USER MOD reduce.3.24.130724 H: found=0, std=0, add=1008, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1009 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 LYS NZ :NH3+ -161:sc= 1.09 (180deg=0.797) USER MOD Set 1.2: A 139 ASN :FLIP amide:sc= -2.26 F(o=-2.4!,f=-1.2) USER MOD Set 2.1: A 119 TYR OH : rot 8:sc= 1.59 USER MOD Set 2.2: A 123 LYS NZ :NH3+ -168:sc= 1.61 (180deg=0.589) USER MOD Set 3.1: A 111 GLN : amide:sc= 0.964 K(o=2.2,f=-9.9!) USER MOD Set 3.2: A 114 LYS NZ :NH3+ 158:sc= 1.23 (180deg=0) USER MOD Set 4.1: A 103 SER OG : rot 180:sc= 0.405 USER MOD Set 4.2: A 107 THR OG1 : rot 114:sc= 0.575 USER MOD Set 5.1: A 46 MET CE :methyl 178:sc= -4.57! (180deg=-4.64!) USER MOD Set 5.2: A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0572 F(o=-0.81,f=-0.057) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.109 (180deg=-0.45) USER MOD Single : A 44 SER OG : rot 91:sc=0.000827 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 MET CE :methyl -121:sc= 0 (180deg=-0.151) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.0338 (180deg=-0.297) USER MOD Single : A 62 GLN : amide:sc= 0.73 K(o=0.73,f=-0.0037) USER MOD Single : A 68 MET CE :methyl -165:sc= -0.0692 (180deg=-0.372) USER MOD Single : A 70 TYR OH : rot 150:sc=-0.00461 USER MOD Single : A 74 THR OG1 : rot -76:sc= 0.862 USER MOD Single : A 76 LYS NZ :NH3+ -155:sc= 1.24 (180deg=0.429) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= -0.0477 USER MOD Single : A 93 LYS NZ :NH3+ -164:sc= -0.0509 (180deg=-0.285) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 99 THR OG1 : rot -22:sc= 0.499 USER MOD Single : A 100 SER OG : rot -27:sc= 1.04 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 174:sc= 0.803 USER MOD Single : A 113 MET CE :methyl -154:sc= -1.44 (180deg=-2.36) USER MOD Single : A 115 TYR OH : rot -100:sc= 0.616 USER MOD Single : A 117 TYR OH : rot -110:sc= -0.527 USER MOD Single : A 121 CYS SG : rot 68:sc= -0.0325 USER MOD Single : A 127 SER OG : rot -84:sc= 0.253 USER MOD Single : A 128 ASN : amide:sc= -0.17 X(o=-0.17,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.562 K(o=-0.56,f=-5.3!) USER MOD Single : A 133 GLN : amide:sc= 0.0926 X(o=0.093,f=-0.059) USER MOD Single : A 138 SER OG : rot 76:sc= 0.435 USER MOD ----------------------------------------------------------------- ATOM 350 N PHE A 23 -5.469 -18.041 1.777 1.00 52.53 N ATOM 351 CA PHE A 23 -4.128 -17.753 2.298 1.00 54.35 C ATOM 352 C PHE A 23 -4.176 -17.404 3.800 1.00 23.51 C ATOM 353 O PHE A 23 -4.400 -16.253 4.183 1.00 43.30 O ATOM 354 CB PHE A 23 -3.496 -16.609 1.491 1.00 54.14 C ATOM 355 CG PHE A 23 -1.990 -16.553 1.584 1.00 4.15 C ATOM 356 CD1 PHE A 23 -1.203 -17.259 0.683 1.00 23.43 C ATOM 357 CD2 PHE A 23 -1.361 -15.792 2.558 1.00 63.43 C ATOM 358 CE1 PHE A 23 0.175 -17.207 0.752 1.00 64.41 C ATOM 359 CE2 PHE A 23 0.017 -15.739 2.632 1.00 1.53 C ATOM 360 CZ PHE A 23 0.787 -16.445 1.727 1.00 53.24 C ATOM 0 HA PHE A 23 -3.513 -18.646 2.191 1.00 54.35 H new ATOM 0 HB2 PHE A 23 -3.782 -16.715 0.444 1.00 54.14 H new ATOM 0 HB3 PHE A 23 -3.907 -15.662 1.839 1.00 54.14 H new ATOM 0 HD1 PHE A 23 -1.676 -17.857 -0.082 1.00 23.43 H new ATOM 0 HD2 PHE A 23 -1.956 -15.235 3.267 1.00 63.43 H new ATOM 0 HE1 PHE A 23 0.773 -17.762 0.044 1.00 64.41 H new ATOM 0 HE2 PHE A 23 0.494 -15.145 3.398 1.00 1.53 H new ATOM 0 HZ PHE A 23 1.865 -16.401 1.782 1.00 53.24 H new ATOM 370 N LYS A 24 -3.968 -18.415 4.638 1.00 65.14 N ATOM 371 CA LYS A 24 -4.117 -18.285 6.095 1.00 0.13 C ATOM 372 C LYS A 24 -3.084 -17.331 6.725 1.00 74.13 C ATOM 373 O LYS A 24 -3.404 -16.594 7.661 1.00 60.51 O ATOM 374 CB LYS A 24 -4.001 -19.673 6.745 1.00 40.43 C ATOM 375 CG LYS A 24 -4.183 -19.675 8.262 1.00 35.54 C ATOM 376 CD LYS A 24 -5.627 -19.388 8.677 1.00 44.32 C ATOM 377 CE LYS A 24 -6.570 -20.504 8.241 1.00 33.12 C ATOM 378 NZ LYS A 24 -7.960 -20.279 8.717 1.00 65.15 N ATOM 0 H LYS A 24 -3.692 -19.348 4.333 1.00 65.14 H new ATOM 0 HA LYS A 24 -5.100 -17.853 6.280 1.00 0.13 H new ATOM 0 HB2 LYS A 24 -4.746 -20.333 6.301 1.00 40.43 H new ATOM 0 HB3 LYS A 24 -3.023 -20.092 6.508 1.00 40.43 H new ATOM 0 HG2 LYS A 24 -3.879 -20.643 8.660 1.00 35.54 H new ATOM 0 HG3 LYS A 24 -3.525 -18.927 8.705 1.00 35.54 H new ATOM 0 HD2 LYS A 24 -5.678 -19.270 9.759 1.00 44.32 H new ATOM 0 HD3 LYS A 24 -5.952 -18.445 8.238 1.00 44.32 H new ATOM 0 HE2 LYS A 24 -6.567 -20.576 7.153 1.00 33.12 H new ATOM 0 HE3 LYS A 24 -6.205 -21.457 8.625 1.00 33.12 H new ATOM 0 HZ1 LYS A 24 -8.567 -21.061 8.398 1.00 65.15 H new ATOM 0 HZ2 LYS A 24 -7.968 -20.236 9.756 1.00 65.15 H new ATOM 0 HZ3 LYS A 24 -8.319 -19.383 8.330 1.00 65.15 H new ATOM 392 N GLN A 25 -1.856 -17.344 6.205 1.00 41.30 N ATOM 393 CA GLN A 25 -0.746 -16.587 6.803 1.00 74.22 C ATOM 394 C GLN A 25 -1.102 -15.111 7.063 1.00 71.11 C ATOM 395 O GLN A 25 -0.867 -14.598 8.158 1.00 44.44 O ATOM 396 CB GLN A 25 0.501 -16.676 5.912 1.00 34.01 C ATOM 397 CG GLN A 25 1.729 -15.966 6.479 1.00 44.35 C ATOM 398 CD GLN A 25 2.136 -16.485 7.849 1.00 70.52 C ATOM 399 OE1 GLN A 25 1.612 -15.879 8.894 1.00 54.11 O flip ATOM 400 NE2 GLN A 25 2.914 -17.423 7.968 1.00 1.04 N flip ATOM 0 H GLN A 25 -1.601 -17.870 5.369 1.00 41.30 H new ATOM 0 HA GLN A 25 -0.541 -17.043 7.771 1.00 74.22 H new ATOM 0 HB2 GLN A 25 0.745 -17.726 5.751 1.00 34.01 H new ATOM 0 HB3 GLN A 25 0.267 -16.250 4.936 1.00 34.01 H new ATOM 0 HG2 GLN A 25 2.563 -16.087 5.788 1.00 44.35 H new ATOM 0 HG3 GLN A 25 1.525 -14.898 6.547 1.00 44.35 H new ATOM 0 HE21 GLN A 25 3.303 -17.871 7.138 1.00 1.04 H new ATOM 0 HE22 GLN A 25 3.173 -17.756 8.897 1.00 1.04 H new ATOM 409 N LEU A 26 -1.673 -14.440 6.064 1.00 71.25 N ATOM 410 CA LEU A 26 -2.037 -13.018 6.192 1.00 14.22 C ATOM 411 C LEU A 26 -3.018 -12.768 7.350 1.00 44.33 C ATOM 412 O LEU A 26 -3.024 -11.688 7.947 1.00 4.11 O ATOM 413 CB LEU A 26 -2.638 -12.490 4.880 1.00 24.11 C ATOM 414 CG LEU A 26 -1.647 -12.333 3.713 1.00 72.21 C ATOM 415 CD1 LEU A 26 -2.354 -11.784 2.475 1.00 33.20 C ATOM 416 CD2 LEU A 26 -0.479 -11.428 4.112 1.00 3.32 C ATOM 0 H LEU A 26 -1.896 -14.851 5.157 1.00 71.25 H new ATOM 0 HA LEU A 26 -1.117 -12.478 6.413 1.00 14.22 H new ATOM 0 HB2 LEU A 26 -3.435 -13.165 4.568 1.00 24.11 H new ATOM 0 HB3 LEU A 26 -3.098 -11.522 5.075 1.00 24.11 H new ATOM 0 HG LEU A 26 -1.248 -13.318 3.471 1.00 72.21 H new ATOM 0 HD11 LEU A 26 -1.636 -11.681 1.662 1.00 33.20 H new ATOM 0 HD12 LEU A 26 -3.146 -12.470 2.174 1.00 33.20 H new ATOM 0 HD13 LEU A 26 -2.785 -10.810 2.704 1.00 33.20 H new ATOM 0 HD21 LEU A 26 0.209 -11.331 3.272 1.00 3.32 H new ATOM 0 HD22 LEU A 26 -0.859 -10.444 4.386 1.00 3.32 H new ATOM 0 HD23 LEU A 26 0.045 -11.864 4.962 1.00 3.32 H new ATOM 428 N TYR A 27 -3.839 -13.762 7.667 1.00 11.31 N ATOM 429 CA TYR A 27 -4.798 -13.645 8.768 1.00 33.34 C ATOM 430 C TYR A 27 -4.124 -13.917 10.123 1.00 14.21 C ATOM 431 O TYR A 27 -4.328 -13.182 11.095 1.00 54.43 O ATOM 432 CB TYR A 27 -5.969 -14.612 8.553 1.00 14.30 C ATOM 433 CG TYR A 27 -6.777 -14.320 7.299 1.00 22.43 C ATOM 434 CD1 TYR A 27 -7.784 -13.361 7.307 1.00 35.25 C ATOM 435 CD2 TYR A 27 -6.533 -14.998 6.110 1.00 34.32 C ATOM 436 CE1 TYR A 27 -8.522 -13.086 6.171 1.00 24.25 C ATOM 437 CE2 TYR A 27 -7.268 -14.728 4.971 1.00 32.41 C ATOM 438 CZ TYR A 27 -8.260 -13.771 5.006 1.00 53.15 C ATOM 439 OH TYR A 27 -8.994 -13.498 3.870 1.00 20.43 O ATOM 0 H TYR A 27 -3.863 -14.658 7.180 1.00 11.31 H new ATOM 0 HA TYR A 27 -5.178 -12.623 8.780 1.00 33.34 H new ATOM 0 HB2 TYR A 27 -5.583 -15.630 8.498 1.00 14.30 H new ATOM 0 HB3 TYR A 27 -6.629 -14.568 9.419 1.00 14.30 H new ATOM 0 HD1 TYR A 27 -7.994 -12.821 8.218 1.00 35.25 H new ATOM 0 HD2 TYR A 27 -5.757 -15.748 6.076 1.00 34.32 H new ATOM 0 HE1 TYR A 27 -9.300 -12.338 6.197 1.00 24.25 H new ATOM 0 HE2 TYR A 27 -7.066 -15.265 4.056 1.00 32.41 H new ATOM 0 HH TYR A 27 -8.683 -14.067 3.135 1.00 20.43 H new ATOM 449 N GLU A 28 -3.303 -14.965 10.181 1.00 31.00 N ATOM 450 CA GLU A 28 -2.634 -15.357 11.429 1.00 73.02 C ATOM 451 C GLU A 28 -1.227 -14.746 11.561 1.00 32.43 C ATOM 452 O GLU A 28 -0.351 -15.326 12.210 1.00 52.41 O ATOM 453 CB GLU A 28 -2.552 -16.887 11.537 1.00 0.04 C ATOM 454 CG GLU A 28 -3.913 -17.575 11.542 1.00 50.32 C ATOM 455 CD GLU A 28 -3.839 -19.023 12.002 1.00 24.34 C ATOM 456 OE1 GLU A 28 -3.201 -19.844 11.316 1.00 32.34 O ATOM 457 OE2 GLU A 28 -4.420 -19.345 13.061 1.00 71.21 O ATOM 0 H GLU A 28 -3.083 -15.559 9.382 1.00 31.00 H new ATOM 0 HA GLU A 28 -3.238 -14.965 12.247 1.00 73.02 H new ATOM 0 HB2 GLU A 28 -1.964 -17.270 10.703 1.00 0.04 H new ATOM 0 HB3 GLU A 28 -2.019 -17.150 12.450 1.00 0.04 H new ATOM 0 HG2 GLU A 28 -4.591 -17.025 12.195 1.00 50.32 H new ATOM 0 HG3 GLU A 28 -4.337 -17.538 10.539 1.00 50.32 H new ATOM 464 N LEU A 29 -1.009 -13.571 10.968 1.00 3.55 N ATOM 465 CA LEU A 29 0.262 -12.852 11.145 1.00 21.44 C ATOM 466 C LEU A 29 0.555 -12.633 12.640 1.00 33.31 C ATOM 467 O LEU A 29 1.620 -13.000 13.139 1.00 32.34 O ATOM 468 CB LEU A 29 0.224 -11.499 10.417 1.00 51.14 C ATOM 469 CG LEU A 29 0.096 -11.569 8.887 1.00 41.53 C ATOM 470 CD1 LEU A 29 0.022 -10.167 8.287 1.00 3.45 C ATOM 471 CD2 LEU A 29 1.257 -12.354 8.274 1.00 50.12 C ATOM 0 H LEU A 29 -1.684 -13.098 10.367 1.00 3.55 H new ATOM 0 HA LEU A 29 1.058 -13.460 10.715 1.00 21.44 H new ATOM 0 HB2 LEU A 29 -0.613 -10.921 10.807 1.00 51.14 H new ATOM 0 HB3 LEU A 29 1.133 -10.949 10.662 1.00 51.14 H new ATOM 0 HG LEU A 29 -0.830 -12.094 8.652 1.00 41.53 H new ATOM 0 HD11 LEU A 29 -0.068 -10.239 7.203 1.00 3.45 H new ATOM 0 HD12 LEU A 29 -0.846 -9.644 8.689 1.00 3.45 H new ATOM 0 HD13 LEU A 29 0.927 -9.615 8.540 1.00 3.45 H new ATOM 0 HD21 LEU A 29 1.141 -12.388 7.191 1.00 50.12 H new ATOM 0 HD22 LEU A 29 2.199 -11.865 8.523 1.00 50.12 H new ATOM 0 HD23 LEU A 29 1.259 -13.369 8.671 1.00 50.12 H new ATOM 483 N ASP A 30 -0.408 -12.034 13.345 1.00 42.45 N ATOM 484 CA ASP A 30 -0.346 -11.896 14.809 1.00 5.00 C ATOM 485 C ASP A 30 -1.521 -12.613 15.500 1.00 22.10 C ATOM 486 O ASP A 30 -1.610 -12.633 16.727 1.00 52.13 O ATOM 487 CB ASP A 30 -0.343 -10.414 15.205 1.00 54.13 C ATOM 488 CG ASP A 30 0.935 -9.706 14.797 1.00 41.32 C ATOM 489 OD1 ASP A 30 1.960 -9.886 15.483 1.00 10.41 O ATOM 490 OD2 ASP A 30 0.921 -8.962 13.791 1.00 30.34 O ATOM 0 H ASP A 30 -1.247 -11.633 12.925 1.00 42.45 H new ATOM 0 HA ASP A 30 0.580 -12.365 15.141 1.00 5.00 H new ATOM 0 HB2 ASP A 30 -1.194 -9.916 14.741 1.00 54.13 H new ATOM 0 HB3 ASP A 30 -0.473 -10.329 16.284 1.00 54.13 H new ATOM 495 N GLY A 31 -2.411 -13.215 14.711 1.00 44.23 N ATOM 496 CA GLY A 31 -3.666 -13.731 15.260 1.00 42.14 C ATOM 497 C GLY A 31 -4.596 -12.605 15.713 1.00 31.05 C ATOM 498 O GLY A 31 -5.525 -12.813 16.493 1.00 3.01 O ATOM 0 H GLY A 31 -2.291 -13.356 13.708 1.00 44.23 H new ATOM 0 HA2 GLY A 31 -4.170 -14.337 14.507 1.00 42.14 H new ATOM 0 HA3 GLY A 31 -3.451 -14.386 16.104 1.00 42.14 H new ATOM 502 N ASP A 32 -4.333 -11.412 15.190 1.00 44.30 N ATOM 503 CA ASP A 32 -5.041 -10.189 15.568 1.00 52.44 C ATOM 504 C ASP A 32 -6.512 -10.187 15.079 1.00 21.35 C ATOM 505 O ASP A 32 -6.795 -10.553 13.935 1.00 54.25 O ATOM 506 CB ASP A 32 -4.262 -9.000 14.988 1.00 53.44 C ATOM 507 CG ASP A 32 -4.912 -7.663 15.266 1.00 1.12 C ATOM 508 OD1 ASP A 32 -5.747 -7.233 14.456 1.00 73.24 O ATOM 509 OD2 ASP A 32 -4.582 -7.035 16.290 1.00 2.32 O ATOM 0 H ASP A 32 -3.613 -11.263 14.483 1.00 44.30 H new ATOM 0 HA ASP A 32 -5.089 -10.120 16.655 1.00 52.44 H new ATOM 0 HB2 ASP A 32 -3.254 -8.999 15.402 1.00 53.44 H new ATOM 0 HB3 ASP A 32 -4.163 -9.131 13.910 1.00 53.44 H new ATOM 514 N PRO A 33 -7.469 -9.771 15.942 1.00 55.32 N ATOM 515 CA PRO A 33 -8.904 -9.723 15.584 1.00 15.41 C ATOM 516 C PRO A 33 -9.231 -8.719 14.455 1.00 33.22 C ATOM 517 O PRO A 33 -10.098 -8.980 13.622 1.00 0.14 O ATOM 518 CB PRO A 33 -9.591 -9.311 16.898 1.00 12.03 C ATOM 519 CG PRO A 33 -8.523 -8.646 17.699 1.00 74.54 C ATOM 520 CD PRO A 33 -7.238 -9.340 17.335 1.00 53.42 C ATOM 0 HA PRO A 33 -9.242 -10.681 15.188 1.00 15.41 H new ATOM 0 HB2 PRO A 33 -10.425 -8.634 16.712 1.00 12.03 H new ATOM 0 HB3 PRO A 33 -9.995 -10.178 17.421 1.00 12.03 H new ATOM 0 HG2 PRO A 33 -8.470 -7.582 17.471 1.00 74.54 H new ATOM 0 HG3 PRO A 33 -8.725 -8.733 18.767 1.00 74.54 H new ATOM 0 HD2 PRO A 33 -6.382 -8.669 17.412 1.00 53.42 H new ATOM 0 HD3 PRO A 33 -7.039 -10.188 17.991 1.00 53.42 H new ATOM 528 N LYS A 34 -8.539 -7.579 14.417 1.00 41.43 N ATOM 529 CA LYS A 34 -8.759 -6.584 13.353 1.00 52.01 C ATOM 530 C LYS A 34 -8.126 -7.040 12.030 1.00 44.13 C ATOM 531 O LYS A 34 -8.478 -6.551 10.953 1.00 20.13 O ATOM 532 CB LYS A 34 -8.184 -5.224 13.754 1.00 20.53 C ATOM 533 CG LYS A 34 -8.900 -4.594 14.939 1.00 62.03 C ATOM 534 CD LYS A 34 -8.402 -3.183 15.221 1.00 1.34 C ATOM 535 CE LYS A 34 -6.917 -3.155 15.579 1.00 24.11 C ATOM 536 NZ LYS A 34 -6.459 -1.795 15.975 1.00 71.21 N ATOM 0 H LYS A 34 -7.828 -7.319 15.100 1.00 41.43 H new ATOM 0 HA LYS A 34 -9.836 -6.488 13.212 1.00 52.01 H new ATOM 0 HB2 LYS A 34 -7.128 -5.341 13.997 1.00 20.53 H new ATOM 0 HB3 LYS A 34 -8.242 -4.547 12.902 1.00 20.53 H new ATOM 0 HG2 LYS A 34 -9.972 -4.568 14.743 1.00 62.03 H new ATOM 0 HG3 LYS A 34 -8.753 -5.214 15.823 1.00 62.03 H new ATOM 0 HD2 LYS A 34 -8.575 -2.557 14.346 1.00 1.34 H new ATOM 0 HD3 LYS A 34 -8.979 -2.753 16.039 1.00 1.34 H new ATOM 0 HE2 LYS A 34 -6.729 -3.852 16.396 1.00 24.11 H new ATOM 0 HE3 LYS A 34 -6.333 -3.499 14.725 1.00 24.11 H new ATOM 0 HZ1 LYS A 34 -5.446 -1.824 16.209 1.00 71.21 H new ATOM 0 HZ2 LYS A 34 -6.613 -1.134 15.187 1.00 71.21 H new ATOM 0 HZ3 LYS A 34 -6.997 -1.476 16.806 1.00 71.21 H new ATOM 550 N ARG A 35 -7.192 -7.988 12.130 1.00 4.13 N ATOM 551 CA ARG A 35 -6.441 -8.492 10.975 1.00 50.11 C ATOM 552 C ARG A 35 -7.373 -9.016 9.871 1.00 70.54 C ATOM 553 O ARG A 35 -7.305 -8.565 8.725 1.00 65.21 O ATOM 554 CB ARG A 35 -5.485 -9.607 11.426 1.00 30.25 C ATOM 555 CG ARG A 35 -4.353 -9.905 10.450 1.00 31.40 C ATOM 556 CD ARG A 35 -3.408 -8.716 10.302 1.00 33.25 C ATOM 557 NE ARG A 35 -2.952 -8.205 11.598 1.00 44.55 N ATOM 558 CZ ARG A 35 -1.698 -8.135 11.967 1.00 5.13 C ATOM 559 NH1 ARG A 35 -0.755 -8.524 11.170 1.00 44.43 N ATOM 560 NH2 ARG A 35 -1.387 -7.663 13.128 1.00 60.25 N ATOM 0 H ARG A 35 -6.934 -8.429 13.013 1.00 4.13 H new ATOM 0 HA ARG A 35 -5.871 -7.661 10.559 1.00 50.11 H new ATOM 0 HB2 ARG A 35 -5.054 -9.331 12.388 1.00 30.25 H new ATOM 0 HB3 ARG A 35 -6.060 -10.519 11.584 1.00 30.25 H new ATOM 0 HG2 ARG A 35 -3.793 -10.774 10.796 1.00 31.40 H new ATOM 0 HG3 ARG A 35 -4.770 -10.162 9.476 1.00 31.40 H new ATOM 0 HD2 ARG A 35 -2.545 -9.013 9.706 1.00 33.25 H new ATOM 0 HD3 ARG A 35 -3.913 -7.919 9.757 1.00 33.25 H new ATOM 0 HE ARG A 35 -3.660 -7.882 12.257 1.00 44.55 H new ATOM 0 HH11 ARG A 35 -0.986 -8.889 10.246 1.00 44.43 H new ATOM 0 HH12 ARG A 35 0.219 -8.466 11.466 1.00 44.43 H new ATOM 0 HH21 ARG A 35 -2.120 -7.343 13.761 1.00 60.25 H new ATOM 0 HH22 ARG A 35 -0.409 -7.610 13.412 1.00 60.25 H new ATOM 574 N LYS A 36 -8.246 -9.968 10.217 1.00 1.53 N ATOM 575 CA LYS A 36 -9.163 -10.552 9.231 1.00 4.44 C ATOM 576 C LYS A 36 -10.235 -9.542 8.798 1.00 72.02 C ATOM 577 O LYS A 36 -10.721 -9.599 7.673 1.00 12.44 O ATOM 578 CB LYS A 36 -9.840 -11.836 9.755 1.00 11.04 C ATOM 579 CG LYS A 36 -10.890 -11.613 10.847 1.00 2.21 C ATOM 580 CD LYS A 36 -10.291 -11.623 12.249 1.00 4.44 C ATOM 581 CE LYS A 36 -9.735 -12.993 12.617 1.00 14.13 C ATOM 582 NZ LYS A 36 -10.752 -14.068 12.461 1.00 60.53 N ATOM 0 H LYS A 36 -8.337 -10.347 11.160 1.00 1.53 H new ATOM 0 HA LYS A 36 -8.555 -10.817 8.366 1.00 4.44 H new ATOM 0 HB2 LYS A 36 -10.312 -12.348 8.917 1.00 11.04 H new ATOM 0 HB3 LYS A 36 -9.070 -12.503 10.143 1.00 11.04 H new ATOM 0 HG2 LYS A 36 -11.389 -10.659 10.676 1.00 2.21 H new ATOM 0 HG3 LYS A 36 -11.652 -12.389 10.776 1.00 2.21 H new ATOM 0 HD2 LYS A 36 -9.496 -10.880 12.310 1.00 4.44 H new ATOM 0 HD3 LYS A 36 -11.054 -11.334 12.972 1.00 4.44 H new ATOM 0 HE2 LYS A 36 -8.873 -13.215 11.988 1.00 14.13 H new ATOM 0 HE3 LYS A 36 -9.381 -12.976 13.648 1.00 14.13 H new ATOM 0 HZ1 LYS A 36 -10.421 -14.931 12.937 1.00 60.53 H new ATOM 0 HZ2 LYS A 36 -11.650 -13.761 12.886 1.00 60.53 H new ATOM 0 HZ3 LYS A 36 -10.897 -14.265 11.450 1.00 60.53 H new ATOM 596 N GLU A 37 -10.599 -8.620 9.692 1.00 33.10 N ATOM 597 CA GLU A 37 -11.598 -7.592 9.373 1.00 65.41 C ATOM 598 C GLU A 37 -11.107 -6.686 8.238 1.00 52.35 C ATOM 599 O GLU A 37 -11.813 -6.464 7.253 1.00 3.15 O ATOM 600 CB GLU A 37 -11.920 -6.740 10.611 1.00 3.10 C ATOM 601 CG GLU A 37 -12.465 -7.537 11.793 1.00 14.51 C ATOM 602 CD GLU A 37 -12.911 -6.645 12.941 1.00 0.44 C ATOM 603 OE1 GLU A 37 -12.051 -6.179 13.715 1.00 70.42 O ATOM 604 OE2 GLU A 37 -14.130 -6.394 13.070 1.00 11.44 O ATOM 0 H GLU A 37 -10.221 -8.562 10.638 1.00 33.10 H new ATOM 0 HA GLU A 37 -12.505 -8.103 9.049 1.00 65.41 H new ATOM 0 HB2 GLU A 37 -11.016 -6.218 10.925 1.00 3.10 H new ATOM 0 HB3 GLU A 37 -12.648 -5.978 10.334 1.00 3.10 H new ATOM 0 HG2 GLU A 37 -13.307 -8.144 11.460 1.00 14.51 H new ATOM 0 HG3 GLU A 37 -11.697 -8.224 12.148 1.00 14.51 H new ATOM 611 N PHE A 38 -9.886 -6.172 8.383 1.00 23.41 N ATOM 612 CA PHE A 38 -9.270 -5.337 7.351 1.00 73.44 C ATOM 613 C PHE A 38 -9.171 -6.089 6.014 1.00 13.35 C ATOM 614 O PHE A 38 -9.568 -5.573 4.973 1.00 4.24 O ATOM 615 CB PHE A 38 -7.874 -4.880 7.801 1.00 74.31 C ATOM 616 CG PHE A 38 -7.151 -4.028 6.782 1.00 61.15 C ATOM 617 CD1 PHE A 38 -7.369 -2.660 6.723 1.00 61.31 C ATOM 618 CD2 PHE A 38 -6.254 -4.599 5.887 1.00 10.13 C ATOM 619 CE1 PHE A 38 -6.710 -1.880 5.795 1.00 53.44 C ATOM 620 CE2 PHE A 38 -5.595 -3.820 4.956 1.00 14.51 C ATOM 621 CZ PHE A 38 -5.823 -2.461 4.911 1.00 70.33 C ATOM 0 H PHE A 38 -9.303 -6.319 9.207 1.00 23.41 H new ATOM 0 HA PHE A 38 -9.904 -4.462 7.204 1.00 73.44 H new ATOM 0 HB2 PHE A 38 -7.968 -4.317 8.730 1.00 74.31 H new ATOM 0 HB3 PHE A 38 -7.268 -5.759 8.021 1.00 74.31 H new ATOM 0 HD1 PHE A 38 -8.062 -2.200 7.411 1.00 61.31 H new ATOM 0 HD2 PHE A 38 -6.070 -5.663 5.920 1.00 10.13 H new ATOM 0 HE1 PHE A 38 -6.888 -0.815 5.760 1.00 53.44 H new ATOM 0 HE2 PHE A 38 -4.902 -4.275 4.264 1.00 14.51 H new ATOM 0 HZ PHE A 38 -5.308 -1.851 4.184 1.00 70.33 H new ATOM 631 N LEU A 39 -8.643 -7.314 6.057 1.00 14.13 N ATOM 632 CA LEU A 39 -8.474 -8.128 4.847 1.00 53.25 C ATOM 633 C LEU A 39 -9.824 -8.461 4.187 1.00 24.53 C ATOM 634 O LEU A 39 -9.975 -8.345 2.973 1.00 72.21 O ATOM 635 CB LEU A 39 -7.717 -9.421 5.179 1.00 1.11 C ATOM 636 CG LEU A 39 -6.289 -9.224 5.716 1.00 12.21 C ATOM 637 CD1 LEU A 39 -5.649 -10.569 6.041 1.00 35.54 C ATOM 638 CD2 LEU A 39 -5.434 -8.442 4.716 1.00 32.32 C ATOM 0 H LEU A 39 -8.325 -7.765 6.915 1.00 14.13 H new ATOM 0 HA LEU A 39 -7.893 -7.541 4.135 1.00 53.25 H new ATOM 0 HB2 LEU A 39 -8.292 -9.980 5.917 1.00 1.11 H new ATOM 0 HB3 LEU A 39 -7.669 -10.036 4.280 1.00 1.11 H new ATOM 0 HG LEU A 39 -6.347 -8.642 6.636 1.00 12.21 H new ATOM 0 HD11 LEU A 39 -4.639 -10.410 6.419 1.00 35.54 H new ATOM 0 HD12 LEU A 39 -6.243 -11.081 6.797 1.00 35.54 H new ATOM 0 HD13 LEU A 39 -5.606 -11.179 5.139 1.00 35.54 H new ATOM 0 HD21 LEU A 39 -4.429 -8.315 5.118 1.00 32.32 H new ATOM 0 HD22 LEU A 39 -5.382 -8.990 3.775 1.00 32.32 H new ATOM 0 HD23 LEU A 39 -5.881 -7.463 4.542 1.00 32.32 H new ATOM 650 N ASP A 40 -10.800 -8.870 4.990 1.00 21.42 N ATOM 651 CA ASP A 40 -12.142 -9.187 4.491 1.00 1.12 C ATOM 652 C ASP A 40 -12.794 -7.961 3.828 1.00 62.34 C ATOM 653 O ASP A 40 -13.314 -8.040 2.711 1.00 72.15 O ATOM 654 CB ASP A 40 -13.011 -9.712 5.639 1.00 23.00 C ATOM 655 CG ASP A 40 -14.438 -10.008 5.212 1.00 63.24 C ATOM 656 OD1 ASP A 40 -14.640 -10.926 4.390 1.00 23.33 O ATOM 657 OD2 ASP A 40 -15.366 -9.328 5.703 1.00 3.44 O ATOM 0 H ASP A 40 -10.690 -8.992 5.997 1.00 21.42 H new ATOM 0 HA ASP A 40 -12.055 -9.962 3.730 1.00 1.12 H new ATOM 0 HB2 ASP A 40 -12.562 -10.620 6.042 1.00 23.00 H new ATOM 0 HB3 ASP A 40 -13.023 -8.977 6.444 1.00 23.00 H new ATOM 662 N ASP A 41 -12.750 -6.825 4.522 1.00 34.20 N ATOM 663 CA ASP A 41 -13.290 -5.573 3.989 1.00 44.32 C ATOM 664 C ASP A 41 -12.518 -5.135 2.728 1.00 43.35 C ATOM 665 O ASP A 41 -13.117 -4.691 1.750 1.00 12.30 O ATOM 666 CB ASP A 41 -13.234 -4.475 5.061 1.00 22.24 C ATOM 667 CG ASP A 41 -13.999 -3.226 4.656 1.00 34.10 C ATOM 668 OD1 ASP A 41 -15.246 -3.250 4.700 1.00 21.23 O ATOM 669 OD2 ASP A 41 -13.364 -2.217 4.289 1.00 44.43 O ATOM 0 H ASP A 41 -12.346 -6.745 5.455 1.00 34.20 H new ATOM 0 HA ASP A 41 -14.330 -5.738 3.708 1.00 44.32 H new ATOM 0 HB2 ASP A 41 -13.644 -4.862 5.994 1.00 22.24 H new ATOM 0 HB3 ASP A 41 -12.194 -4.213 5.254 1.00 22.24 H new ATOM 674 N LEU A 42 -11.192 -5.294 2.764 1.00 43.42 N ATOM 675 CA LEU A 42 -10.312 -4.928 1.641 1.00 52.33 C ATOM 676 C LEU A 42 -10.628 -5.737 0.371 1.00 63.12 C ATOM 677 O LEU A 42 -10.933 -5.171 -0.679 1.00 33.13 O ATOM 678 CB LEU A 42 -8.842 -5.152 2.036 1.00 1.03 C ATOM 679 CG LEU A 42 -7.805 -4.886 0.928 1.00 51.31 C ATOM 680 CD1 LEU A 42 -7.769 -3.408 0.550 1.00 32.40 C ATOM 681 CD2 LEU A 42 -6.425 -5.375 1.359 1.00 0.41 C ATOM 0 H LEU A 42 -10.696 -5.678 3.568 1.00 43.42 H new ATOM 0 HA LEU A 42 -10.487 -3.875 1.419 1.00 52.33 H new ATOM 0 HB2 LEU A 42 -8.611 -4.510 2.886 1.00 1.03 H new ATOM 0 HB3 LEU A 42 -8.729 -6.182 2.375 1.00 1.03 H new ATOM 0 HG LEU A 42 -8.105 -5.445 0.042 1.00 51.31 H new ATOM 0 HD11 LEU A 42 -7.028 -3.251 -0.234 1.00 32.40 H new ATOM 0 HD12 LEU A 42 -8.750 -3.101 0.189 1.00 32.40 H new ATOM 0 HD13 LEU A 42 -7.503 -2.815 1.425 1.00 32.40 H new ATOM 0 HD21 LEU A 42 -5.705 -5.179 0.564 1.00 0.41 H new ATOM 0 HD22 LEU A 42 -6.119 -4.850 2.264 1.00 0.41 H new ATOM 0 HD23 LEU A 42 -6.464 -6.446 1.557 1.00 0.41 H new ATOM 693 N PHE A 43 -10.548 -7.064 0.478 1.00 42.51 N ATOM 694 CA PHE A 43 -10.803 -7.958 -0.659 1.00 40.52 C ATOM 695 C PHE A 43 -12.170 -7.668 -1.298 1.00 71.31 C ATOM 696 O PHE A 43 -12.270 -7.477 -2.511 1.00 72.33 O ATOM 697 CB PHE A 43 -10.720 -9.430 -0.208 1.00 52.31 C ATOM 698 CG PHE A 43 -9.316 -9.922 0.082 1.00 3.31 C ATOM 699 CD1 PHE A 43 -8.366 -9.088 0.663 1.00 70.05 C ATOM 700 CD2 PHE A 43 -8.952 -11.228 -0.221 1.00 5.01 C ATOM 701 CE1 PHE A 43 -7.090 -9.547 0.933 1.00 24.52 C ATOM 702 CE2 PHE A 43 -7.676 -11.688 0.047 1.00 32.11 C ATOM 703 CZ PHE A 43 -6.745 -10.847 0.624 1.00 43.11 C ATOM 0 H PHE A 43 -10.308 -7.548 1.343 1.00 42.51 H new ATOM 0 HA PHE A 43 -10.037 -7.776 -1.412 1.00 40.52 H new ATOM 0 HB2 PHE A 43 -11.328 -9.557 0.688 1.00 52.31 H new ATOM 0 HB3 PHE A 43 -11.159 -10.059 -0.982 1.00 52.31 H new ATOM 0 HD1 PHE A 43 -8.629 -8.069 0.906 1.00 70.05 H new ATOM 0 HD2 PHE A 43 -9.675 -11.892 -0.671 1.00 5.01 H new ATOM 0 HE1 PHE A 43 -6.364 -8.888 1.386 1.00 24.52 H new ATOM 0 HE2 PHE A 43 -7.407 -12.706 -0.195 1.00 32.11 H new ATOM 0 HZ PHE A 43 -5.748 -11.206 0.833 1.00 43.11 H new ATOM 713 N SER A 44 -13.216 -7.618 -0.474 1.00 74.35 N ATOM 714 CA SER A 44 -14.567 -7.297 -0.956 1.00 12.32 C ATOM 715 C SER A 44 -14.639 -5.866 -1.526 1.00 50.21 C ATOM 716 O SER A 44 -15.334 -5.612 -2.511 1.00 5.23 O ATOM 717 CB SER A 44 -15.593 -7.469 0.176 1.00 61.51 C ATOM 718 OG SER A 44 -15.665 -8.824 0.607 1.00 22.04 O ATOM 0 H SER A 44 -13.158 -7.795 0.529 1.00 74.35 H new ATOM 0 HA SER A 44 -14.805 -7.991 -1.762 1.00 12.32 H new ATOM 0 HB2 SER A 44 -15.320 -6.832 1.017 1.00 61.51 H new ATOM 0 HB3 SER A 44 -16.574 -7.141 -0.167 1.00 61.51 H new ATOM 0 HG SER A 44 -15.025 -8.970 1.335 1.00 22.04 H new ATOM 724 N PHE A 45 -13.903 -4.943 -0.907 1.00 12.31 N ATOM 725 CA PHE A 45 -13.853 -3.541 -1.351 1.00 10.24 C ATOM 726 C PHE A 45 -13.321 -3.423 -2.788 1.00 14.41 C ATOM 727 O PHE A 45 -14.005 -2.917 -3.683 1.00 1.43 O ATOM 728 CB PHE A 45 -12.959 -2.738 -0.394 1.00 22.22 C ATOM 729 CG PHE A 45 -12.790 -1.280 -0.748 1.00 75.53 C ATOM 730 CD1 PHE A 45 -11.775 -0.866 -1.601 1.00 74.20 C ATOM 731 CD2 PHE A 45 -13.640 -0.322 -0.215 1.00 31.20 C ATOM 732 CE1 PHE A 45 -11.614 0.468 -1.915 1.00 33.33 C ATOM 733 CE2 PHE A 45 -13.480 1.014 -0.526 1.00 23.33 C ATOM 734 CZ PHE A 45 -12.468 1.409 -1.378 1.00 21.44 C ATOM 0 H PHE A 45 -13.327 -5.139 -0.089 1.00 12.31 H new ATOM 0 HA PHE A 45 -14.867 -3.140 -1.339 1.00 10.24 H new ATOM 0 HB2 PHE A 45 -13.376 -2.806 0.611 1.00 22.22 H new ATOM 0 HB3 PHE A 45 -11.975 -3.205 -0.363 1.00 22.22 H new ATOM 0 HD1 PHE A 45 -11.103 -1.598 -2.024 1.00 74.20 H new ATOM 0 HD2 PHE A 45 -14.435 -0.624 0.450 1.00 31.20 H new ATOM 0 HE1 PHE A 45 -10.821 0.775 -2.580 1.00 33.33 H new ATOM 0 HE2 PHE A 45 -14.147 1.750 -0.102 1.00 23.33 H new ATOM 0 HZ PHE A 45 -12.345 2.453 -1.624 1.00 21.44 H new ATOM 744 N MET A 46 -12.097 -3.899 -3.001 1.00 64.22 N ATOM 745 CA MET A 46 -11.451 -3.822 -4.316 1.00 24.45 C ATOM 746 C MET A 46 -12.178 -4.706 -5.353 1.00 42.22 C ATOM 747 O MET A 46 -12.257 -4.362 -6.533 1.00 73.03 O ATOM 748 CB MET A 46 -9.966 -4.209 -4.199 1.00 74.40 C ATOM 749 CG MET A 46 -9.725 -5.618 -3.668 1.00 34.12 C ATOM 750 SD MET A 46 -7.985 -5.955 -3.327 1.00 41.50 S ATOM 751 CE MET A 46 -7.236 -5.569 -4.910 1.00 63.14 C ATOM 0 H MET A 46 -11.528 -4.344 -2.280 1.00 64.22 H new ATOM 0 HA MET A 46 -11.514 -2.793 -4.669 1.00 24.45 H new ATOM 0 HB2 MET A 46 -9.501 -4.119 -5.180 1.00 74.40 H new ATOM 0 HB3 MET A 46 -9.467 -3.496 -3.543 1.00 74.40 H new ATOM 0 HG2 MET A 46 -10.303 -5.760 -2.755 1.00 34.12 H new ATOM 0 HG3 MET A 46 -10.094 -6.342 -4.394 1.00 34.12 H new ATOM 0 HE1 MET A 46 -6.156 -5.696 -4.842 1.00 63.14 H new ATOM 0 HE2 MET A 46 -7.633 -6.238 -5.673 1.00 63.14 H new ATOM 0 HE3 MET A 46 -7.464 -4.537 -5.178 1.00 63.14 H new ATOM 761 N GLN A 47 -12.732 -5.828 -4.898 1.00 30.42 N ATOM 762 CA GLN A 47 -13.484 -6.743 -5.769 1.00 53.43 C ATOM 763 C GLN A 47 -14.705 -6.058 -6.410 1.00 62.54 C ATOM 764 O GLN A 47 -14.873 -6.084 -7.630 1.00 75.22 O ATOM 765 CB GLN A 47 -13.937 -7.968 -4.962 1.00 42.14 C ATOM 766 CG GLN A 47 -14.823 -8.941 -5.734 1.00 41.31 C ATOM 767 CD GLN A 47 -15.282 -10.109 -4.881 1.00 11.50 C ATOM 768 OE1 GLN A 47 -15.426 -9.990 -3.669 1.00 42.54 O ATOM 769 NE2 GLN A 47 -15.527 -11.243 -5.503 1.00 61.40 N ATOM 0 H GLN A 47 -12.676 -6.131 -3.926 1.00 30.42 H new ATOM 0 HA GLN A 47 -12.821 -7.053 -6.576 1.00 53.43 H new ATOM 0 HB2 GLN A 47 -13.054 -8.502 -4.609 1.00 42.14 H new ATOM 0 HB3 GLN A 47 -14.477 -7.626 -4.079 1.00 42.14 H new ATOM 0 HG2 GLN A 47 -15.695 -8.409 -6.116 1.00 41.31 H new ATOM 0 HG3 GLN A 47 -14.276 -9.319 -6.598 1.00 41.31 H new ATOM 0 HE21 GLN A 47 -15.397 -11.309 -6.513 1.00 61.40 H new ATOM 0 HE22 GLN A 47 -15.847 -12.055 -4.975 1.00 61.40 H new ATOM 778 N LYS A 48 -15.545 -5.432 -5.582 1.00 61.41 N ATOM 779 CA LYS A 48 -16.803 -4.829 -6.053 1.00 21.04 C ATOM 780 C LYS A 48 -16.587 -3.675 -7.051 1.00 52.41 C ATOM 781 O LYS A 48 -17.480 -3.360 -7.837 1.00 63.21 O ATOM 782 CB LYS A 48 -17.641 -4.348 -4.861 1.00 24.25 C ATOM 783 CG LYS A 48 -18.121 -5.484 -3.961 1.00 74.41 C ATOM 784 CD LYS A 48 -18.956 -4.973 -2.788 1.00 73.34 C ATOM 785 CE LYS A 48 -19.445 -6.110 -1.894 1.00 51.24 C ATOM 786 NZ LYS A 48 -20.248 -5.606 -0.746 1.00 41.53 N ATOM 0 H LYS A 48 -15.380 -5.327 -4.581 1.00 61.41 H new ATOM 0 HA LYS A 48 -17.340 -5.611 -6.591 1.00 21.04 H new ATOM 0 HB2 LYS A 48 -17.050 -3.650 -4.269 1.00 24.25 H new ATOM 0 HB3 LYS A 48 -18.506 -3.798 -5.232 1.00 24.25 H new ATOM 0 HG2 LYS A 48 -18.713 -6.186 -4.548 1.00 74.41 H new ATOM 0 HG3 LYS A 48 -17.260 -6.033 -3.581 1.00 74.41 H new ATOM 0 HD2 LYS A 48 -18.362 -4.277 -2.196 1.00 73.34 H new ATOM 0 HD3 LYS A 48 -19.813 -4.417 -3.168 1.00 73.34 H new ATOM 0 HE2 LYS A 48 -20.047 -6.802 -2.483 1.00 51.24 H new ATOM 0 HE3 LYS A 48 -18.589 -6.672 -1.520 1.00 51.24 H new ATOM 0 HZ1 LYS A 48 -20.562 -6.408 -0.163 1.00 41.53 H new ATOM 0 HZ2 LYS A 48 -19.666 -4.966 -0.170 1.00 41.53 H new ATOM 0 HZ3 LYS A 48 -21.079 -5.092 -1.103 1.00 41.53 H new ATOM 800 N ARG A 49 -15.417 -3.034 -7.016 1.00 24.44 N ATOM 801 CA ARG A 49 -15.108 -1.962 -7.981 1.00 13.32 C ATOM 802 C ARG A 49 -14.417 -2.510 -9.246 1.00 64.05 C ATOM 803 O ARG A 49 -14.116 -1.758 -10.174 1.00 54.34 O ATOM 804 CB ARG A 49 -14.254 -0.855 -7.337 1.00 43.43 C ATOM 805 CG ARG A 49 -12.963 -1.344 -6.688 1.00 30.43 C ATOM 806 CD ARG A 49 -12.112 -0.183 -6.179 1.00 74.45 C ATOM 807 NE ARG A 49 -11.561 0.614 -7.274 1.00 45.24 N ATOM 808 CZ ARG A 49 -11.119 1.838 -7.150 1.00 24.04 C ATOM 809 NH1 ARG A 49 -11.268 2.495 -6.045 1.00 34.50 N ATOM 810 NH2 ARG A 49 -10.554 2.417 -8.154 1.00 14.32 N ATOM 0 H ARG A 49 -14.675 -3.230 -6.344 1.00 24.44 H new ATOM 0 HA ARG A 49 -16.060 -1.526 -8.284 1.00 13.32 H new ATOM 0 HB2 ARG A 49 -14.005 -0.117 -8.099 1.00 43.43 H new ATOM 0 HB3 ARG A 49 -14.853 -0.345 -6.583 1.00 43.43 H new ATOM 0 HG2 ARG A 49 -13.202 -2.011 -5.859 1.00 30.43 H new ATOM 0 HG3 ARG A 49 -12.390 -1.926 -7.410 1.00 30.43 H new ATOM 0 HD2 ARG A 49 -12.717 0.455 -5.535 1.00 74.45 H new ATOM 0 HD3 ARG A 49 -11.297 -0.571 -5.568 1.00 74.45 H new ATOM 0 HE ARG A 49 -11.519 0.185 -8.199 1.00 45.24 H new ATOM 0 HH11 ARG A 49 -11.737 2.059 -5.251 1.00 34.50 H new ATOM 0 HH12 ARG A 49 -10.916 3.449 -5.968 1.00 34.50 H new ATOM 0 HH21 ARG A 49 -10.454 1.920 -9.039 1.00 14.32 H new ATOM 0 HH22 ARG A 49 -10.207 3.372 -8.063 1.00 14.32 H new ATOM 824 N GLY A 50 -14.171 -3.821 -9.278 1.00 51.22 N ATOM 825 CA GLY A 50 -13.638 -4.461 -10.484 1.00 61.50 C ATOM 826 C GLY A 50 -12.149 -4.800 -10.428 1.00 13.40 C ATOM 827 O GLY A 50 -11.484 -4.851 -11.463 1.00 33.24 O ATOM 0 H GLY A 50 -14.329 -4.454 -8.494 1.00 51.22 H new ATOM 0 HA2 GLY A 50 -14.198 -5.378 -10.669 1.00 61.50 H new ATOM 0 HA3 GLY A 50 -13.814 -3.803 -11.335 1.00 61.50 H new ATOM 831 N THR A 51 -11.618 -5.040 -9.234 1.00 24.22 N ATOM 832 CA THR A 51 -10.218 -5.470 -9.086 1.00 1.02 C ATOM 833 C THR A 51 -10.022 -6.364 -7.849 1.00 63.02 C ATOM 834 O THR A 51 -9.653 -5.891 -6.779 1.00 21.43 O ATOM 835 CB THR A 51 -9.231 -4.268 -9.022 1.00 44.11 C ATOM 836 OG1 THR A 51 -7.919 -4.718 -8.639 1.00 52.43 O ATOM 837 CG2 THR A 51 -9.712 -3.190 -8.052 1.00 64.04 C ATOM 0 H THR A 51 -12.126 -4.947 -8.355 1.00 24.22 H new ATOM 0 HA THR A 51 -9.990 -6.050 -9.980 1.00 1.02 H new ATOM 0 HB THR A 51 -9.188 -3.828 -10.018 1.00 44.11 H new ATOM 0 HG1 THR A 51 -7.308 -3.953 -8.604 1.00 52.43 H new ATOM 0 HG21 THR A 51 -8.996 -2.369 -8.036 1.00 64.04 H new ATOM 0 HG22 THR A 51 -10.684 -2.817 -8.375 1.00 64.04 H new ATOM 0 HG23 THR A 51 -9.800 -3.614 -7.052 1.00 64.04 H new ATOM 845 N PRO A 52 -10.295 -7.678 -7.976 1.00 63.40 N ATOM 846 CA PRO A 52 -10.112 -8.637 -6.875 1.00 62.23 C ATOM 847 C PRO A 52 -8.653 -9.112 -6.728 1.00 41.04 C ATOM 848 O PRO A 52 -7.800 -8.816 -7.566 1.00 61.31 O ATOM 849 CB PRO A 52 -11.017 -9.797 -7.297 1.00 55.22 C ATOM 850 CG PRO A 52 -10.955 -9.787 -8.789 1.00 42.43 C ATOM 851 CD PRO A 52 -10.816 -8.336 -9.195 1.00 62.44 C ATOM 0 HA PRO A 52 -10.353 -8.204 -5.904 1.00 62.23 H new ATOM 0 HB2 PRO A 52 -10.665 -10.745 -6.890 1.00 55.22 H new ATOM 0 HB3 PRO A 52 -12.037 -9.656 -6.940 1.00 55.22 H new ATOM 0 HG2 PRO A 52 -10.110 -10.374 -9.148 1.00 42.43 H new ATOM 0 HG3 PRO A 52 -11.855 -10.227 -9.219 1.00 42.43 H new ATOM 0 HD2 PRO A 52 -10.132 -8.219 -10.036 1.00 62.44 H new ATOM 0 HD3 PRO A 52 -11.773 -7.912 -9.501 1.00 62.44 H new ATOM 859 N VAL A 53 -8.373 -9.856 -5.660 1.00 61.32 N ATOM 860 CA VAL A 53 -7.027 -10.390 -5.419 1.00 44.22 C ATOM 861 C VAL A 53 -6.778 -11.674 -6.233 1.00 54.21 C ATOM 862 O VAL A 53 -7.294 -12.742 -5.900 1.00 74.22 O ATOM 863 CB VAL A 53 -6.803 -10.683 -3.911 1.00 70.51 C ATOM 864 CG1 VAL A 53 -5.385 -11.200 -3.659 1.00 34.44 C ATOM 865 CG2 VAL A 53 -7.083 -9.432 -3.077 1.00 41.54 C ATOM 0 H VAL A 53 -9.057 -10.105 -4.946 1.00 61.32 H new ATOM 0 HA VAL A 53 -6.319 -9.627 -5.742 1.00 44.22 H new ATOM 0 HB VAL A 53 -7.501 -11.462 -3.606 1.00 70.51 H new ATOM 0 HG11 VAL A 53 -5.253 -11.398 -2.595 1.00 34.44 H new ATOM 0 HG12 VAL A 53 -5.228 -12.121 -4.221 1.00 34.44 H new ATOM 0 HG13 VAL A 53 -4.662 -10.451 -3.981 1.00 34.44 H new ATOM 0 HG21 VAL A 53 -6.921 -9.654 -2.022 1.00 41.54 H new ATOM 0 HG22 VAL A 53 -6.412 -8.631 -3.386 1.00 41.54 H new ATOM 0 HG23 VAL A 53 -8.116 -9.118 -3.228 1.00 41.54 H new ATOM 875 N ASN A 54 -5.997 -11.558 -7.310 1.00 52.31 N ATOM 876 CA ASN A 54 -5.667 -12.711 -8.161 1.00 4.04 C ATOM 877 C ASN A 54 -4.543 -13.565 -7.549 1.00 4.11 C ATOM 878 O ASN A 54 -4.737 -14.740 -7.244 1.00 52.34 O ATOM 879 CB ASN A 54 -5.255 -12.241 -9.561 1.00 4.31 C ATOM 880 CG ASN A 54 -6.373 -11.520 -10.291 1.00 5.02 C ATOM 881 OD1 ASN A 54 -7.208 -12.141 -10.939 1.00 33.00 O ATOM 882 ND2 ASN A 54 -6.390 -10.205 -10.210 1.00 21.12 N ATOM 0 H ASN A 54 -5.580 -10.679 -7.616 1.00 52.31 H new ATOM 0 HA ASN A 54 -6.562 -13.329 -8.234 1.00 4.04 H new ATOM 0 HB2 ASN A 54 -4.394 -11.578 -9.478 1.00 4.31 H new ATOM 0 HB3 ASN A 54 -4.938 -13.102 -10.150 1.00 4.31 H new ATOM 0 HD21 ASN A 54 -7.113 -9.673 -10.695 1.00 21.12 H new ATOM 0 HD22 ASN A 54 -5.680 -9.719 -9.662 1.00 21.12 H new ATOM 889 N ARG A 55 -3.365 -12.963 -7.380 1.00 51.01 N ATOM 890 CA ARG A 55 -2.206 -13.659 -6.801 1.00 22.41 C ATOM 891 C ARG A 55 -1.374 -12.713 -5.916 1.00 2.12 C ATOM 892 O ARG A 55 -1.014 -11.612 -6.335 1.00 3.44 O ATOM 893 CB ARG A 55 -1.333 -14.271 -7.911 1.00 42.41 C ATOM 894 CG ARG A 55 -1.006 -13.308 -9.049 1.00 34.44 C ATOM 895 CD ARG A 55 -0.115 -13.952 -10.106 1.00 43.34 C ATOM 896 NE ARG A 55 0.049 -13.094 -11.280 1.00 61.40 N ATOM 897 CZ ARG A 55 1.170 -12.526 -11.639 1.00 23.12 C ATOM 898 NH1 ARG A 55 2.251 -12.675 -10.938 1.00 32.24 N ATOM 899 NH2 ARG A 55 1.202 -11.801 -12.704 1.00 22.30 N ATOM 0 H ARG A 55 -3.184 -11.992 -7.635 1.00 51.01 H new ATOM 0 HA ARG A 55 -2.579 -14.465 -6.170 1.00 22.41 H new ATOM 0 HB2 ARG A 55 -0.401 -14.626 -7.471 1.00 42.41 H new ATOM 0 HB3 ARG A 55 -1.844 -15.142 -8.322 1.00 42.41 H new ATOM 0 HG2 ARG A 55 -1.932 -12.968 -9.514 1.00 34.44 H new ATOM 0 HG3 ARG A 55 -0.510 -12.426 -8.645 1.00 34.44 H new ATOM 0 HD2 ARG A 55 0.863 -14.167 -9.674 1.00 43.34 H new ATOM 0 HD3 ARG A 55 -0.545 -14.906 -10.411 1.00 43.34 H new ATOM 0 HE ARG A 55 -0.772 -12.927 -11.861 1.00 61.40 H new ATOM 0 HH11 ARG A 55 2.235 -13.243 -10.091 1.00 32.24 H new ATOM 0 HH12 ARG A 55 3.117 -12.224 -11.234 1.00 32.24 H new ATOM 0 HH21 ARG A 55 0.356 -11.674 -13.260 1.00 22.30 H new ATOM 0 HH22 ARG A 55 2.073 -11.354 -12.991 1.00 22.30 H new ATOM 913 N ILE A 56 -1.065 -13.160 -4.699 1.00 52.12 N ATOM 914 CA ILE A 56 -0.380 -12.327 -3.699 1.00 21.14 C ATOM 915 C ILE A 56 1.128 -12.170 -3.997 1.00 44.22 C ATOM 916 O ILE A 56 1.822 -13.150 -4.276 1.00 31.32 O ATOM 917 CB ILE A 56 -0.567 -12.927 -2.278 1.00 30.43 C ATOM 918 CG1 ILE A 56 -2.066 -13.066 -1.957 1.00 34.31 C ATOM 919 CG2 ILE A 56 0.132 -12.069 -1.222 1.00 64.45 C ATOM 920 CD1 ILE A 56 -2.357 -13.698 -0.611 1.00 63.42 C ATOM 0 H ILE A 56 -1.279 -14.103 -4.375 1.00 52.12 H new ATOM 0 HA ILE A 56 -0.834 -11.337 -3.748 1.00 21.14 H new ATOM 0 HB ILE A 56 -0.109 -13.916 -2.260 1.00 30.43 H new ATOM 0 HG12 ILE A 56 -2.526 -12.078 -1.989 1.00 34.31 H new ATOM 0 HG13 ILE A 56 -2.539 -13.664 -2.736 1.00 34.31 H new ATOM 0 HG21 ILE A 56 -0.015 -12.512 -0.237 1.00 64.45 H new ATOM 0 HG22 ILE A 56 1.198 -12.019 -1.442 1.00 64.45 H new ATOM 0 HG23 ILE A 56 -0.288 -11.063 -1.234 1.00 64.45 H new ATOM 0 HD11 ILE A 56 -3.435 -13.759 -0.463 1.00 63.42 H new ATOM 0 HD12 ILE A 56 -1.929 -14.700 -0.579 1.00 63.42 H new ATOM 0 HD13 ILE A 56 -1.916 -13.090 0.179 1.00 63.42 H new ATOM 932 N PRO A 57 1.652 -10.923 -3.947 1.00 23.05 N ATOM 933 CA PRO A 57 3.084 -10.651 -4.183 1.00 35.13 C ATOM 934 C PRO A 57 4.010 -11.224 -3.087 1.00 52.24 C ATOM 935 O PRO A 57 3.792 -11.019 -1.890 1.00 24.25 O ATOM 936 CB PRO A 57 3.154 -9.114 -4.207 1.00 74.13 C ATOM 937 CG PRO A 57 1.969 -8.667 -3.419 1.00 53.33 C ATOM 938 CD PRO A 57 0.894 -9.685 -3.683 1.00 55.14 C ATOM 0 HA PRO A 57 3.433 -11.127 -5.099 1.00 35.13 H new ATOM 0 HB2 PRO A 57 4.082 -8.753 -3.764 1.00 74.13 H new ATOM 0 HB3 PRO A 57 3.118 -8.732 -5.227 1.00 74.13 H new ATOM 0 HG2 PRO A 57 2.204 -8.613 -2.356 1.00 53.33 H new ATOM 0 HG3 PRO A 57 1.648 -7.671 -3.726 1.00 53.33 H new ATOM 0 HD2 PRO A 57 0.228 -9.797 -2.828 1.00 55.14 H new ATOM 0 HD3 PRO A 57 0.275 -9.404 -4.535 1.00 55.14 H new ATOM 946 N ILE A 58 5.051 -11.941 -3.517 1.00 23.24 N ATOM 947 CA ILE A 58 6.034 -12.529 -2.599 1.00 73.12 C ATOM 948 C ILE A 58 7.337 -11.705 -2.583 1.00 53.13 C ATOM 949 O ILE A 58 7.946 -11.468 -3.628 1.00 22.22 O ATOM 950 CB ILE A 58 6.359 -13.994 -3.004 1.00 2.13 C ATOM 951 CG1 ILE A 58 5.076 -14.846 -3.019 1.00 14.13 C ATOM 952 CG2 ILE A 58 7.405 -14.603 -2.068 1.00 51.11 C ATOM 953 CD1 ILE A 58 4.372 -14.931 -1.677 1.00 25.23 C ATOM 0 H ILE A 58 5.237 -12.130 -4.502 1.00 23.24 H new ATOM 0 HA ILE A 58 5.596 -12.520 -1.601 1.00 73.12 H new ATOM 0 HB ILE A 58 6.777 -13.984 -4.010 1.00 2.13 H new ATOM 0 HG12 ILE A 58 4.386 -14.431 -3.753 1.00 14.13 H new ATOM 0 HG13 ILE A 58 5.326 -15.854 -3.350 1.00 14.13 H new ATOM 0 HG21 ILE A 58 7.614 -15.628 -2.374 1.00 51.11 H new ATOM 0 HG22 ILE A 58 8.322 -14.016 -2.116 1.00 51.11 H new ATOM 0 HG23 ILE A 58 7.025 -14.599 -1.046 1.00 51.11 H new ATOM 0 HD11 ILE A 58 3.479 -15.548 -1.773 1.00 25.23 H new ATOM 0 HD12 ILE A 58 5.043 -15.375 -0.942 1.00 25.23 H new ATOM 0 HD13 ILE A 58 4.088 -13.930 -1.351 1.00 25.23 H new ATOM 965 N MET A 59 7.761 -11.281 -1.394 1.00 11.25 N ATOM 966 CA MET A 59 8.981 -10.469 -1.237 1.00 72.11 C ATOM 967 C MET A 59 9.904 -11.065 -0.160 1.00 32.22 C ATOM 968 O MET A 59 9.431 -11.537 0.871 1.00 45.40 O ATOM 969 CB MET A 59 8.610 -9.025 -0.859 1.00 51.24 C ATOM 970 CG MET A 59 9.816 -8.104 -0.691 1.00 4.44 C ATOM 971 SD MET A 59 10.676 -7.789 -2.246 1.00 53.44 S ATOM 972 CE MET A 59 9.530 -6.677 -3.055 1.00 24.41 C ATOM 0 H MET A 59 7.280 -11.484 -0.518 1.00 11.25 H new ATOM 0 HA MET A 59 9.513 -10.470 -2.188 1.00 72.11 H new ATOM 0 HB2 MET A 59 7.955 -8.615 -1.628 1.00 51.24 H new ATOM 0 HB3 MET A 59 8.041 -9.037 0.071 1.00 51.24 H new ATOM 0 HG2 MET A 59 9.487 -7.156 -0.264 1.00 4.44 H new ATOM 0 HG3 MET A 59 10.512 -8.550 0.020 1.00 4.44 H new ATOM 0 HE1 MET A 59 9.211 -7.110 -4.003 1.00 24.41 H new ATOM 0 HE2 MET A 59 8.661 -6.522 -2.416 1.00 24.41 H new ATOM 0 HE3 MET A 59 10.020 -5.721 -3.239 1.00 24.41 H new ATOM 982 N ALA A 60 11.218 -11.044 -0.407 1.00 1.42 N ATOM 983 CA ALA A 60 12.206 -11.536 0.571 1.00 72.31 C ATOM 984 C ALA A 60 11.985 -13.022 0.921 1.00 70.24 C ATOM 985 O ALA A 60 12.317 -13.473 2.023 1.00 0.31 O ATOM 986 CB ALA A 60 12.167 -10.670 1.829 1.00 12.11 C ATOM 0 H ALA A 60 11.626 -10.693 -1.273 1.00 1.42 H new ATOM 0 HA ALA A 60 13.193 -11.462 0.115 1.00 72.31 H new ATOM 0 HB1 ALA A 60 12.899 -11.039 2.547 1.00 12.11 H new ATOM 0 HB2 ALA A 60 12.403 -9.638 1.568 1.00 12.11 H new ATOM 0 HB3 ALA A 60 11.171 -10.714 2.270 1.00 12.11 H new ATOM 992 N LYS A 61 11.443 -13.775 -0.044 1.00 35.01 N ATOM 993 CA LYS A 61 11.130 -15.209 0.119 1.00 2.43 C ATOM 994 C LYS A 61 9.966 -15.445 1.104 1.00 24.33 C ATOM 995 O LYS A 61 9.707 -16.579 1.517 1.00 2.23 O ATOM 996 CB LYS A 61 12.381 -16.002 0.554 1.00 72.54 C ATOM 997 CG LYS A 61 13.579 -15.832 -0.382 1.00 51.33 C ATOM 998 CD LYS A 61 13.279 -16.325 -1.797 1.00 63.43 C ATOM 999 CE LYS A 61 13.133 -17.843 -1.855 1.00 52.34 C ATOM 1000 NZ LYS A 61 14.397 -18.534 -1.482 1.00 32.54 N ATOM 0 H LYS A 61 11.206 -13.409 -0.966 1.00 35.01 H new ATOM 0 HA LYS A 61 10.808 -15.575 -0.856 1.00 2.43 H new ATOM 0 HB2 LYS A 61 12.668 -15.687 1.557 1.00 72.54 H new ATOM 0 HB3 LYS A 61 12.126 -17.060 0.613 1.00 72.54 H new ATOM 0 HG2 LYS A 61 13.864 -14.780 -0.418 1.00 51.33 H new ATOM 0 HG3 LYS A 61 14.432 -16.380 0.019 1.00 51.33 H new ATOM 0 HD2 LYS A 61 12.362 -15.859 -2.156 1.00 63.43 H new ATOM 0 HD3 LYS A 61 14.080 -16.012 -2.467 1.00 63.43 H new ATOM 0 HE2 LYS A 61 12.335 -18.157 -1.183 1.00 52.34 H new ATOM 0 HE3 LYS A 61 12.839 -18.142 -2.861 1.00 52.34 H new ATOM 0 HZ1 LYS A 61 14.353 -19.527 -1.787 1.00 32.54 H new ATOM 0 HZ2 LYS A 61 15.200 -18.064 -1.948 1.00 32.54 H new ATOM 0 HZ3 LYS A 61 14.523 -18.494 -0.450 1.00 32.54 H new ATOM 1014 N GLN A 62 9.263 -14.373 1.469 1.00 13.42 N ATOM 1015 CA GLN A 62 8.058 -14.474 2.307 1.00 45.41 C ATOM 1016 C GLN A 62 6.880 -13.736 1.656 1.00 4.20 C ATOM 1017 O GLN A 62 7.036 -13.075 0.628 1.00 33.50 O ATOM 1018 CB GLN A 62 8.305 -13.892 3.712 1.00 24.42 C ATOM 1019 CG GLN A 62 8.610 -12.394 3.718 1.00 50.34 C ATOM 1020 CD GLN A 62 8.419 -11.746 5.083 1.00 74.14 C ATOM 1021 OE1 GLN A 62 9.335 -11.689 5.899 1.00 35.41 O ATOM 1022 NE2 GLN A 62 7.227 -11.237 5.332 1.00 62.22 N ATOM 0 H GLN A 62 9.505 -13.420 1.199 1.00 13.42 H new ATOM 0 HA GLN A 62 7.816 -15.533 2.400 1.00 45.41 H new ATOM 0 HB2 GLN A 62 7.426 -14.076 4.330 1.00 24.42 H new ATOM 0 HB3 GLN A 62 9.137 -14.424 4.174 1.00 24.42 H new ATOM 0 HG2 GLN A 62 9.638 -12.238 3.390 1.00 50.34 H new ATOM 0 HG3 GLN A 62 7.965 -11.896 2.994 1.00 50.34 H new ATOM 0 HE21 GLN A 62 6.488 -11.302 4.632 1.00 62.22 H new ATOM 0 HE22 GLN A 62 7.044 -10.779 6.225 1.00 62.22 H new ATOM 1031 N VAL A 63 5.704 -13.845 2.259 1.00 54.23 N ATOM 1032 CA VAL A 63 4.535 -13.103 1.787 1.00 11.44 C ATOM 1033 C VAL A 63 4.622 -11.624 2.200 1.00 23.43 C ATOM 1034 O VAL A 63 5.116 -11.300 3.280 1.00 40.44 O ATOM 1035 CB VAL A 63 3.214 -13.715 2.326 1.00 11.12 C ATOM 1036 CG1 VAL A 63 3.191 -13.707 3.856 1.00 53.21 C ATOM 1037 CG2 VAL A 63 2.001 -12.977 1.755 1.00 40.52 C ATOM 0 H VAL A 63 5.531 -14.436 3.072 1.00 54.23 H new ATOM 0 HA VAL A 63 4.529 -13.173 0.699 1.00 11.44 H new ATOM 0 HB VAL A 63 3.163 -14.753 1.997 1.00 11.12 H new ATOM 0 HG11 VAL A 63 2.255 -14.141 4.208 1.00 53.21 H new ATOM 0 HG12 VAL A 63 4.028 -14.293 4.236 1.00 53.21 H new ATOM 0 HG13 VAL A 63 3.273 -12.681 4.216 1.00 53.21 H new ATOM 0 HG21 VAL A 63 1.087 -13.423 2.146 1.00 40.52 H new ATOM 0 HG22 VAL A 63 2.045 -11.927 2.044 1.00 40.52 H new ATOM 0 HG23 VAL A 63 2.006 -13.055 0.668 1.00 40.52 H new ATOM 1047 N LEU A 64 4.167 -10.730 1.325 1.00 32.32 N ATOM 1048 CA LEU A 64 4.141 -9.301 1.634 1.00 42.31 C ATOM 1049 C LEU A 64 2.984 -8.973 2.595 1.00 10.43 C ATOM 1050 O LEU A 64 1.813 -9.028 2.211 1.00 31.30 O ATOM 1051 CB LEU A 64 4.011 -8.478 0.343 1.00 35.41 C ATOM 1052 CG LEU A 64 4.043 -6.951 0.526 1.00 20.00 C ATOM 1053 CD1 LEU A 64 5.361 -6.508 1.161 1.00 33.32 C ATOM 1054 CD2 LEU A 64 3.825 -6.248 -0.812 1.00 1.13 C ATOM 0 H LEU A 64 3.812 -10.968 0.399 1.00 32.32 H new ATOM 0 HA LEU A 64 5.079 -9.039 2.124 1.00 42.31 H new ATOM 0 HB2 LEU A 64 4.818 -8.763 -0.332 1.00 35.41 H new ATOM 0 HB3 LEU A 64 3.076 -8.748 -0.147 1.00 35.41 H new ATOM 0 HG LEU A 64 3.233 -6.670 1.198 1.00 20.00 H new ATOM 0 HD11 LEU A 64 5.361 -5.425 1.281 1.00 33.32 H new ATOM 0 HD12 LEU A 64 5.472 -6.981 2.137 1.00 33.32 H new ATOM 0 HD13 LEU A 64 6.191 -6.802 0.519 1.00 33.32 H new ATOM 0 HD21 LEU A 64 3.851 -5.168 -0.664 1.00 1.13 H new ATOM 0 HD22 LEU A 64 4.612 -6.538 -1.508 1.00 1.13 H new ATOM 0 HD23 LEU A 64 2.856 -6.535 -1.220 1.00 1.13 H new ATOM 1066 N ASP A 65 3.319 -8.656 3.848 1.00 64.22 N ATOM 1067 CA ASP A 65 2.318 -8.299 4.860 1.00 51.31 C ATOM 1068 C ASP A 65 1.510 -7.055 4.439 1.00 32.34 C ATOM 1069 O ASP A 65 1.820 -5.937 4.849 1.00 33.42 O ATOM 1070 CB ASP A 65 3.003 -8.032 6.208 1.00 32.35 C ATOM 1071 CG ASP A 65 3.925 -9.160 6.636 1.00 65.32 C ATOM 1072 OD1 ASP A 65 5.044 -9.252 6.092 1.00 42.43 O ATOM 1073 OD2 ASP A 65 3.544 -9.941 7.534 1.00 43.14 O ATOM 0 H ASP A 65 4.280 -8.639 4.189 1.00 64.22 H new ATOM 0 HA ASP A 65 1.630 -9.139 4.956 1.00 51.31 H new ATOM 0 HB2 ASP A 65 3.576 -7.107 6.142 1.00 32.35 H new ATOM 0 HB3 ASP A 65 2.242 -7.882 6.973 1.00 32.35 H new ATOM 1078 N LEU A 66 0.486 -7.257 3.607 1.00 24.21 N ATOM 1079 CA LEU A 66 -0.348 -6.150 3.105 1.00 3.24 C ATOM 1080 C LEU A 66 -0.936 -5.294 4.241 1.00 21.21 C ATOM 1081 O LEU A 66 -0.946 -4.065 4.159 1.00 0.31 O ATOM 1082 CB LEU A 66 -1.477 -6.691 2.216 1.00 51.20 C ATOM 1083 CG LEU A 66 -1.019 -7.430 0.945 1.00 11.44 C ATOM 1084 CD1 LEU A 66 -2.222 -7.934 0.151 1.00 35.44 C ATOM 1085 CD2 LEU A 66 -0.137 -6.528 0.079 1.00 45.40 C ATOM 0 H LEU A 66 0.210 -8.177 3.263 1.00 24.21 H new ATOM 0 HA LEU A 66 0.303 -5.504 2.515 1.00 3.24 H new ATOM 0 HB2 LEU A 66 -2.091 -7.369 2.809 1.00 51.20 H new ATOM 0 HB3 LEU A 66 -2.116 -5.858 1.922 1.00 51.20 H new ATOM 0 HG LEU A 66 -0.426 -8.292 1.249 1.00 11.44 H new ATOM 0 HD11 LEU A 66 -1.876 -8.453 -0.743 1.00 35.44 H new ATOM 0 HD12 LEU A 66 -2.803 -8.620 0.767 1.00 35.44 H new ATOM 0 HD13 LEU A 66 -2.847 -7.089 -0.139 1.00 35.44 H new ATOM 0 HD21 LEU A 66 0.174 -7.072 -0.813 1.00 45.40 H new ATOM 0 HD22 LEU A 66 -0.700 -5.642 -0.214 1.00 45.40 H new ATOM 0 HD23 LEU A 66 0.744 -6.227 0.646 1.00 45.40 H new ATOM 1097 N PHE A 67 -1.415 -5.943 5.301 1.00 64.32 N ATOM 1098 CA PHE A 67 -1.983 -5.228 6.454 1.00 63.11 C ATOM 1099 C PHE A 67 -0.967 -4.243 7.060 1.00 51.13 C ATOM 1100 O PHE A 67 -1.267 -3.065 7.263 1.00 62.02 O ATOM 1101 CB PHE A 67 -2.438 -6.232 7.526 1.00 43.12 C ATOM 1102 CG PHE A 67 -3.028 -5.590 8.760 1.00 74.43 C ATOM 1103 CD1 PHE A 67 -4.383 -5.301 8.828 1.00 53.34 C ATOM 1104 CD2 PHE A 67 -2.230 -5.279 9.854 1.00 24.52 C ATOM 1105 CE1 PHE A 67 -4.929 -4.713 9.953 1.00 33.04 C ATOM 1106 CE2 PHE A 67 -2.772 -4.691 10.981 1.00 1.11 C ATOM 1107 CZ PHE A 67 -4.122 -4.409 11.031 1.00 74.52 C ATOM 0 H PHE A 67 -1.423 -6.959 5.390 1.00 64.32 H new ATOM 0 HA PHE A 67 -2.842 -4.656 6.103 1.00 63.11 H new ATOM 0 HB2 PHE A 67 -3.178 -6.903 7.090 1.00 43.12 H new ATOM 0 HB3 PHE A 67 -1.586 -6.845 7.820 1.00 43.12 H new ATOM 0 HD1 PHE A 67 -5.021 -5.539 7.989 1.00 53.34 H new ATOM 0 HD2 PHE A 67 -1.173 -5.499 9.823 1.00 24.52 H new ATOM 0 HE1 PHE A 67 -5.985 -4.492 9.989 1.00 33.04 H new ATOM 0 HE2 PHE A 67 -2.139 -4.452 11.823 1.00 1.11 H new ATOM 0 HZ PHE A 67 -4.547 -3.951 11.912 1.00 74.52 H new ATOM 1117 N MET A 68 0.241 -4.734 7.329 1.00 51.33 N ATOM 1118 CA MET A 68 1.295 -3.907 7.927 1.00 12.34 C ATOM 1119 C MET A 68 1.817 -2.872 6.921 1.00 2.33 C ATOM 1120 O MET A 68 2.130 -1.739 7.283 1.00 4.33 O ATOM 1121 CB MET A 68 2.442 -4.795 8.427 1.00 41.13 C ATOM 1122 CG MET A 68 1.999 -5.862 9.420 1.00 32.22 C ATOM 1123 SD MET A 68 1.159 -5.171 10.857 1.00 54.21 S ATOM 1124 CE MET A 68 2.447 -4.135 11.548 1.00 24.23 C ATOM 0 H MET A 68 0.517 -5.698 7.144 1.00 51.33 H new ATOM 0 HA MET A 68 0.870 -3.369 8.775 1.00 12.34 H new ATOM 0 HB2 MET A 68 2.914 -5.280 7.572 1.00 41.13 H new ATOM 0 HB3 MET A 68 3.199 -4.166 8.896 1.00 41.13 H new ATOM 0 HG2 MET A 68 1.334 -6.565 8.919 1.00 32.22 H new ATOM 0 HG3 MET A 68 2.870 -6.428 9.751 1.00 32.22 H new ATOM 0 HE1 MET A 68 2.181 -3.855 12.567 1.00 24.23 H new ATOM 0 HE2 MET A 68 3.389 -4.683 11.557 1.00 24.23 H new ATOM 0 HE3 MET A 68 2.556 -3.236 10.941 1.00 24.23 H new ATOM 1134 N LEU A 69 1.895 -3.277 5.655 1.00 62.51 N ATOM 1135 CA LEU A 69 2.286 -2.377 4.564 1.00 43.33 C ATOM 1136 C LEU A 69 1.401 -1.118 4.560 1.00 23.14 C ATOM 1137 O LEU A 69 1.894 0.010 4.503 1.00 33.20 O ATOM 1138 CB LEU A 69 2.162 -3.112 3.219 1.00 15.45 C ATOM 1139 CG LEU A 69 2.768 -2.386 2.008 1.00 4.21 C ATOM 1140 CD1 LEU A 69 4.284 -2.293 2.144 1.00 65.40 C ATOM 1141 CD2 LEU A 69 2.381 -3.086 0.707 1.00 50.34 C ATOM 0 H LEU A 69 1.691 -4.230 5.355 1.00 62.51 H new ATOM 0 HA LEU A 69 3.321 -2.070 4.714 1.00 43.33 H new ATOM 0 HB2 LEU A 69 2.641 -4.087 3.313 1.00 15.45 H new ATOM 0 HB3 LEU A 69 1.106 -3.293 3.020 1.00 15.45 H new ATOM 0 HG LEU A 69 2.365 -1.374 1.978 1.00 4.21 H new ATOM 0 HD11 LEU A 69 4.696 -1.776 1.277 1.00 65.40 H new ATOM 0 HD12 LEU A 69 4.535 -1.740 3.049 1.00 65.40 H new ATOM 0 HD13 LEU A 69 4.706 -3.296 2.202 1.00 65.40 H new ATOM 0 HD21 LEU A 69 2.821 -2.555 -0.137 1.00 50.34 H new ATOM 0 HD22 LEU A 69 2.750 -4.112 0.722 1.00 50.34 H new ATOM 0 HD23 LEU A 69 1.296 -3.092 0.606 1.00 50.34 H new ATOM 1153 N TYR A 70 0.091 -1.336 4.646 1.00 41.15 N ATOM 1154 CA TYR A 70 -0.889 -0.246 4.711 1.00 41.03 C ATOM 1155 C TYR A 70 -0.615 0.675 5.913 1.00 4.21 C ATOM 1156 O TYR A 70 -0.585 1.898 5.781 1.00 60.23 O ATOM 1157 CB TYR A 70 -2.303 -0.840 4.808 1.00 51.31 C ATOM 1158 CG TYR A 70 -3.424 0.181 4.714 1.00 14.20 C ATOM 1159 CD1 TYR A 70 -3.848 0.667 3.480 1.00 14.32 C ATOM 1160 CD2 TYR A 70 -4.068 0.650 5.858 1.00 54.01 C ATOM 1161 CE1 TYR A 70 -4.875 1.585 3.388 1.00 74.15 C ATOM 1162 CE2 TYR A 70 -5.097 1.570 5.772 1.00 71.02 C ATOM 1163 CZ TYR A 70 -5.497 2.033 4.535 1.00 62.21 C ATOM 1164 OH TYR A 70 -6.526 2.942 4.441 1.00 34.14 O ATOM 0 H TYR A 70 -0.323 -2.268 4.673 1.00 41.15 H new ATOM 0 HA TYR A 70 -0.805 0.355 3.806 1.00 41.03 H new ATOM 0 HB2 TYR A 70 -2.430 -1.574 4.013 1.00 51.31 H new ATOM 0 HB3 TYR A 70 -2.394 -1.375 5.753 1.00 51.31 H new ATOM 0 HD1 TYR A 70 -3.365 0.320 2.579 1.00 14.32 H new ATOM 0 HD2 TYR A 70 -3.758 0.289 6.828 1.00 54.01 H new ATOM 0 HE1 TYR A 70 -5.190 1.951 2.422 1.00 74.15 H new ATOM 0 HE2 TYR A 70 -5.585 1.924 6.668 1.00 71.02 H new ATOM 0 HH TYR A 70 -7.149 2.809 5.185 1.00 34.14 H new ATOM 1174 N VAL A 71 -0.407 0.073 7.082 1.00 32.14 N ATOM 1175 CA VAL A 71 -0.123 0.828 8.310 1.00 51.44 C ATOM 1176 C VAL A 71 1.103 1.754 8.152 1.00 71.30 C ATOM 1177 O VAL A 71 1.036 2.948 8.458 1.00 5.42 O ATOM 1178 CB VAL A 71 0.110 -0.133 9.505 1.00 32.21 C ATOM 1179 CG1 VAL A 71 0.442 0.640 10.782 1.00 30.23 C ATOM 1180 CG2 VAL A 71 -1.107 -1.032 9.718 1.00 34.50 C ATOM 0 H VAL A 71 -0.429 -0.939 7.209 1.00 32.14 H new ATOM 0 HA VAL A 71 -0.997 1.450 8.505 1.00 51.44 H new ATOM 0 HB VAL A 71 0.967 -0.763 9.265 1.00 32.21 H new ATOM 0 HG11 VAL A 71 0.600 -0.061 11.601 1.00 30.23 H new ATOM 0 HG12 VAL A 71 1.347 1.227 10.627 1.00 30.23 H new ATOM 0 HG13 VAL A 71 -0.384 1.307 11.029 1.00 30.23 H new ATOM 0 HG21 VAL A 71 -0.924 -1.699 10.561 1.00 34.50 H new ATOM 0 HG22 VAL A 71 -1.982 -0.416 9.926 1.00 34.50 H new ATOM 0 HG23 VAL A 71 -1.284 -1.623 8.820 1.00 34.50 H new ATOM 1190 N LEU A 72 2.213 1.198 7.658 1.00 74.23 N ATOM 1191 CA LEU A 72 3.467 1.953 7.497 1.00 60.51 C ATOM 1192 C LEU A 72 3.355 3.071 6.442 1.00 31.30 C ATOM 1193 O LEU A 72 3.892 4.160 6.626 1.00 44.12 O ATOM 1194 CB LEU A 72 4.627 1.002 7.137 1.00 62.41 C ATOM 1195 CG LEU A 72 5.312 0.298 8.327 1.00 44.41 C ATOM 1196 CD1 LEU A 72 5.944 1.321 9.265 1.00 14.43 C ATOM 1197 CD2 LEU A 72 4.334 -0.597 9.085 1.00 42.22 C ATOM 0 H LEU A 72 2.272 0.224 7.361 1.00 74.23 H new ATOM 0 HA LEU A 72 3.671 2.431 8.455 1.00 60.51 H new ATOM 0 HB2 LEU A 72 4.249 0.239 6.457 1.00 62.41 H new ATOM 0 HB3 LEU A 72 5.381 1.569 6.592 1.00 62.41 H new ATOM 0 HG LEU A 72 6.101 -0.339 7.926 1.00 44.41 H new ATOM 0 HD11 LEU A 72 6.422 0.805 10.098 1.00 14.43 H new ATOM 0 HD12 LEU A 72 6.690 1.901 8.721 1.00 14.43 H new ATOM 0 HD13 LEU A 72 5.173 1.989 9.647 1.00 14.43 H new ATOM 0 HD21 LEU A 72 4.850 -1.077 9.917 1.00 42.22 H new ATOM 0 HD22 LEU A 72 3.511 0.006 9.468 1.00 42.22 H new ATOM 0 HD23 LEU A 72 3.942 -1.360 8.412 1.00 42.22 H new ATOM 1209 N VAL A 73 2.666 2.800 5.337 1.00 50.21 N ATOM 1210 CA VAL A 73 2.524 3.790 4.261 1.00 55.42 C ATOM 1211 C VAL A 73 1.577 4.943 4.656 1.00 34.20 C ATOM 1212 O VAL A 73 1.892 6.121 4.445 1.00 73.10 O ATOM 1213 CB VAL A 73 2.023 3.131 2.950 1.00 63.35 C ATOM 1214 CG1 VAL A 73 1.781 4.177 1.863 1.00 13.20 C ATOM 1215 CG2 VAL A 73 3.018 2.076 2.465 1.00 64.52 C ATOM 0 H VAL A 73 2.198 1.911 5.159 1.00 50.21 H new ATOM 0 HA VAL A 73 3.517 4.206 4.092 1.00 55.42 H new ATOM 0 HB VAL A 73 1.073 2.642 3.163 1.00 63.35 H new ATOM 0 HG11 VAL A 73 1.430 3.685 0.956 1.00 13.20 H new ATOM 0 HG12 VAL A 73 1.029 4.888 2.204 1.00 13.20 H new ATOM 0 HG13 VAL A 73 2.711 4.705 1.653 1.00 13.20 H new ATOM 0 HG21 VAL A 73 2.649 1.624 1.544 1.00 64.52 H new ATOM 0 HG22 VAL A 73 3.984 2.546 2.278 1.00 64.52 H new ATOM 0 HG23 VAL A 73 3.131 1.305 3.227 1.00 64.52 H new ATOM 1225 N THR A 74 0.430 4.602 5.242 1.00 64.14 N ATOM 1226 CA THR A 74 -0.576 5.610 5.617 1.00 52.25 C ATOM 1227 C THR A 74 -0.052 6.602 6.665 1.00 75.14 C ATOM 1228 O THR A 74 -0.326 7.800 6.576 1.00 43.43 O ATOM 1229 CB THR A 74 -1.884 4.967 6.145 1.00 44.42 C ATOM 1230 OG1 THR A 74 -1.608 4.096 7.252 1.00 74.52 O ATOM 1231 CG2 THR A 74 -2.596 4.189 5.043 1.00 11.20 C ATOM 0 H THR A 74 0.170 3.642 5.469 1.00 64.14 H new ATOM 0 HA THR A 74 -0.792 6.153 4.697 1.00 52.25 H new ATOM 0 HB THR A 74 -2.537 5.773 6.480 1.00 44.42 H new ATOM 0 HG1 THR A 74 -1.220 3.259 6.921 1.00 74.52 H new ATOM 0 HG21 THR A 74 -3.510 3.749 5.441 1.00 11.20 H new ATOM 0 HG22 THR A 74 -2.845 4.864 4.224 1.00 11.20 H new ATOM 0 HG23 THR A 74 -1.942 3.398 4.675 1.00 11.20 H new ATOM 1239 N GLU A 75 0.711 6.117 7.652 1.00 34.22 N ATOM 1240 CA GLU A 75 1.259 6.998 8.700 1.00 33.30 C ATOM 1241 C GLU A 75 2.207 8.061 8.117 1.00 53.44 C ATOM 1242 O GLU A 75 2.397 9.123 8.710 1.00 21.22 O ATOM 1243 CB GLU A 75 1.986 6.188 9.789 1.00 12.52 C ATOM 1244 CG GLU A 75 3.235 5.456 9.308 1.00 71.22 C ATOM 1245 CD GLU A 75 4.038 4.841 10.450 1.00 33.44 C ATOM 1246 OE1 GLU A 75 3.517 3.930 11.128 1.00 53.43 O ATOM 1247 OE2 GLU A 75 5.188 5.276 10.684 1.00 43.13 O ATOM 0 H GLU A 75 0.963 5.133 7.750 1.00 34.22 H new ATOM 0 HA GLU A 75 0.410 7.511 9.153 1.00 33.30 H new ATOM 0 HB2 GLU A 75 2.265 6.862 10.599 1.00 12.52 H new ATOM 0 HB3 GLU A 75 1.291 5.459 10.206 1.00 12.52 H new ATOM 0 HG2 GLU A 75 2.944 4.670 8.611 1.00 71.22 H new ATOM 0 HG3 GLU A 75 3.869 6.152 8.758 1.00 71.22 H new ATOM 1254 N LYS A 76 2.802 7.774 6.956 1.00 43.13 N ATOM 1255 CA LYS A 76 3.702 8.731 6.302 1.00 2.40 C ATOM 1256 C LYS A 76 2.913 9.806 5.532 1.00 55.21 C ATOM 1257 O LYS A 76 3.415 10.909 5.299 1.00 74.24 O ATOM 1258 CB LYS A 76 4.665 8.010 5.343 1.00 75.42 C ATOM 1259 CG LYS A 76 5.394 6.819 5.963 1.00 21.54 C ATOM 1260 CD LYS A 76 6.072 7.174 7.285 1.00 11.23 C ATOM 1261 CE LYS A 76 6.808 5.978 7.880 1.00 73.31 C ATOM 1262 NZ LYS A 76 7.317 6.261 9.247 1.00 11.54 N ATOM 0 H LYS A 76 2.679 6.895 6.452 1.00 43.13 H new ATOM 0 HA LYS A 76 4.280 9.220 7.086 1.00 2.40 H new ATOM 0 HB2 LYS A 76 4.104 7.666 4.474 1.00 75.42 H new ATOM 0 HB3 LYS A 76 5.404 8.726 4.982 1.00 75.42 H new ATOM 0 HG2 LYS A 76 4.684 6.008 6.128 1.00 21.54 H new ATOM 0 HG3 LYS A 76 6.142 6.450 5.262 1.00 21.54 H new ATOM 0 HD2 LYS A 76 6.775 7.991 7.125 1.00 11.23 H new ATOM 0 HD3 LYS A 76 5.324 7.530 7.993 1.00 11.23 H new ATOM 0 HE2 LYS A 76 6.137 5.120 7.914 1.00 73.31 H new ATOM 0 HE3 LYS A 76 7.641 5.706 7.232 1.00 73.31 H new ATOM 0 HZ1 LYS A 76 8.131 5.646 9.449 1.00 11.54 H new ATOM 0 HZ2 LYS A 76 7.612 7.256 9.309 1.00 11.54 H new ATOM 0 HZ3 LYS A 76 6.565 6.079 9.942 1.00 11.54 H new ATOM 1276 N GLY A 77 1.673 9.477 5.155 1.00 22.11 N ATOM 1277 CA GLY A 77 0.827 10.413 4.410 1.00 73.14 C ATOM 1278 C GLY A 77 0.167 9.805 3.171 1.00 61.35 C ATOM 1279 O GLY A 77 -0.567 10.492 2.456 1.00 51.20 O ATOM 0 H GLY A 77 1.236 8.577 5.352 1.00 22.11 H new ATOM 0 HA2 GLY A 77 0.050 10.792 5.074 1.00 73.14 H new ATOM 0 HA3 GLY A 77 1.430 11.268 4.105 1.00 73.14 H new ATOM 1283 N GLY A 78 0.427 8.524 2.902 1.00 65.40 N ATOM 1284 CA GLY A 78 -0.187 7.855 1.753 1.00 14.41 C ATOM 1285 C GLY A 78 0.822 7.477 0.668 1.00 12.32 C ATOM 1286 O GLY A 78 1.976 7.912 0.706 1.00 43.32 O ATOM 0 H GLY A 78 1.050 7.936 3.455 1.00 65.40 H new ATOM 0 HA2 GLY A 78 -0.698 6.955 2.095 1.00 14.41 H new ATOM 0 HA3 GLY A 78 -0.946 8.508 1.323 1.00 14.41 H new ATOM 1290 N LEU A 79 0.377 6.677 -0.307 1.00 23.44 N ATOM 1291 CA LEU A 79 1.249 6.183 -1.391 1.00 74.20 C ATOM 1292 C LEU A 79 2.036 7.313 -2.077 1.00 3.35 C ATOM 1293 O LEU A 79 3.267 7.281 -2.117 1.00 54.22 O ATOM 1294 CB LEU A 79 0.418 5.424 -2.440 1.00 73.35 C ATOM 1295 CG LEU A 79 1.215 4.846 -3.626 1.00 41.22 C ATOM 1296 CD1 LEU A 79 2.296 3.878 -3.144 1.00 33.21 C ATOM 1297 CD2 LEU A 79 0.281 4.157 -4.619 1.00 62.45 C ATOM 0 H LEU A 79 -0.588 6.353 -0.372 1.00 23.44 H new ATOM 0 HA LEU A 79 1.973 5.510 -0.931 1.00 74.20 H new ATOM 0 HB2 LEU A 79 -0.104 4.606 -1.943 1.00 73.35 H new ATOM 0 HB3 LEU A 79 -0.344 6.098 -2.831 1.00 73.35 H new ATOM 0 HG LEU A 79 1.708 5.675 -4.134 1.00 41.22 H new ATOM 0 HD11 LEU A 79 2.842 3.486 -4.002 1.00 33.21 H new ATOM 0 HD12 LEU A 79 2.986 4.403 -2.484 1.00 33.21 H new ATOM 0 HD13 LEU A 79 1.831 3.054 -2.602 1.00 33.21 H new ATOM 0 HD21 LEU A 79 0.864 3.756 -5.448 1.00 62.45 H new ATOM 0 HD22 LEU A 79 -0.246 3.344 -4.119 1.00 62.45 H new ATOM 0 HD23 LEU A 79 -0.442 4.879 -4.999 1.00 62.45 H new ATOM 1309 N VAL A 80 1.321 8.304 -2.618 1.00 42.00 N ATOM 1310 CA VAL A 80 1.957 9.429 -3.326 1.00 34.11 C ATOM 1311 C VAL A 80 2.989 10.145 -2.440 1.00 33.42 C ATOM 1312 O VAL A 80 4.080 10.495 -2.895 1.00 55.54 O ATOM 1313 CB VAL A 80 0.902 10.456 -3.813 1.00 51.12 C ATOM 1314 CG1 VAL A 80 1.560 11.636 -4.532 1.00 33.10 C ATOM 1315 CG2 VAL A 80 -0.124 9.773 -4.715 1.00 45.32 C ATOM 0 H VAL A 80 0.303 8.354 -2.582 1.00 42.00 H new ATOM 0 HA VAL A 80 2.469 9.005 -4.190 1.00 34.11 H new ATOM 0 HB VAL A 80 0.388 10.853 -2.938 1.00 51.12 H new ATOM 0 HG11 VAL A 80 0.792 12.336 -4.860 1.00 33.10 H new ATOM 0 HG12 VAL A 80 2.245 12.141 -3.851 1.00 33.10 H new ATOM 0 HG13 VAL A 80 2.113 11.272 -5.398 1.00 33.10 H new ATOM 0 HG21 VAL A 80 -0.859 10.505 -5.050 1.00 45.32 H new ATOM 0 HG22 VAL A 80 0.381 9.344 -5.580 1.00 45.32 H new ATOM 0 HG23 VAL A 80 -0.627 8.982 -4.159 1.00 45.32 H new ATOM 1325 N GLU A 81 2.636 10.341 -1.174 1.00 62.13 N ATOM 1326 CA GLU A 81 3.536 10.963 -0.199 1.00 40.12 C ATOM 1327 C GLU A 81 4.843 10.159 -0.060 1.00 72.52 C ATOM 1328 O GLU A 81 5.939 10.716 -0.119 1.00 15.42 O ATOM 1329 CB GLU A 81 2.831 11.078 1.161 1.00 42.31 C ATOM 1330 CG GLU A 81 3.654 11.773 2.246 1.00 50.41 C ATOM 1331 CD GLU A 81 3.969 13.228 1.927 1.00 12.43 C ATOM 1332 OE1 GLU A 81 3.062 13.955 1.469 1.00 35.12 O ATOM 1333 OE2 GLU A 81 5.115 13.660 2.162 1.00 75.41 O ATOM 0 H GLU A 81 1.727 10.077 -0.793 1.00 62.13 H new ATOM 0 HA GLU A 81 3.793 11.961 -0.554 1.00 40.12 H new ATOM 0 HB2 GLU A 81 1.897 11.623 1.027 1.00 42.31 H new ATOM 0 HB3 GLU A 81 2.570 10.078 1.506 1.00 42.31 H new ATOM 0 HG2 GLU A 81 3.111 11.725 3.190 1.00 50.41 H new ATOM 0 HG3 GLU A 81 4.588 11.229 2.387 1.00 50.41 H new ATOM 1340 N VAL A 82 4.715 8.841 0.104 1.00 13.21 N ATOM 1341 CA VAL A 82 5.882 7.953 0.216 1.00 5.01 C ATOM 1342 C VAL A 82 6.730 7.973 -1.068 1.00 21.41 C ATOM 1343 O VAL A 82 7.962 7.993 -1.013 1.00 11.15 O ATOM 1344 CB VAL A 82 5.449 6.496 0.535 1.00 31.22 C ATOM 1345 CG1 VAL A 82 6.658 5.567 0.622 1.00 11.44 C ATOM 1346 CG2 VAL A 82 4.643 6.450 1.833 1.00 45.02 C ATOM 0 H VAL A 82 3.817 8.362 0.163 1.00 13.21 H new ATOM 0 HA VAL A 82 6.490 8.328 1.039 1.00 5.01 H new ATOM 0 HB VAL A 82 4.816 6.147 -0.281 1.00 31.22 H new ATOM 0 HG11 VAL A 82 6.323 4.554 0.846 1.00 11.44 H new ATOM 0 HG12 VAL A 82 7.189 5.571 -0.330 1.00 11.44 H new ATOM 0 HG13 VAL A 82 7.326 5.912 1.412 1.00 11.44 H new ATOM 0 HG21 VAL A 82 4.348 5.422 2.042 1.00 45.02 H new ATOM 0 HG22 VAL A 82 5.254 6.826 2.654 1.00 45.02 H new ATOM 0 HG23 VAL A 82 3.752 7.070 1.730 1.00 45.02 H new ATOM 1356 N ILE A 83 6.063 7.982 -2.221 1.00 23.32 N ATOM 1357 CA ILE A 83 6.744 8.068 -3.523 1.00 64.54 C ATOM 1358 C ILE A 83 7.593 9.353 -3.630 1.00 14.12 C ATOM 1359 O ILE A 83 8.727 9.333 -4.114 1.00 3.54 O ATOM 1360 CB ILE A 83 5.716 8.021 -4.690 1.00 52.03 C ATOM 1361 CG1 ILE A 83 4.974 6.673 -4.698 1.00 60.41 C ATOM 1362 CG2 ILE A 83 6.388 8.274 -6.040 1.00 14.52 C ATOM 1363 CD1 ILE A 83 3.933 6.551 -5.795 1.00 65.14 C ATOM 0 H ILE A 83 5.046 7.931 -2.285 1.00 23.32 H new ATOM 0 HA ILE A 83 7.408 7.207 -3.599 1.00 64.54 H new ATOM 0 HB ILE A 83 4.991 8.819 -4.528 1.00 52.03 H new ATOM 0 HG12 ILE A 83 5.702 5.869 -4.810 1.00 60.41 H new ATOM 0 HG13 ILE A 83 4.489 6.531 -3.732 1.00 60.41 H new ATOM 0 HG21 ILE A 83 5.640 8.234 -6.832 1.00 14.52 H new ATOM 0 HG22 ILE A 83 6.858 9.258 -6.034 1.00 14.52 H new ATOM 0 HG23 ILE A 83 7.146 7.511 -6.218 1.00 14.52 H new ATOM 0 HD11 ILE A 83 3.454 5.574 -5.735 1.00 65.14 H new ATOM 0 HD12 ILE A 83 3.182 7.332 -5.672 1.00 65.14 H new ATOM 0 HD13 ILE A 83 4.414 6.660 -6.767 1.00 65.14 H new ATOM 1375 N ASN A 84 7.036 10.470 -3.175 1.00 60.02 N ATOM 1376 CA ASN A 84 7.760 11.746 -3.158 1.00 12.11 C ATOM 1377 C ASN A 84 8.892 11.744 -2.110 1.00 24.45 C ATOM 1378 O ASN A 84 10.000 12.218 -2.373 1.00 2.34 O ATOM 1379 CB ASN A 84 6.783 12.898 -2.889 1.00 65.40 C ATOM 1380 CG ASN A 84 5.793 13.098 -4.026 1.00 4.25 C ATOM 1381 OD1 ASN A 84 6.110 12.867 -5.192 1.00 44.43 O ATOM 1382 ND2 ASN A 84 4.586 13.523 -3.703 1.00 15.05 N ATOM 0 H ASN A 84 6.084 10.523 -2.812 1.00 60.02 H new ATOM 0 HA ASN A 84 8.220 11.885 -4.136 1.00 12.11 H new ATOM 0 HB2 ASN A 84 6.237 12.700 -1.967 1.00 65.40 H new ATOM 0 HB3 ASN A 84 7.345 13.819 -2.735 1.00 65.40 H new ATOM 0 HD21 ASN A 84 3.885 13.669 -4.430 1.00 15.05 H new ATOM 0 HD22 ASN A 84 4.354 13.706 -2.727 1.00 15.05 H new ATOM 1389 N LYS A 85 8.616 11.195 -0.931 1.00 75.42 N ATOM 1390 CA LYS A 85 9.602 11.161 0.160 1.00 15.20 C ATOM 1391 C LYS A 85 10.682 10.083 -0.049 1.00 11.23 C ATOM 1392 O LYS A 85 11.734 10.125 0.589 1.00 13.13 O ATOM 1393 CB LYS A 85 8.882 10.912 1.493 1.00 43.44 C ATOM 1394 CG LYS A 85 7.956 12.042 1.937 1.00 30.35 C ATOM 1395 CD LYS A 85 8.652 13.051 2.854 1.00 53.20 C ATOM 1396 CE LYS A 85 9.800 13.785 2.167 1.00 22.14 C ATOM 1397 NZ LYS A 85 10.416 14.805 3.057 1.00 41.33 N ATOM 0 H LYS A 85 7.720 10.766 -0.700 1.00 75.42 H new ATOM 0 HA LYS A 85 10.106 12.127 0.171 1.00 15.20 H new ATOM 0 HB2 LYS A 85 8.300 9.994 1.410 1.00 43.44 H new ATOM 0 HB3 LYS A 85 9.629 10.746 2.269 1.00 43.44 H new ATOM 0 HG2 LYS A 85 7.574 12.560 1.057 1.00 30.35 H new ATOM 0 HG3 LYS A 85 7.096 11.619 2.456 1.00 30.35 H new ATOM 0 HD2 LYS A 85 7.921 13.779 3.206 1.00 53.20 H new ATOM 0 HD3 LYS A 85 9.034 12.532 3.733 1.00 53.20 H new ATOM 0 HE2 LYS A 85 10.559 13.065 1.859 1.00 22.14 H new ATOM 0 HE3 LYS A 85 9.432 14.267 1.261 1.00 22.14 H new ATOM 0 HZ1 LYS A 85 11.192 15.282 2.554 1.00 41.33 H new ATOM 0 HZ2 LYS A 85 9.698 15.506 3.330 1.00 41.33 H new ATOM 0 HZ3 LYS A 85 10.790 14.341 3.910 1.00 41.33 H new ATOM 1411 N LYS A 86 10.412 9.116 -0.930 1.00 71.31 N ATOM 1412 CA LYS A 86 11.374 8.042 -1.254 1.00 22.34 C ATOM 1413 C LYS A 86 11.747 7.185 -0.023 1.00 4.11 C ATOM 1414 O LYS A 86 12.637 6.334 -0.102 1.00 14.52 O ATOM 1415 CB LYS A 86 12.657 8.634 -1.862 1.00 43.11 C ATOM 1416 CG LYS A 86 12.436 9.483 -3.109 1.00 63.23 C ATOM 1417 CD LYS A 86 11.893 8.665 -4.278 1.00 13.01 C ATOM 1418 CE LYS A 86 11.807 9.500 -5.548 1.00 12.30 C ATOM 1419 NZ LYS A 86 10.891 10.661 -5.392 1.00 21.41 N ATOM 0 H LYS A 86 9.530 9.049 -1.439 1.00 71.31 H new ATOM 0 HA LYS A 86 10.880 7.393 -1.977 1.00 22.34 H new ATOM 0 HB2 LYS A 86 13.153 9.244 -1.107 1.00 43.11 H new ATOM 0 HB3 LYS A 86 13.336 7.818 -2.110 1.00 43.11 H new ATOM 0 HG2 LYS A 86 11.740 10.289 -2.878 1.00 63.23 H new ATOM 0 HG3 LYS A 86 13.378 9.949 -3.400 1.00 63.23 H new ATOM 0 HD2 LYS A 86 12.537 7.803 -4.451 1.00 13.01 H new ATOM 0 HD3 LYS A 86 10.905 8.280 -4.026 1.00 13.01 H new ATOM 0 HE2 LYS A 86 12.802 9.857 -5.815 1.00 12.30 H new ATOM 0 HE3 LYS A 86 11.461 8.874 -6.371 1.00 12.30 H new ATOM 0 HZ1 LYS A 86 10.608 11.008 -6.330 1.00 21.41 H new ATOM 0 HZ2 LYS A 86 10.046 10.368 -4.862 1.00 21.41 H new ATOM 0 HZ3 LYS A 86 11.378 11.420 -4.874 1.00 21.41 H new ATOM 1433 N LEU A 87 11.054 7.379 1.099 1.00 60.35 N ATOM 1434 CA LEU A 87 11.450 6.750 2.374 1.00 71.35 C ATOM 1435 C LEU A 87 10.992 5.279 2.478 1.00 2.22 C ATOM 1436 O LEU A 87 10.783 4.759 3.572 1.00 71.12 O ATOM 1437 CB LEU A 87 10.915 7.576 3.569 1.00 64.10 C ATOM 1438 CG LEU A 87 9.451 7.325 3.992 1.00 1.50 C ATOM 1439 CD1 LEU A 87 9.100 8.147 5.229 1.00 45.13 C ATOM 1440 CD2 LEU A 87 8.483 7.639 2.859 1.00 54.33 C ATOM 0 H LEU A 87 10.219 7.962 1.159 1.00 60.35 H new ATOM 0 HA LEU A 87 12.540 6.741 2.403 1.00 71.35 H new ATOM 0 HB2 LEU A 87 11.555 7.381 4.430 1.00 64.10 H new ATOM 0 HB3 LEU A 87 11.021 8.633 3.325 1.00 64.10 H new ATOM 0 HG LEU A 87 9.355 6.267 4.234 1.00 1.50 H new ATOM 0 HD11 LEU A 87 8.065 7.956 5.511 1.00 45.13 H new ATOM 0 HD12 LEU A 87 9.758 7.866 6.051 1.00 45.13 H new ATOM 0 HD13 LEU A 87 9.227 9.207 5.009 1.00 45.13 H new ATOM 0 HD21 LEU A 87 7.462 7.451 3.191 1.00 54.33 H new ATOM 0 HD22 LEU A 87 8.585 8.686 2.573 1.00 54.33 H new ATOM 0 HD23 LEU A 87 8.708 7.005 2.002 1.00 54.33 H new ATOM 1452 N TRP A 88 10.896 4.590 1.337 1.00 32.40 N ATOM 1453 CA TRP A 88 10.464 3.183 1.303 1.00 24.41 C ATOM 1454 C TRP A 88 11.320 2.276 2.210 1.00 42.44 C ATOM 1455 O TRP A 88 10.877 1.200 2.611 1.00 62.45 O ATOM 1456 CB TRP A 88 10.487 2.651 -0.136 1.00 62.45 C ATOM 1457 CG TRP A 88 9.374 3.178 -0.995 1.00 44.21 C ATOM 1458 CD1 TRP A 88 9.434 4.209 -1.890 1.00 52.12 C ATOM 1459 CD2 TRP A 88 8.028 2.691 -1.031 1.00 13.53 C ATOM 1460 NE1 TRP A 88 8.207 4.389 -2.483 1.00 61.10 N ATOM 1461 CE2 TRP A 88 7.328 3.470 -1.972 1.00 31.40 C ATOM 1462 CE3 TRP A 88 7.350 1.671 -0.362 1.00 2.35 C ATOM 1463 CZ2 TRP A 88 5.981 3.261 -2.255 1.00 41.44 C ATOM 1464 CZ3 TRP A 88 6.013 1.464 -0.643 1.00 43.12 C ATOM 1465 CH2 TRP A 88 5.340 2.256 -1.584 1.00 33.13 C ATOM 0 H TRP A 88 11.112 4.982 0.420 1.00 32.40 H new ATOM 0 HA TRP A 88 9.445 3.158 1.688 1.00 24.41 H new ATOM 0 HB2 TRP A 88 11.441 2.911 -0.594 1.00 62.45 H new ATOM 0 HB3 TRP A 88 10.431 1.563 -0.112 1.00 62.45 H new ATOM 0 HD1 TRP A 88 10.316 4.796 -2.100 1.00 52.12 H new ATOM 0 HE1 TRP A 88 7.987 5.092 -3.188 1.00 61.10 H new ATOM 0 HE3 TRP A 88 7.861 1.054 0.362 1.00 2.35 H new ATOM 0 HZ2 TRP A 88 5.461 3.871 -2.979 1.00 41.44 H new ATOM 0 HZ3 TRP A 88 5.478 0.679 -0.129 1.00 43.12 H new ATOM 0 HH2 TRP A 88 4.295 2.069 -1.783 1.00 33.13 H new ATOM 1476 N ARG A 89 12.541 2.709 2.537 1.00 51.01 N ATOM 1477 CA ARG A 89 13.409 1.943 3.446 1.00 24.15 C ATOM 1478 C ARG A 89 12.783 1.837 4.851 1.00 33.11 C ATOM 1479 O ARG A 89 13.040 0.884 5.587 1.00 51.55 O ATOM 1480 CB ARG A 89 14.808 2.578 3.521 1.00 21.11 C ATOM 1481 CG ARG A 89 14.852 3.929 4.233 1.00 44.24 C ATOM 1482 CD ARG A 89 16.236 4.571 4.134 1.00 10.24 C ATOM 1483 NE ARG A 89 16.530 5.020 2.773 1.00 1.33 N ATOM 1484 CZ ARG A 89 17.620 4.731 2.107 1.00 75.01 C ATOM 1485 NH1 ARG A 89 18.544 3.984 2.624 1.00 3.23 N ATOM 1486 NH2 ARG A 89 17.774 5.195 0.911 1.00 23.24 N ATOM 0 H ARG A 89 12.951 3.577 2.192 1.00 51.01 H new ATOM 0 HA ARG A 89 13.510 0.934 3.046 1.00 24.15 H new ATOM 0 HB2 ARG A 89 15.479 1.889 4.034 1.00 21.11 H new ATOM 0 HB3 ARG A 89 15.192 2.702 2.508 1.00 21.11 H new ATOM 0 HG2 ARG A 89 14.109 4.596 3.796 1.00 44.24 H new ATOM 0 HG3 ARG A 89 14.585 3.797 5.282 1.00 44.24 H new ATOM 0 HD2 ARG A 89 16.293 5.419 4.817 1.00 10.24 H new ATOM 0 HD3 ARG A 89 16.993 3.854 4.452 1.00 10.24 H new ATOM 0 HE ARG A 89 15.833 5.602 2.308 1.00 1.33 H new ATOM 0 HH11 ARG A 89 18.430 3.610 3.566 1.00 3.23 H new ATOM 0 HH12 ARG A 89 19.386 3.770 2.089 1.00 3.23 H new ATOM 0 HH21 ARG A 89 17.050 5.781 0.494 1.00 23.24 H new ATOM 0 HH22 ARG A 89 18.619 4.976 0.384 1.00 23.24 H new ATOM 1500 N GLU A 90 11.960 2.826 5.210 1.00 34.12 N ATOM 1501 CA GLU A 90 11.173 2.780 6.449 1.00 43.42 C ATOM 1502 C GLU A 90 10.129 1.661 6.374 1.00 73.23 C ATOM 1503 O GLU A 90 9.884 0.948 7.346 1.00 13.30 O ATOM 1504 CB GLU A 90 10.462 4.122 6.683 1.00 32.33 C ATOM 1505 CG GLU A 90 11.399 5.316 6.805 1.00 31.01 C ATOM 1506 CD GLU A 90 12.290 5.246 8.033 1.00 12.12 C ATOM 1507 OE1 GLU A 90 11.859 5.704 9.110 1.00 73.34 O ATOM 1508 OE2 GLU A 90 13.426 4.741 7.924 1.00 4.45 O ATOM 0 H GLU A 90 11.820 3.673 4.659 1.00 34.12 H new ATOM 0 HA GLU A 90 11.854 2.585 7.278 1.00 43.42 H new ATOM 0 HB2 GLU A 90 9.770 4.301 5.860 1.00 32.33 H new ATOM 0 HB3 GLU A 90 9.865 4.050 7.592 1.00 32.33 H new ATOM 0 HG2 GLU A 90 12.023 5.375 5.913 1.00 31.01 H new ATOM 0 HG3 GLU A 90 10.809 6.232 6.842 1.00 31.01 H new ATOM 1515 N ILE A 91 9.525 1.518 5.197 1.00 30.43 N ATOM 1516 CA ILE A 91 8.482 0.516 4.966 1.00 51.22 C ATOM 1517 C ILE A 91 9.058 -0.908 5.040 1.00 32.40 C ATOM 1518 O ILE A 91 8.573 -1.745 5.804 1.00 22.30 O ATOM 1519 CB ILE A 91 7.806 0.722 3.588 1.00 73.21 C ATOM 1520 CG1 ILE A 91 7.406 2.196 3.386 1.00 34.42 C ATOM 1521 CG2 ILE A 91 6.589 -0.186 3.450 1.00 22.44 C ATOM 1522 CD1 ILE A 91 6.443 2.732 4.428 1.00 45.12 C ATOM 0 H ILE A 91 9.741 2.088 4.380 1.00 30.43 H new ATOM 0 HA ILE A 91 7.736 0.641 5.751 1.00 51.22 H new ATOM 0 HB ILE A 91 8.526 0.458 2.814 1.00 73.21 H new ATOM 0 HG12 ILE A 91 8.307 2.809 3.393 1.00 34.42 H new ATOM 0 HG13 ILE A 91 6.954 2.305 2.400 1.00 34.42 H new ATOM 0 HG21 ILE A 91 6.126 -0.028 2.476 1.00 22.44 H new ATOM 0 HG22 ILE A 91 6.900 -1.227 3.540 1.00 22.44 H new ATOM 0 HG23 ILE A 91 5.870 0.047 4.235 1.00 22.44 H new ATOM 0 HD11 ILE A 91 6.215 3.775 4.210 1.00 45.12 H new ATOM 0 HD12 ILE A 91 5.523 2.148 4.408 1.00 45.12 H new ATOM 0 HD13 ILE A 91 6.898 2.659 5.416 1.00 45.12 H new ATOM 1534 N THR A 92 10.104 -1.172 4.250 1.00 10.34 N ATOM 1535 CA THR A 92 10.780 -2.479 4.274 1.00 1.05 C ATOM 1536 C THR A 92 11.270 -2.823 5.683 1.00 51.51 C ATOM 1537 O THR A 92 11.044 -3.928 6.175 1.00 42.13 O ATOM 1538 CB THR A 92 11.993 -2.538 3.307 1.00 4.45 C ATOM 1539 OG1 THR A 92 12.873 -1.426 3.542 1.00 51.01 O ATOM 1540 CG2 THR A 92 11.546 -2.550 1.848 1.00 60.21 C ATOM 0 H THR A 92 10.501 -0.504 3.589 1.00 10.34 H new ATOM 0 HA THR A 92 10.035 -3.205 3.948 1.00 1.05 H new ATOM 0 HB THR A 92 12.527 -3.468 3.503 1.00 4.45 H new ATOM 0 HG1 THR A 92 13.634 -1.476 2.927 1.00 51.01 H new ATOM 0 HG21 THR A 92 12.421 -2.592 1.200 1.00 60.21 H new ATOM 0 HG22 THR A 92 10.918 -3.423 1.667 1.00 60.21 H new ATOM 0 HG23 THR A 92 10.979 -1.644 1.634 1.00 60.21 H new ATOM 1548 N LYS A 93 11.934 -1.869 6.333 1.00 32.21 N ATOM 1549 CA LYS A 93 12.456 -2.085 7.687 1.00 73.35 C ATOM 1550 C LYS A 93 11.310 -2.307 8.690 1.00 75.31 C ATOM 1551 O LYS A 93 11.443 -3.068 9.648 1.00 74.41 O ATOM 1552 CB LYS A 93 13.329 -0.895 8.121 1.00 3.11 C ATOM 1553 CG LYS A 93 14.316 -1.221 9.241 1.00 1.13 C ATOM 1554 CD LYS A 93 15.268 -2.348 8.838 1.00 44.23 C ATOM 1555 CE LYS A 93 16.375 -2.570 9.863 1.00 21.53 C ATOM 1556 NZ LYS A 93 17.230 -1.366 10.037 1.00 45.14 N ATOM 0 H LYS A 93 12.124 -0.943 5.949 1.00 32.21 H new ATOM 0 HA LYS A 93 13.073 -2.984 7.674 1.00 73.35 H new ATOM 0 HB2 LYS A 93 13.884 -0.531 7.256 1.00 3.11 H new ATOM 0 HB3 LYS A 93 12.680 -0.082 8.448 1.00 3.11 H new ATOM 0 HG2 LYS A 93 14.891 -0.330 9.492 1.00 1.13 H new ATOM 0 HG3 LYS A 93 13.768 -1.509 10.138 1.00 1.13 H new ATOM 0 HD2 LYS A 93 14.702 -3.271 8.714 1.00 44.23 H new ATOM 0 HD3 LYS A 93 15.714 -2.115 7.871 1.00 44.23 H new ATOM 0 HE2 LYS A 93 15.931 -2.840 10.821 1.00 21.53 H new ATOM 0 HE3 LYS A 93 16.994 -3.411 9.550 1.00 21.53 H new ATOM 0 HZ1 LYS A 93 18.111 -1.633 10.521 1.00 45.14 H new ATOM 0 HZ2 LYS A 93 17.455 -0.962 9.105 1.00 45.14 H new ATOM 0 HZ3 LYS A 93 16.723 -0.659 10.607 1.00 45.14 H new ATOM 1570 N GLY A 94 10.175 -1.644 8.451 1.00 35.44 N ATOM 1571 CA GLY A 94 8.993 -1.837 9.284 1.00 62.12 C ATOM 1572 C GLY A 94 8.422 -3.248 9.177 1.00 1.43 C ATOM 1573 O GLY A 94 7.834 -3.764 10.128 1.00 22.44 O ATOM 0 H GLY A 94 10.053 -0.974 7.692 1.00 35.44 H new ATOM 0 HA2 GLY A 94 9.248 -1.630 10.323 1.00 62.12 H new ATOM 0 HA3 GLY A 94 8.228 -1.117 8.995 1.00 62.12 H new ATOM 1577 N LEU A 95 8.601 -3.875 8.013 1.00 14.42 N ATOM 1578 CA LEU A 95 8.162 -5.257 7.795 1.00 64.52 C ATOM 1579 C LEU A 95 9.309 -6.246 8.084 1.00 63.10 C ATOM 1580 O LEU A 95 9.191 -7.445 7.827 1.00 1.30 O ATOM 1581 CB LEU A 95 7.670 -5.430 6.348 1.00 60.50 C ATOM 1582 CG LEU A 95 6.636 -4.396 5.869 1.00 13.35 C ATOM 1583 CD1 LEU A 95 6.214 -4.678 4.430 1.00 50.41 C ATOM 1584 CD2 LEU A 95 5.426 -4.372 6.793 1.00 24.52 C ATOM 0 H LEU A 95 9.049 -3.447 7.203 1.00 14.42 H new ATOM 0 HA LEU A 95 7.342 -5.471 8.480 1.00 64.52 H new ATOM 0 HB2 LEU A 95 8.533 -5.390 5.683 1.00 60.50 H new ATOM 0 HB3 LEU A 95 7.236 -6.425 6.247 1.00 60.50 H new ATOM 0 HG LEU A 95 7.103 -3.412 5.898 1.00 13.35 H new ATOM 0 HD11 LEU A 95 5.483 -3.934 4.113 1.00 50.41 H new ATOM 0 HD12 LEU A 95 7.087 -4.629 3.779 1.00 50.41 H new ATOM 0 HD13 LEU A 95 5.771 -5.672 4.369 1.00 50.41 H new ATOM 0 HD21 LEU A 95 4.709 -3.634 6.434 1.00 24.52 H new ATOM 0 HD22 LEU A 95 4.958 -5.356 6.805 1.00 24.52 H new ATOM 0 HD23 LEU A 95 5.744 -4.109 7.802 1.00 24.52 H new ATOM 1596 N ASN A 96 10.418 -5.716 8.616 1.00 51.20 N ATOM 1597 CA ASN A 96 11.620 -6.507 8.938 1.00 75.11 C ATOM 1598 C ASN A 96 12.249 -7.115 7.664 1.00 11.35 C ATOM 1599 O ASN A 96 13.012 -8.081 7.725 1.00 41.53 O ATOM 1600 CB ASN A 96 11.279 -7.602 9.968 1.00 24.22 C ATOM 1601 CG ASN A 96 12.480 -8.020 10.805 1.00 5.42 C ATOM 1602 OD1 ASN A 96 13.196 -8.961 10.477 1.00 21.12 O ATOM 1603 ND2 ASN A 96 12.711 -7.320 11.897 1.00 21.40 N ATOM 0 H ASN A 96 10.510 -4.725 8.837 1.00 51.20 H new ATOM 0 HA ASN A 96 12.361 -5.840 9.379 1.00 75.11 H new ATOM 0 HB2 ASN A 96 10.490 -7.241 10.628 1.00 24.22 H new ATOM 0 HB3 ASN A 96 10.884 -8.474 9.447 1.00 24.22 H new ATOM 0 HD21 ASN A 96 13.503 -7.555 12.496 1.00 21.40 H new ATOM 0 HD22 ASN A 96 12.098 -6.543 12.144 1.00 21.40 H new ATOM 1610 N LEU A 97 11.944 -6.513 6.514 1.00 22.25 N ATOM 1611 CA LEU A 97 12.465 -6.973 5.220 1.00 20.41 C ATOM 1612 C LEU A 97 13.837 -6.349 4.910 1.00 41.40 C ATOM 1613 O LEU A 97 14.148 -5.242 5.368 1.00 44.24 O ATOM 1614 CB LEU A 97 11.479 -6.617 4.092 1.00 3.13 C ATOM 1615 CG LEU A 97 10.047 -7.145 4.277 1.00 31.12 C ATOM 1616 CD1 LEU A 97 9.187 -6.820 3.059 1.00 52.34 C ATOM 1617 CD2 LEU A 97 10.052 -8.643 4.555 1.00 24.14 C ATOM 0 H LEU A 97 11.334 -5.698 6.450 1.00 22.25 H new ATOM 0 HA LEU A 97 12.583 -8.055 5.280 1.00 20.41 H new ATOM 0 HB2 LEU A 97 11.439 -5.532 3.997 1.00 3.13 H new ATOM 0 HB3 LEU A 97 11.873 -7.005 3.152 1.00 3.13 H new ATOM 0 HG LEU A 97 9.611 -6.644 5.141 1.00 31.12 H new ATOM 0 HD11 LEU A 97 8.178 -7.203 3.213 1.00 52.34 H new ATOM 0 HD12 LEU A 97 9.147 -5.740 2.919 1.00 52.34 H new ATOM 0 HD13 LEU A 97 9.620 -7.284 2.173 1.00 52.34 H new ATOM 0 HD21 LEU A 97 9.028 -8.993 4.682 1.00 24.14 H new ATOM 0 HD22 LEU A 97 10.513 -9.167 3.718 1.00 24.14 H new ATOM 0 HD23 LEU A 97 10.619 -8.842 5.464 1.00 24.14 H new ATOM 1629 N PRO A 98 14.678 -7.050 4.123 1.00 54.21 N ATOM 1630 CA PRO A 98 15.987 -6.530 3.699 1.00 1.00 C ATOM 1631 C PRO A 98 15.854 -5.392 2.669 1.00 12.22 C ATOM 1632 O PRO A 98 15.405 -5.602 1.542 1.00 34.25 O ATOM 1633 CB PRO A 98 16.674 -7.757 3.083 1.00 13.53 C ATOM 1634 CG PRO A 98 15.556 -8.626 2.619 1.00 62.24 C ATOM 1635 CD PRO A 98 14.421 -8.404 3.587 1.00 24.24 C ATOM 0 HA PRO A 98 16.546 -6.092 4.526 1.00 1.00 H new ATOM 0 HB2 PRO A 98 17.324 -7.473 2.255 1.00 13.53 H new ATOM 0 HB3 PRO A 98 17.297 -8.271 3.815 1.00 13.53 H new ATOM 0 HG2 PRO A 98 15.258 -8.367 1.603 1.00 62.24 H new ATOM 0 HG3 PRO A 98 15.857 -9.674 2.606 1.00 62.24 H new ATOM 0 HD2 PRO A 98 13.453 -8.461 3.089 1.00 24.24 H new ATOM 0 HD3 PRO A 98 14.417 -9.154 4.378 1.00 24.24 H new ATOM 1643 N THR A 99 16.252 -4.186 3.064 1.00 13.25 N ATOM 1644 CA THR A 99 16.143 -3.006 2.190 1.00 0.20 C ATOM 1645 C THR A 99 17.091 -3.088 0.979 1.00 53.23 C ATOM 1646 O THR A 99 17.021 -2.266 0.063 1.00 40.15 O ATOM 1647 CB THR A 99 16.425 -1.698 2.973 1.00 55.43 C ATOM 1648 OG1 THR A 99 16.248 -0.553 2.122 1.00 60.24 O ATOM 1649 CG2 THR A 99 17.838 -1.697 3.553 1.00 4.50 C ATOM 0 H THR A 99 16.654 -3.993 3.982 1.00 13.25 H new ATOM 0 HA THR A 99 15.117 -2.993 1.822 1.00 0.20 H new ATOM 0 HB THR A 99 15.713 -1.645 3.797 1.00 55.43 H new ATOM 0 HG1 THR A 99 16.331 -0.826 1.185 1.00 60.24 H new ATOM 0 HG21 THR A 99 18.007 -0.768 4.097 1.00 4.50 H new ATOM 0 HG22 THR A 99 17.953 -2.541 4.233 1.00 4.50 H new ATOM 0 HG23 THR A 99 18.563 -1.781 2.744 1.00 4.50 H new ATOM 1657 N SER A 100 17.968 -4.092 0.972 1.00 73.13 N ATOM 1658 CA SER A 100 18.940 -4.278 -0.118 1.00 64.50 C ATOM 1659 C SER A 100 18.348 -5.041 -1.319 1.00 14.41 C ATOM 1660 O SER A 100 19.070 -5.378 -2.264 1.00 4.31 O ATOM 1661 CB SER A 100 20.182 -5.019 0.393 1.00 1.12 C ATOM 1662 OG SER A 100 21.141 -5.197 -0.642 1.00 12.23 O ATOM 0 H SER A 100 18.029 -4.794 1.709 1.00 73.13 H new ATOM 0 HA SER A 100 19.215 -3.281 -0.462 1.00 64.50 H new ATOM 0 HB2 SER A 100 20.630 -4.459 1.214 1.00 1.12 H new ATOM 0 HB3 SER A 100 19.890 -5.990 0.792 1.00 1.12 H new ATOM 0 HG SER A 100 20.686 -5.215 -1.510 1.00 12.23 H new ATOM 1668 N ILE A 101 17.045 -5.320 -1.288 1.00 14.05 N ATOM 1669 CA ILE A 101 16.371 -5.967 -2.421 1.00 35.42 C ATOM 1670 C ILE A 101 16.444 -5.079 -3.679 1.00 35.11 C ATOM 1671 O ILE A 101 16.059 -3.909 -3.645 1.00 61.13 O ATOM 1672 CB ILE A 101 14.890 -6.300 -2.094 1.00 12.31 C ATOM 1673 CG1 ILE A 101 14.815 -7.312 -0.938 1.00 31.02 C ATOM 1674 CG2 ILE A 101 14.167 -6.838 -3.332 1.00 32.43 C ATOM 1675 CD1 ILE A 101 13.411 -7.584 -0.447 1.00 21.25 C ATOM 0 H ILE A 101 16.435 -5.111 -0.497 1.00 14.05 H new ATOM 0 HA ILE A 101 16.894 -6.904 -2.615 1.00 35.42 H new ATOM 0 HB ILE A 101 14.390 -5.382 -1.785 1.00 12.31 H new ATOM 0 HG12 ILE A 101 15.264 -8.251 -1.262 1.00 31.02 H new ATOM 0 HG13 ILE A 101 15.414 -6.942 -0.106 1.00 31.02 H new ATOM 0 HG21 ILE A 101 13.131 -7.064 -3.079 1.00 32.43 H new ATOM 0 HG22 ILE A 101 14.192 -6.088 -4.122 1.00 32.43 H new ATOM 0 HG23 ILE A 101 14.663 -7.745 -3.677 1.00 32.43 H new ATOM 0 HD11 ILE A 101 13.444 -8.307 0.368 1.00 21.25 H new ATOM 0 HD12 ILE A 101 12.964 -6.656 -0.090 1.00 21.25 H new ATOM 0 HD13 ILE A 101 12.811 -7.985 -1.264 1.00 21.25 H new ATOM 1687 N THR A 102 16.930 -5.661 -4.782 1.00 24.50 N ATOM 1688 CA THR A 102 17.225 -4.923 -6.028 1.00 71.25 C ATOM 1689 C THR A 102 16.183 -3.841 -6.370 1.00 75.42 C ATOM 1690 O THR A 102 16.529 -2.672 -6.557 1.00 73.35 O ATOM 1691 CB THR A 102 17.344 -5.895 -7.233 1.00 71.21 C ATOM 1692 OG1 THR A 102 18.289 -6.940 -6.938 1.00 24.04 O ATOM 1693 CG2 THR A 102 17.782 -5.161 -8.499 1.00 73.23 C ATOM 0 H THR A 102 17.132 -6.659 -4.841 1.00 24.50 H new ATOM 0 HA THR A 102 18.175 -4.420 -5.844 1.00 71.25 H new ATOM 0 HB THR A 102 16.359 -6.328 -7.406 1.00 71.21 H new ATOM 0 HG1 THR A 102 18.354 -7.548 -7.704 1.00 24.04 H new ATOM 0 HG21 THR A 102 17.856 -5.870 -9.324 1.00 73.23 H new ATOM 0 HG22 THR A 102 17.050 -4.392 -8.746 1.00 73.23 H new ATOM 0 HG23 THR A 102 18.754 -4.696 -8.332 1.00 73.23 H new ATOM 1701 N SER A 103 14.911 -4.228 -6.452 1.00 12.15 N ATOM 1702 CA SER A 103 13.837 -3.295 -6.842 1.00 1.34 C ATOM 1703 C SER A 103 12.795 -3.114 -5.726 1.00 10.33 C ATOM 1704 O SER A 103 11.621 -2.877 -6.005 1.00 32.24 O ATOM 1705 CB SER A 103 13.141 -3.801 -8.116 1.00 62.13 C ATOM 1706 OG SER A 103 12.509 -5.056 -7.898 1.00 31.23 O ATOM 0 H SER A 103 14.592 -5.177 -6.256 1.00 12.15 H new ATOM 0 HA SER A 103 14.299 -2.325 -7.028 1.00 1.34 H new ATOM 0 HB2 SER A 103 12.401 -3.071 -8.442 1.00 62.13 H new ATOM 0 HB3 SER A 103 13.872 -3.895 -8.919 1.00 62.13 H new ATOM 0 HG SER A 103 12.074 -5.351 -8.725 1.00 31.23 H new ATOM 1712 N ALA A 104 13.238 -3.187 -4.467 1.00 25.54 N ATOM 1713 CA ALA A 104 12.334 -3.091 -3.304 1.00 4.41 C ATOM 1714 C ALA A 104 11.322 -1.934 -3.424 1.00 34.35 C ATOM 1715 O ALA A 104 10.117 -2.159 -3.546 1.00 32.12 O ATOM 1716 CB ALA A 104 13.148 -2.939 -2.021 1.00 52.42 C ATOM 0 H ALA A 104 14.220 -3.313 -4.221 1.00 25.54 H new ATOM 0 HA ALA A 104 11.758 -4.016 -3.274 1.00 4.41 H new ATOM 0 HB1 ALA A 104 12.473 -2.869 -1.168 1.00 52.42 H new ATOM 0 HB2 ALA A 104 13.799 -3.805 -1.898 1.00 52.42 H new ATOM 0 HB3 ALA A 104 13.754 -2.035 -2.079 1.00 52.42 H new ATOM 1722 N ALA A 105 11.824 -0.700 -3.415 1.00 11.23 N ATOM 1723 CA ALA A 105 10.969 0.494 -3.426 1.00 23.01 C ATOM 1724 C ALA A 105 10.120 0.588 -4.703 1.00 13.34 C ATOM 1725 O ALA A 105 8.911 0.834 -4.648 1.00 1.31 O ATOM 1726 CB ALA A 105 11.829 1.745 -3.272 1.00 42.04 C ATOM 0 H ALA A 105 12.823 -0.497 -3.400 1.00 11.23 H new ATOM 0 HA ALA A 105 10.279 0.415 -2.586 1.00 23.01 H new ATOM 0 HB1 ALA A 105 11.191 2.629 -3.281 1.00 42.04 H new ATOM 0 HB2 ALA A 105 12.372 1.699 -2.328 1.00 42.04 H new ATOM 0 HB3 ALA A 105 12.539 1.802 -4.097 1.00 42.04 H new ATOM 1732 N PHE A 106 10.758 0.375 -5.847 1.00 62.42 N ATOM 1733 CA PHE A 106 10.089 0.501 -7.144 1.00 1.23 C ATOM 1734 C PHE A 106 8.948 -0.526 -7.295 1.00 33.33 C ATOM 1735 O PHE A 106 7.905 -0.230 -7.892 1.00 61.52 O ATOM 1736 CB PHE A 106 11.119 0.337 -8.273 1.00 24.14 C ATOM 1737 CG PHE A 106 10.616 0.757 -9.636 1.00 31.24 C ATOM 1738 CD1 PHE A 106 10.557 2.102 -9.982 1.00 42.44 C ATOM 1739 CD2 PHE A 106 10.204 -0.186 -10.567 1.00 75.03 C ATOM 1740 CE1 PHE A 106 10.099 2.495 -11.227 1.00 43.43 C ATOM 1741 CE2 PHE A 106 9.746 0.202 -11.813 1.00 14.03 C ATOM 1742 CZ PHE A 106 9.693 1.544 -12.143 1.00 53.54 C ATOM 0 H PHE A 106 11.742 0.113 -5.907 1.00 62.42 H new ATOM 0 HA PHE A 106 9.642 1.493 -7.205 1.00 1.23 H new ATOM 0 HB2 PHE A 106 12.005 0.922 -8.029 1.00 24.14 H new ATOM 0 HB3 PHE A 106 11.429 -0.707 -8.318 1.00 24.14 H new ATOM 0 HD1 PHE A 106 10.873 2.850 -9.270 1.00 42.44 H new ATOM 0 HD2 PHE A 106 10.241 -1.236 -10.316 1.00 75.03 H new ATOM 0 HE1 PHE A 106 10.059 3.544 -11.482 1.00 43.43 H new ATOM 0 HE2 PHE A 106 9.430 -0.543 -12.528 1.00 14.03 H new ATOM 0 HZ PHE A 106 9.335 1.848 -13.115 1.00 53.54 H new ATOM 1752 N THR A 107 9.154 -1.724 -6.748 1.00 31.21 N ATOM 1753 CA THR A 107 8.156 -2.803 -6.813 1.00 31.12 C ATOM 1754 C THR A 107 7.022 -2.608 -5.787 1.00 23.13 C ATOM 1755 O THR A 107 5.841 -2.692 -6.138 1.00 55.43 O ATOM 1756 CB THR A 107 8.809 -4.192 -6.592 1.00 52.31 C ATOM 1757 OG1 THR A 107 9.799 -4.438 -7.604 1.00 54.14 O ATOM 1758 CG2 THR A 107 7.773 -5.312 -6.619 1.00 13.33 C ATOM 0 H THR A 107 10.008 -1.977 -6.251 1.00 31.21 H new ATOM 0 HA THR A 107 7.728 -2.761 -7.815 1.00 31.12 H new ATOM 0 HB THR A 107 9.277 -4.181 -5.608 1.00 52.31 H new ATOM 0 HG1 THR A 107 10.686 -4.479 -7.190 1.00 54.14 H new ATOM 0 HG21 THR A 107 8.269 -6.270 -6.461 1.00 13.33 H new ATOM 0 HG22 THR A 107 7.039 -5.148 -5.830 1.00 13.33 H new ATOM 0 HG23 THR A 107 7.270 -5.319 -7.586 1.00 13.33 H new ATOM 1766 N LEU A 108 7.381 -2.355 -4.520 1.00 73.24 N ATOM 1767 CA LEU A 108 6.383 -2.155 -3.450 1.00 22.34 C ATOM 1768 C LEU A 108 5.359 -1.075 -3.831 1.00 34.50 C ATOM 1769 O LEU A 108 4.163 -1.215 -3.570 1.00 53.31 O ATOM 1770 CB LEU A 108 7.066 -1.780 -2.125 1.00 1.33 C ATOM 1771 CG LEU A 108 7.926 -2.882 -1.487 1.00 75.11 C ATOM 1772 CD1 LEU A 108 8.561 -2.388 -0.190 1.00 1.02 C ATOM 1773 CD2 LEU A 108 7.098 -4.142 -1.234 1.00 62.34 C ATOM 0 H LEU A 108 8.350 -2.284 -4.208 1.00 73.24 H new ATOM 0 HA LEU A 108 5.855 -3.100 -3.321 1.00 22.34 H new ATOM 0 HB2 LEU A 108 7.695 -0.906 -2.296 1.00 1.33 H new ATOM 0 HB3 LEU A 108 6.297 -1.485 -1.411 1.00 1.33 H new ATOM 0 HG LEU A 108 8.724 -3.134 -2.186 1.00 75.11 H new ATOM 0 HD11 LEU A 108 9.166 -3.184 0.245 1.00 1.02 H new ATOM 0 HD12 LEU A 108 9.193 -1.525 -0.400 1.00 1.02 H new ATOM 0 HD13 LEU A 108 7.778 -2.102 0.512 1.00 1.02 H new ATOM 0 HD21 LEU A 108 7.729 -4.907 -0.782 1.00 62.34 H new ATOM 0 HD22 LEU A 108 6.274 -3.907 -0.560 1.00 62.34 H new ATOM 0 HD23 LEU A 108 6.700 -4.512 -2.179 1.00 62.34 H new ATOM 1785 N ARG A 109 5.848 -0.005 -4.454 1.00 63.04 N ATOM 1786 CA ARG A 109 4.993 1.067 -4.975 1.00 43.11 C ATOM 1787 C ARG A 109 3.846 0.509 -5.839 1.00 42.45 C ATOM 1788 O ARG A 109 2.689 0.903 -5.689 1.00 53.32 O ATOM 1789 CB ARG A 109 5.856 2.029 -5.807 1.00 33.53 C ATOM 1790 CG ARG A 109 5.066 2.991 -6.692 1.00 42.43 C ATOM 1791 CD ARG A 109 5.914 3.482 -7.859 1.00 33.34 C ATOM 1792 NE ARG A 109 6.521 2.353 -8.573 1.00 44.20 N ATOM 1793 CZ ARG A 109 6.476 2.171 -9.866 1.00 53.15 C ATOM 1794 NH1 ARG A 109 5.905 3.034 -10.645 1.00 65.12 N ATOM 1795 NH2 ARG A 109 7.005 1.108 -10.379 1.00 10.11 N ATOM 0 H ARG A 109 6.844 0.146 -4.613 1.00 63.04 H new ATOM 0 HA ARG A 109 4.543 1.593 -4.133 1.00 43.11 H new ATOM 0 HB2 ARG A 109 6.483 2.610 -5.131 1.00 33.53 H new ATOM 0 HB3 ARG A 109 6.525 1.443 -6.437 1.00 33.53 H new ATOM 0 HG2 ARG A 109 4.174 2.493 -7.071 1.00 42.43 H new ATOM 0 HG3 ARG A 109 4.729 3.842 -6.100 1.00 42.43 H new ATOM 0 HD2 ARG A 109 5.296 4.062 -8.545 1.00 33.34 H new ATOM 0 HD3 ARG A 109 6.695 4.148 -7.492 1.00 33.34 H new ATOM 0 HE ARG A 109 7.017 1.656 -8.017 1.00 44.20 H new ATOM 0 HH11 ARG A 109 5.480 3.874 -10.251 1.00 65.12 H new ATOM 0 HH12 ARG A 109 5.880 2.874 -11.652 1.00 65.12 H new ATOM 0 HH21 ARG A 109 7.453 0.419 -9.775 1.00 10.11 H new ATOM 0 HH22 ARG A 109 6.974 0.959 -11.388 1.00 10.11 H new ATOM 1809 N THR A 110 4.179 -0.416 -6.737 1.00 11.10 N ATOM 1810 CA THR A 110 3.189 -1.005 -7.650 1.00 3.52 C ATOM 1811 C THR A 110 2.237 -1.963 -6.922 1.00 60.14 C ATOM 1812 O THR A 110 1.022 -1.904 -7.110 1.00 44.14 O ATOM 1813 CB THR A 110 3.871 -1.761 -8.822 1.00 74.23 C ATOM 1814 OG1 THR A 110 4.662 -0.849 -9.600 1.00 73.33 O ATOM 1815 CG2 THR A 110 2.844 -2.436 -9.729 1.00 72.54 C ATOM 0 H THR A 110 5.126 -0.777 -6.856 1.00 11.10 H new ATOM 0 HA THR A 110 2.611 -0.171 -8.050 1.00 3.52 H new ATOM 0 HB THR A 110 4.508 -2.533 -8.390 1.00 74.23 H new ATOM 0 HG1 THR A 110 5.090 -1.334 -10.336 1.00 73.33 H new ATOM 0 HG21 THR A 110 3.358 -2.955 -10.538 1.00 72.54 H new ATOM 0 HG22 THR A 110 2.262 -3.153 -9.150 1.00 72.54 H new ATOM 0 HG23 THR A 110 2.177 -1.682 -10.148 1.00 72.54 H new ATOM 1823 N GLN A 111 2.787 -2.842 -6.085 1.00 62.52 N ATOM 1824 CA GLN A 111 1.972 -3.835 -5.368 1.00 20.22 C ATOM 1825 C GLN A 111 0.963 -3.154 -4.425 1.00 51.22 C ATOM 1826 O GLN A 111 -0.215 -3.522 -4.382 1.00 15.42 O ATOM 1827 CB GLN A 111 2.869 -4.803 -4.584 1.00 44.50 C ATOM 1828 CG GLN A 111 3.951 -5.470 -5.435 1.00 72.30 C ATOM 1829 CD GLN A 111 3.406 -6.191 -6.664 1.00 24.52 C ATOM 1830 OE1 GLN A 111 2.279 -6.677 -6.677 1.00 32.12 O ATOM 1831 NE2 GLN A 111 4.210 -6.271 -7.706 1.00 73.31 N ATOM 0 H GLN A 111 3.786 -2.891 -5.884 1.00 62.52 H new ATOM 0 HA GLN A 111 1.409 -4.402 -6.109 1.00 20.22 H new ATOM 0 HB2 GLN A 111 3.345 -4.261 -3.767 1.00 44.50 H new ATOM 0 HB3 GLN A 111 2.247 -5.576 -4.133 1.00 44.50 H new ATOM 0 HG2 GLN A 111 4.666 -4.713 -5.756 1.00 72.30 H new ATOM 0 HG3 GLN A 111 4.497 -6.184 -4.818 1.00 72.30 H new ATOM 0 HE21 GLN A 111 5.141 -5.857 -7.665 1.00 73.31 H new ATOM 0 HE22 GLN A 111 3.901 -6.747 -8.553 1.00 73.31 H new ATOM 1840 N TYR A 112 1.432 -2.152 -3.683 1.00 43.43 N ATOM 1841 CA TYR A 112 0.556 -1.347 -2.825 1.00 73.31 C ATOM 1842 C TYR A 112 -0.556 -0.684 -3.659 1.00 33.41 C ATOM 1843 O TYR A 112 -1.726 -0.670 -3.266 1.00 65.32 O ATOM 1844 CB TYR A 112 1.379 -0.274 -2.098 1.00 44.23 C ATOM 1845 CG TYR A 112 0.581 0.576 -1.123 1.00 21.14 C ATOM 1846 CD1 TYR A 112 0.446 0.198 0.208 1.00 44.14 C ATOM 1847 CD2 TYR A 112 -0.030 1.759 -1.528 1.00 45.14 C ATOM 1848 CE1 TYR A 112 -0.271 0.970 1.099 1.00 52.25 C ATOM 1849 CE2 TYR A 112 -0.745 2.535 -0.639 1.00 70.03 C ATOM 1850 CZ TYR A 112 -0.863 2.137 0.674 1.00 13.32 C ATOM 1851 OH TYR A 112 -1.571 2.907 1.566 1.00 44.33 O ATOM 0 H TYR A 112 2.414 -1.876 -3.657 1.00 43.43 H new ATOM 0 HA TYR A 112 0.092 -2.002 -2.088 1.00 73.31 H new ATOM 0 HB2 TYR A 112 2.191 -0.761 -1.557 1.00 44.23 H new ATOM 0 HB3 TYR A 112 1.837 0.380 -2.840 1.00 44.23 H new ATOM 0 HD1 TYR A 112 0.910 -0.715 0.550 1.00 44.14 H new ATOM 0 HD2 TYR A 112 0.057 2.075 -2.557 1.00 45.14 H new ATOM 0 HE1 TYR A 112 -0.367 0.659 2.129 1.00 52.25 H new ATOM 0 HE2 TYR A 112 -1.210 3.451 -0.972 1.00 70.03 H new ATOM 0 HH TYR A 112 -1.845 3.742 1.132 1.00 44.33 H new ATOM 1861 N MET A 113 -0.165 -0.148 -4.815 1.00 42.14 N ATOM 1862 CA MET A 113 -1.096 0.486 -5.758 1.00 15.33 C ATOM 1863 C MET A 113 -2.198 -0.487 -6.215 1.00 34.23 C ATOM 1864 O MET A 113 -3.353 -0.100 -6.389 1.00 41.32 O ATOM 1865 CB MET A 113 -0.310 1.000 -6.973 1.00 4.01 C ATOM 1866 CG MET A 113 -1.145 1.749 -8.001 1.00 54.44 C ATOM 1867 SD MET A 113 -0.165 2.269 -9.424 1.00 5.24 S ATOM 1868 CE MET A 113 1.095 3.266 -8.627 1.00 61.05 C ATOM 0 H MET A 113 0.806 -0.139 -5.127 1.00 42.14 H new ATOM 0 HA MET A 113 -1.586 1.317 -5.250 1.00 15.33 H new ATOM 0 HB2 MET A 113 0.485 1.658 -6.622 1.00 4.01 H new ATOM 0 HB3 MET A 113 0.170 0.153 -7.463 1.00 4.01 H new ATOM 0 HG2 MET A 113 -1.962 1.111 -8.338 1.00 54.44 H new ATOM 0 HG3 MET A 113 -1.596 2.624 -7.533 1.00 54.44 H new ATOM 0 HE1 MET A 113 1.475 4.004 -9.333 1.00 61.05 H new ATOM 0 HE2 MET A 113 0.664 3.776 -7.765 1.00 61.05 H new ATOM 0 HE3 MET A 113 1.912 2.624 -8.298 1.00 61.05 H new ATOM 1878 N LYS A 114 -1.823 -1.750 -6.398 1.00 75.22 N ATOM 1879 CA LYS A 114 -2.747 -2.790 -6.866 1.00 41.44 C ATOM 1880 C LYS A 114 -3.831 -3.138 -5.825 1.00 13.11 C ATOM 1881 O LYS A 114 -5.006 -3.280 -6.169 1.00 33.33 O ATOM 1882 CB LYS A 114 -1.950 -4.056 -7.231 1.00 42.11 C ATOM 1883 CG LYS A 114 -1.033 -3.883 -8.442 1.00 42.45 C ATOM 1884 CD LYS A 114 0.034 -4.977 -8.522 1.00 33.13 C ATOM 1885 CE LYS A 114 -0.561 -6.379 -8.587 1.00 74.11 C ATOM 1886 NZ LYS A 114 0.498 -7.418 -8.686 1.00 52.24 N ATOM 0 H LYS A 114 -0.875 -2.085 -6.228 1.00 75.22 H new ATOM 0 HA LYS A 114 -3.262 -2.397 -7.743 1.00 41.44 H new ATOM 0 HB2 LYS A 114 -1.349 -4.355 -6.372 1.00 42.11 H new ATOM 0 HB3 LYS A 114 -2.649 -4.869 -7.430 1.00 42.11 H new ATOM 0 HG2 LYS A 114 -1.631 -3.895 -9.353 1.00 42.45 H new ATOM 0 HG3 LYS A 114 -0.548 -2.908 -8.392 1.00 42.45 H new ATOM 0 HD2 LYS A 114 0.654 -4.809 -9.402 1.00 33.13 H new ATOM 0 HD3 LYS A 114 0.688 -4.905 -7.653 1.00 33.13 H new ATOM 0 HE2 LYS A 114 -1.167 -6.559 -7.699 1.00 74.11 H new ATOM 0 HE3 LYS A 114 -1.226 -6.453 -9.447 1.00 74.11 H new ATOM 0 HZ1 LYS A 114 0.120 -8.331 -8.361 1.00 52.24 H new ATOM 0 HZ2 LYS A 114 0.808 -7.504 -9.675 1.00 52.24 H new ATOM 0 HZ3 LYS A 114 1.307 -7.147 -8.092 1.00 52.24 H new ATOM 1900 N TYR A 115 -3.439 -3.284 -4.556 1.00 61.21 N ATOM 1901 CA TYR A 115 -4.363 -3.793 -3.523 1.00 34.12 C ATOM 1902 C TYR A 115 -4.817 -2.724 -2.511 1.00 55.54 C ATOM 1903 O TYR A 115 -6.011 -2.557 -2.265 1.00 52.12 O ATOM 1904 CB TYR A 115 -3.701 -4.964 -2.781 1.00 32.43 C ATOM 1905 CG TYR A 115 -3.297 -6.098 -3.707 1.00 4.12 C ATOM 1906 CD1 TYR A 115 -4.226 -7.049 -4.112 1.00 22.01 C ATOM 1907 CD2 TYR A 115 -2.000 -6.199 -4.200 1.00 42.32 C ATOM 1908 CE1 TYR A 115 -3.876 -8.067 -4.976 1.00 2.24 C ATOM 1909 CE2 TYR A 115 -1.642 -7.219 -5.061 1.00 45.43 C ATOM 1910 CZ TYR A 115 -2.585 -8.147 -5.449 1.00 62.11 C ATOM 1911 OH TYR A 115 -2.243 -9.152 -6.320 1.00 15.33 O ATOM 0 H TYR A 115 -2.503 -3.062 -4.217 1.00 61.21 H new ATOM 0 HA TYR A 115 -5.263 -4.120 -4.043 1.00 34.12 H new ATOM 0 HB2 TYR A 115 -2.819 -4.601 -2.253 1.00 32.43 H new ATOM 0 HB3 TYR A 115 -4.389 -5.345 -2.027 1.00 32.43 H new ATOM 0 HD1 TYR A 115 -5.240 -6.990 -3.744 1.00 22.01 H new ATOM 0 HD2 TYR A 115 -1.261 -5.469 -3.905 1.00 42.32 H new ATOM 0 HE1 TYR A 115 -4.611 -8.797 -5.280 1.00 2.24 H new ATOM 0 HE2 TYR A 115 -0.629 -7.289 -5.428 1.00 45.43 H new ATOM 0 HH TYR A 115 -1.792 -9.870 -5.830 1.00 15.33 H new ATOM 1921 N LEU A 116 -3.868 -1.995 -1.936 1.00 22.42 N ATOM 1922 CA LEU A 116 -4.155 -1.135 -0.778 1.00 1.45 C ATOM 1923 C LEU A 116 -4.473 0.318 -1.167 1.00 12.13 C ATOM 1924 O LEU A 116 -5.142 1.034 -0.415 1.00 20.04 O ATOM 1925 CB LEU A 116 -2.962 -1.173 0.182 1.00 50.31 C ATOM 1926 CG LEU A 116 -2.617 -2.569 0.725 1.00 12.33 C ATOM 1927 CD1 LEU A 116 -1.288 -2.545 1.473 1.00 33.25 C ATOM 1928 CD2 LEU A 116 -3.735 -3.086 1.630 1.00 13.31 C ATOM 0 H LEU A 116 -2.896 -1.977 -2.245 1.00 22.42 H new ATOM 0 HA LEU A 116 -5.050 -1.527 -0.295 1.00 1.45 H new ATOM 0 HB2 LEU A 116 -2.088 -0.772 -0.331 1.00 50.31 H new ATOM 0 HB3 LEU A 116 -3.169 -0.512 1.024 1.00 50.31 H new ATOM 0 HG LEU A 116 -2.519 -3.249 -0.121 1.00 12.33 H new ATOM 0 HD11 LEU A 116 -1.064 -3.543 1.849 1.00 33.25 H new ATOM 0 HD12 LEU A 116 -0.495 -2.225 0.796 1.00 33.25 H new ATOM 0 HD13 LEU A 116 -1.354 -1.849 2.309 1.00 33.25 H new ATOM 0 HD21 LEU A 116 -3.472 -4.075 2.004 1.00 13.31 H new ATOM 0 HD22 LEU A 116 -3.868 -2.404 2.470 1.00 13.31 H new ATOM 0 HD23 LEU A 116 -4.663 -3.148 1.062 1.00 13.31 H new ATOM 1940 N TYR A 117 -4.014 0.748 -2.338 1.00 24.24 N ATOM 1941 CA TYR A 117 -4.168 2.150 -2.757 1.00 44.12 C ATOM 1942 C TYR A 117 -5.648 2.587 -2.852 1.00 3.33 C ATOM 1943 O TYR A 117 -6.034 3.580 -2.231 1.00 74.15 O ATOM 1944 CB TYR A 117 -3.440 2.406 -4.082 1.00 12.43 C ATOM 1945 CG TYR A 117 -3.682 3.790 -4.657 1.00 75.22 C ATOM 1946 CD1 TYR A 117 -3.136 4.919 -4.056 1.00 43.32 C ATOM 1947 CD2 TYR A 117 -4.460 3.966 -5.796 1.00 72.55 C ATOM 1948 CE1 TYR A 117 -3.357 6.178 -4.575 1.00 12.42 C ATOM 1949 CE2 TYR A 117 -4.687 5.223 -6.318 1.00 61.14 C ATOM 1950 CZ TYR A 117 -4.132 6.324 -5.705 1.00 34.42 C ATOM 1951 OH TYR A 117 -4.359 7.576 -6.220 1.00 44.21 O ATOM 0 H TYR A 117 -3.534 0.155 -3.015 1.00 24.24 H new ATOM 0 HA TYR A 117 -3.709 2.761 -1.979 1.00 44.12 H new ATOM 0 HB2 TYR A 117 -2.369 2.268 -3.930 1.00 12.43 H new ATOM 0 HB3 TYR A 117 -3.757 1.660 -4.810 1.00 12.43 H new ATOM 0 HD1 TYR A 117 -2.530 4.808 -3.169 1.00 43.32 H new ATOM 0 HD2 TYR A 117 -4.894 3.104 -6.280 1.00 72.55 H new ATOM 0 HE1 TYR A 117 -2.925 7.045 -4.098 1.00 12.42 H new ATOM 0 HE2 TYR A 117 -5.296 5.343 -7.202 1.00 61.14 H new ATOM 0 HH TYR A 117 -5.297 7.823 -6.078 1.00 44.21 H new ATOM 1961 N PRO A 118 -6.513 1.863 -3.608 1.00 21.44 N ATOM 1962 CA PRO A 118 -7.942 2.217 -3.699 1.00 22.13 C ATOM 1963 C PRO A 118 -8.587 2.364 -2.311 1.00 23.32 C ATOM 1964 O PRO A 118 -9.503 3.174 -2.100 1.00 23.11 O ATOM 1965 CB PRO A 118 -8.556 1.026 -4.452 1.00 34.10 C ATOM 1966 CG PRO A 118 -7.431 0.460 -5.253 1.00 23.01 C ATOM 1967 CD PRO A 118 -6.190 0.664 -4.419 1.00 55.45 C ATOM 0 HA PRO A 118 -8.098 3.176 -4.194 1.00 22.13 H new ATOM 0 HB2 PRO A 118 -8.960 0.287 -3.760 1.00 34.10 H new ATOM 0 HB3 PRO A 118 -9.377 1.345 -5.094 1.00 34.10 H new ATOM 0 HG2 PRO A 118 -7.593 -0.598 -5.462 1.00 23.01 H new ATOM 0 HG3 PRO A 118 -7.343 0.965 -6.215 1.00 23.01 H new ATOM 0 HD2 PRO A 118 -5.982 -0.202 -3.790 1.00 55.45 H new ATOM 0 HD3 PRO A 118 -5.310 0.825 -5.041 1.00 55.45 H new ATOM 1975 N TYR A 119 -8.074 1.588 -1.357 1.00 35.52 N ATOM 1976 CA TYR A 119 -8.604 1.570 -0.001 1.00 44.12 C ATOM 1977 C TYR A 119 -8.281 2.875 0.747 1.00 64.24 C ATOM 1978 O TYR A 119 -9.156 3.453 1.396 1.00 65.12 O ATOM 1979 CB TYR A 119 -8.054 0.359 0.766 1.00 25.20 C ATOM 1980 CG TYR A 119 -8.865 0.005 1.995 1.00 40.12 C ATOM 1981 CD1 TYR A 119 -10.071 -0.674 1.871 1.00 32.34 C ATOM 1982 CD2 TYR A 119 -8.438 0.357 3.271 1.00 12.01 C ATOM 1983 CE1 TYR A 119 -10.825 -0.995 2.979 1.00 53.13 C ATOM 1984 CE2 TYR A 119 -9.191 0.042 4.384 1.00 43.53 C ATOM 1985 CZ TYR A 119 -10.382 -0.636 4.234 1.00 64.15 C ATOM 1986 OH TYR A 119 -11.145 -0.940 5.340 1.00 3.23 O ATOM 0 H TYR A 119 -7.284 0.959 -1.504 1.00 35.52 H new ATOM 0 HA TYR A 119 -9.689 1.486 -0.064 1.00 44.12 H new ATOM 0 HB2 TYR A 119 -8.026 -0.502 0.098 1.00 25.20 H new ATOM 0 HB3 TYR A 119 -7.026 0.564 1.065 1.00 25.20 H new ATOM 0 HD1 TYR A 119 -10.423 -0.955 0.890 1.00 32.34 H new ATOM 0 HD2 TYR A 119 -7.504 0.885 3.393 1.00 12.01 H new ATOM 0 HE1 TYR A 119 -11.759 -1.525 2.865 1.00 53.13 H new ATOM 0 HE2 TYR A 119 -8.849 0.325 5.368 1.00 43.53 H new ATOM 0 HH TYR A 119 -11.893 -1.514 5.073 1.00 3.23 H new ATOM 1996 N GLU A 120 -7.031 3.349 0.653 1.00 3.23 N ATOM 1997 CA GLU A 120 -6.650 4.609 1.307 1.00 2.12 C ATOM 1998 C GLU A 120 -7.362 5.800 0.651 1.00 73.05 C ATOM 1999 O GLU A 120 -7.767 6.740 1.332 1.00 54.41 O ATOM 2000 CB GLU A 120 -5.125 4.843 1.291 1.00 24.13 C ATOM 2001 CG GLU A 120 -4.553 5.217 -0.077 1.00 11.51 C ATOM 2002 CD GLU A 120 -3.211 5.930 0.023 1.00 31.23 C ATOM 2003 OE1 GLU A 120 -3.200 7.179 0.112 1.00 54.01 O ATOM 2004 OE2 GLU A 120 -2.167 5.249 0.014 1.00 61.24 O ATOM 0 H GLU A 120 -6.279 2.889 0.140 1.00 3.23 H new ATOM 0 HA GLU A 120 -6.963 4.526 2.348 1.00 2.12 H new ATOM 0 HB2 GLU A 120 -4.885 5.636 2.000 1.00 24.13 H new ATOM 0 HB3 GLU A 120 -4.628 3.939 1.643 1.00 24.13 H new ATOM 0 HG2 GLU A 120 -4.437 4.314 -0.677 1.00 11.51 H new ATOM 0 HG3 GLU A 120 -5.263 5.858 -0.600 1.00 11.51 H new ATOM 2011 N CYS A 121 -7.523 5.746 -0.675 1.00 12.51 N ATOM 2012 CA CYS A 121 -8.203 6.815 -1.421 1.00 13.42 C ATOM 2013 C CYS A 121 -9.606 7.097 -0.860 1.00 23.35 C ATOM 2014 O CYS A 121 -9.976 8.251 -0.644 1.00 13.41 O ATOM 2015 CB CYS A 121 -8.311 6.452 -2.909 1.00 23.35 C ATOM 2016 SG CYS A 121 -6.723 6.151 -3.716 1.00 21.42 S ATOM 0 H CYS A 121 -7.193 4.975 -1.255 1.00 12.51 H new ATOM 0 HA CYS A 121 -7.601 7.717 -1.309 1.00 13.42 H new ATOM 0 HB2 CYS A 121 -8.931 5.562 -3.010 1.00 23.35 H new ATOM 0 HB3 CYS A 121 -8.824 7.259 -3.432 1.00 23.35 H new ATOM 0 HG CYS A 121 -6.194 5.063 -3.240 1.00 21.42 H new ATOM 2022 N GLU A 122 -10.381 6.039 -0.618 1.00 71.24 N ATOM 2023 CA GLU A 122 -11.756 6.193 -0.118 1.00 2.11 C ATOM 2024 C GLU A 122 -11.813 6.318 1.421 1.00 75.52 C ATOM 2025 O GLU A 122 -12.341 7.296 1.954 1.00 71.30 O ATOM 2026 CB GLU A 122 -12.619 5.012 -0.586 1.00 11.43 C ATOM 2027 CG GLU A 122 -14.114 5.190 -0.323 1.00 1.44 C ATOM 2028 CD GLU A 122 -14.951 4.059 -0.903 1.00 1.31 C ATOM 2029 OE1 GLU A 122 -14.897 3.843 -2.133 1.00 53.01 O ATOM 2030 OE2 GLU A 122 -15.663 3.373 -0.136 1.00 2.22 O ATOM 0 H GLU A 122 -10.087 5.072 -0.757 1.00 71.24 H new ATOM 0 HA GLU A 122 -12.150 7.122 -0.530 1.00 2.11 H new ATOM 0 HB2 GLU A 122 -12.464 4.863 -1.655 1.00 11.43 H new ATOM 0 HB3 GLU A 122 -12.278 4.106 -0.085 1.00 11.43 H new ATOM 0 HG2 GLU A 122 -14.285 5.249 0.752 1.00 1.44 H new ATOM 0 HG3 GLU A 122 -14.444 6.137 -0.751 1.00 1.44 H new ATOM 2037 N LYS A 123 -11.261 5.329 2.131 1.00 1.41 N ATOM 2038 CA LYS A 123 -11.347 5.285 3.602 1.00 63.10 C ATOM 2039 C LYS A 123 -10.542 6.410 4.284 1.00 72.41 C ATOM 2040 O LYS A 123 -10.955 6.934 5.318 1.00 31.41 O ATOM 2041 CB LYS A 123 -10.860 3.926 4.132 1.00 73.12 C ATOM 2042 CG LYS A 123 -11.718 2.734 3.714 1.00 53.23 C ATOM 2043 CD LYS A 123 -13.154 2.851 4.220 1.00 45.53 C ATOM 2044 CE LYS A 123 -13.948 1.570 3.978 1.00 55.13 C ATOM 2045 NZ LYS A 123 -13.485 0.445 4.840 1.00 13.42 N ATOM 0 H LYS A 123 -10.751 4.549 1.717 1.00 1.41 H new ATOM 0 HA LYS A 123 -12.398 5.431 3.849 1.00 63.10 H new ATOM 0 HB2 LYS A 123 -9.840 3.761 3.786 1.00 73.12 H new ATOM 0 HB3 LYS A 123 -10.825 3.967 5.221 1.00 73.12 H new ATOM 0 HG2 LYS A 123 -11.723 2.656 2.627 1.00 53.23 H new ATOM 0 HG3 LYS A 123 -11.273 1.816 4.098 1.00 53.23 H new ATOM 0 HD2 LYS A 123 -13.146 3.077 5.286 1.00 45.53 H new ATOM 0 HD3 LYS A 123 -13.648 3.684 3.721 1.00 45.53 H new ATOM 0 HE2 LYS A 123 -15.005 1.759 4.168 1.00 55.13 H new ATOM 0 HE3 LYS A 123 -13.859 1.282 2.930 1.00 55.13 H new ATOM 0 HZ1 LYS A 123 -13.905 -0.445 4.505 1.00 13.42 H new ATOM 0 HZ2 LYS A 123 -12.448 0.377 4.795 1.00 13.42 H new ATOM 0 HZ3 LYS A 123 -13.778 0.617 5.823 1.00 13.42 H new ATOM 2059 N ARG A 124 -9.390 6.768 3.716 1.00 12.41 N ATOM 2060 CA ARG A 124 -8.511 7.787 4.321 1.00 63.30 C ATOM 2061 C ARG A 124 -8.576 9.123 3.564 1.00 71.43 C ATOM 2062 O ARG A 124 -8.470 10.192 4.163 1.00 1.14 O ATOM 2063 CB ARG A 124 -7.060 7.283 4.345 1.00 2.40 C ATOM 2064 CG ARG A 124 -6.869 5.973 5.102 1.00 60.50 C ATOM 2065 CD ARG A 124 -7.026 6.142 6.611 1.00 13.11 C ATOM 2066 NE ARG A 124 -7.085 4.848 7.285 1.00 0.14 N ATOM 2067 CZ ARG A 124 -6.580 4.588 8.461 1.00 21.11 C ATOM 2068 NH1 ARG A 124 -5.942 5.495 9.133 1.00 2.24 N ATOM 2069 NH2 ARG A 124 -6.723 3.408 8.962 1.00 32.52 N ATOM 0 H ARG A 124 -9.039 6.374 2.843 1.00 12.41 H new ATOM 0 HA ARG A 124 -8.863 7.958 5.338 1.00 63.30 H new ATOM 0 HB2 ARG A 124 -6.715 7.151 3.319 1.00 2.40 H new ATOM 0 HB3 ARG A 124 -6.428 8.047 4.798 1.00 2.40 H new ATOM 0 HG2 ARG A 124 -7.593 5.241 4.744 1.00 60.50 H new ATOM 0 HG3 ARG A 124 -5.878 5.573 4.885 1.00 60.50 H new ATOM 0 HD2 ARG A 124 -6.190 6.721 7.003 1.00 13.11 H new ATOM 0 HD3 ARG A 124 -7.933 6.707 6.824 1.00 13.11 H new ATOM 0 HE ARG A 124 -7.558 4.087 6.799 1.00 0.14 H new ATOM 0 HH11 ARG A 124 -5.827 6.431 8.745 1.00 2.24 H new ATOM 0 HH12 ARG A 124 -5.555 5.272 10.050 1.00 2.24 H new ATOM 0 HH21 ARG A 124 -7.226 2.690 8.441 1.00 32.52 H new ATOM 0 HH22 ARG A 124 -6.333 3.193 9.880 1.00 32.52 H new ATOM 2083 N GLY A 125 -8.736 9.055 2.245 1.00 44.20 N ATOM 2084 CA GLY A 125 -8.755 10.260 1.422 1.00 22.13 C ATOM 2085 C GLY A 125 -7.410 10.985 1.385 1.00 31.22 C ATOM 2086 O GLY A 125 -7.360 12.201 1.190 1.00 51.40 O ATOM 0 H GLY A 125 -8.854 8.185 1.726 1.00 44.20 H new ATOM 0 HA2 GLY A 125 -9.045 9.993 0.406 1.00 22.13 H new ATOM 0 HA3 GLY A 125 -9.517 10.940 1.803 1.00 22.13 H new ATOM 2090 N LEU A 126 -6.320 10.239 1.564 1.00 53.24 N ATOM 2091 CA LEU A 126 -4.974 10.830 1.624 1.00 61.30 C ATOM 2092 C LEU A 126 -4.493 11.307 0.243 1.00 31.43 C ATOM 2093 O LEU A 126 -4.268 12.501 0.029 1.00 71.30 O ATOM 2094 CB LEU A 126 -3.967 9.817 2.198 1.00 30.34 C ATOM 2095 CG LEU A 126 -4.260 9.331 3.625 1.00 12.50 C ATOM 2096 CD1 LEU A 126 -3.235 8.285 4.061 1.00 61.32 C ATOM 2097 CD2 LEU A 126 -4.283 10.502 4.606 1.00 21.11 C ATOM 0 H LEU A 126 -6.338 9.225 1.670 1.00 53.24 H new ATOM 0 HA LEU A 126 -5.034 11.699 2.280 1.00 61.30 H new ATOM 0 HB2 LEU A 126 -3.933 8.951 1.537 1.00 30.34 H new ATOM 0 HB3 LEU A 126 -2.975 10.269 2.183 1.00 30.34 H new ATOM 0 HG LEU A 126 -5.246 8.867 3.627 1.00 12.50 H new ATOM 0 HD11 LEU A 126 -3.461 7.954 5.075 1.00 61.32 H new ATOM 0 HD12 LEU A 126 -3.275 7.432 3.384 1.00 61.32 H new ATOM 0 HD13 LEU A 126 -2.237 8.722 4.036 1.00 61.32 H new ATOM 0 HD21 LEU A 126 -4.492 10.132 5.610 1.00 21.11 H new ATOM 0 HD22 LEU A 126 -3.315 11.002 4.598 1.00 21.11 H new ATOM 0 HD23 LEU A 126 -5.059 11.209 4.311 1.00 21.11 H new ATOM 2109 N SER A 127 -4.349 10.378 -0.697 1.00 12.31 N ATOM 2110 CA SER A 127 -3.806 10.703 -2.023 1.00 63.43 C ATOM 2111 C SER A 127 -4.867 10.641 -3.128 1.00 70.20 C ATOM 2112 O SER A 127 -5.993 10.194 -2.910 1.00 72.35 O ATOM 2113 CB SER A 127 -2.657 9.756 -2.372 1.00 73.22 C ATOM 2114 OG SER A 127 -3.101 8.413 -2.481 1.00 52.23 O ATOM 0 H SER A 127 -4.598 9.397 -0.572 1.00 12.31 H new ATOM 0 HA SER A 127 -3.444 11.730 -1.969 1.00 63.43 H new ATOM 0 HB2 SER A 127 -2.202 10.067 -3.312 1.00 73.22 H new ATOM 0 HB3 SER A 127 -1.884 9.823 -1.606 1.00 73.22 H new ATOM 0 HG SER A 127 -3.129 8.004 -1.591 1.00 52.23 H new ATOM 2120 N ASN A 128 -4.484 11.101 -4.322 1.00 3.02 N ATOM 2121 CA ASN A 128 -5.371 11.105 -5.495 1.00 13.44 C ATOM 2122 C ASN A 128 -4.694 10.415 -6.694 1.00 13.41 C ATOM 2123 O ASN A 128 -3.465 10.407 -6.801 1.00 12.43 O ATOM 2124 CB ASN A 128 -5.735 12.546 -5.886 1.00 22.14 C ATOM 2125 CG ASN A 128 -6.223 13.371 -4.712 1.00 11.23 C ATOM 2126 OD1 ASN A 128 -7.407 13.405 -4.402 1.00 14.35 O ATOM 2127 ND2 ASN A 128 -5.310 14.055 -4.059 1.00 73.03 N ATOM 0 H ASN A 128 -3.555 11.480 -4.506 1.00 3.02 H new ATOM 0 HA ASN A 128 -6.276 10.558 -5.231 1.00 13.44 H new ATOM 0 HB2 ASN A 128 -4.862 13.029 -6.325 1.00 22.14 H new ATOM 0 HB3 ASN A 128 -6.508 12.524 -6.654 1.00 22.14 H new ATOM 0 HD21 ASN A 128 -5.579 14.638 -3.266 1.00 73.03 H new ATOM 0 HD22 ASN A 128 -4.332 14.003 -4.345 1.00 73.03 H new ATOM 2134 N PRO A 129 -5.481 9.828 -7.620 1.00 41.12 N ATOM 2135 CA PRO A 129 -4.930 9.195 -8.836 1.00 71.10 C ATOM 2136 C PRO A 129 -4.183 10.197 -9.734 1.00 23.52 C ATOM 2137 O PRO A 129 -3.204 9.849 -10.399 1.00 22.45 O ATOM 2138 CB PRO A 129 -6.177 8.642 -9.553 1.00 72.14 C ATOM 2139 CG PRO A 129 -7.325 9.408 -8.981 1.00 0.41 C ATOM 2140 CD PRO A 129 -6.951 9.710 -7.555 1.00 14.21 C ATOM 0 HA PRO A 129 -4.191 8.430 -8.597 1.00 71.10 H new ATOM 0 HB2 PRO A 129 -6.107 8.783 -10.632 1.00 72.14 H new ATOM 0 HB3 PRO A 129 -6.290 7.572 -9.378 1.00 72.14 H new ATOM 0 HG2 PRO A 129 -7.500 10.326 -9.542 1.00 0.41 H new ATOM 0 HG3 PRO A 129 -8.245 8.826 -9.028 1.00 0.41 H new ATOM 0 HD2 PRO A 129 -7.415 10.631 -7.201 1.00 14.21 H new ATOM 0 HD3 PRO A 129 -7.263 8.915 -6.878 1.00 14.21 H new ATOM 2148 N ASN A 130 -4.645 11.447 -9.732 1.00 71.33 N ATOM 2149 CA ASN A 130 -4.039 12.506 -10.546 1.00 25.24 C ATOM 2150 C ASN A 130 -2.600 12.802 -10.087 1.00 33.45 C ATOM 2151 O ASN A 130 -1.644 12.622 -10.847 1.00 32.32 O ATOM 2152 CB ASN A 130 -4.891 13.779 -10.471 1.00 25.40 C ATOM 2153 CG ASN A 130 -6.333 13.552 -10.907 1.00 1.23 C ATOM 2154 OD1 ASN A 130 -6.897 12.480 -10.721 1.00 12.50 O ATOM 2155 ND2 ASN A 130 -6.943 14.566 -11.485 1.00 4.20 N ATOM 0 H ASN A 130 -5.441 11.754 -9.173 1.00 71.33 H new ATOM 0 HA ASN A 130 -4.000 12.162 -11.580 1.00 25.24 H new ATOM 0 HB2 ASN A 130 -4.881 14.158 -9.449 1.00 25.40 H new ATOM 0 HB3 ASN A 130 -4.443 14.548 -11.100 1.00 25.40 H new ATOM 0 HD21 ASN A 130 -7.911 14.471 -11.791 1.00 4.20 H new ATOM 0 HD22 ASN A 130 -6.447 15.446 -11.626 1.00 4.20 H new ATOM 2162 N GLU A 131 -2.452 13.241 -8.834 1.00 34.11 N ATOM 2163 CA GLU A 131 -1.129 13.508 -8.256 1.00 51.44 C ATOM 2164 C GLU A 131 -0.220 12.264 -8.312 1.00 72.21 C ATOM 2165 O GLU A 131 0.997 12.381 -8.458 1.00 33.21 O ATOM 2166 CB GLU A 131 -1.267 13.995 -6.805 1.00 25.22 C ATOM 2167 CG GLU A 131 -1.899 12.977 -5.861 1.00 61.53 C ATOM 2168 CD GLU A 131 -2.075 13.515 -4.452 1.00 62.31 C ATOM 2169 OE1 GLU A 131 -2.542 14.663 -4.307 1.00 34.53 O ATOM 2170 OE2 GLU A 131 -1.783 12.784 -3.488 1.00 10.24 O ATOM 0 H GLU A 131 -3.231 13.419 -8.200 1.00 34.11 H new ATOM 0 HA GLU A 131 -0.662 14.290 -8.855 1.00 51.44 H new ATOM 0 HB2 GLU A 131 -0.280 14.260 -6.427 1.00 25.22 H new ATOM 0 HB3 GLU A 131 -1.867 14.905 -6.795 1.00 25.22 H new ATOM 0 HG2 GLU A 131 -2.870 12.676 -6.255 1.00 61.53 H new ATOM 0 HG3 GLU A 131 -1.277 12.082 -5.829 1.00 61.53 H new ATOM 2177 N LEU A 132 -0.821 11.077 -8.185 1.00 53.44 N ATOM 2178 CA LEU A 132 -0.084 9.807 -8.269 1.00 72.11 C ATOM 2179 C LEU A 132 0.731 9.709 -9.569 1.00 53.00 C ATOM 2180 O LEU A 132 1.934 9.436 -9.543 1.00 22.22 O ATOM 2181 CB LEU A 132 -1.065 8.626 -8.183 1.00 23.51 C ATOM 2182 CG LEU A 132 -0.428 7.228 -8.249 1.00 4.13 C ATOM 2183 CD1 LEU A 132 0.510 6.997 -7.066 1.00 5.22 C ATOM 2184 CD2 LEU A 132 -1.505 6.148 -8.303 1.00 0.25 C ATOM 0 H LEU A 132 -1.822 10.967 -8.023 1.00 53.44 H new ATOM 0 HA LEU A 132 0.612 9.771 -7.431 1.00 72.11 H new ATOM 0 HB2 LEU A 132 -1.623 8.708 -7.250 1.00 23.51 H new ATOM 0 HB3 LEU A 132 -1.786 8.716 -8.995 1.00 23.51 H new ATOM 0 HG LEU A 132 0.163 7.169 -9.163 1.00 4.13 H new ATOM 0 HD11 LEU A 132 0.947 6.001 -7.137 1.00 5.22 H new ATOM 0 HD12 LEU A 132 1.304 7.743 -7.080 1.00 5.22 H new ATOM 0 HD13 LEU A 132 -0.051 7.081 -6.135 1.00 5.22 H new ATOM 0 HD21 LEU A 132 -1.034 5.166 -8.349 1.00 0.25 H new ATOM 0 HD22 LEU A 132 -2.127 6.210 -7.410 1.00 0.25 H new ATOM 0 HD23 LEU A 132 -2.124 6.295 -9.188 1.00 0.25 H new ATOM 2196 N GLN A 133 0.067 9.936 -10.702 1.00 3.54 N ATOM 2197 CA GLN A 133 0.724 9.874 -12.014 1.00 5.22 C ATOM 2198 C GLN A 133 1.874 10.892 -12.108 1.00 23.21 C ATOM 2199 O GLN A 133 2.971 10.567 -12.576 1.00 51.42 O ATOM 2200 CB GLN A 133 -0.305 10.128 -13.127 1.00 25.44 C ATOM 2201 CG GLN A 133 0.252 10.001 -14.543 1.00 72.25 C ATOM 2202 CD GLN A 133 0.820 8.619 -14.839 1.00 74.14 C ATOM 2203 OE1 GLN A 133 0.107 7.718 -15.273 1.00 45.52 O ATOM 2204 NE2 GLN A 133 2.110 8.445 -14.626 1.00 65.14 N ATOM 0 H GLN A 133 -0.926 10.165 -10.741 1.00 3.54 H new ATOM 0 HA GLN A 133 1.148 8.877 -12.138 1.00 5.22 H new ATOM 0 HB2 GLN A 133 -1.130 9.425 -13.010 1.00 25.44 H new ATOM 0 HB3 GLN A 133 -0.719 11.129 -13.001 1.00 25.44 H new ATOM 0 HG2 GLN A 133 -0.539 10.224 -15.260 1.00 72.25 H new ATOM 0 HG3 GLN A 133 1.033 10.747 -14.688 1.00 72.25 H new ATOM 0 HE21 GLN A 133 2.675 9.213 -14.265 1.00 65.14 H new ATOM 0 HE22 GLN A 133 2.542 7.542 -14.823 1.00 65.14 H new ATOM 2213 N ALA A 134 1.614 12.117 -11.650 1.00 44.25 N ATOM 2214 CA ALA A 134 2.621 13.187 -11.655 1.00 0.43 C ATOM 2215 C ALA A 134 3.810 12.863 -10.733 1.00 13.30 C ATOM 2216 O ALA A 134 4.956 13.203 -11.035 1.00 73.41 O ATOM 2217 CB ALA A 134 1.978 14.508 -11.247 1.00 12.13 C ATOM 0 H ALA A 134 0.711 12.397 -11.268 1.00 44.25 H new ATOM 0 HA ALA A 134 3.011 13.271 -12.669 1.00 0.43 H new ATOM 0 HB1 ALA A 134 2.731 15.296 -11.253 1.00 12.13 H new ATOM 0 HB2 ALA A 134 1.184 14.759 -11.951 1.00 12.13 H new ATOM 0 HB3 ALA A 134 1.559 14.414 -10.245 1.00 12.13 H new ATOM 2223 N ALA A 135 3.527 12.207 -9.607 1.00 11.05 N ATOM 2224 CA ALA A 135 4.572 11.791 -8.662 1.00 2.14 C ATOM 2225 C ALA A 135 5.551 10.806 -9.316 1.00 14.42 C ATOM 2226 O ALA A 135 6.764 11.035 -9.354 1.00 23.13 O ATOM 2227 CB ALA A 135 3.939 11.149 -7.431 1.00 51.53 C ATOM 0 H ALA A 135 2.581 11.950 -9.324 1.00 11.05 H new ATOM 0 HA ALA A 135 5.129 12.679 -8.363 1.00 2.14 H new ATOM 0 HB1 ALA A 135 4.722 10.844 -6.737 1.00 51.53 H new ATOM 0 HB2 ALA A 135 3.281 11.868 -6.943 1.00 51.53 H new ATOM 0 HB3 ALA A 135 3.361 10.275 -7.733 1.00 51.53 H new ATOM 2233 N ILE A 136 5.001 9.716 -9.846 1.00 72.05 N ATOM 2234 CA ILE A 136 5.793 8.682 -10.521 1.00 53.03 C ATOM 2235 C ILE A 136 6.552 9.262 -11.722 1.00 54.24 C ATOM 2236 O ILE A 136 7.706 8.909 -11.976 1.00 33.53 O ATOM 2237 CB ILE A 136 4.876 7.525 -10.986 1.00 61.33 C ATOM 2238 CG1 ILE A 136 4.091 6.973 -9.785 1.00 21.11 C ATOM 2239 CG2 ILE A 136 5.690 6.417 -11.657 1.00 72.23 C ATOM 2240 CD1 ILE A 136 2.932 6.083 -10.167 1.00 70.34 C ATOM 0 H ILE A 136 4.000 9.522 -9.822 1.00 72.05 H new ATOM 0 HA ILE A 136 6.523 8.298 -9.808 1.00 53.03 H new ATOM 0 HB ILE A 136 4.172 7.910 -11.724 1.00 61.33 H new ATOM 0 HG12 ILE A 136 4.772 6.411 -9.146 1.00 21.11 H new ATOM 0 HG13 ILE A 136 3.715 7.808 -9.194 1.00 21.11 H new ATOM 0 HG21 ILE A 136 5.022 5.616 -11.974 1.00 72.23 H new ATOM 0 HG22 ILE A 136 6.209 6.822 -12.526 1.00 72.23 H new ATOM 0 HG23 ILE A 136 6.419 6.022 -10.950 1.00 72.23 H new ATOM 0 HD11 ILE A 136 2.429 5.734 -9.265 1.00 70.34 H new ATOM 0 HD12 ILE A 136 2.228 6.645 -10.781 1.00 70.34 H new ATOM 0 HD13 ILE A 136 3.301 5.227 -10.731 1.00 70.34 H new ATOM 2252 N ASP A 137 5.894 10.161 -12.448 1.00 63.44 N ATOM 2253 CA ASP A 137 6.522 10.890 -13.554 1.00 3.15 C ATOM 2254 C ASP A 137 7.786 11.626 -13.076 1.00 75.14 C ATOM 2255 O ASP A 137 8.880 11.441 -13.620 1.00 14.12 O ATOM 2256 CB ASP A 137 5.518 11.887 -14.137 1.00 62.12 C ATOM 2257 CG ASP A 137 6.084 12.680 -15.299 1.00 14.11 C ATOM 2258 OD1 ASP A 137 6.717 13.724 -15.059 1.00 2.22 O ATOM 2259 OD2 ASP A 137 5.890 12.265 -16.460 1.00 32.21 O ATOM 0 H ASP A 137 4.917 10.406 -12.291 1.00 63.44 H new ATOM 0 HA ASP A 137 6.818 10.178 -14.324 1.00 3.15 H new ATOM 0 HB2 ASP A 137 4.630 11.349 -14.469 1.00 62.12 H new ATOM 0 HB3 ASP A 137 5.200 12.575 -13.354 1.00 62.12 H new ATOM 2264 N SER A 138 7.625 12.445 -12.038 1.00 43.35 N ATOM 2265 CA SER A 138 8.744 13.203 -11.454 1.00 0.13 C ATOM 2266 C SER A 138 9.856 12.272 -10.950 1.00 10.21 C ATOM 2267 O SER A 138 11.037 12.618 -11.001 1.00 33.22 O ATOM 2268 CB SER A 138 8.245 14.093 -10.304 1.00 71.53 C ATOM 2269 OG SER A 138 7.298 15.048 -10.764 1.00 21.42 O ATOM 0 H SER A 138 6.729 12.605 -11.578 1.00 43.35 H new ATOM 0 HA SER A 138 9.161 13.831 -12.241 1.00 0.13 H new ATOM 0 HB2 SER A 138 7.792 13.472 -9.531 1.00 71.53 H new ATOM 0 HB3 SER A 138 9.090 14.607 -9.846 1.00 71.53 H new ATOM 0 HG SER A 138 6.436 14.607 -10.915 1.00 21.42 H new ATOM 2275 N ASN A 139 9.475 11.084 -10.473 1.00 61.34 N ATOM 2276 CA ASN A 139 10.454 10.086 -10.018 1.00 31.13 C ATOM 2277 C ASN A 139 11.289 9.542 -11.189 1.00 61.42 C ATOM 2278 O ASN A 139 12.453 9.182 -11.016 1.00 63.14 O ATOM 2279 CB ASN A 139 9.759 8.930 -9.286 1.00 61.04 C ATOM 2280 CG ASN A 139 9.264 9.312 -7.900 1.00 62.30 C ATOM 2281 OD1 ASN A 139 8.880 10.559 -7.707 1.00 11.31 O flip ATOM 2282 ND2 ASN A 139 9.235 8.487 -6.999 1.00 63.02 N flip ATOM 0 H ASN A 139 8.502 10.788 -10.391 1.00 61.34 H new ATOM 0 HA ASN A 139 11.128 10.587 -9.323 1.00 31.13 H new ATOM 0 HB2 ASN A 139 8.916 8.584 -9.884 1.00 61.04 H new ATOM 0 HB3 ASN A 139 10.453 8.094 -9.200 1.00 61.04 H new ATOM 0 HD21 ASN A 139 9.538 7.529 -7.175 1.00 63.02 H new ATOM 0 HD22 ASN A 139 8.908 8.756 -6.071 1.00 63.02 H new ATOM 2289 N ARG A 140 10.689 9.474 -12.379 1.00 4.24 N ATOM 2290 CA ARG A 140 11.422 9.068 -13.589 1.00 72.14 C ATOM 2291 C ARG A 140 12.415 10.160 -14.018 1.00 63.02 C ATOM 2292 O ARG A 140 13.466 9.877 -14.596 1.00 70.11 O ATOM 2293 CB ARG A 140 10.453 8.780 -14.743 1.00 21.22 C ATOM 2294 CG ARG A 140 9.433 7.685 -14.447 1.00 1.44 C ATOM 2295 CD ARG A 140 8.558 7.387 -15.661 1.00 70.11 C ATOM 2296 NE ARG A 140 7.890 8.585 -16.169 1.00 65.22 N ATOM 2297 CZ ARG A 140 6.696 8.593 -16.691 1.00 52.20 C ATOM 2298 NH1 ARG A 140 6.014 7.499 -16.798 1.00 52.34 N ATOM 2299 NH2 ARG A 140 6.183 9.696 -17.114 1.00 13.44 N ATOM 0 H ARG A 140 9.705 9.692 -12.535 1.00 4.24 H new ATOM 0 HA ARG A 140 11.973 8.158 -13.351 1.00 72.14 H new ATOM 0 HB2 ARG A 140 9.921 9.698 -14.993 1.00 21.22 H new ATOM 0 HB3 ARG A 140 11.029 8.495 -15.623 1.00 21.22 H new ATOM 0 HG2 ARG A 140 9.952 6.777 -14.141 1.00 1.44 H new ATOM 0 HG3 ARG A 140 8.804 7.990 -13.611 1.00 1.44 H new ATOM 0 HD2 ARG A 140 9.171 6.953 -16.451 1.00 70.11 H new ATOM 0 HD3 ARG A 140 7.809 6.642 -15.393 1.00 70.11 H new ATOM 0 HE ARG A 140 8.391 9.471 -16.111 1.00 65.22 H new ATOM 0 HH11 ARG A 140 6.410 6.617 -16.472 1.00 52.34 H new ATOM 0 HH12 ARG A 140 5.080 7.518 -17.208 1.00 52.34 H new ATOM 0 HH21 ARG A 140 6.711 10.565 -17.041 1.00 13.44 H new ATOM 0 HH22 ARG A 140 5.248 9.700 -17.522 1.00 13.44 H new ATOM 2313 N ARG A 141 12.057 11.410 -13.736 1.00 31.45 N ATOM 2314 CA ARG A 141 12.925 12.555 -14.023 1.00 63.24 C ATOM 2315 C ARG A 141 14.129 12.583 -13.062 1.00 52.34 C ATOM 2316 O ARG A 141 15.199 13.097 -13.396 1.00 23.43 O ATOM 2317 CB ARG A 141 12.112 13.853 -13.914 1.00 55.44 C ATOM 2318 CG ARG A 141 12.843 15.093 -14.418 1.00 35.13 C ATOM 2319 CD ARG A 141 11.953 16.332 -14.355 1.00 14.20 C ATOM 2320 NE ARG A 141 12.574 17.492 -14.988 1.00 73.05 N ATOM 2321 CZ ARG A 141 11.942 18.597 -15.273 1.00 52.25 C ATOM 2322 NH1 ARG A 141 10.698 18.755 -14.946 1.00 52.13 N ATOM 2323 NH2 ARG A 141 12.560 19.553 -15.881 1.00 63.13 N ATOM 0 H ARG A 141 11.166 11.659 -13.306 1.00 31.45 H new ATOM 0 HA ARG A 141 13.313 12.462 -15.037 1.00 63.24 H new ATOM 0 HB2 ARG A 141 11.186 13.737 -14.477 1.00 55.44 H new ATOM 0 HB3 ARG A 141 11.834 14.008 -12.872 1.00 55.44 H new ATOM 0 HG2 ARG A 141 13.739 15.257 -13.819 1.00 35.13 H new ATOM 0 HG3 ARG A 141 13.171 14.931 -15.445 1.00 35.13 H new ATOM 0 HD2 ARG A 141 11.002 16.119 -14.844 1.00 14.20 H new ATOM 0 HD3 ARG A 141 11.731 16.565 -13.314 1.00 14.20 H new ATOM 0 HE ARG A 141 13.565 17.435 -15.222 1.00 73.05 H new ATOM 0 HH11 ARG A 141 10.200 18.010 -14.459 1.00 52.13 H new ATOM 0 HH12 ARG A 141 10.217 19.625 -15.175 1.00 52.13 H new ATOM 0 HH21 ARG A 141 13.541 19.444 -16.138 1.00 63.13 H new ATOM 0 HH22 ARG A 141 12.067 20.418 -16.105 1.00 63.13 H new