A 71 69.754 -4.737 4.658 1.00 43.20 C ATOM 1111 OE1 GLN A 71 70.745 -4.951 3.963 1.00 23.33 O ATOM 1112 NE2 GLN A 71 68.909 -3.778 4.402 1.00 3.50 N ATOM 0 H GLN A 71 70.001 -8.937 6.558 1.00 50.03 H new ATOM 0 HA GLN A 71 67.884 -7.118 7.491 1.00 5.34 H new ATOM 0 HB2 GLN A 71 69.083 -7.336 4.722 1.00 3.32 H new ATOM 0 HB3 GLN A 71 67.649 -6.409 5.119 1.00 3.32 H new ATOM 0 HG2 GLN A 71 68.960 -4.978 6.617 1.00 21.51 H new ATOM 0 HG3 GLN A 71 70.396 -5.930 6.299 1.00 21.51 H new ATOM 0 HE21 GLN A 71 68.100 -3.637 5.006 1.00 3.50 H new ATOM 0 HE22 GLN A 71 69.057 -3.169 3.597 1.00 3.50 H new ATOM 1121 N GLN A 72 66.336 -8.931 7.106 1.00 33.03 N ATOM 1122 CA GLN A 72 65.312 -9.934 6.911 1.00 64.41 C ATOM 1123 C GLN A 72 64.427 -9.628 5.707 1.00 73.12 C ATOM 1124 O GLN A 72 63.973 -10.527 5.018 1.00 1.14 O ATOM 1125 CB GLN A 72 64.474 -10.109 8.180 1.00 2.34 C ATOM 1126 CG GLN A 72 65.173 -10.847 9.329 1.00 64.34 C ATOM 1127 CD GLN A 72 66.394 -10.160 9.908 1.00 20.23 C ATOM 1128 OE1 GLN A 72 66.287 -9.356 10.832 1.00 21.44 O ATOM 1129 NE2 GLN A 72 67.554 -10.483 9.396 1.00 52.04 N ATOM 0 H GLN A 72 66.216 -8.380 7.956 1.00 33.03 H new ATOM 0 HA GLN A 72 65.819 -10.876 6.700 1.00 64.41 H new ATOM 0 HB2 GLN A 72 64.170 -9.124 8.534 1.00 2.34 H new ATOM 0 HB3 GLN A 72 63.563 -10.650 7.923 1.00 2.34 H new ATOM 0 HG2 GLN A 72 64.451 -10.999 10.131 1.00 64.34 H new ATOM 0 HG3 GLN A 72 65.469 -11.835 8.975 1.00 64.34 H new ATOM 0 HE21 GLN A 72 67.604 -11.154 8.630 1.00 52.04 H new ATOM 0 HE22 GLN A 72 68.408 -10.064 9.763 1.00 52.04 H new ATOM 1138 N HIS A 73 64.177 -8.348 5.468 1.00 20.12 N ATOM 1139 CA HIS A 73 63.383 -7.920 4.307 1.00 23.35 C ATOM 1140 C HIS A 73 64.137 -8.094 2.979 1.00 72.14 C ATOM 1141 O HIS A 73 63.567 -7.890 1.901 1.00 10.11 O ATOM 1142 CB HIS A 73 62.908 -6.454 4.446 1.00 41.31 C ATOM 1143 CG HIS A 73 64.003 -5.412 4.432 1.00 54.10 C ATOM 1144 ND1 HIS A 73 64.202 -4.535 3.386 1.00 32.14 N ATOM 1145 CD2 HIS A 73 64.926 -5.084 5.367 1.00 65.33 C ATOM 1146 CE1 HIS A 73 65.189 -3.716 3.679 1.00 3.33 C ATOM 1147 NE2 HIS A 73 65.649 -4.028 4.877 1.00 73.14 N ATOM 0 H HIS A 73 64.508 -7.584 6.057 1.00 20.12 H new ATOM 0 HA HIS A 73 62.511 -8.574 4.288 1.00 23.35 H new ATOM 0 HB2 HIS A 73 62.213 -6.237 3.635 1.00 41.31 H new ATOM 0 HB3 HIS A 73 62.350 -6.358 5.378 1.00 41.31 H new ATOM 0 HD1 HIS A 73 63.666 -4.523 2.518 1.00 32.14 H new ATOM 0 HD2 HIS A 73 65.067 -5.566 6.323 1.00 65.33 H new ATOM 0 HE1 HIS A 73 65.560 -2.923 3.047 1.00 3.33 H new ATOM 1155 N ILE A 74 65.391 -8.452 3.066 1.00 50.14 N ATOM 1156 CA ILE A 74 66.220 -8.607 1.904 1.00 22.31 C ATOM 1157 C ILE A 74 66.492 -10.063 1.657 1.00 55.40 C ATOM 1158 O ILE A 74 67.134 -10.739 2.465 1.00 73.00 O ATOM 1159 CB ILE A 74 67.562 -7.824 2.035 1.00 31.00 C ATOM 1160 CG1 ILE A 74 67.302 -6.317 2.081 1.00 41.50 C ATOM 1161 CG2 ILE A 74 68.544 -8.170 0.916 1.00 3.51 C ATOM 1162 CD1 ILE A 74 66.532 -5.794 0.886 1.00 73.44 C ATOM 0 H ILE A 74 65.866 -8.644 3.948 1.00 50.14 H new ATOM 0 HA ILE A 74 65.679 -8.188 1.055 1.00 22.31 H new ATOM 0 HB ILE A 74 68.025 -8.130 2.973 1.00 31.00 H new ATOM 0 HG12 ILE A 74 66.749 -6.081 2.990 1.00 41.50 H new ATOM 0 HG13 ILE A 74 68.257 -5.795 2.144 1.00 41.50 H new ATOM 0 HG21 ILE A 74 69.464 -7.600 1.050 1.00 3.51 H new ATOM 0 HG22 ILE A 74 68.770 -9.236 0.947 1.00 3.51 H new ATOM 0 HG23 ILE A 74 68.100 -7.921 -0.048 1.00 3.51 H new ATOM 0 HD11 ILE A 74 66.386 -4.719 0.989 1.00 73.44 H new ATOM 0 HD12 ILE A 74 67.093 -5.998 -0.026 1.00 73.44 H new ATOM 0 HD13 ILE A 74 65.562 -6.288 0.833 1.00 73.44 H new ATOM 1174 N VAL A 75 65.993 -10.557 0.570 1.00 45.43 N ATOM 1175 CA VAL A 75 66.240 -11.904 0.223 1.00 24.42 C ATOM 1176 C VAL A 75 67.188 -11.929 -0.934 1.00 52.54 C ATOM 1177 O VAL A 75 66.912 -11.352 -1.972 1.00 42.31 O ATOM 1178 CB VAL A 75 64.960 -12.673 -0.145 1.00 63.14 C ATOM 1179 CG1 VAL A 75 65.283 -14.133 -0.417 1.00 1.24 C ATOM 1180 CG2 VAL A 75 63.921 -12.556 0.950 1.00 11.12 C ATOM 0 H VAL A 75 65.411 -10.040 -0.089 1.00 45.43 H new ATOM 0 HA VAL A 75 66.665 -12.401 1.095 1.00 24.42 H new ATOM 0 HB VAL A 75 64.546 -12.230 -1.051 1.00 63.14 H new ATOM 0 HG11 VAL A 75 64.368 -14.666 -0.676 1.00 1.24 H new ATOM 0 HG12 VAL A 75 65.990 -14.201 -1.244 1.00 1.24 H new ATOM 0 HG13 VAL A 75 65.723 -14.580 0.474 1.00 1.24 H new ATOM 0 HG21 VAL A 75 63.026 -13.109 0.663 1.00 11.12 H new ATOM 0 HG22 VAL A 75 64.321 -12.968 1.877 1.00 11.12 H new ATOM 0 HG23 VAL A 75 63.666 -11.507 1.099 1.00 11.12 H new ATOM 1190 N TYR A 76 68.308 -12.555 -0.759 1.00 5.33 N ATOM 1191 CA TYR A 76 69.243 -12.655 -1.828 1.00 2.23 C ATOM 1192 C TYR A 76 68.883 -13.810 -2.709 1.00 20.23 C ATOM 1193 O TYR A 76 68.556 -13.607 -3.868 1.00 22.13 O ATOM 1194 CB TYR A 76 70.687 -12.737 -1.333 1.00 71.42 C ATOM 1195 CG TYR A 76 71.177 -11.453 -0.701 1.00 63.21 C ATOM 1196 CD1 TYR A 76 71.243 -10.290 -1.448 1.00 34.51 C ATOM 1197 CD2 TYR A 76 71.590 -11.401 0.619 1.00 72.11 C ATOM 1198 CE1 TYR A 76 71.699 -9.112 -0.911 1.00 53.13 C ATOM 1199 CE2 TYR A 76 72.047 -10.217 1.167 1.00 3.12 C ATOM 1200 CZ TYR A 76 72.098 -9.077 0.394 1.00 44.23 C ATOM 1201 OH TYR A 76 72.566 -7.896 0.933 1.00 11.02 O ATOM 0 H TYR A 76 68.595 -13.002 0.112 1.00 5.33 H new ATOM 0 HA TYR A 76 69.186 -11.740 -2.417 1.00 2.23 H new ATOM 0 HB2 TYR A 76 70.769 -13.546 -0.607 1.00 71.42 H new ATOM 0 HB3 TYR A 76 71.337 -12.993 -2.170 1.00 71.42 H new ATOM 0 HD1 TYR A 76 70.927 -10.310 -2.481 1.00 34.51 H new ATOM 0 HD2 TYR A 76 71.555 -12.293 1.226 1.00 72.11 H new ATOM 0 HE1 TYR A 76 71.742 -8.219 -1.517 1.00 53.13 H new ATOM 0 HE2 TYR A 76 72.364 -10.185 2.199 1.00 3.12 H new ATOM 0 HH TYR A 76 72.808 -8.038 1.872 1.00 11.02 H new ATOM 1211 N CYS A 77 68.907 -15.024 -2.139 1.00 54.53 N ATOM 1212 CA CYS A 77 68.572 -16.291 -2.839 1.00 52.14 C ATOM 1213 C CYS A 77 69.289 -16.433 -4.191 1.00 4.33 C ATOM 1214 O CYS A 77 68.847 -17.157 -5.082 1.00 62.20 O ATOM 1215 CB CYS A 77 67.040 -16.488 -2.968 1.00 61.41 C ATOM 1216 SG CYS A 77 66.130 -15.189 -3.834 1.00 54.33 S ATOM 0 H CYS A 77 69.163 -15.164 -1.162 1.00 54.53 H new ATOM 0 HA CYS A 77 68.950 -17.098 -2.212 1.00 52.14 H new ATOM 0 HB2 CYS A 77 66.860 -17.432 -3.482 1.00 61.41 H new ATOM 0 HB3 CYS A 77 66.623 -16.586 -1.966 1.00 61.41 H new ATOM 0 HG CYS A 77 66.950 -14.242 -4.181 1.00 54.33 H new ATOM 1222 N SER A 78 70.444 -15.806 -4.274 1.00 74.53 N ATOM 1223 CA SER A 78 71.248 -15.757 -5.466 1.00 1.24 C ATOM 1224 C SER A 78 71.794 -17.132 -5.789 1.00 20.30 C ATOM 1225 O SER A 78 71.985 -17.492 -6.957 1.00 21.43 O ATOM 1226 CB SER A 78 72.381 -14.788 -5.222 1.00 41.00 C ATOM 1227 OG SER A 78 71.866 -13.561 -4.721 1.00 62.31 O ATOM 0 H SER A 78 70.857 -15.303 -3.488 1.00 74.53 H new ATOM 0 HA SER A 78 70.646 -15.429 -6.313 1.00 1.24 H new ATOM 0 HB2 SER A 78 73.089 -15.213 -4.510 1.00 41.00 H new ATOM 0 HB3 SER A 78 72.927 -14.612 -6.149 1.00 41.00 H new ATOM 0 HG SER A 78 71.163 -13.232 -5.320 1.00 62.31 H new ATOM 1233 N ASN A 79 71.992 -17.911 -4.752 1.00 41.54 N ATOM 1234 CA ASN A 79 72.530 -19.248 -4.880 1.00 73.42 C ATOM 1235 C ASN A 79 71.419 -20.273 -4.974 1.00 0.00 C ATOM 1236 O ASN A 79 71.646 -21.477 -4.777 1.00 53.23 O ATOM 1237 CB ASN A 79 73.444 -19.591 -3.701 1.00 72.51 C ATOM 1238 CG ASN A 79 74.767 -18.843 -3.703 1.00 60.42 C ATOM 1239 OD1 ASN A 79 74.880 -17.697 -4.160 1.00 34.51 O ATOM 1240 ND2 ASN A 79 75.780 -19.485 -3.201 1.00 12.14 N ATOM 0 H ASN A 79 71.784 -17.636 -3.792 1.00 41.54 H new ATOM 0 HA ASN A 79 73.116 -19.275 -5.799 1.00 73.42 H new ATOM 0 HB2 ASN A 79 72.917 -19.374 -2.772 1.00 72.51 H new ATOM 0 HB3 ASN A 79 73.645 -20.662 -3.710 1.00 72.51 H new ATOM 0 HD21 ASN A 79 76.700 -19.046 -3.176 1.00 12.14 H new ATOM 0 HD22 ASN A 79 75.654 -20.428 -2.832 1.00 12.14 H new ATOM 1247 N ASP A 80 70.220 -19.827 -5.278 1.00 63.10 N ATOM 1248 CA ASP A 80 69.117 -20.743 -5.403 1.00 44.31 C ATOM 1249 C ASP A 80 68.298 -20.393 -6.643 1.00 54.24 C ATOM 1250 O ASP A 80 68.575 -19.398 -7.319 1.00 62.42 O ATOM 1251 CB ASP A 80 68.253 -20.771 -4.133 1.00 54.35 C ATOM 1252 CG ASP A 80 67.382 -22.016 -4.067 1.00 4.01 C ATOM 1253 OD1 ASP A 80 67.853 -23.065 -3.576 1.00 31.11 O ATOM 1254 OD2 ASP A 80 66.242 -21.986 -4.560 1.00 51.55 O ATOM 0 H ASP A 80 69.989 -18.847 -5.441 1.00 63.10 H new ATOM 0 HA ASP A 80 69.513 -21.751 -5.524 1.00 44.31 H new ATOM 0 HB2 ASP A 80 68.897 -20.732 -3.255 1.00 54.35 H new ATOM 0 HB3 ASP A 80 67.621 -19.884 -4.104 1.00 54.35 H new ATOM 1259 N LEU A 81 67.291 -21.170 -6.905 1.00 71.31 N ATOM 1260 CA LEU A 81 66.544 -21.093 -8.111 1.00 11.32 C ATOM 1261 C LEU A 81 65.334 -20.163 -7.969 1.00 12.11 C ATOM 1262 O LEU A 81 64.989 -19.486 -8.920 1.00 75.03 O ATOM 1263 CB LEU A 81 66.149 -22.550 -8.530 1.00 25.11 C ATOM 1264 CG LEU A 81 65.456 -22.804 -9.898 1.00 40.03 C ATOM 1265 CD1 LEU A 81 64.011 -22.352 -9.910 1.00 43.44 C ATOM 1266 CD2 LEU A 81 66.234 -22.150 -11.034 1.00 21.25 C ATOM 0 H LEU A 81 66.962 -21.893 -6.265 1.00 71.31 H new ATOM 0 HA LEU A 81 67.149 -20.650 -8.902 1.00 11.32 H new ATOM 0 HB2 LEU A 81 67.058 -23.151 -8.511 1.00 25.11 H new ATOM 0 HB3 LEU A 81 65.491 -22.943 -7.755 1.00 25.11 H new ATOM 0 HG LEU A 81 65.454 -23.883 -10.052 1.00 40.03 H new ATOM 0 HD11 LEU A 81 63.575 -22.553 -10.889 1.00 43.44 H new ATOM 0 HD12 LEU A 81 63.454 -22.895 -9.146 1.00 43.44 H new ATOM 0 HD13 LEU A 81 63.962 -21.283 -9.703 1.00 43.44 H new ATOM 0 HD21 LEU A 81 65.728 -22.343 -11.980 1.00 21.25 H new ATOM 0 HD22 LEU A 81 66.290 -21.075 -10.865 1.00 21.25 H new ATOM 0 HD23 LEU A 81 67.242 -22.564 -11.071 1.00 21.25 H new ATOM 1278 N LEU A 82 64.722 -20.094 -6.779 1.00 22.23 N ATOM 1279 CA LEU A 82 63.452 -19.340 -6.630 1.00 31.14 C ATOM 1280 C LEU A 82 63.562 -17.849 -7.021 1.00 51.53 C ATOM 1281 O LEU A 82 62.739 -17.350 -7.781 1.00 75.13 O ATOM 1282 CB LEU A 82 62.736 -19.570 -5.238 1.00 51.31 C ATOM 1283 CG LEU A 82 63.240 -18.856 -3.940 1.00 44.45 C ATOM 1284 CD1 LEU A 82 64.724 -18.986 -3.717 1.00 51.52 C ATOM 1285 CD2 LEU A 82 62.781 -17.401 -3.860 1.00 64.25 C ATOM 0 H LEU A 82 65.065 -20.533 -5.925 1.00 22.23 H new ATOM 0 HA LEU A 82 62.784 -19.779 -7.371 1.00 31.14 H new ATOM 0 HB2 LEU A 82 61.690 -19.292 -5.368 1.00 51.31 H new ATOM 0 HB3 LEU A 82 62.759 -20.642 -5.041 1.00 51.31 H new ATOM 0 HG LEU A 82 62.766 -19.392 -3.118 1.00 44.45 H new ATOM 0 HD11 LEU A 82 65.001 -18.467 -2.799 1.00 51.52 H new ATOM 0 HD12 LEU A 82 64.988 -20.040 -3.631 1.00 51.52 H new ATOM 0 HD13 LEU A 82 65.258 -18.545 -4.559 1.00 51.52 H new ATOM 0 HD21 LEU A 82 63.157 -16.951 -2.941 1.00 64.25 H new ATOM 0 HD22 LEU A 82 63.166 -16.850 -4.718 1.00 64.25 H new ATOM 0 HD23 LEU A 82 61.692 -17.362 -3.864 1.00 64.25 H new ATOM 1297 N GLY A 83 64.606 -17.174 -6.557 1.00 33.33 N ATOM 1298 CA GLY A 83 64.771 -15.765 -6.869 1.00 13.41 C ATOM 1299 C GLY A 83 65.223 -15.593 -8.281 1.00 23.02 C ATOM 1300 O GLY A 83 64.761 -14.687 -9.003 1.00 63.21 O ATOM 0 H GLY A 83 65.340 -17.574 -5.972 1.00 33.33 H new ATOM 0 HA2 GLY A 83 63.828 -15.240 -6.716 1.00 13.41 H new ATOM 0 HA3 GLY A 83 65.498 -15.319 -6.191 1.00 13.41 H new ATOM 1304 N ASP A 84 66.090 -16.503 -8.694 1.00 74.23 N ATOM 1305 CA ASP A 84 66.617 -16.543 -10.048 1.00 72.30 C ATOM 1306 C ASP A 84 65.449 -16.522 -11.007 1.00 60.45 C ATOM 1307 O ASP A 84 65.313 -15.590 -11.801 1.00 21.25 O ATOM 1308 CB ASP A 84 67.427 -17.834 -10.250 1.00 32.43 C ATOM 1309 CG ASP A 84 68.137 -17.918 -11.588 1.00 23.04 C ATOM 1310 OD1 ASP A 84 67.525 -18.336 -12.591 1.00 12.11 O ATOM 1311 OD2 ASP A 84 69.347 -17.617 -11.647 1.00 34.12 O ATOM 0 H ASP A 84 66.452 -17.243 -8.092 1.00 74.23 H new ATOM 0 HA ASP A 84 67.269 -15.688 -10.225 1.00 72.30 H new ATOM 0 HB2 ASP A 84 68.166 -17.915 -9.453 1.00 32.43 H new ATOM 0 HB3 ASP A 84 66.758 -18.689 -10.152 1.00 32.43 H new ATOM 1316 N LEU A 85 64.540 -17.483 -10.777 1.00 51.32 N ATOM 1317 CA LEU A 85 63.343 -17.752 -11.540 1.00 55.15 C ATOM 1318 C LEU A 85 62.394 -16.577 -11.542 1.00 45.10 C ATOM 1319 O LEU A 85 61.699 -16.337 -12.538 1.00 62.02 O ATOM 1320 CB LEU A 85 62.672 -18.920 -10.898 1.00 35.13 C ATOM 1321 CG LEU A 85 61.500 -19.518 -11.612 1.00 61.13 C ATOM 1322 CD1 LEU A 85 61.922 -20.114 -12.949 1.00 14.13 C ATOM 1323 CD2 LEU A 85 60.815 -20.550 -10.738 1.00 34.22 C ATOM 0 H LEU A 85 64.643 -18.129 -9.995 1.00 51.32 H new ATOM 0 HA LEU A 85 63.613 -17.949 -12.577 1.00 55.15 H new ATOM 0 HB2 LEU A 85 63.418 -19.703 -10.760 1.00 35.13 H new ATOM 0 HB3 LEU A 85 62.342 -18.615 -9.905 1.00 35.13 H new ATOM 0 HG LEU A 85 60.782 -18.724 -11.820 1.00 61.13 H new ATOM 0 HD11 LEU A 85 61.052 -20.542 -13.447 1.00 14.13 H new ATOM 0 HD12 LEU A 85 62.352 -19.333 -13.576 1.00 14.13 H new ATOM 0 HD13 LEU A 85 62.664 -20.894 -12.781 1.00 14.13 H new ATOM 0 HD21 LEU A 85 59.965 -20.974 -11.273 1.00 34.22 H new ATOM 0 HD22 LEU A 85 61.521 -21.343 -10.491 1.00 34.22 H new ATOM 0 HD23 LEU A 85 60.466 -20.076 -9.821 1.00 34.22 H new ATOM 1335 N PHE A 86 62.344 -15.860 -10.423 1.00 13.22 N ATOM 1336 CA PHE A 86 61.572 -14.617 -10.322 1.00 14.21 C ATOM 1337 C PHE A 86 62.085 -13.612 -11.334 1.00 25.43 C ATOM 1338 O PHE A 86 61.382 -12.675 -11.732 1.00 74.23 O ATOM 1339 CB PHE A 86 61.693 -14.015 -8.922 1.00 60.11 C ATOM 1340 CG PHE A 86 60.914 -14.700 -7.821 1.00 12.33 C ATOM 1341 CD1 PHE A 86 59.903 -15.619 -8.100 1.00 60.04 C ATOM 1342 CD2 PHE A 86 61.186 -14.402 -6.496 1.00 61.20 C ATOM 1343 CE1 PHE A 86 59.192 -16.217 -7.079 1.00 63.23 C ATOM 1344 CE2 PHE A 86 60.479 -15.002 -5.474 1.00 21.42 C ATOM 1345 CZ PHE A 86 59.481 -15.909 -5.765 1.00 2.54 C ATOM 0 H PHE A 86 62.832 -16.118 -9.565 1.00 13.22 H new ATOM 0 HA PHE A 86 60.526 -14.849 -10.521 1.00 14.21 H new ATOM 0 HB2 PHE A 86 62.747 -14.011 -8.643 1.00 60.11 H new ATOM 0 HB3 PHE A 86 61.372 -12.974 -8.970 1.00 60.11 H new ATOM 0 HD1 PHE A 86 59.674 -15.866 -9.126 1.00 60.04 H new ATOM 0 HD2 PHE A 86 61.963 -13.690 -6.259 1.00 61.20 H new ATOM 0 HE1 PHE A 86 58.410 -16.926 -7.308 1.00 63.23 H new ATOM 0 HE2 PHE A 86 60.707 -14.761 -4.446 1.00 21.42 H new ATOM 0 HZ PHE A 86 58.926 -16.378 -4.965 1.00 2.54 H new ATOM 1355 N GLY A 87 63.309 -13.817 -11.734 1.00 24.41 N ATOM 1356 CA GLY A 87 63.930 -12.985 -12.719 1.00 31.24 C ATOM 1357 C GLY A 87 64.789 -11.979 -12.057 1.00 3.13 C ATOM 1358 O GLY A 87 65.053 -10.891 -12.609 1.00 20.13 O ATOM 0 H GLY A 87 63.903 -14.568 -11.384 1.00 24.41 H new ATOM 0 HA2 GLY A 87 64.526 -13.594 -13.399 1.00 31.24 H new ATOM 0 HA3 GLY A 87 63.169 -12.487 -13.320 1.00 31.24 H new ATOM 1362 N VAL A 88 65.236 -12.319 -10.873 1.00 0.24 N ATOM 1363 CA VAL A 88 66.012 -11.380 -10.074 1.00 65.43 C ATOM 1364 C VAL A 88 67.236 -12.026 -9.426 1.00 62.04 C ATOM 1365 O VAL A 88 67.293 -13.242 -9.266 1.00 2.43 O ATOM 1366 CB VAL A 88 65.145 -10.663 -8.986 1.00 34.42 C ATOM 1367 CG1 VAL A 88 64.123 -9.717 -9.602 1.00 53.13 C ATOM 1368 CG2 VAL A 88 64.457 -11.661 -8.083 1.00 52.45 C ATOM 0 H VAL A 88 65.082 -13.228 -10.437 1.00 0.24 H new ATOM 0 HA VAL A 88 66.365 -10.627 -10.779 1.00 65.43 H new ATOM 0 HB VAL A 88 65.831 -10.067 -8.384 1.00 34.42 H new ATOM 0 HG11 VAL A 88 63.544 -9.242 -8.810 1.00 53.13 H new ATOM 0 HG12 VAL A 88 64.639 -8.953 -10.183 1.00 53.13 H new ATOM 0 HG13 VAL A 88 63.454 -10.279 -10.254 1.00 53.13 H new ATOM 0 HG21 VAL A 88 63.863 -11.130 -7.339 1.00 52.45 H new ATOM 0 HG22 VAL A 88 63.805 -12.301 -8.678 1.00 52.45 H new ATOM 0 HG23 VAL A 88 65.206 -12.273 -7.580 1.00 52.45 H new ATOM 1378 N PRO A 89 68.279 -11.226 -9.107 1.00 11.32 N ATOM 1379 CA PRO A 89 69.456 -11.721 -8.396 1.00 74.43 C ATOM 1380 C PRO A 89 69.202 -11.772 -6.891 1.00 61.01 C ATOM 1381 O PRO A 89 69.816 -12.549 -6.165 1.00 1.24 O ATOM 1382 CB PRO A 89 70.546 -10.670 -8.702 1.00 25.13 C ATOM 1383 CG PRO A 89 69.907 -9.642 -9.591 1.00 40.51 C ATOM 1384 CD PRO A 89 68.426 -9.803 -9.451 1.00 22.11 C ATOM 0 HA PRO A 89 69.728 -12.730 -8.704 1.00 74.43 H new ATOM 0 HB2 PRO A 89 70.914 -10.214 -7.783 1.00 25.13 H new ATOM 0 HB3 PRO A 89 71.402 -11.131 -9.194 1.00 25.13 H new ATOM 0 HG2 PRO A 89 70.215 -8.637 -9.302 1.00 40.51 H new ATOM 0 HG3 PRO A 89 70.214 -9.784 -10.627 1.00 40.51 H new ATOM 0 HD2 PRO A 89 68.021 -9.156 -8.673 1.00 22.11 H new ATOM 0 HD3 PRO A 89 67.904 -9.555 -10.375 1.00 22.11 H new ATOM 1392 N SER A 90 68.316 -10.909 -6.444 1.00 72.45 N ATOM 1393 CA SER A 90 67.900 -10.755 -5.072 1.00 0.12 C ATOM 1394 C SER A 90 66.557 -10.058 -5.128 1.00 72.25 C ATOM 1395 O SER A 90 66.247 -9.439 -6.163 1.00 42.34 O ATOM 1396 CB SER A 90 68.916 -9.884 -4.316 1.00 14.22 C ATOM 1397 OG SER A 90 70.220 -10.457 -4.381 1.00 32.43 O ATOM 0 H SER A 90 67.840 -10.258 -7.069 1.00 72.45 H new ATOM 0 HA SER A 90 67.835 -11.713 -4.555 1.00 0.12 H new ATOM 0 HB2 SER A 90 68.932 -8.882 -4.744 1.00 14.22 H new ATOM 0 HB3 SER A 90 68.610 -9.781 -3.275 1.00 14.22 H new ATOM 0 HG SER A 90 70.892 -9.745 -4.350 1.00 32.43 H new ATOM 1403 N PHE A 91 65.765 -10.127 -4.084 1.00 22.52 N ATOM 1404 CA PHE A 91 64.471 -9.516 -4.130 1.00 23.10 C ATOM 1405 C PHE A 91 64.081 -8.947 -2.764 1.00 42.12 C ATOM 1406 O PHE A 91 64.601 -9.376 -1.717 1.00 74.32 O ATOM 1407 CB PHE A 91 63.406 -10.495 -4.692 1.00 64.21 C ATOM 1408 CG PHE A 91 62.821 -11.528 -3.747 1.00 51.33 C ATOM 1409 CD1 PHE A 91 63.385 -12.804 -3.553 1.00 4.31 C ATOM 1410 CD2 PHE A 91 61.653 -11.229 -3.092 1.00 11.25 C ATOM 1411 CE1 PHE A 91 62.766 -13.712 -2.722 1.00 61.22 C ATOM 1412 CE2 PHE A 91 61.055 -12.126 -2.266 1.00 2.33 C ATOM 1413 CZ PHE A 91 61.601 -13.371 -2.077 1.00 72.40 C ATOM 0 H PHE A 91 65.995 -10.595 -3.207 1.00 22.52 H new ATOM 0 HA PHE A 91 64.517 -8.674 -4.821 1.00 23.10 H new ATOM 0 HB2 PHE A 91 62.583 -9.901 -5.089 1.00 64.21 H new ATOM 0 HB3 PHE A 91 63.851 -11.026 -5.534 1.00 64.21 H new ATOM 0 HD1 PHE A 91 64.303 -13.071 -4.056 1.00 4.31 H new ATOM 0 HD2 PHE A 91 61.199 -10.260 -3.236 1.00 11.25 H new ATOM 0 HE1 PHE A 91 63.196 -14.692 -2.577 1.00 61.22 H new ATOM 0 HE2 PHE A 91 60.143 -11.858 -1.754 1.00 2.33 H new ATOM 0 HZ PHE A 91 61.116 -14.081 -1.423 1.00 72.40 H new ATOM 1423 N SER A 92 63.208 -7.981 -2.787 1.00 13.21 N ATOM 1424 CA SER A 92 62.742 -7.319 -1.602 1.00 63.42 C ATOM 1425 C SER A 92 61.305 -7.752 -1.293 1.00 12.35 C ATOM 1426 O SER A 92 60.424 -7.653 -2.141 1.00 65.40 O ATOM 1427 CB SER A 92 62.809 -5.818 -1.833 1.00 64.34 C ATOM 1428 OG SER A 92 64.116 -5.428 -2.233 1.00 72.34 O ATOM 0 H SER A 92 62.792 -7.624 -3.647 1.00 13.21 H new ATOM 0 HA SER A 92 63.367 -7.586 -0.750 1.00 63.42 H new ATOM 0 HB2 SER A 92 62.088 -5.531 -2.599 1.00 64.34 H new ATOM 0 HB3 SER A 92 62.531 -5.292 -0.920 1.00 64.34 H new ATOM 0 HG SER A 92 64.138 -4.459 -2.378 1.00 72.34 H new ATOM 1434 N VAL A 93 61.085 -8.245 -0.094 1.00 15.21 N ATOM 1435 CA VAL A 93 59.771 -8.740 0.318 1.00 44.32 C ATOM 1436 C VAL A 93 58.680 -7.650 0.420 1.00 70.53 C ATOM 1437 O VAL A 93 57.499 -7.947 0.253 1.00 62.34 O ATOM 1438 CB VAL A 93 59.865 -9.481 1.656 1.00 54.24 C ATOM 1439 CG1 VAL A 93 60.762 -10.688 1.526 1.00 62.31 C ATOM 1440 CG2 VAL A 93 60.387 -8.554 2.729 1.00 71.25 C ATOM 0 H VAL A 93 61.803 -8.318 0.627 1.00 15.21 H new ATOM 0 HA VAL A 93 59.464 -9.418 -0.478 1.00 44.32 H new ATOM 0 HB VAL A 93 58.868 -9.819 1.939 1.00 54.24 H new ATOM 0 HG11 VAL A 93 60.819 -11.204 2.484 1.00 62.31 H new ATOM 0 HG12 VAL A 93 60.356 -11.364 0.774 1.00 62.31 H new ATOM 0 HG13 VAL A 93 61.760 -10.369 1.226 1.00 62.31 H new ATOM 0 HG21 VAL A 93 60.450 -9.091 3.675 1.00 71.25 H new ATOM 0 HG22 VAL A 93 61.377 -8.195 2.449 1.00 71.25 H new ATOM 0 HG23 VAL A 93 59.711 -7.706 2.837 1.00 71.25 H new ATOM 1450 N LYS A 94 59.066 -6.401 0.710 1.00 25.30 N ATOM 1451 CA LYS A 94 58.073 -5.340 0.889 1.00 34.12 C ATOM 1452 C LYS A 94 57.368 -4.923 -0.390 1.00 43.13 C ATOM 1453 O LYS A 94 56.318 -4.263 -0.328 1.00 62.22 O ATOM 1454 CB LYS A 94 58.622 -4.120 1.638 1.00 44.32 C ATOM 1455 CG LYS A 94 59.187 -4.436 3.002 1.00 11.41 C ATOM 1456 CD LYS A 94 58.218 -5.249 3.819 1.00 61.24 C ATOM 1457 CE LYS A 94 58.767 -5.545 5.180 1.00 64.21 C ATOM 1458 NZ LYS A 94 58.786 -4.343 6.036 1.00 40.32 N ATOM 0 H LYS A 94 60.036 -6.107 0.823 1.00 25.30 H new ATOM 0 HA LYS A 94 57.313 -5.799 1.521 1.00 34.12 H new ATOM 0 HB2 LYS A 94 59.401 -3.656 1.033 1.00 44.32 H new ATOM 0 HB3 LYS A 94 57.824 -3.386 1.748 1.00 44.32 H new ATOM 0 HG2 LYS A 94 60.123 -4.984 2.893 1.00 11.41 H new ATOM 0 HG3 LYS A 94 59.420 -3.509 3.526 1.00 11.41 H new ATOM 0 HD2 LYS A 94 57.276 -4.708 3.914 1.00 61.24 H new ATOM 0 HD3 LYS A 94 57.998 -6.183 3.302 1.00 61.24 H new ATOM 0 HE2 LYS A 94 58.165 -6.320 5.654 1.00 64.21 H new ATOM 0 HE3 LYS A 94 59.778 -5.940 5.086 1.00 64.21 H new ATOM 0 HZ1 LYS A 94 59.010 -4.617 7.014 1.00 40.32 H new ATOM 0 HZ2 LYS A 94 59.508 -3.680 5.688 1.00 40.32 H new ATOM 0 HZ3 LYS A 94 57.853 -3.884 6.010 1.00 40.32 H new ATOM 1472 N GLU A 95 57.896 -5.286 -1.539 1.00 41.22 N ATOM 1473 CA GLU A 95 57.191 -4.997 -2.756 1.00 25.25 C ATOM 1474 C GLU A 95 56.228 -6.115 -3.070 1.00 44.21 C ATOM 1475 O GLU A 95 56.476 -7.010 -3.864 1.00 11.24 O ATOM 1476 CB GLU A 95 58.091 -4.593 -3.907 1.00 62.12 C ATOM 1477 CG GLU A 95 59.249 -5.533 -4.222 1.00 1.24 C ATOM 1478 CD GLU A 95 60.203 -4.954 -5.243 1.00 20.02 C ATOM 1479 OE1 GLU A 95 59.915 -4.975 -6.447 1.00 30.24 O ATOM 1480 OE2 GLU A 95 61.277 -4.452 -4.861 1.00 35.23 O ATOM 0 H GLU A 95 58.788 -5.769 -1.650 1.00 41.22 H new ATOM 0 HA GLU A 95 56.597 -4.097 -2.596 1.00 25.25 H new ATOM 0 HB2 GLU A 95 57.477 -4.494 -4.802 1.00 62.12 H new ATOM 0 HB3 GLU A 95 58.501 -3.606 -3.691 1.00 62.12 H new ATOM 0 HG2 GLU A 95 59.794 -5.753 -3.304 1.00 1.24 H new ATOM 0 HG3 GLU A 95 58.854 -6.479 -4.593 1.00 1.24 H new ATOM 1487 N HIS A 96 55.118 -6.015 -2.410 1.00 61.03 N ATOM 1488 CA HIS A 96 54.102 -7.075 -2.317 1.00 22.11 C ATOM 1489 C HIS A 96 53.472 -7.398 -3.638 1.00 24.20 C ATOM 1490 O HIS A 96 53.249 -8.568 -3.954 1.00 4.12 O ATOM 1491 CB HIS A 96 52.998 -6.725 -1.311 1.00 0.11 C ATOM 1492 CG HIS A 96 53.466 -6.475 0.089 1.00 4.44 C ATOM 1493 ND1 HIS A 96 52.780 -5.676 0.970 1.00 0.33 N ATOM 1494 CD2 HIS A 96 54.535 -6.946 0.768 1.00 64.43 C ATOM 1495 CE1 HIS A 96 53.393 -5.660 2.129 1.00 53.21 C ATOM 1496 NE2 HIS A 96 54.471 -6.426 2.041 1.00 71.43 N ATOM 0 H HIS A 96 54.863 -5.173 -1.895 1.00 61.03 H new ATOM 0 HA HIS A 96 54.642 -7.956 -1.970 1.00 22.11 H new ATOM 0 HB2 HIS A 96 52.474 -5.838 -1.666 1.00 0.11 H new ATOM 0 HB3 HIS A 96 52.273 -7.538 -1.295 1.00 0.11 H new ATOM 0 HD2 HIS A 96 55.298 -7.607 0.384 1.00 64.43 H new ATOM 0 HE1 HIS A 96 53.074 -5.116 3.006 1.00 53.21 H new ATOM 0 HE2 HIS A 96 55.141 -6.601 2.790 1.00 71.43 H new ATOM 1504 N ARG A 97 53.214 -6.383 -4.423 1.00 61.45 N ATOM 1505 CA ARG A 97 52.566 -6.569 -5.697 1.00 2.00 C ATOM 1506 C ARG A 97 53.515 -7.288 -6.650 1.00 60.51 C ATOM 1507 O ARG A 97 53.090 -8.085 -7.496 1.00 63.44 O ATOM 1508 CB ARG A 97 52.103 -5.221 -6.264 1.00 25.22 C ATOM 1509 CG ARG A 97 51.263 -5.315 -7.530 1.00 31.52 C ATOM 1510 CD ARG A 97 49.985 -6.120 -7.317 1.00 61.22 C ATOM 1511 NE ARG A 97 49.138 -5.575 -6.240 1.00 52.14 N ATOM 1512 CZ ARG A 97 47.815 -5.772 -6.132 1.00 35.43 C ATOM 1513 NH1 ARG A 97 47.167 -6.525 -7.019 1.00 32.04 N ATOM 1514 NH2 ARG A 97 47.144 -5.211 -5.138 1.00 50.15 N ATOM 0 H ARG A 97 53.444 -5.414 -4.201 1.00 61.45 H new ATOM 0 HA ARG A 97 51.678 -7.188 -5.569 1.00 2.00 H new ATOM 0 HB2 ARG A 97 51.526 -4.700 -5.500 1.00 25.22 H new ATOM 0 HB3 ARG A 97 52.981 -4.610 -6.472 1.00 25.22 H new ATOM 0 HG2 ARG A 97 51.006 -4.311 -7.868 1.00 31.52 H new ATOM 0 HG3 ARG A 97 51.853 -5.777 -8.322 1.00 31.52 H new ATOM 0 HD2 ARG A 97 49.415 -6.140 -8.246 1.00 61.22 H new ATOM 0 HD3 ARG A 97 50.246 -7.152 -7.081 1.00 61.22 H new ATOM 0 HE ARG A 97 49.591 -5.006 -5.524 1.00 52.14 H new ATOM 0 HH11 ARG A 97 47.676 -6.958 -7.789 1.00 32.04 H new ATOM 0 HH12 ARG A 97 46.161 -6.669 -6.928 1.00 32.04 H new ATOM 0 HH21 ARG A 97 47.633 -4.630 -4.456 1.00 50.15 H new ATOM 0 HH22 ARG A 97 46.138 -5.359 -5.054 1.00 50.15 H new ATOM 1528 N LYS A 98 54.802 -7.059 -6.454 1.00 3.30 N ATOM 1529 CA LYS A 98 55.816 -7.704 -7.237 1.00 1.24 C ATOM 1530 C LYS A 98 55.993 -9.121 -6.779 1.00 33.20 C ATOM 1531 O LYS A 98 56.287 -9.990 -7.576 1.00 63.32 O ATOM 1532 CB LYS A 98 57.127 -6.939 -7.174 1.00 62.12 C ATOM 1533 CG LYS A 98 57.055 -5.572 -7.818 1.00 4.31 C ATOM 1534 CD LYS A 98 56.769 -5.700 -9.298 1.00 4.22 C ATOM 1535 CE LYS A 98 56.640 -4.354 -9.982 1.00 21.35 C ATOM 1536 NZ LYS A 98 56.487 -4.513 -11.443 1.00 63.10 N ATOM 0 H LYS A 98 55.163 -6.420 -5.746 1.00 3.30 H new ATOM 0 HA LYS A 98 55.496 -7.714 -8.279 1.00 1.24 H new ATOM 0 HB2 LYS A 98 57.424 -6.826 -6.131 1.00 62.12 H new ATOM 0 HB3 LYS A 98 57.905 -7.524 -7.665 1.00 62.12 H new ATOM 0 HG2 LYS A 98 56.275 -4.979 -7.341 1.00 4.31 H new ATOM 0 HG3 LYS A 98 57.996 -5.042 -7.667 1.00 4.31 H new ATOM 0 HD2 LYS A 98 57.569 -6.270 -9.771 1.00 4.22 H new ATOM 0 HD3 LYS A 98 55.848 -6.266 -9.439 1.00 4.22 H new ATOM 0 HE2 LYS A 98 55.780 -3.819 -9.579 1.00 21.35 H new ATOM 0 HE3 LYS A 98 57.521 -3.748 -9.769 1.00 21.35 H new ATOM 0 HZ1 LYS A 98 56.401 -3.576 -11.887 1.00 63.10 H new ATOM 0 HZ2 LYS A 98 57.320 -5.003 -11.828 1.00 63.10 H new ATOM 0 HZ3 LYS A 98 55.633 -5.071 -11.644 1.00 63.10 H new ATOM 1550 N ILE A 99 55.777 -9.353 -5.494 1.00 54.20 N ATOM 1551 CA ILE A 99 55.838 -10.692 -4.948 1.00 3.41 C ATOM 1552 C ILE A 99 54.810 -11.541 -5.656 1.00 32.52 C ATOM 1553 O ILE A 99 55.133 -12.596 -6.189 1.00 34.24 O ATOM 1554 CB ILE A 99 55.560 -10.734 -3.413 1.00 74.14 C ATOM 1555 CG1 ILE A 99 56.528 -9.825 -2.640 1.00 62.20 C ATOM 1556 CG2 ILE A 99 55.625 -12.160 -2.883 1.00 53.21 C ATOM 1557 CD1 ILE A 99 57.989 -10.067 -2.928 1.00 13.25 C ATOM 0 H ILE A 99 55.558 -8.627 -4.812 1.00 54.20 H new ATOM 0 HA ILE A 99 56.849 -11.069 -5.102 1.00 3.41 H new ATOM 0 HB ILE A 99 54.550 -10.356 -3.256 1.00 74.14 H new ATOM 0 HG12 ILE A 99 56.293 -8.786 -2.873 1.00 62.20 H new ATOM 0 HG13 ILE A 99 56.356 -9.959 -1.572 1.00 62.20 H new ATOM 0 HG21 ILE A 99 55.427 -12.159 -1.811 1.00 53.21 H new ATOM 0 HG22 ILE A 99 54.877 -12.771 -3.389 1.00 53.21 H new ATOM 0 HG23 ILE A 99 56.617 -12.572 -3.069 1.00 53.21 H new ATOM 0 HD11 ILE A 99 58.595 -9.380 -2.338 1.00 13.25 H new ATOM 0 HD12 ILE A 99 58.246 -11.094 -2.667 1.00 13.25 H new ATOM 0 HD13 ILE A 99 58.183 -9.903 -3.988 1.00 13.25 H new ATOM 1569 N TYR A 100 53.585 -11.023 -5.722 1.00 43.11 N ATOM 1570 CA TYR A 100 52.490 -11.724 -6.377 1.00 15.13 C ATOM 1571 C TYR A 100 52.827 -12.012 -7.821 1.00 34.44 C ATOM 1572 O TYR A 100 52.723 -13.140 -8.261 1.00 3.54 O ATOM 1573 CB TYR A 100 51.187 -10.925 -6.340 1.00 21.14 C ATOM 1574 CG TYR A 100 50.752 -10.470 -4.973 1.00 60.15 C ATOM 1575 CD1 TYR A 100 50.946 -11.257 -3.843 1.00 74.45 C ATOM 1576 CD2 TYR A 100 50.155 -9.236 -4.814 1.00 64.34 C ATOM 1577 CE1 TYR A 100 50.552 -10.821 -2.598 1.00 71.11 C ATOM 1578 CE2 TYR A 100 49.757 -8.790 -3.582 1.00 62.13 C ATOM 1579 CZ TYR A 100 49.954 -9.579 -2.472 1.00 51.34 C ATOM 1580 OH TYR A 100 49.542 -9.124 -1.234 1.00 40.22 O ATOM 0 H TYR A 100 53.329 -10.118 -5.328 1.00 43.11 H new ATOM 0 HA TYR A 100 52.349 -12.654 -5.826 1.00 15.13 H new ATOM 0 HB2 TYR A 100 51.299 -10.049 -6.978 1.00 21.14 H new ATOM 0 HB3 TYR A 100 50.393 -11.535 -6.772 1.00 21.14 H new ATOM 0 HD1 TYR A 100 51.413 -12.226 -3.944 1.00 74.45 H new ATOM 0 HD2 TYR A 100 49.998 -8.609 -5.679 1.00 64.34 H new ATOM 0 HE1 TYR A 100 50.708 -11.442 -1.728 1.00 71.11 H new ATOM 0 HE2 TYR A 100 49.290 -7.822 -3.482 1.00 62.13 H new ATOM 0 HH TYR A 100 50.248 -9.288 -0.574 1.00 40.22 H new ATOM 1590 N THR A 101 53.296 -11.003 -8.529 1.00 71.31 N ATOM 1591 CA THR A 101 53.567 -11.134 -9.939 1.00 4.12 C ATOM 1592 C THR A 101 54.768 -12.036 -10.248 1.00 22.22 C ATOM 1593 O THR A 101 54.741 -12.780 -11.219 1.00 14.53 O ATOM 1594 CB THR A 101 53.663 -9.767 -10.650 1.00 52.21 C ATOM 1595 OG1 THR A 101 54.462 -8.857 -9.878 1.00 1.34 O ATOM 1596 CG2 THR A 101 52.275 -9.180 -10.866 1.00 55.24 C ATOM 0 H THR A 101 53.497 -10.080 -8.144 1.00 71.31 H new ATOM 0 HA THR A 101 52.700 -11.646 -10.356 1.00 4.12 H new ATOM 0 HB THR A 101 54.136 -9.919 -11.620 1.00 52.21 H new ATOM 0 HG1 THR A 101 53.925 -8.491 -9.145 1.00 1.34 H new ATOM 0 HG21 THR A 101 52.362 -8.217 -11.368 1.00 55.24 H new ATOM 0 HG22 THR A 101 51.685 -9.859 -11.482 1.00 55.24 H new ATOM 0 HG23 THR A 101 51.783 -9.044 -9.903 1.00 55.24 H new ATOM 1604 N MET A 102 55.784 -12.021 -9.393 1.00 34.35 N ATOM 1605 CA MET A 102 56.957 -12.884 -9.585 1.00 63.42 C ATOM 1606 C MET A 102 56.593 -14.350 -9.430 1.00 13.22 C ATOM 1607 O MET A 102 57.173 -15.229 -10.080 1.00 73.13 O ATOM 1608 CB MET A 102 58.116 -12.505 -8.654 1.00 43.15 C ATOM 1609 CG MET A 102 58.765 -11.167 -8.988 1.00 11.42 C ATOM 1610 SD MET A 102 60.188 -10.767 -7.937 1.00 45.04 S ATOM 1611 CE MET A 102 59.416 -10.698 -6.321 1.00 54.24 C ATOM 0 H MET A 102 55.825 -11.428 -8.564 1.00 34.35 H new ATOM 0 HA MET A 102 57.301 -12.725 -10.607 1.00 63.42 H new ATOM 0 HB2 MET A 102 57.749 -12.474 -7.628 1.00 43.15 H new ATOM 0 HB3 MET A 102 58.875 -13.287 -8.698 1.00 43.15 H new ATOM 0 HG2 MET A 102 59.085 -11.178 -10.030 1.00 11.42 H new ATOM 0 HG3 MET A 102 58.020 -10.377 -8.892 1.00 11.42 H new ATOM 0 HE1 MET A 102 60.122 -10.290 -5.598 1.00 54.24 H new ATOM 0 HE2 MET A 102 58.533 -10.060 -6.366 1.00 54.24 H new ATOM 0 HE3 MET A 102 59.122 -11.702 -6.015 1.00 54.24 H new ATOM 1621 N ILE A 103 55.606 -14.606 -8.609 1.00 3.21 N ATOM 1622 CA ILE A 103 55.128 -15.955 -8.382 1.00 52.20 C ATOM 1623 C ILE A 103 54.157 -16.305 -9.501 1.00 5.52 C ATOM 1624 O ILE A 103 54.245 -17.369 -10.114 1.00 70.30 O ATOM 1625 CB ILE A 103 54.414 -16.061 -7.008 1.00 14.12 C ATOM 1626 CG1 ILE A 103 55.361 -15.624 -5.888 1.00 12.42 C ATOM 1627 CG2 ILE A 103 53.934 -17.488 -6.761 1.00 5.55 C ATOM 1628 CD1 ILE A 103 54.697 -15.471 -4.528 1.00 2.12 C ATOM 0 H ILE A 103 55.109 -13.890 -8.078 1.00 3.21 H new ATOM 0 HA ILE A 103 55.969 -16.648 -8.375 1.00 52.20 H new ATOM 0 HB ILE A 103 53.547 -15.401 -7.018 1.00 14.12 H new ATOM 0 HG12 ILE A 103 56.167 -16.353 -5.805 1.00 12.42 H new ATOM 0 HG13 ILE A 103 55.818 -14.674 -6.165 1.00 12.42 H new ATOM 0 HG21 ILE A 103 53.436 -17.542 -5.793 1.00 5.55 H new ATOM 0 HG22 ILE A 103 53.235 -17.778 -7.545 1.00 5.55 H new ATOM 0 HG23 ILE A 103 54.788 -18.165 -6.768 1.00 5.55 H new ATOM 0 HD11 ILE A 103 55.440 -15.159 -3.794 1.00 2.12 H new ATOM 0 HD12 ILE A 103 53.910 -14.719 -4.590 1.00 2.12 H new ATOM 0 HD13 ILE A 103 54.265 -16.425 -4.225 1.00 2.12 H new ATOM 1640 N TYR A 104 53.282 -15.353 -9.803 1.00 40.11 N ATOM 1641 CA TYR A 104 52.277 -15.463 -10.839 1.00 44.15 C ATOM 1642 C TYR A 104 52.896 -15.724 -12.217 1.00 13.14 C ATOM 1643 O TYR A 104 52.324 -16.430 -13.041 1.00 40.12 O ATOM 1644 CB TYR A 104 51.387 -14.216 -10.787 1.00 10.23 C ATOM 1645 CG TYR A 104 50.898 -13.691 -12.092 1.00 54.34 C ATOM 1646 CD1 TYR A 104 51.661 -12.783 -12.783 1.00 54.33 C ATOM 1647 CD2 TYR A 104 49.689 -14.076 -12.610 1.00 23.41 C ATOM 1648 CE1 TYR A 104 51.233 -12.259 -13.982 1.00 5.31 C ATOM 1649 CE2 TYR A 104 49.240 -13.571 -13.811 1.00 54.14 C ATOM 1650 CZ TYR A 104 50.014 -12.659 -14.495 1.00 60.51 C ATOM 1651 OH TYR A 104 49.564 -12.144 -15.689 1.00 1.15 O ATOM 0 H TYR A 104 53.256 -14.458 -9.315 1.00 40.11 H new ATOM 0 HA TYR A 104 51.649 -16.336 -10.658 1.00 44.15 H new ATOM 0 HB2 TYR A 104 50.521 -14.441 -10.164 1.00 10.23 H new ATOM 0 HB3 TYR A 104 51.942 -13.422 -10.287 1.00 10.23 H new ATOM 0 HD1 TYR A 104 52.614 -12.474 -12.379 1.00 54.33 H new ATOM 0 HD2 TYR A 104 49.080 -14.785 -12.069 1.00 23.41 H new ATOM 0 HE1 TYR A 104 51.842 -11.544 -14.515 1.00 5.31 H new ATOM 0 HE2 TYR A 104 48.289 -13.888 -14.213 1.00 54.14 H new ATOM 0 HH TYR A 104 48.690 -12.533 -15.904 1.00 1.15 H new ATOM 1661 N ARG A 105 54.070 -15.163 -12.431 1.00 53.53 N ATOM 1662 CA ARG A 105 54.883 -15.367 -13.636 1.00 5.51 C ATOM 1663 C ARG A 105 55.178 -16.852 -13.859 1.00 13.24 C ATOM 1664 O ARG A 105 55.356 -17.309 -14.996 1.00 2.23 O ATOM 1665 CB ARG A 105 56.219 -14.602 -13.474 1.00 24.32 C ATOM 1666 CG ARG A 105 57.305 -14.959 -14.491 1.00 13.52 C ATOM 1667 CD ARG A 105 58.599 -14.212 -14.214 1.00 62.13 C ATOM 1668 NE ARG A 105 59.732 -14.771 -14.975 1.00 23.52 N ATOM 1669 CZ ARG A 105 60.792 -14.076 -15.411 1.00 63.44 C ATOM 1670 NH1 ARG A 105 60.834 -12.763 -15.283 1.00 4.40 N ATOM 1671 NH2 ARG A 105 61.803 -14.702 -15.992 1.00 43.11 N ATOM 0 H ARG A 105 54.506 -14.533 -11.758 1.00 53.53 H new ATOM 0 HA ARG A 105 54.329 -14.995 -14.497 1.00 5.51 H new ATOM 0 HB2 ARG A 105 56.017 -13.533 -13.543 1.00 24.32 H new ATOM 0 HB3 ARG A 105 56.607 -14.789 -12.473 1.00 24.32 H new ATOM 0 HG2 ARG A 105 57.491 -16.033 -14.463 1.00 13.52 H new ATOM 0 HG3 ARG A 105 56.955 -14.722 -15.496 1.00 13.52 H new ATOM 0 HD2 ARG A 105 58.473 -13.160 -14.471 1.00 62.13 H new ATOM 0 HD3 ARG A 105 58.822 -14.255 -13.148 1.00 62.13 H new ATOM 0 HE ARG A 105 59.707 -15.768 -15.187 1.00 23.52 H new ATOM 0 HH11 ARG A 105 60.055 -12.268 -14.849 1.00 4.40 H new ATOM 0 HH12 ARG A 105 61.645 -12.244 -15.618 1.00 4.40 H new ATOM 0 HH21 ARG A 105 61.776 -15.715 -16.109 1.00 43.11 H new ATOM 0 HH22 ARG A 105 62.609 -14.171 -16.323 1.00 43.11 H new ATOM 1685 N ASN A 106 55.194 -17.593 -12.786 1.00 14.40 N ATOM 1686 CA ASN A 106 55.596 -18.978 -12.829 1.00 75.13 C ATOM 1687 C ASN A 106 54.443 -19.936 -12.600 1.00 64.35 C ATOM 1688 O ASN A 106 54.644 -21.150 -12.478 1.00 43.10 O ATOM 1689 CB ASN A 106 56.736 -19.243 -11.853 1.00 32.11 C ATOM 1690 CG ASN A 106 58.045 -18.600 -12.282 1.00 41.53 C ATOM 1691 OD1 ASN A 106 58.779 -19.159 -13.086 1.00 63.30 O ATOM 1692 ND2 ASN A 106 58.369 -17.445 -11.741 1.00 61.11 N ATOM 0 H ASN A 106 54.931 -17.259 -11.859 1.00 14.40 H new ATOM 0 HA ASN A 106 55.954 -19.168 -13.841 1.00 75.13 H new ATOM 0 HB2 ASN A 106 56.459 -18.868 -10.868 1.00 32.11 H new ATOM 0 HB3 ASN A 106 56.881 -20.319 -11.755 1.00 32.11 H new ATOM 0 HD21 ASN A 106 59.250 -16.995 -11.989 1.00 61.11 H new ATOM 0 HD22 ASN A 106 57.739 -17.000 -11.073 1.00 61.11 H new ATOM 1699 N LEU A 107 53.251 -19.412 -12.557 1.00 34.24 N ATOM 1700 CA LEU A 107 52.065 -20.234 -12.392 1.00 22.31 C ATOM 1701 C LEU A 107 51.065 -19.869 -13.475 1.00 22.33 C ATOM 1702 O LEU A 107 51.215 -18.828 -14.119 1.00 3.21 O ATOM 1703 CB LEU A 107 51.467 -20.044 -10.979 1.00 10.31 C ATOM 1704 CG LEU A 107 50.870 -18.677 -10.670 1.00 32.14 C ATOM 1705 CD1 LEU A 107 49.397 -18.581 -11.033 1.00 53.04 C ATOM 1706 CD2 LEU A 107 51.130 -18.262 -9.249 1.00 33.10 C ATOM 0 H LEU A 107 53.064 -18.412 -12.634 1.00 34.24 H new ATOM 0 HA LEU A 107 52.324 -21.288 -12.491 1.00 22.31 H new ATOM 0 HB2 LEU A 107 50.691 -20.796 -10.833 1.00 10.31 H new ATOM 0 HB3 LEU A 107 52.249 -20.248 -10.248 1.00 10.31 H new ATOM 0 HG LEU A 107 51.386 -17.964 -11.313 1.00 32.14 H new ATOM 0 HD11 LEU A 107 49.027 -17.585 -10.790 1.00 53.04 H new ATOM 0 HD12 LEU A 107 49.273 -18.764 -12.100 1.00 53.04 H new ATOM 0 HD13 LEU A 107 48.834 -19.325 -10.469 1.00 53.04 H new ATOM 0 HD21 LEU A 107 50.688 -17.282 -9.070 1.00 33.10 H new ATOM 0 HD22 LEU A 107 50.686 -18.990 -8.570 1.00 33.10 H new ATOM 0 HD23 LEU A 107 52.205 -18.213 -9.075 1.00 33.10 H new ATOM 1718 N VAL A 108 50.072 -20.690 -13.711 1.00 63.11 N ATOM 1719 CA VAL A 108 49.106 -20.324 -14.725 1.00 1.01 C ATOM 1720 C VAL A 108 47.751 -19.978 -14.166 1.00 71.42 C ATOM 1721 O VAL A 108 47.166 -20.736 -13.386 1.00 31.43 O ATOM 1722 CB VAL A 108 48.998 -21.290 -15.941 1.00 35.03 C ATOM 1723 CG1 VAL A 108 50.287 -21.292 -16.734 1.00 45.42 C ATOM 1724 CG2 VAL A 108 48.629 -22.700 -15.528 1.00 72.10 C ATOM 0 H VAL A 108 49.911 -21.580 -13.240 1.00 63.11 H new ATOM 0 HA VAL A 108 49.534 -19.410 -15.137 1.00 1.01 H new ATOM 0 HB VAL A 108 48.191 -20.919 -16.572 1.00 35.03 H new ATOM 0 HG11 VAL A 108 50.193 -21.973 -17.580 1.00 45.42 H new ATOM 0 HG12 VAL A 108 50.491 -20.286 -17.099 1.00 45.42 H new ATOM 0 HG13 VAL A 108 51.107 -21.619 -16.095 1.00 45.42 H new ATOM 0 HG21 VAL A 108 48.567 -23.334 -16.413 1.00 72.10 H new ATOM 0 HG22 VAL A 108 49.390 -23.092 -14.853 1.00 72.10 H new ATOM 0 HG23 VAL A 108 47.665 -22.690 -15.020 1.00 72.10 H new ATOM 1794 N THR B 305 60.934 -9.382 11.381 1.00 33.52 N ATOM 1795 CA THR B 305 61.606 -10.558 10.944 1.00 3.31 C ATOM 1796 C THR B 305 60.887 -11.157 9.727 1.00 54.44 C ATOM 1797 O THR B 305 59.658 -10.964 9.548 1.00 34.54 O ATOM 1798 CB THR B 305 61.730 -11.593 12.103 1.00 43.20 C ATOM 1799 OG1 THR B 305 62.494 -12.723 11.688 1.00 13.01 O ATOM 1800 CG2 THR B 305 60.364 -12.062 12.587 1.00 31.13 C ATOM 0 HA THR B 305 62.618 -10.290 10.641 1.00 3.31 H new ATOM 0 HB THR B 305 62.237 -11.091 12.927 1.00 43.20 H new ATOM 0 HG1 THR B 305 62.563 -13.361 12.429 1.00 13.01 H new ATOM 0 HG21 THR B 305 60.492 -12.782 13.395 1.00 31.13 H new ATOM 0 HG22 THR B 305 59.793 -11.207 12.950 1.00 31.13 H new ATOM 0 HG23 THR B 305 59.828 -12.533 11.763 1.00 31.13 H new ATOM 1808 N PHE B 306 61.647 -11.886 8.919 1.00 23.43 N ATOM 1809 CA PHE B 306 61.188 -12.474 7.663 1.00 31.21 C ATOM 1810 C PHE B 306 60.001 -13.404 7.892 1.00 61.12 C ATOM 1811 O PHE B 306 59.003 -13.360 7.157 1.00 3.43 O ATOM 1812 CB PHE B 306 62.359 -13.208 6.991 1.00 53.41 C ATOM 1813 CG PHE B 306 62.027 -13.858 5.685 1.00 65.10 C ATOM 1814 CD1 PHE B 306 61.884 -13.100 4.539 1.00 73.14 C ATOM 1815 CD2 PHE B 306 61.875 -15.229 5.608 1.00 42.23 C ATOM 1816 CE1 PHE B 306 61.588 -13.694 3.335 1.00 14.34 C ATOM 1817 CE2 PHE B 306 61.580 -15.837 4.416 1.00 4.02 C ATOM 1818 CZ PHE B 306 61.434 -15.070 3.269 1.00 41.22 C ATOM 0 H PHE B 306 62.625 -12.091 9.123 1.00 23.43 H new ATOM 0 HA PHE B 306 60.843 -11.681 7.000 1.00 31.21 H new ATOM 0 HB2 PHE B 306 63.170 -12.498 6.831 1.00 53.41 H new ATOM 0 HB3 PHE B 306 62.732 -13.970 7.675 1.00 53.41 H new ATOM 0 HD1 PHE B 306 62.006 -12.028 4.589 1.00 73.14 H new ATOM 0 HD2 PHE B 306 61.990 -15.829 6.499 1.00 42.23 H new ATOM 0 HE1 PHE B 306 61.476 -13.092 2.445 1.00 14.34 H new ATOM 0 HE2 PHE B 306 61.462 -16.909 4.369 1.00 4.02 H new ATOM 0 HZ PHE B 306 61.201 -15.544 2.327 1.00 41.22 H new ATOM 1828 N GLU B 307 60.105 -14.180 8.954 1.00 22.24 N ATOM 1829 CA GLU B 307 59.092 -15.131 9.407 1.00 73.43 C ATOM 1830 C GLU B 307 57.707 -14.459 9.524 1.00 33.30 C ATOM 1831 O GLU B 307 56.665 -15.076 9.255 1.00 31.35 O ATOM 1832 CB GLU B 307 59.529 -15.639 10.778 1.00 34.14 C ATOM 1833 CG GLU B 307 58.687 -16.738 11.384 1.00 23.45 C ATOM 1834 CD GLU B 307 59.135 -17.049 12.785 1.00 64.23 C ATOM 1835 OE1 GLU B 307 60.176 -17.719 12.960 1.00 13.13 O ATOM 1836 OE2 GLU B 307 58.460 -16.591 13.754 1.00 53.15 O ATOM 0 H GLU B 307 60.930 -14.169 9.554 1.00 22.24 H new ATOM 0 HA GLU B 307 59.003 -15.946 8.688 1.00 73.43 H new ATOM 0 HB2 GLU B 307 60.555 -15.998 10.699 1.00 34.14 H new ATOM 0 HB3 GLU B 307 59.539 -14.795 11.468 1.00 34.14 H new ATOM 0 HG2 GLU B 307 57.640 -16.436 11.392 1.00 23.45 H new ATOM 0 HG3 GLU B 307 58.756 -17.635 10.769 1.00 23.45 H new ATOM 1843 N HIS B 308 57.705 -13.193 9.885 1.00 4.31 N ATOM 1844 CA HIS B 308 56.477 -12.467 10.085 1.00 63.23 C ATOM 1845 C HIS B 308 56.068 -11.773 8.802 1.00 43.42 C ATOM 1846 O HIS B 308 54.979 -11.991 8.295 1.00 4.03 O ATOM 1847 CB HIS B 308 56.649 -11.409 11.182 1.00 63.24 C ATOM 1848 CG HIS B 308 55.360 -10.842 11.721 1.00 24.31 C ATOM 1849 ND1 HIS B 308 54.621 -9.845 11.097 1.00 22.21 N ATOM 1850 CD2 HIS B 308 54.698 -11.125 12.863 1.00 2.42 C ATOM 1851 CE1 HIS B 308 53.576 -9.548 11.835 1.00 61.43 C ATOM 1852 NE2 HIS B 308 53.599 -10.308 12.914 1.00 65.13 N ATOM 0 H HIS B 308 58.550 -12.645 10.046 1.00 4.31 H new ATOM 0 HA HIS B 308 55.708 -13.180 10.384 1.00 63.23 H new ATOM 0 HB2 HIS B 308 57.209 -11.849 12.007 1.00 63.24 H new ATOM 0 HB3 HIS B 308 57.252 -10.591 10.787 1.00 63.24 H new ATOM 0 HD2 HIS B 308 54.982 -11.860 13.601 1.00 2.42 H new ATOM 0 HE1 HIS B 308 52.826 -8.808 11.599 1.00 61.43 H new ATOM 0 HE2 HIS B 308 52.909 -10.290 13.665 1.00 65.13 H new ATOM 1860 N LEU B 309 56.979 -10.984 8.263 1.00 64.14 N ATOM 1861 CA LEU B 309 56.689 -10.089 7.142 1.00 52.01 C ATOM 1862 C LEU B 309 56.328 -10.788 5.826 1.00 42.30 C ATOM 1863 O LEU B 309 55.543 -10.265 5.036 1.00 13.44 O ATOM 1864 CB LEU B 309 57.803 -9.019 6.978 1.00 30.00 C ATOM 1865 CG LEU B 309 59.270 -9.495 6.871 1.00 51.22 C ATOM 1866 CD1 LEU B 309 59.534 -10.232 5.584 1.00 10.42 C ATOM 1867 CD2 LEU B 309 60.233 -8.335 7.030 1.00 12.40 C ATOM 0 H LEU B 309 57.945 -10.941 8.586 1.00 64.14 H new ATOM 0 HA LEU B 309 55.766 -9.575 7.411 1.00 52.01 H new ATOM 0 HB2 LEU B 309 57.576 -8.438 6.084 1.00 30.00 H new ATOM 0 HB3 LEU B 309 57.736 -8.338 7.826 1.00 30.00 H new ATOM 0 HG LEU B 309 59.436 -10.197 7.688 1.00 51.22 H new ATOM 0 HD11 LEU B 309 60.577 -10.547 5.553 1.00 10.42 H new ATOM 0 HD12 LEU B 309 58.888 -11.108 5.527 1.00 10.42 H new ATOM 0 HD13 LEU B 309 59.328 -9.574 4.739 1.00 10.42 H new ATOM 0 HD21 LEU B 309 61.257 -8.699 6.950 1.00 12.40 H new ATOM 0 HD22 LEU B 309 60.048 -7.599 6.248 1.00 12.40 H new ATOM 0 HD23 LEU B 309 60.087 -7.872 8.006 1.00 12.40 H new ATOM 1879 N TRP B 310 56.866 -11.955 5.612 1.00 43.14 N ATOM 1880 CA TRP B 310 56.633 -12.673 4.385 1.00 14.01 C ATOM 1881 C TRP B 310 55.307 -13.396 4.459 1.00 31.23 C ATOM 1882 O TRP B 310 54.471 -13.296 3.565 1.00 14.12 O ATOM 1883 CB TRP B 310 57.794 -13.639 4.120 1.00 43.11 C ATOM 1884 CG TRP B 310 57.579 -14.552 2.963 1.00 74.31 C ATOM 1885 CD1 TRP B 310 57.159 -15.824 3.031 1.00 32.35 C ATOM 1886 CD2 TRP B 310 57.754 -14.264 1.578 1.00 15.41 C ATOM 1887 NE1 TRP B 310 57.063 -16.359 1.780 1.00 45.03 N ATOM 1888 CE2 TRP B 310 57.423 -15.429 0.869 1.00 2.52 C ATOM 1889 CE3 TRP B 310 58.157 -13.149 0.872 1.00 3.22 C ATOM 1890 CZ2 TRP B 310 57.479 -15.508 -0.515 1.00 23.13 C ATOM 1891 CZ3 TRP B 310 58.213 -13.222 -0.499 1.00 70.43 C ATOM 1892 CH2 TRP B 310 57.876 -14.395 -1.183 1.00 52.42 C ATOM 0 H TRP B 310 57.474 -12.435 6.275 1.00 43.14 H new ATOM 0 HA TRP B 310 56.585 -11.974 3.550 1.00 14.01 H new ATOM 0 HB2 TRP B 310 58.701 -13.060 3.947 1.00 43.11 H new ATOM 0 HB3 TRP B 310 57.964 -14.238 5.014 1.00 43.11 H new ATOM 0 HD1 TRP B 310 56.929 -16.350 3.946 1.00 32.35 H new ATOM 0 HE1 TRP B 310 56.766 -17.311 1.566 1.00 45.03 H new ATOM 0 HE3 TRP B 310 58.423 -12.237 1.387 1.00 3.22 H new ATOM 0 HZ2 TRP B 310 57.218 -16.416 -1.038 1.00 23.13 H new ATOM 0 HZ3 TRP B 310 58.524 -12.354 -1.061 1.00 70.43 H new ATOM 0 HH2 TRP B 310 57.933 -14.415 -2.261 1.00 52.42 H new ATOM 1903 N SER B 311 55.095 -14.059 5.566 1.00 14.42 N ATOM 1904 CA SER B 311 53.896 -14.828 5.804 1.00 14.14 C ATOM 1905 C SER B 311 52.662 -13.915 5.940 1.00 41.41 C ATOM 1906 O SER B 311 51.533 -14.368 5.882 1.00 31.14 O ATOM 1907 CB SER B 311 54.097 -15.623 7.083 1.00 42.43 C ATOM 1908 OG SER B 311 55.373 -16.259 7.068 1.00 14.24 O ATOM 0 H SER B 311 55.759 -14.082 6.340 1.00 14.42 H new ATOM 0 HA SER B 311 53.717 -15.493 4.959 1.00 14.14 H new ATOM 0 HB2 SER B 311 54.021 -14.963 7.947 1.00 42.43 H new ATOM 0 HB3 SER B 311 53.310 -16.371 7.183 1.00 42.43 H new ATOM 0 HG SER B 311 55.920 -15.913 7.804 1.00 14.24 H new ATOM 1914 N SER B 312 52.903 -12.635 6.098 1.00 1.11 N ATOM 1915 CA SER B 312 51.860 -11.674 6.317 1.00 11.44 C ATOM 1916 C SER B 312 51.771 -10.657 5.175 1.00 60.40 C ATOM 1917 O SER B 312 51.169 -9.595 5.339 1.00 41.34 O ATOM 1918 CB SER B 312 52.134 -10.959 7.632 1.00 21.31 C ATOM 1919 OG SER B 312 52.215 -11.897 8.711 1.00 22.34 O ATOM 0 H SER B 312 53.840 -12.232 6.077 1.00 1.11 H new ATOM 0 HA SER B 312 50.904 -12.197 6.355 1.00 11.44 H new ATOM 0 HB2 SER B 312 53.066 -10.399 7.560 1.00 21.31 H new ATOM 0 HB3 SER B 312 51.343 -10.236 7.830 1.00 21.31 H new ATOM 0 HG SER B 312 53.149 -12.164 8.843 1.00 22.34 H new ATOM 1925 N LEU B 313 52.317 -10.969 3.995 1.00 4.23 N ATOM 1926 CA LEU B 313 52.309 -9.949 2.949 1.00 14.51 C ATOM 1927 C LEU B 313 51.051 -10.006 2.096 1.00 52.23 C ATOM 1928 O LEU B 313 50.918 -9.296 1.091 1.00 52.02 O ATOM 1929 CB LEU B 313 53.627 -9.905 2.134 1.00 61.41 C ATOM 1930 CG LEU B 313 54.038 -11.099 1.264 1.00 1.40 C ATOM 1931 CD1 LEU B 313 53.202 -11.193 -0.008 1.00 73.31 C ATOM 1932 CD2 LEU B 313 55.501 -10.983 0.921 1.00 23.23 C ATOM 0 H LEU B 313 52.745 -11.862 3.751 1.00 4.23 H new ATOM 0 HA LEU B 313 52.270 -8.984 3.455 1.00 14.51 H new ATOM 0 HB2 LEU B 313 53.574 -9.033 1.482 1.00 61.41 H new ATOM 0 HB3 LEU B 313 54.438 -9.726 2.840 1.00 61.41 H new ATOM 0 HG LEU B 313 53.860 -12.012 1.832 1.00 1.40 H new ATOM 0 HD11 LEU B 313 53.527 -12.053 -0.594 1.00 73.31 H new ATOM 0 HD12 LEU B 313 52.151 -11.310 0.255 1.00 73.31 H new ATOM 0 HD13 LEU B 313 53.330 -10.284 -0.596 1.00 73.31 H new ATOM 0 HD21 LEU B 313 55.798 -11.830 0.302 1.00 23.23 H new ATOM 0 HD22 LEU B 313 55.674 -10.056 0.374 1.00 23.23 H new ATOM 0 HD23 LEU B 313 56.090 -10.979 1.838 1.00 23.23 H new ATOM 1944 N GLU B 314 50.124 -10.835 2.533 1.00 50.02 N ATOM 1945 CA GLU B 314 48.832 -10.995 1.901 1.00 22.11 C ATOM 1946 C GLU B 314 47.993 -9.724 2.139 1.00 24.03 C ATOM 1947 O GLU B 314 48.267 -8.959 3.077 1.00 52.11 O ATOM 1948 CB GLU B 314 48.104 -12.217 2.497 1.00 41.12 C ATOM 1949 CG GLU B 314 47.782 -12.074 3.978 1.00 31.33 C ATOM 1950 CD GLU B 314 46.995 -13.236 4.531 1.00 73.45 C ATOM 1951 OE1 GLU B 314 47.590 -14.259 4.869 1.00 13.23 O ATOM 1952 OE2 GLU B 314 45.753 -13.138 4.632 1.00 40.53 O ATOM 0 H GLU B 314 50.251 -11.427 3.354 1.00 50.02 H new ATOM 0 HA GLU B 314 48.967 -11.151 0.831 1.00 22.11 H new ATOM 0 HB2 GLU B 314 47.177 -12.381 1.947 1.00 41.12 H new ATOM 0 HB3 GLU B 314 48.722 -13.103 2.352 1.00 41.12 H new ATOM 0 HG2 GLU B 314 48.712 -11.975 4.537 1.00 31.33 H new ATOM 0 HG3 GLU B 314 47.217 -11.155 4.133 1.00 31.33 H new ATOM 1959 N PRO B 315 46.994 -9.460 1.303 1.00 10.45 N ATOM 1960 CA PRO B 315 46.144 -8.299 1.478 1.00 54.32 C ATOM 1961 C PRO B 315 45.150 -8.452 2.634 1.00 3.22 C ATOM 1962 O PRO B 315 45.183 -7.672 3.611 1.00 2.51 O ATOM 1963 CB PRO B 315 45.421 -8.147 0.138 1.00 25.23 C ATOM 1964 CG PRO B 315 45.551 -9.464 -0.562 1.00 44.42 C ATOM 1965 CD PRO B 315 46.649 -10.243 0.106 1.00 62.12 C ATOM 0 HA PRO B 315 46.731 -7.420 1.744 1.00 54.32 H new ATOM 0 HB2 PRO B 315 44.373 -7.889 0.289 1.00 25.23 H new ATOM 0 HB3 PRO B 315 45.864 -7.347 -0.454 1.00 25.23 H new ATOM 0 HG2 PRO B 315 44.611 -10.014 -0.515 1.00 44.42 H new ATOM 0 HG3 PRO B 315 45.779 -9.313 -1.617 1.00 44.42 H new ATOM 0 HD2 PRO B 315 46.316 -11.246 0.372 1.00 62.12 H new ATOM 0 HD3 PRO B 315 47.510 -10.357 -0.553 1.00 62.12 H new ATOM 1973 N ASP B 316 44.324 -9.469 2.563 1.00 41.21 N ATOM 1974 CA ASP B 316 43.259 -9.669 3.508 1.00 41.22 C ATOM 1975 C ASP B 316 42.759 -11.087 3.392 1.00 10.30 C ATOM 1976 O ASP B 316 42.408 -11.705 4.401 1.00 0.00 O ATOM 1977 CB ASP B 316 42.137 -8.668 3.232 1.00 11.05 C ATOM 1978 CG ASP B 316 40.917 -8.876 4.095 1.00 61.13 C ATOM 1979 OD1 ASP B 316 40.984 -8.614 5.312 1.00 52.21 O ATOM 1980 OD2 ASP B 316 39.855 -9.284 3.568 1.00 1.52 O ATOM 1981 OXT ASP B 316 42.804 -11.637 2.278 1.00 0.00 O ATOM 0 H ASP B 316 44.376 -10.186 1.839 1.00 41.21 H new ATOM 0 HA ASP B 316 43.620 -9.506 4.524 1.00 41.22 H new ATOM 0 HB2 ASP B 316 42.515 -7.658 3.390 1.00 11.05 H new ATOM 0 HB3 ASP B 316 41.847 -8.740 2.184 1.00 11.05 H new