USER MOD reduce.3.24.130724 H: found=0, std=0, add=1256, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1051 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 462 CYS SG : rot 140:sc= -1.29 USER MOD Set 1.2: A 500 SER OG : rot -170:sc= -0.0646 USER MOD Set 1.3: A 503 THR OG1 : rot 150:sc= 0 USER MOD Set 2.1: A 476 ASN : amide:sc= -6.7! C(o=-15!,f=-14!) USER MOD Set 2.2: A 480 GLN : amide:sc= -7.83! C(o=-15!,f=-14!) USER MOD Set 3.1: A 443 GLN : amide:sc= -3.36 K(o=-3.5,f=-5.3!) USER MOD Set 3.2: A 475 SER OG : rot 130:sc= -0.17 USER MOD Set 4.1: A 471 GLN : amide:sc= -1.93 X(o=-7.1,f=-7.6) USER MOD Set 4.2: A 474 MET CE :methyl -153:sc= -5.2! (180deg=-6.6!) USER MOD Set 5.1: A 458 SER OG : rot -95:sc= -0.251 USER MOD Set 5.2: A 494 SER OG : rot -46:sc= 0.585 USER MOD Set 5.3: A 498 GLN : amide:sc= -0.904 K(o=-0.57,f=-6.2!) USER MOD Set 6.1: A 401 HIS : no HD1:sc= -7.68! C(o=-7.7!,f=-10!) USER MOD Set 6.2: A 426 THR OG1 : rot 180:sc= 0 USER MOD Single : A 386 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 388 SER OG : rot 180:sc= 0 USER MOD Single : A 389 SER OG : rot 180:sc= 0 USER MOD Single : A 390 SER OG : rot 180:sc= 0 USER MOD Single : A 392 GLN : amide:sc= -4.2! C(o=-4.2!,f=-5.8!) USER MOD Single : A 393 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 395 TYR OH : rot 111:sc= -0.842 USER MOD Single : A 396 ASN :FLIP amide:sc= -8.01! C(o=-10!,f=-8!) USER MOD Single : A 407 HIS :FLIP no HD1:sc= -1.34 F(o=-1.9!,f=-1.3) USER MOD Single : A 415 LYS NZ :NH3+ -112:sc= 0.3 (180deg=-0.0876) USER MOD Single : A 428 CYS SG : rot 180:sc= 0 USER MOD Single : A 432 GLN : amide:sc= -0.0018 X(o=-0.0018,f=-0.09) USER MOD Single : A 434 HIS :FLIP no HE2:sc= -0.119 F(o=-0.91,f=-0.12) USER MOD Single : A 440 SER OG : rot 180:sc= 0 USER MOD Single : A 441 CYS SG : rot 180:sc= -0.0476 USER MOD Single : A 448 HIS : no HD1:sc= -0.0185 X(o=-0.019,f=-0.17) USER MOD Single : A 449 SER OG : rot 180:sc= -0.217 USER MOD Single : A 457 THR OG1 : rot -174:sc= 0.568 USER MOD Single : A 459 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.32) USER MOD Single : A 465 SER OG : rot -71:sc= 0.537 USER MOD Single : A 467 HIS : no HE2:sc= -9.75! C(o=-9.7!,f=-12!) USER MOD Single : A 468 GLN : amide:sc= -4.84! C(o=-4.8!,f=-9.9!) USER MOD Single : A 470 ASN :FLIP amide:sc= -4.89! C(o=-9!,f=-4.9!) USER MOD Single : A 473 MET CE :methyl -156:sc= -3.96! (180deg=-5.07!) USER MOD Single : A 478 THR OG1 : rot -36:sc= 0.142 USER MOD Single : A 482 SER OG : rot 43:sc= 0.893 USER MOD Single : A 485 CYS SG : rot -116:sc= -0.137 USER MOD Single : A 495 SER OG : rot 180:sc= 0 USER MOD Single : A 501 SER OG : rot -4:sc= 0.124! USER MOD Single : A 505 SER OG : rot 180:sc= 0 USER MOD Single : A 508 SER OG : rot 180:sc= -0.0138 USER MOD Single : A 516 HIS : no HD1:sc= -2.65! X(o=-2.7!,f=-2.5) USER MOD Single : A 517 SER OG : rot 180:sc= -1.21 USER MOD Single : A 518 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 523 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 526 ASN : amide:sc= -3.63! C(o=-3.6!,f=-4.8!) USER MOD Single : A 527 THR OG1 : rot -150:sc= 0 USER MOD Single : A 529 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 531 HIS :FLIP no HD1:sc= -7.84! C(o=-9.6!,f=-7.8!) USER MOD Single : A 534 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.57) USER MOD Single : A 537 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 539 MET CE :methyl -173:sc= 0 (180deg=-0.0481) USER MOD Single : A 542 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 544 GLN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 386 -15.992 22.372 12.837 1.00 24.15 N ATOM 2 CA MET A 386 -15.591 21.347 11.888 1.00 71.22 C ATOM 3 C MET A 386 -14.381 21.805 11.069 1.00 31.15 C ATOM 4 O MET A 386 -14.264 22.982 10.734 1.00 10.44 O ATOM 5 CB MET A 386 -16.755 21.036 10.948 1.00 30.11 C ATOM 6 CG MET A 386 -17.452 22.320 10.492 1.00 31.12 C ATOM 7 SD MET A 386 -18.984 21.923 9.668 1.00 53.15 S ATOM 8 CE MET A 386 -20.116 22.037 11.044 1.00 70.32 C ATOM 0 HA MET A 386 -15.314 20.451 12.444 1.00 71.22 H new ATOM 0 HB2 MET A 386 -16.389 20.489 10.079 1.00 30.11 H new ATOM 0 HB3 MET A 386 -17.472 20.389 11.453 1.00 30.11 H new ATOM 0 HG2 MET A 386 -17.647 22.962 11.351 1.00 31.12 H new ATOM 0 HG3 MET A 386 -16.801 22.877 9.818 1.00 31.12 H new ATOM 0 HE1 MET A 386 -21.127 21.816 10.702 1.00 70.32 H new ATOM 0 HE2 MET A 386 -19.828 21.320 11.812 1.00 70.32 H new ATOM 0 HE3 MET A 386 -20.085 23.045 11.458 1.00 70.32 H new ATOM 16 N GLU A 387 -13.514 20.849 10.769 1.00 24.41 N ATOM 17 CA GLU A 387 -12.318 21.139 9.996 1.00 10.10 C ATOM 18 C GLU A 387 -12.429 20.524 8.599 1.00 64.40 C ATOM 19 O GLU A 387 -12.292 19.312 8.438 1.00 13.43 O ATOM 20 CB GLU A 387 -11.064 20.640 10.716 1.00 24.01 C ATOM 21 CG GLU A 387 -11.373 19.403 11.562 1.00 32.31 C ATOM 22 CD GLU A 387 -10.116 18.898 12.274 1.00 43.24 C ATOM 23 OE1 GLU A 387 -9.226 19.697 12.602 1.00 51.01 O ATOM 24 OE2 GLU A 387 -10.084 17.626 12.487 1.00 31.21 O ATOM 0 H GLU A 387 -13.616 19.873 11.047 1.00 24.41 H new ATOM 0 HA GLU A 387 -12.230 22.220 9.891 1.00 10.10 H new ATOM 0 HB2 GLU A 387 -10.291 20.401 9.985 1.00 24.01 H new ATOM 0 HB3 GLU A 387 -10.667 21.431 11.353 1.00 24.01 H new ATOM 0 HG2 GLU A 387 -12.140 19.644 12.298 1.00 32.31 H new ATOM 0 HG3 GLU A 387 -11.777 18.615 10.926 1.00 32.31 H new ATOM 30 N SER A 388 -12.673 21.389 7.625 1.00 21.35 N ATOM 31 CA SER A 388 -12.803 20.946 6.247 1.00 4.41 C ATOM 32 C SER A 388 -11.522 21.262 5.472 1.00 61.23 C ATOM 33 O SER A 388 -11.514 21.240 4.243 1.00 71.23 O ATOM 34 CB SER A 388 -14.008 21.602 5.569 1.00 2.41 C ATOM 35 OG SER A 388 -13.816 23.000 5.375 1.00 34.15 O ATOM 0 H SER A 388 -12.784 22.394 7.763 1.00 21.35 H new ATOM 0 HA SER A 388 -12.963 19.868 6.249 1.00 4.41 H new ATOM 0 HB2 SER A 388 -14.187 21.124 4.606 1.00 2.41 H new ATOM 0 HB3 SER A 388 -14.899 21.439 6.176 1.00 2.41 H new ATOM 0 HG SER A 388 -14.606 23.381 4.938 1.00 34.15 H new ATOM 40 N SER A 389 -10.470 21.549 6.225 1.00 22.41 N ATOM 41 CA SER A 389 -9.186 21.869 5.625 1.00 12.15 C ATOM 42 C SER A 389 -8.086 21.008 6.251 1.00 12.21 C ATOM 43 O SER A 389 -6.904 21.331 6.145 1.00 50.43 O ATOM 44 CB SER A 389 -8.855 23.355 5.789 1.00 2.34 C ATOM 45 OG SER A 389 -9.611 24.170 4.897 1.00 63.33 O ATOM 0 H SER A 389 -10.481 21.567 7.245 1.00 22.41 H new ATOM 0 HA SER A 389 -9.245 21.653 4.558 1.00 12.15 H new ATOM 0 HB2 SER A 389 -9.054 23.660 6.816 1.00 2.34 H new ATOM 0 HB3 SER A 389 -7.791 23.512 5.611 1.00 2.34 H new ATOM 0 HG SER A 389 -9.373 25.111 5.033 1.00 63.33 H new ATOM 50 N SER A 390 -8.515 19.930 6.890 1.00 12.31 N ATOM 51 CA SER A 390 -7.581 19.021 7.532 1.00 45.55 C ATOM 52 C SER A 390 -6.496 18.598 6.542 1.00 32.14 C ATOM 53 O SER A 390 -6.778 18.371 5.365 1.00 51.14 O ATOM 54 CB SER A 390 -8.304 17.791 8.086 1.00 51.52 C ATOM 55 OG SER A 390 -7.403 16.719 8.356 1.00 54.15 O ATOM 0 H SER A 390 -9.496 19.666 6.977 1.00 12.31 H new ATOM 0 HA SER A 390 -7.115 19.543 8.368 1.00 45.55 H new ATOM 0 HB2 SER A 390 -8.831 18.061 9.001 1.00 51.52 H new ATOM 0 HB3 SER A 390 -9.057 17.460 7.371 1.00 51.52 H new ATOM 0 HG SER A 390 -7.902 15.953 8.709 1.00 54.15 H new ATOM 60 N GLU A 391 -5.277 18.502 7.052 1.00 44.24 N ATOM 61 CA GLU A 391 -4.147 18.110 6.226 1.00 2.20 C ATOM 62 C GLU A 391 -4.029 16.586 6.180 1.00 11.03 C ATOM 63 O GLU A 391 -4.814 15.879 6.808 1.00 11.45 O ATOM 64 CB GLU A 391 -2.851 18.747 6.734 1.00 31.23 C ATOM 65 CG GLU A 391 -2.318 18.002 7.959 1.00 43.31 C ATOM 66 CD GLU A 391 -1.556 18.950 8.887 1.00 24.25 C ATOM 67 OE1 GLU A 391 -2.158 19.550 9.791 1.00 53.11 O ATOM 68 OE2 GLU A 391 -0.293 19.052 8.646 1.00 54.10 O ATOM 0 H GLU A 391 -5.047 18.689 8.028 1.00 44.24 H new ATOM 0 HA GLU A 391 -4.318 18.472 5.212 1.00 2.20 H new ATOM 0 HB2 GLU A 391 -2.102 18.736 5.943 1.00 31.23 H new ATOM 0 HB3 GLU A 391 -3.030 19.792 6.989 1.00 31.23 H new ATOM 0 HG2 GLU A 391 -3.146 17.545 8.500 1.00 43.31 H new ATOM 0 HG3 GLU A 391 -1.661 17.193 7.640 1.00 43.31 H new ATOM 74 N GLN A 392 -3.040 16.124 5.428 1.00 72.45 N ATOM 75 CA GLN A 392 -2.808 14.697 5.291 1.00 22.34 C ATOM 76 C GLN A 392 -1.394 14.342 5.750 1.00 63.44 C ATOM 77 O GLN A 392 -0.616 15.223 6.117 1.00 31.21 O ATOM 78 CB GLN A 392 -3.047 14.238 3.851 1.00 13.24 C ATOM 79 CG GLN A 392 -4.525 13.915 3.617 1.00 34.32 C ATOM 80 CD GLN A 392 -5.165 14.932 2.672 1.00 54.42 C ATOM 81 OE1 GLN A 392 -5.794 14.591 1.683 1.00 71.13 O ATOM 82 NE2 GLN A 392 -4.972 16.199 3.029 1.00 34.11 N ATOM 0 H GLN A 392 -2.390 16.714 4.907 1.00 72.45 H new ATOM 0 HA GLN A 392 -3.519 14.171 5.929 1.00 22.34 H new ATOM 0 HB2 GLN A 392 -2.727 15.017 3.159 1.00 13.24 H new ATOM 0 HB3 GLN A 392 -2.441 13.357 3.641 1.00 13.24 H new ATOM 0 HG2 GLN A 392 -4.620 12.913 3.198 1.00 34.32 H new ATOM 0 HG3 GLN A 392 -5.056 13.914 4.569 1.00 34.32 H new ATOM 0 HE21 GLN A 392 -4.436 16.416 3.869 1.00 34.11 H new ATOM 0 HE22 GLN A 392 -5.360 16.953 2.463 1.00 34.11 H new ATOM 89 N LYS A 393 -1.101 13.050 5.718 1.00 31.30 N ATOM 90 CA LYS A 393 0.207 12.568 6.127 1.00 72.21 C ATOM 91 C LYS A 393 0.935 11.989 4.913 1.00 74.21 C ATOM 92 O LYS A 393 0.302 11.579 3.942 1.00 71.01 O ATOM 93 CB LYS A 393 0.077 11.585 7.291 1.00 21.14 C ATOM 94 CG LYS A 393 1.440 11.006 7.678 1.00 71.14 C ATOM 95 CD LYS A 393 2.342 12.087 8.281 1.00 72.40 C ATOM 96 CE LYS A 393 1.868 12.476 9.682 1.00 75.11 C ATOM 97 NZ LYS A 393 2.567 11.670 10.708 1.00 71.53 N ATOM 0 H LYS A 393 -1.748 12.322 5.415 1.00 31.30 H new ATOM 0 HA LYS A 393 0.815 13.391 6.502 1.00 72.21 H new ATOM 0 HB2 LYS A 393 -0.364 12.090 8.150 1.00 21.14 H new ATOM 0 HB3 LYS A 393 -0.600 10.777 7.014 1.00 21.14 H new ATOM 0 HG2 LYS A 393 1.305 10.197 8.396 1.00 71.14 H new ATOM 0 HG3 LYS A 393 1.920 10.575 6.799 1.00 71.14 H new ATOM 0 HD2 LYS A 393 3.369 11.724 8.328 1.00 72.40 H new ATOM 0 HD3 LYS A 393 2.343 12.966 7.636 1.00 72.40 H new ATOM 0 HE2 LYS A 393 2.055 13.536 9.854 1.00 75.11 H new ATOM 0 HE3 LYS A 393 0.792 12.325 9.763 1.00 75.11 H new ATOM 0 HZ1 LYS A 393 2.234 11.947 11.653 1.00 71.53 H new ATOM 0 HZ2 LYS A 393 2.368 10.661 10.552 1.00 71.53 H new ATOM 0 HZ3 LYS A 393 3.592 11.835 10.640 1.00 71.53 H new ATOM 106 N PHE A 394 2.259 11.975 5.006 1.00 2.43 N ATOM 107 CA PHE A 394 3.079 11.453 3.928 1.00 13.13 C ATOM 108 C PHE A 394 3.282 9.943 4.073 1.00 20.34 C ATOM 109 O PHE A 394 3.796 9.478 5.089 1.00 23.04 O ATOM 110 CB PHE A 394 4.437 12.149 4.023 1.00 73.24 C ATOM 111 CG PHE A 394 5.581 11.376 3.363 1.00 25.34 C ATOM 112 CD1 PHE A 394 5.405 10.816 2.136 1.00 70.24 C ATOM 113 CD2 PHE A 394 6.774 11.247 4.004 1.00 1.43 C ATOM 114 CE1 PHE A 394 6.466 10.098 1.524 1.00 63.23 C ATOM 115 CE2 PHE A 394 7.835 10.528 3.394 1.00 15.44 C ATOM 116 CZ PHE A 394 7.659 9.969 2.166 1.00 50.44 C ATOM 0 H PHE A 394 2.782 12.317 5.812 1.00 2.43 H new ATOM 0 HA PHE A 394 2.593 11.636 2.970 1.00 13.13 H new ATOM 0 HB2 PHE A 394 4.362 13.133 3.560 1.00 73.24 H new ATOM 0 HB3 PHE A 394 4.679 12.309 5.074 1.00 73.24 H new ATOM 0 HD1 PHE A 394 4.458 10.918 1.627 1.00 70.24 H new ATOM 0 HD2 PHE A 394 6.914 11.692 4.978 1.00 1.43 H new ATOM 0 HE1 PHE A 394 6.326 9.654 0.549 1.00 63.23 H new ATOM 0 HE2 PHE A 394 8.781 10.425 3.904 1.00 15.44 H new ATOM 0 HZ PHE A 394 8.466 9.423 1.701 1.00 50.44 H new ATOM 125 N TYR A 395 2.866 9.220 3.043 1.00 40.44 N ATOM 126 CA TYR A 395 2.996 7.773 3.044 1.00 4.35 C ATOM 127 C TYR A 395 3.866 7.299 1.877 1.00 61.12 C ATOM 128 O TYR A 395 4.066 8.034 0.911 1.00 22.34 O ATOM 129 CB TYR A 395 1.580 7.222 2.864 1.00 41.33 C ATOM 130 CG TYR A 395 0.560 7.796 3.850 1.00 21.35 C ATOM 131 CD1 TYR A 395 0.957 8.160 5.121 1.00 11.11 C ATOM 132 CD2 TYR A 395 -0.758 7.947 3.470 1.00 41.53 C ATOM 133 CE1 TYR A 395 -0.003 8.697 6.049 1.00 74.05 C ATOM 134 CE2 TYR A 395 -1.718 8.486 4.399 1.00 11.31 C ATOM 135 CZ TYR A 395 -1.293 8.834 5.642 1.00 52.55 C ATOM 136 OH TYR A 395 -2.199 9.343 6.519 1.00 43.44 O ATOM 0 H TYR A 395 2.439 9.609 2.203 1.00 40.44 H new ATOM 0 HA TYR A 395 3.464 7.431 3.967 1.00 4.35 H new ATOM 0 HB2 TYR A 395 1.246 7.432 1.848 1.00 41.33 H new ATOM 0 HB3 TYR A 395 1.606 6.138 2.974 1.00 41.33 H new ATOM 0 HD1 TYR A 395 1.988 8.042 5.419 1.00 11.11 H new ATOM 0 HD2 TYR A 395 -1.070 7.661 2.476 1.00 41.53 H new ATOM 0 HE1 TYR A 395 0.295 8.985 7.046 1.00 74.05 H new ATOM 0 HE2 TYR A 395 -2.752 8.611 4.114 1.00 11.31 H new ATOM 0 HH TYR A 395 -2.480 10.233 6.219 1.00 43.44 H new ATOM 145 N ASN A 396 4.361 6.078 2.008 1.00 5.42 N ATOM 146 CA ASN A 396 5.204 5.498 0.977 1.00 65.11 C ATOM 147 C ASN A 396 4.489 4.297 0.354 1.00 61.00 C ATOM 148 O ASN A 396 4.916 3.785 -0.679 1.00 54.21 O ATOM 149 CB ASN A 396 6.530 5.008 1.562 1.00 2.03 C ATOM 150 CG ASN A 396 7.489 6.174 1.806 1.00 55.41 C ATOM 151 OD1 ASN A 396 8.769 5.821 1.862 1.00 35.43 O flip ATOM 152 ND2 ASN A 396 7.091 7.321 1.933 1.00 54.41 N flip ATOM 0 H ASN A 396 4.195 5.474 2.813 1.00 5.42 H new ATOM 0 HA ASN A 396 5.401 6.267 0.230 1.00 65.11 H new ATOM 0 HB2 ASN A 396 6.345 4.483 2.499 1.00 2.03 H new ATOM 0 HB3 ASN A 396 6.989 4.292 0.880 1.00 2.03 H new ATOM 0 HD21 ASN A 396 6.093 7.523 1.879 1.00 54.41 H new ATOM 0 HD22 ASN A 396 7.757 8.077 2.093 1.00 54.41 H new ATOM 158 N PHE A 397 3.415 3.884 1.009 1.00 3.45 N ATOM 159 CA PHE A 397 2.637 2.754 0.533 1.00 1.34 C ATOM 160 C PHE A 397 1.449 2.477 1.456 1.00 63.12 C ATOM 161 O PHE A 397 1.630 2.081 2.606 1.00 25.31 O ATOM 162 CB PHE A 397 3.565 1.537 0.537 1.00 3.31 C ATOM 163 CG PHE A 397 4.153 1.209 1.911 1.00 21.35 C ATOM 164 CD1 PHE A 397 5.192 1.938 2.398 1.00 54.04 C ATOM 165 CD2 PHE A 397 3.636 0.187 2.645 1.00 62.04 C ATOM 166 CE1 PHE A 397 5.737 1.634 3.674 1.00 51.32 C ATOM 167 CE2 PHE A 397 4.183 -0.118 3.919 1.00 44.22 C ATOM 168 CZ PHE A 397 5.220 0.613 4.407 1.00 71.41 C ATOM 0 H PHE A 397 3.065 4.312 1.866 1.00 3.45 H new ATOM 0 HA PHE A 397 2.247 2.965 -0.463 1.00 1.34 H new ATOM 0 HB2 PHE A 397 3.013 0.671 0.173 1.00 3.31 H new ATOM 0 HB3 PHE A 397 4.381 1.713 -0.164 1.00 3.31 H new ATOM 0 HD1 PHE A 397 5.603 2.749 1.815 1.00 54.04 H new ATOM 0 HD2 PHE A 397 2.810 -0.392 2.259 1.00 62.04 H new ATOM 0 HE1 PHE A 397 6.562 2.214 4.061 1.00 51.32 H new ATOM 0 HE2 PHE A 397 3.775 -0.931 4.501 1.00 44.22 H new ATOM 0 HZ PHE A 397 5.633 0.382 5.378 1.00 71.41 H new ATOM 177 N VAL A 398 0.258 2.696 0.918 1.00 11.41 N ATOM 178 CA VAL A 398 -0.960 2.475 1.678 1.00 64.14 C ATOM 179 C VAL A 398 -1.304 0.985 1.661 1.00 3.54 C ATOM 180 O VAL A 398 -1.703 0.449 0.627 1.00 24.21 O ATOM 181 CB VAL A 398 -2.086 3.355 1.133 1.00 41.34 C ATOM 182 CG1 VAL A 398 -3.454 2.734 1.416 1.00 11.31 C ATOM 183 CG2 VAL A 398 -1.999 4.774 1.702 1.00 24.14 C ATOM 0 H VAL A 398 0.111 3.025 -0.036 1.00 11.41 H new ATOM 0 HA VAL A 398 -0.817 2.764 2.719 1.00 64.14 H new ATOM 0 HB VAL A 398 -1.965 3.420 0.052 1.00 41.34 H new ATOM 0 HG11 VAL A 398 -4.236 3.380 1.018 1.00 11.31 H new ATOM 0 HG12 VAL A 398 -3.515 1.755 0.940 1.00 11.31 H new ATOM 0 HG13 VAL A 398 -3.588 2.623 2.492 1.00 11.31 H new ATOM 0 HG21 VAL A 398 -2.811 5.378 1.298 1.00 24.14 H new ATOM 0 HG22 VAL A 398 -2.080 4.736 2.788 1.00 24.14 H new ATOM 0 HG23 VAL A 398 -1.043 5.219 1.425 1.00 24.14 H new ATOM 193 N ILE A 399 -1.138 0.358 2.816 1.00 50.30 N ATOM 194 CA ILE A 399 -1.428 -1.060 2.946 1.00 33.24 C ATOM 195 C ILE A 399 -2.940 -1.260 3.058 1.00 2.04 C ATOM 196 O ILE A 399 -3.505 -1.152 4.145 1.00 64.21 O ATOM 197 CB ILE A 399 -0.640 -1.663 4.111 1.00 43.00 C ATOM 198 CG1 ILE A 399 0.864 -1.624 3.835 1.00 60.12 C ATOM 199 CG2 ILE A 399 -1.127 -3.077 4.429 1.00 4.53 C ATOM 200 CD1 ILE A 399 1.664 -1.887 5.112 1.00 70.25 C ATOM 0 H ILE A 399 -0.806 0.806 3.670 1.00 50.30 H new ATOM 0 HA ILE A 399 -1.101 -1.598 2.057 1.00 33.24 H new ATOM 0 HB ILE A 399 -0.821 -1.053 4.996 1.00 43.00 H new ATOM 0 HG12 ILE A 399 1.118 -2.370 3.082 1.00 60.12 H new ATOM 0 HG13 ILE A 399 1.137 -0.652 3.425 1.00 60.12 H new ATOM 0 HG21 ILE A 399 -0.550 -3.482 5.261 1.00 4.53 H new ATOM 0 HG22 ILE A 399 -2.182 -3.046 4.700 1.00 4.53 H new ATOM 0 HG23 ILE A 399 -0.996 -3.712 3.553 1.00 4.53 H new ATOM 0 HD11 ILE A 399 2.730 -1.854 4.887 1.00 70.25 H new ATOM 0 HD12 ILE A 399 1.426 -1.125 5.854 1.00 70.25 H new ATOM 0 HD13 ILE A 399 1.407 -2.870 5.506 1.00 70.25 H new ATOM 211 N LEU A 400 -3.553 -1.549 1.920 1.00 14.01 N ATOM 212 CA LEU A 400 -4.989 -1.765 1.876 1.00 53.22 C ATOM 213 C LEU A 400 -5.305 -3.170 2.393 1.00 52.01 C ATOM 214 O LEU A 400 -4.962 -4.163 1.751 1.00 55.03 O ATOM 215 CB LEU A 400 -5.530 -1.490 0.472 1.00 52.41 C ATOM 216 CG LEU A 400 -7.049 -1.349 0.354 1.00 62.22 C ATOM 217 CD1 LEU A 400 -7.584 -0.322 1.355 1.00 13.44 C ATOM 218 CD2 LEU A 400 -7.459 -1.016 -1.082 1.00 10.44 C ATOM 0 H LEU A 400 -3.081 -1.639 1.020 1.00 14.01 H new ATOM 0 HA LEU A 400 -5.500 -1.061 2.532 1.00 53.22 H new ATOM 0 HB2 LEU A 400 -5.070 -0.575 0.100 1.00 52.41 H new ATOM 0 HB3 LEU A 400 -5.208 -2.298 -0.185 1.00 52.41 H new ATOM 0 HG LEU A 400 -7.501 -2.309 0.604 1.00 62.22 H new ATOM 0 HD11 LEU A 400 -8.666 -0.241 1.250 1.00 13.44 H new ATOM 0 HD12 LEU A 400 -7.341 -0.641 2.369 1.00 13.44 H new ATOM 0 HD13 LEU A 400 -7.127 0.648 1.160 1.00 13.44 H new ATOM 0 HD21 LEU A 400 -8.543 -0.921 -1.138 1.00 10.44 H new ATOM 0 HD22 LEU A 400 -6.997 -0.076 -1.384 1.00 10.44 H new ATOM 0 HD23 LEU A 400 -7.129 -1.813 -1.749 1.00 10.44 H new ATOM 229 N HIS A 401 -5.954 -3.211 3.545 1.00 4.31 N ATOM 230 CA HIS A 401 -6.320 -4.477 4.155 1.00 25.42 C ATOM 231 C HIS A 401 -7.739 -4.387 4.718 1.00 43.53 C ATOM 232 O HIS A 401 -8.499 -3.491 4.353 1.00 62.12 O ATOM 233 CB HIS A 401 -5.290 -4.892 5.208 1.00 5.22 C ATOM 234 CG HIS A 401 -5.324 -4.053 6.463 1.00 63.11 C ATOM 235 ND1 HIS A 401 -6.050 -4.412 7.585 1.00 41.14 N ATOM 236 CD2 HIS A 401 -4.714 -2.870 6.762 1.00 22.44 C ATOM 237 CE1 HIS A 401 -5.877 -3.479 8.511 1.00 64.10 C ATOM 238 NE2 HIS A 401 -5.050 -2.525 7.998 1.00 74.13 N ATOM 0 H HIS A 401 -6.237 -2.386 4.074 1.00 4.31 H new ATOM 0 HA HIS A 401 -6.317 -5.261 3.398 1.00 25.42 H new ATOM 0 HB2 HIS A 401 -5.459 -5.935 5.476 1.00 5.22 H new ATOM 0 HB3 HIS A 401 -4.294 -4.833 4.770 1.00 5.22 H new ATOM 0 HD2 HIS A 401 -4.067 -2.309 6.104 1.00 22.44 H new ATOM 0 HE1 HIS A 401 -6.315 -3.476 9.498 1.00 64.10 H new ATOM 0 HE2 HIS A 401 -4.740 -1.684 8.485 1.00 74.13 H new ATOM 246 N ALA A 402 -8.054 -5.324 5.600 1.00 51.03 N ATOM 247 CA ALA A 402 -9.370 -5.361 6.218 1.00 74.52 C ATOM 248 C ALA A 402 -9.324 -4.602 7.546 1.00 32.14 C ATOM 249 O ALA A 402 -8.441 -3.775 7.763 1.00 33.43 O ATOM 250 CB ALA A 402 -9.812 -6.815 6.390 1.00 32.14 C ATOM 0 H ALA A 402 -7.421 -6.064 5.902 1.00 51.03 H new ATOM 0 HA ALA A 402 -10.108 -4.870 5.583 1.00 74.52 H new ATOM 0 HB1 ALA A 402 -10.798 -6.843 6.853 1.00 32.14 H new ATOM 0 HB2 ALA A 402 -9.855 -7.300 5.415 1.00 32.14 H new ATOM 0 HB3 ALA A 402 -9.098 -7.340 7.025 1.00 32.14 H new ATOM 256 N ARG A 403 -10.290 -4.912 8.399 1.00 2.22 N ATOM 257 CA ARG A 403 -10.371 -4.272 9.701 1.00 55.32 C ATOM 258 C ARG A 403 -9.773 -5.178 10.778 1.00 61.44 C ATOM 259 O ARG A 403 -9.348 -4.701 11.829 1.00 41.43 O ATOM 260 CB ARG A 403 -11.823 -3.948 10.064 1.00 24.11 C ATOM 261 CG ARG A 403 -11.889 -2.865 11.143 1.00 34.43 C ATOM 262 CD ARG A 403 -12.998 -3.163 12.153 1.00 20.22 C ATOM 263 NE ARG A 403 -14.160 -2.280 11.907 1.00 23.01 N ATOM 264 CZ ARG A 403 -15.054 -1.924 12.853 1.00 50.31 C ATOM 265 NH1 ARG A 403 -14.928 -2.374 14.119 1.00 12.14 N ATOM 266 NH2 ARG A 403 -16.055 -1.129 12.520 1.00 61.34 N ATOM 0 H ARG A 403 -11.022 -5.597 8.214 1.00 2.22 H new ATOM 0 HA ARG A 403 -9.804 -3.343 9.650 1.00 55.32 H new ATOM 0 HB2 ARG A 403 -12.358 -3.614 9.175 1.00 24.11 H new ATOM 0 HB3 ARG A 403 -12.323 -4.850 10.417 1.00 24.11 H new ATOM 0 HG2 ARG A 403 -10.931 -2.801 11.658 1.00 34.43 H new ATOM 0 HG3 ARG A 403 -12.066 -1.895 10.679 1.00 34.43 H new ATOM 0 HD2 ARG A 403 -13.301 -4.207 12.074 1.00 20.22 H new ATOM 0 HD3 ARG A 403 -12.627 -3.015 13.167 1.00 20.22 H new ATOM 0 HE ARG A 403 -14.293 -1.918 10.963 1.00 23.01 H new ATOM 0 HH11 ARG A 403 -14.152 -2.988 14.367 1.00 12.14 H new ATOM 0 HH12 ARG A 403 -15.608 -2.100 14.828 1.00 12.14 H new ATOM 0 HH21 ARG A 403 -16.143 -0.794 11.561 1.00 61.34 H new ATOM 0 HH22 ARG A 403 -16.740 -0.850 13.222 1.00 61.34 H new ATOM 276 N ALA A 404 -9.755 -6.468 10.479 1.00 13.33 N ATOM 277 CA ALA A 404 -9.215 -7.445 11.408 1.00 73.13 C ATOM 278 C ALA A 404 -7.817 -7.863 10.946 1.00 51.10 C ATOM 279 O ALA A 404 -7.296 -8.889 11.382 1.00 52.51 O ATOM 280 CB ALA A 404 -10.173 -8.632 11.517 1.00 30.04 C ATOM 0 H ALA A 404 -10.106 -6.860 9.605 1.00 13.33 H new ATOM 0 HA ALA A 404 -9.118 -7.014 12.404 1.00 73.13 H new ATOM 0 HB1 ALA A 404 -9.767 -9.365 12.214 1.00 30.04 H new ATOM 0 HB2 ALA A 404 -11.142 -8.286 11.878 1.00 30.04 H new ATOM 0 HB3 ALA A 404 -10.294 -9.093 10.537 1.00 30.04 H new ATOM 286 N ASP A 405 -7.250 -7.048 10.070 1.00 21.11 N ATOM 287 CA ASP A 405 -5.924 -7.321 9.544 1.00 33.01 C ATOM 288 C ASP A 405 -5.012 -6.125 9.827 1.00 34.55 C ATOM 289 O ASP A 405 -4.065 -5.874 9.083 1.00 72.44 O ATOM 290 CB ASP A 405 -5.964 -7.537 8.030 1.00 50.33 C ATOM 291 CG ASP A 405 -5.819 -8.992 7.579 1.00 71.12 C ATOM 292 OD1 ASP A 405 -6.298 -9.918 8.249 1.00 53.41 O ATOM 293 OD2 ASP A 405 -5.173 -9.159 6.474 1.00 42.34 O ATOM 0 H ASP A 405 -7.685 -6.198 9.711 1.00 21.11 H new ATOM 0 HA ASP A 405 -5.550 -8.224 10.026 1.00 33.01 H new ATOM 0 HB2 ASP A 405 -6.907 -7.146 7.647 1.00 50.33 H new ATOM 0 HB3 ASP A 405 -5.167 -6.950 7.573 1.00 50.33 H new ATOM 298 N GLU A 406 -5.330 -5.420 10.902 1.00 21.42 N ATOM 299 CA GLU A 406 -4.551 -4.258 11.291 1.00 65.54 C ATOM 300 C GLU A 406 -3.140 -4.679 11.708 1.00 51.14 C ATOM 301 O GLU A 406 -2.188 -4.506 10.949 1.00 72.42 O ATOM 302 CB GLU A 406 -5.245 -3.483 12.414 1.00 11.13 C ATOM 303 CG GLU A 406 -4.359 -2.346 12.925 1.00 63.31 C ATOM 304 CD GLU A 406 -5.008 -1.639 14.118 1.00 34.23 C ATOM 305 OE1 GLU A 406 -4.383 -1.516 15.181 1.00 53.23 O ATOM 306 OE2 GLU A 406 -6.206 -1.208 13.910 1.00 4.31 O ATOM 0 H GLU A 406 -6.117 -5.631 11.516 1.00 21.42 H new ATOM 0 HA GLU A 406 -4.472 -3.594 10.430 1.00 65.54 H new ATOM 0 HB2 GLU A 406 -6.189 -3.078 12.051 1.00 11.13 H new ATOM 0 HB3 GLU A 406 -5.483 -4.160 13.234 1.00 11.13 H new ATOM 0 HG2 GLU A 406 -3.386 -2.741 13.217 1.00 63.31 H new ATOM 0 HG3 GLU A 406 -4.184 -1.628 12.124 1.00 63.31 H new ATOM 312 N HIS A 407 -3.050 -5.223 12.913 1.00 30.15 N ATOM 313 CA HIS A 407 -1.771 -5.670 13.438 1.00 30.35 C ATOM 314 C HIS A 407 -0.947 -6.302 12.314 1.00 10.42 C ATOM 315 O HIS A 407 0.270 -6.132 12.262 1.00 53.01 O ATOM 316 CB HIS A 407 -1.971 -6.611 14.628 1.00 0.42 C ATOM 317 CG HIS A 407 -2.521 -7.968 14.253 1.00 71.11 C ATOM 318 ND1 HIS A 407 -2.005 -9.217 14.428 1.00 21.42 N flip ATOM 319 CD2 HIS A 407 -3.740 -8.132 13.617 1.00 22.22 C flip ATOM 320 CE1 HIS A 407 -2.863 -10.099 13.929 1.00 53.12 C flip ATOM 321 NE2 HIS A 407 -3.939 -9.429 13.425 1.00 0.51 N flip ATOM 0 H HIS A 407 -3.842 -5.364 13.540 1.00 30.15 H new ATOM 0 HA HIS A 407 -1.210 -4.815 13.816 1.00 30.35 H new ATOM 0 HB2 HIS A 407 -1.016 -6.745 15.136 1.00 0.42 H new ATOM 0 HB3 HIS A 407 -2.648 -6.140 15.341 1.00 0.42 H new ATOM 0 HD2 HIS A 407 -4.414 -7.339 13.327 1.00 22.22 H new ATOM 0 HE1 HIS A 407 -2.731 -11.171 13.923 1.00 53.12 H new ATOM 0 HE2 HIS A 407 -4.753 -9.851 12.979 1.00 0.51 H new ATOM 328 N ILE A 408 -1.643 -7.019 11.444 1.00 11.40 N ATOM 329 CA ILE A 408 -0.992 -7.677 10.325 1.00 32.12 C ATOM 330 C ILE A 408 -0.224 -6.639 9.504 1.00 42.01 C ATOM 331 O ILE A 408 0.975 -6.786 9.274 1.00 1.43 O ATOM 332 CB ILE A 408 -2.008 -8.477 9.508 1.00 5.04 C ATOM 333 CG1 ILE A 408 -2.484 -9.709 10.280 1.00 71.01 C ATOM 334 CG2 ILE A 408 -1.441 -8.845 8.136 1.00 23.32 C ATOM 335 CD1 ILE A 408 -3.413 -10.571 9.422 1.00 62.23 C ATOM 0 H ILE A 408 -2.652 -7.159 11.492 1.00 11.40 H new ATOM 0 HA ILE A 408 -0.263 -8.404 10.683 1.00 32.12 H new ATOM 0 HB ILE A 408 -2.881 -7.847 9.337 1.00 5.04 H new ATOM 0 HG12 ILE A 408 -1.624 -10.299 10.596 1.00 71.01 H new ATOM 0 HG13 ILE A 408 -3.005 -9.396 11.185 1.00 71.01 H new ATOM 0 HG21 ILE A 408 -2.184 -9.413 7.576 1.00 23.32 H new ATOM 0 HG22 ILE A 408 -1.192 -7.935 7.589 1.00 23.32 H new ATOM 0 HG23 ILE A 408 -0.543 -9.449 8.264 1.00 23.32 H new ATOM 0 HD11 ILE A 408 -3.736 -11.440 9.996 1.00 62.23 H new ATOM 0 HD12 ILE A 408 -4.284 -9.986 9.128 1.00 62.23 H new ATOM 0 HD13 ILE A 408 -2.881 -10.903 8.530 1.00 62.23 H new ATOM 346 N ALA A 409 -0.949 -5.610 9.086 1.00 34.33 N ATOM 347 CA ALA A 409 -0.350 -4.547 8.295 1.00 45.33 C ATOM 348 C ALA A 409 0.700 -3.820 9.138 1.00 11.11 C ATOM 349 O ALA A 409 1.797 -3.538 8.659 1.00 64.35 O ATOM 350 CB ALA A 409 -1.447 -3.606 7.793 1.00 62.13 C ATOM 0 H ALA A 409 -1.943 -5.490 9.280 1.00 34.33 H new ATOM 0 HA ALA A 409 0.155 -4.957 7.420 1.00 45.33 H new ATOM 0 HB1 ALA A 409 -0.999 -2.809 7.200 1.00 62.13 H new ATOM 0 HB2 ALA A 409 -2.152 -4.165 7.177 1.00 62.13 H new ATOM 0 HB3 ALA A 409 -1.973 -3.173 8.644 1.00 62.13 H new ATOM 356 N LEU A 410 0.328 -3.539 10.377 1.00 22.35 N ATOM 357 CA LEU A 410 1.223 -2.852 11.291 1.00 35.51 C ATOM 358 C LEU A 410 2.482 -3.698 11.497 1.00 60.01 C ATOM 359 O LEU A 410 3.542 -3.169 11.831 1.00 13.42 O ATOM 360 CB LEU A 410 0.498 -2.501 12.591 1.00 61.32 C ATOM 361 CG LEU A 410 -0.650 -1.496 12.469 1.00 32.01 C ATOM 362 CD1 LEU A 410 -0.971 -0.863 13.823 1.00 42.31 C ATOM 363 CD2 LEU A 410 -0.346 -0.443 11.401 1.00 30.30 C ATOM 0 H LEU A 410 -0.583 -3.775 10.770 1.00 22.35 H new ATOM 0 HA LEU A 410 1.543 -1.900 10.867 1.00 35.51 H new ATOM 0 HB2 LEU A 410 0.105 -3.421 13.024 1.00 61.32 H new ATOM 0 HB3 LEU A 410 1.229 -2.104 13.295 1.00 61.32 H new ATOM 0 HG LEU A 410 -1.541 -2.034 12.146 1.00 32.01 H new ATOM 0 HD11 LEU A 410 -1.790 -0.153 13.708 1.00 42.31 H new ATOM 0 HD12 LEU A 410 -1.262 -1.641 14.529 1.00 42.31 H new ATOM 0 HD13 LEU A 410 -0.090 -0.343 14.199 1.00 42.31 H new ATOM 0 HD21 LEU A 410 -1.178 0.259 11.335 1.00 30.30 H new ATOM 0 HD22 LEU A 410 0.563 0.096 11.669 1.00 30.30 H new ATOM 0 HD23 LEU A 410 -0.206 -0.932 10.437 1.00 30.30 H new ATOM 374 N ARG A 411 2.323 -4.997 11.293 1.00 53.20 N ATOM 375 CA ARG A 411 3.433 -5.921 11.451 1.00 64.34 C ATOM 376 C ARG A 411 4.337 -5.883 10.218 1.00 64.42 C ATOM 377 O ARG A 411 5.448 -6.409 10.243 1.00 74.11 O ATOM 378 CB ARG A 411 2.932 -7.351 11.666 1.00 52.14 C ATOM 379 CG ARG A 411 4.054 -8.252 12.185 1.00 65.12 C ATOM 380 CD ARG A 411 3.520 -9.643 12.537 1.00 74.42 C ATOM 381 NE ARG A 411 3.306 -10.429 11.301 1.00 63.51 N ATOM 382 CZ ARG A 411 3.278 -11.778 11.259 1.00 22.11 C ATOM 383 NH1 ARG A 411 3.450 -12.504 12.385 1.00 23.42 N ATOM 384 NH2 ARG A 411 3.078 -12.378 10.101 1.00 31.33 N ATOM 0 H ARG A 411 1.442 -5.432 11.020 1.00 53.20 H new ATOM 0 HA ARG A 411 4.000 -5.611 12.329 1.00 64.34 H new ATOM 0 HB2 ARG A 411 2.105 -7.348 12.376 1.00 52.14 H new ATOM 0 HB3 ARG A 411 2.545 -7.750 10.728 1.00 52.14 H new ATOM 0 HG2 ARG A 411 4.835 -8.338 11.430 1.00 65.12 H new ATOM 0 HG3 ARG A 411 4.511 -7.800 13.065 1.00 65.12 H new ATOM 0 HD2 ARG A 411 4.226 -10.159 13.188 1.00 74.42 H new ATOM 0 HD3 ARG A 411 2.584 -9.554 13.088 1.00 74.42 H new ATOM 0 HE ARG A 411 3.171 -9.920 10.427 1.00 63.51 H new ATOM 0 HH11 ARG A 411 3.603 -12.033 13.277 1.00 23.42 H new ATOM 0 HH12 ARG A 411 3.427 -13.523 12.343 1.00 23.42 H new ATOM 0 HH21 ARG A 411 2.947 -11.823 9.255 1.00 31.33 H new ATOM 0 HH22 ARG A 411 3.054 -13.397 10.052 1.00 31.33 H new ATOM 394 N VAL A 412 3.826 -5.256 9.169 1.00 30.20 N ATOM 395 CA VAL A 412 4.574 -5.143 7.929 1.00 35.50 C ATOM 396 C VAL A 412 5.288 -3.789 7.889 1.00 43.52 C ATOM 397 O VAL A 412 6.497 -3.727 7.677 1.00 35.24 O ATOM 398 CB VAL A 412 3.643 -5.362 6.734 1.00 0.02 C ATOM 399 CG1 VAL A 412 4.187 -4.674 5.480 1.00 45.33 C ATOM 400 CG2 VAL A 412 3.414 -6.855 6.485 1.00 72.01 C ATOM 0 H VAL A 412 2.903 -4.821 9.152 1.00 30.20 H new ATOM 0 HA VAL A 412 5.340 -5.917 7.874 1.00 35.50 H new ATOM 0 HB VAL A 412 2.680 -4.910 6.972 1.00 0.02 H new ATOM 0 HG11 VAL A 412 3.506 -4.846 4.646 1.00 45.33 H new ATOM 0 HG12 VAL A 412 4.275 -3.603 5.662 1.00 45.33 H new ATOM 0 HG13 VAL A 412 5.168 -5.083 5.237 1.00 45.33 H new ATOM 0 HG21 VAL A 412 2.749 -6.984 5.631 1.00 72.01 H new ATOM 0 HG22 VAL A 412 4.368 -7.340 6.279 1.00 72.01 H new ATOM 0 HG23 VAL A 412 2.961 -7.306 7.368 1.00 72.01 H new ATOM 410 N ARG A 413 4.507 -2.739 8.098 1.00 50.23 N ATOM 411 CA ARG A 413 5.048 -1.391 8.090 1.00 55.30 C ATOM 412 C ARG A 413 6.445 -1.375 8.714 1.00 23.21 C ATOM 413 O ARG A 413 7.350 -0.718 8.203 1.00 61.44 O ATOM 414 CB ARG A 413 4.142 -0.429 8.860 1.00 71.23 C ATOM 415 CG ARG A 413 2.677 -0.622 8.467 1.00 0.44 C ATOM 416 CD ARG A 413 1.870 0.654 8.711 1.00 14.51 C ATOM 417 NE ARG A 413 2.302 1.293 9.972 1.00 45.22 N ATOM 418 CZ ARG A 413 1.508 2.069 10.740 1.00 2.32 C ATOM 419 NH1 ARG A 413 0.228 2.310 10.377 1.00 23.52 N ATOM 420 NH2 ARG A 413 1.998 2.589 11.849 1.00 64.15 N ATOM 0 H ARG A 413 3.504 -2.795 8.274 1.00 50.23 H new ATOM 0 HA ARG A 413 5.107 -1.064 7.052 1.00 55.30 H new ATOM 0 HB2 ARG A 413 4.259 -0.592 9.931 1.00 71.23 H new ATOM 0 HB3 ARG A 413 4.444 0.599 8.659 1.00 71.23 H new ATOM 0 HG2 ARG A 413 2.613 -0.901 7.415 1.00 0.44 H new ATOM 0 HG3 ARG A 413 2.248 -1.443 9.041 1.00 0.44 H new ATOM 0 HD2 ARG A 413 2.006 1.345 7.879 1.00 14.51 H new ATOM 0 HD3 ARG A 413 0.807 0.418 8.759 1.00 14.51 H new ATOM 0 HE ARG A 413 3.261 1.138 10.282 1.00 45.22 H new ATOM 0 HH11 ARG A 413 -0.143 1.904 9.518 1.00 23.52 H new ATOM 0 HH12 ARG A 413 -0.366 2.897 10.962 1.00 23.52 H new ATOM 0 HH21 ARG A 413 2.965 2.403 12.116 1.00 64.15 H new ATOM 0 HH22 ARG A 413 1.410 3.177 12.440 1.00 64.15 H new ATOM 430 N GLU A 414 6.577 -2.109 9.810 1.00 25.30 N ATOM 431 CA GLU A 414 7.848 -2.188 10.509 1.00 40.34 C ATOM 432 C GLU A 414 8.838 -3.041 9.715 1.00 33.21 C ATOM 433 O GLU A 414 9.894 -2.557 9.309 1.00 21.23 O ATOM 434 CB GLU A 414 7.661 -2.740 11.924 1.00 51.42 C ATOM 435 CG GLU A 414 6.863 -1.766 12.793 1.00 55.31 C ATOM 436 CD GLU A 414 7.261 -1.889 14.263 1.00 4.02 C ATOM 437 OE1 GLU A 414 6.766 -1.125 15.107 1.00 14.24 O ATOM 438 OE2 GLU A 414 8.116 -2.821 14.521 1.00 44.20 O ATOM 0 H GLU A 414 5.824 -2.654 10.231 1.00 25.30 H new ATOM 0 HA GLU A 414 8.256 -1.181 10.597 1.00 40.34 H new ATOM 0 HB2 GLU A 414 7.145 -3.699 11.879 1.00 51.42 H new ATOM 0 HB3 GLU A 414 8.635 -2.924 12.378 1.00 51.42 H new ATOM 0 HG2 GLU A 414 7.033 -0.745 12.451 1.00 55.31 H new ATOM 0 HG3 GLU A 414 5.797 -1.965 12.684 1.00 55.31 H new ATOM 444 N LYS A 415 8.463 -4.296 9.514 1.00 65.44 N ATOM 445 CA LYS A 415 9.306 -5.221 8.776 1.00 61.23 C ATOM 446 C LYS A 415 9.958 -4.484 7.604 1.00 1.21 C ATOM 447 O LYS A 415 11.168 -4.581 7.401 1.00 50.25 O ATOM 448 CB LYS A 415 8.507 -6.456 8.357 1.00 22.30 C ATOM 449 CG LYS A 415 9.314 -7.736 8.590 1.00 43.23 C ATOM 450 CD LYS A 415 10.696 -7.637 7.939 1.00 23.25 C ATOM 451 CE LYS A 415 10.607 -7.875 6.430 1.00 62.44 C ATOM 452 NZ LYS A 415 10.474 -9.320 6.140 1.00 53.52 N ATOM 0 H LYS A 415 7.586 -4.694 9.850 1.00 65.44 H new ATOM 0 HA LYS A 415 10.112 -5.591 9.410 1.00 61.23 H new ATOM 0 HB2 LYS A 415 7.576 -6.501 8.923 1.00 22.30 H new ATOM 0 HB3 LYS A 415 8.237 -6.379 7.304 1.00 22.30 H new ATOM 0 HG2 LYS A 415 9.424 -7.912 9.660 1.00 43.23 H new ATOM 0 HG3 LYS A 415 8.775 -8.590 8.180 1.00 43.23 H new ATOM 0 HD2 LYS A 415 11.123 -6.653 8.131 1.00 23.25 H new ATOM 0 HD3 LYS A 415 11.367 -8.369 8.388 1.00 23.25 H new ATOM 0 HE2 LYS A 415 9.753 -7.336 6.021 1.00 62.44 H new ATOM 0 HE3 LYS A 415 11.497 -7.480 5.941 1.00 62.44 H new ATOM 0 HZ1 LYS A 415 11.337 -9.661 5.671 1.00 53.52 H new ATOM 0 HZ2 LYS A 415 10.334 -9.841 7.029 1.00 53.52 H new ATOM 0 HZ3 LYS A 415 9.657 -9.475 5.516 1.00 53.52 H new ATOM 461 N LEU A 416 9.128 -3.765 6.862 1.00 64.43 N ATOM 462 CA LEU A 416 9.609 -3.012 5.717 1.00 2.04 C ATOM 463 C LEU A 416 10.847 -2.211 6.121 1.00 51.34 C ATOM 464 O LEU A 416 11.911 -2.360 5.520 1.00 42.04 O ATOM 465 CB LEU A 416 8.485 -2.155 5.129 1.00 61.43 C ATOM 466 CG LEU A 416 7.332 -2.917 4.476 1.00 2.13 C ATOM 467 CD1 LEU A 416 6.200 -1.966 4.080 1.00 40.01 C ATOM 468 CD2 LEU A 416 7.825 -3.746 3.289 1.00 4.52 C ATOM 0 H LEU A 416 8.125 -3.688 7.032 1.00 64.43 H new ATOM 0 HA LEU A 416 9.915 -3.688 4.918 1.00 2.04 H new ATOM 0 HB2 LEU A 416 8.077 -1.531 5.924 1.00 61.43 H new ATOM 0 HB3 LEU A 416 8.917 -1.484 4.387 1.00 61.43 H new ATOM 0 HG LEU A 416 6.925 -3.614 5.209 1.00 2.13 H new ATOM 0 HD11 LEU A 416 5.393 -2.534 3.618 1.00 40.01 H new ATOM 0 HD12 LEU A 416 5.824 -1.458 4.968 1.00 40.01 H new ATOM 0 HD13 LEU A 416 6.576 -1.228 3.372 1.00 40.01 H new ATOM 0 HD21 LEU A 416 6.985 -4.278 2.843 1.00 4.52 H new ATOM 0 HD22 LEU A 416 8.273 -3.087 2.546 1.00 4.52 H new ATOM 0 HD23 LEU A 416 8.569 -4.465 3.631 1.00 4.52 H new ATOM 479 N GLU A 417 10.669 -1.379 7.136 1.00 15.23 N ATOM 480 CA GLU A 417 11.759 -0.554 7.629 1.00 72.25 C ATOM 481 C GLU A 417 13.071 -1.340 7.605 1.00 73.24 C ATOM 482 O GLU A 417 14.144 -0.761 7.440 1.00 53.34 O ATOM 483 CB GLU A 417 11.459 -0.028 9.033 1.00 5.44 C ATOM 484 CG GLU A 417 10.155 0.772 9.053 1.00 14.22 C ATOM 485 CD GLU A 417 10.283 2.008 9.946 1.00 33.04 C ATOM 486 OE1 GLU A 417 9.954 3.122 9.513 1.00 74.45 O ATOM 487 OE2 GLU A 417 10.744 1.780 11.129 1.00 14.51 O ATOM 0 H GLU A 417 9.785 -1.258 7.631 1.00 15.23 H new ATOM 0 HA GLU A 417 11.863 0.308 6.970 1.00 72.25 H new ATOM 0 HB2 GLU A 417 11.388 -0.863 9.730 1.00 5.44 H new ATOM 0 HB3 GLU A 417 12.281 0.602 9.372 1.00 5.44 H new ATOM 0 HG2 GLU A 417 9.896 1.077 8.039 1.00 14.22 H new ATOM 0 HG3 GLU A 417 9.343 0.141 9.414 1.00 14.22 H new ATOM 493 N ALA A 418 12.945 -2.648 7.774 1.00 50.11 N ATOM 494 CA ALA A 418 14.107 -3.519 7.776 1.00 32.44 C ATOM 495 C ALA A 418 14.772 -3.476 6.398 1.00 1.54 C ATOM 496 O ALA A 418 15.966 -3.206 6.288 1.00 64.14 O ATOM 497 CB ALA A 418 13.686 -4.934 8.176 1.00 41.24 C ATOM 0 H ALA A 418 12.054 -3.126 7.911 1.00 50.11 H new ATOM 0 HA ALA A 418 14.840 -3.179 8.508 1.00 32.44 H new ATOM 0 HB1 ALA A 418 14.559 -5.587 8.177 1.00 41.24 H new ATOM 0 HB2 ALA A 418 13.246 -4.915 9.173 1.00 41.24 H new ATOM 0 HB3 ALA A 418 12.952 -5.311 7.463 1.00 41.24 H new ATOM 503 N LEU A 419 13.968 -3.749 5.381 1.00 15.22 N ATOM 504 CA LEU A 419 14.465 -3.746 4.014 1.00 13.35 C ATOM 505 C LEU A 419 14.832 -2.316 3.612 1.00 44.30 C ATOM 506 O LEU A 419 15.888 -2.084 3.029 1.00 64.32 O ATOM 507 CB LEU A 419 13.452 -4.408 3.076 1.00 63.32 C ATOM 508 CG LEU A 419 12.870 -5.741 3.549 1.00 23.52 C ATOM 509 CD1 LEU A 419 11.378 -5.832 3.233 1.00 54.32 C ATOM 510 CD2 LEU A 419 13.652 -6.919 2.964 1.00 75.45 C ATOM 0 H LEU A 419 12.977 -3.973 5.475 1.00 15.22 H new ATOM 0 HA LEU A 419 15.375 -4.342 3.937 1.00 13.35 H new ATOM 0 HB2 LEU A 419 12.629 -3.712 2.914 1.00 63.32 H new ATOM 0 HB3 LEU A 419 13.931 -4.566 2.110 1.00 63.32 H new ATOM 0 HG LEU A 419 12.973 -5.792 4.633 1.00 23.52 H new ATOM 0 HD11 LEU A 419 10.990 -6.790 3.580 1.00 54.32 H new ATOM 0 HD12 LEU A 419 10.849 -5.023 3.737 1.00 54.32 H new ATOM 0 HD13 LEU A 419 11.228 -5.749 2.157 1.00 54.32 H new ATOM 0 HD21 LEU A 419 13.218 -7.855 3.316 1.00 75.45 H new ATOM 0 HD22 LEU A 419 13.604 -6.883 1.876 1.00 75.45 H new ATOM 0 HD23 LEU A 419 14.693 -6.859 3.283 1.00 75.45 H new ATOM 521 N GLY A 420 13.937 -1.395 3.941 1.00 21.22 N ATOM 522 CA GLY A 420 14.154 0.006 3.623 1.00 54.05 C ATOM 523 C GLY A 420 12.872 0.818 3.814 1.00 1.14 C ATOM 524 O GLY A 420 12.789 1.653 4.713 1.00 33.51 O ATOM 0 H GLY A 420 13.061 -1.592 4.424 1.00 21.22 H new ATOM 0 HA2 GLY A 420 14.942 0.409 4.259 1.00 54.05 H new ATOM 0 HA3 GLY A 420 14.497 0.099 2.593 1.00 54.05 H new ATOM 528 N VAL A 421 11.902 0.542 2.955 1.00 53.21 N ATOM 529 CA VAL A 421 10.626 1.235 3.018 1.00 54.35 C ATOM 530 C VAL A 421 10.230 1.431 4.483 1.00 4.55 C ATOM 531 O VAL A 421 10.392 0.526 5.299 1.00 44.33 O ATOM 532 CB VAL A 421 9.574 0.473 2.210 1.00 11.11 C ATOM 533 CG1 VAL A 421 9.840 -1.033 2.250 1.00 23.03 C ATOM 534 CG2 VAL A 421 8.163 0.795 2.706 1.00 32.42 C ATOM 0 H VAL A 421 11.974 -0.152 2.211 1.00 53.21 H new ATOM 0 HA VAL A 421 10.706 2.224 2.567 1.00 54.35 H new ATOM 0 HB VAL A 421 9.646 0.799 1.172 1.00 11.11 H new ATOM 0 HG11 VAL A 421 9.079 -1.553 1.668 1.00 23.03 H new ATOM 0 HG12 VAL A 421 10.823 -1.240 1.828 1.00 23.03 H new ATOM 0 HG13 VAL A 421 9.808 -1.381 3.283 1.00 23.03 H new ATOM 0 HG21 VAL A 421 7.434 0.240 2.115 1.00 32.42 H new ATOM 0 HG22 VAL A 421 8.072 0.510 3.754 1.00 32.42 H new ATOM 0 HG23 VAL A 421 7.976 1.864 2.603 1.00 32.42 H new ATOM 544 N PRO A 422 9.703 2.650 4.778 1.00 63.35 N ATOM 545 CA PRO A 422 9.282 2.976 6.131 1.00 32.55 C ATOM 546 C PRO A 422 7.961 2.283 6.475 1.00 53.04 C ATOM 547 O PRO A 422 7.564 1.330 5.807 1.00 51.15 O ATOM 548 CB PRO A 422 9.183 4.492 6.158 1.00 20.02 C ATOM 549 CG PRO A 422 9.099 4.930 4.704 1.00 60.42 C ATOM 550 CD PRO A 422 9.497 3.746 3.837 1.00 43.44 C ATOM 0 HA PRO A 422 9.984 2.623 6.887 1.00 32.55 H new ATOM 0 HB2 PRO A 422 8.304 4.816 6.715 1.00 20.02 H new ATOM 0 HB3 PRO A 422 10.051 4.931 6.649 1.00 20.02 H new ATOM 0 HG2 PRO A 422 8.088 5.258 4.462 1.00 60.42 H new ATOM 0 HG3 PRO A 422 9.761 5.777 4.521 1.00 60.42 H new ATOM 0 HD2 PRO A 422 8.718 3.506 3.114 1.00 43.44 H new ATOM 0 HD3 PRO A 422 10.404 3.957 3.271 1.00 43.44 H new ATOM 555 N ASP A 423 7.318 2.792 7.516 1.00 32.44 N ATOM 556 CA ASP A 423 6.050 2.234 7.957 1.00 65.13 C ATOM 557 C ASP A 423 5.002 2.433 6.860 1.00 71.22 C ATOM 558 O ASP A 423 4.214 1.532 6.580 1.00 41.42 O ATOM 559 CB ASP A 423 5.551 2.935 9.222 1.00 74.51 C ATOM 560 CG ASP A 423 6.651 3.418 10.171 1.00 34.03 C ATOM 561 OD1 ASP A 423 7.636 2.708 10.420 1.00 72.21 O ATOM 562 OD2 ASP A 423 6.462 4.592 10.670 1.00 23.23 O ATOM 0 H ASP A 423 7.651 3.584 8.066 1.00 32.44 H new ATOM 0 HA ASP A 423 6.201 1.175 8.168 1.00 65.13 H new ATOM 0 HB2 ASP A 423 4.943 3.791 8.929 1.00 74.51 H new ATOM 0 HB3 ASP A 423 4.898 2.251 9.765 1.00 74.51 H new ATOM 567 N GLY A 424 5.028 3.618 6.269 1.00 1.22 N ATOM 568 CA GLY A 424 4.089 3.947 5.210 1.00 45.13 C ATOM 569 C GLY A 424 2.715 4.299 5.785 1.00 21.43 C ATOM 570 O GLY A 424 2.475 5.441 6.171 1.00 43.23 O ATOM 0 H GLY A 424 5.685 4.363 6.503 1.00 1.22 H new ATOM 0 HA2 GLY A 424 4.470 4.787 4.629 1.00 45.13 H new ATOM 0 HA3 GLY A 424 3.996 3.103 4.527 1.00 45.13 H new ATOM 574 N ALA A 425 1.850 3.296 5.821 1.00 60.31 N ATOM 575 CA ALA A 425 0.508 3.486 6.341 1.00 5.44 C ATOM 576 C ALA A 425 -0.383 2.330 5.878 1.00 73.15 C ATOM 577 O ALA A 425 0.101 1.376 5.272 1.00 42.10 O ATOM 578 CB ALA A 425 -0.026 4.848 5.895 1.00 14.31 C ATOM 0 H ALA A 425 2.053 2.350 5.498 1.00 60.31 H new ATOM 0 HA ALA A 425 0.516 3.481 7.431 1.00 5.44 H new ATOM 0 HB1 ALA A 425 -1.034 4.990 6.286 1.00 14.31 H new ATOM 0 HB2 ALA A 425 0.625 5.636 6.275 1.00 14.31 H new ATOM 0 HB3 ALA A 425 -0.050 4.891 4.806 1.00 14.31 H new ATOM 584 N THR A 426 -1.666 2.456 6.180 1.00 64.10 N ATOM 585 CA THR A 426 -2.628 1.435 5.802 1.00 32.43 C ATOM 586 C THR A 426 -4.015 2.051 5.613 1.00 51.12 C ATOM 587 O THR A 426 -4.422 2.921 6.383 1.00 34.11 O ATOM 588 CB THR A 426 -2.591 0.334 6.865 1.00 12.03 C ATOM 589 OG1 THR A 426 -3.402 0.844 7.920 1.00 14.23 O ATOM 590 CG2 THR A 426 -1.208 0.179 7.499 1.00 22.21 C ATOM 0 H THR A 426 -2.062 3.250 6.683 1.00 64.10 H new ATOM 0 HA THR A 426 -2.373 0.988 4.841 1.00 32.43 H new ATOM 0 HB THR A 426 -2.893 -0.613 6.418 1.00 12.03 H new ATOM 0 HG1 THR A 426 -3.435 0.193 8.651 1.00 14.23 H new ATOM 0 HG21 THR A 426 -1.237 -0.615 8.246 1.00 22.21 H new ATOM 0 HG22 THR A 426 -0.481 -0.075 6.728 1.00 22.21 H new ATOM 0 HG23 THR A 426 -0.919 1.116 7.976 1.00 22.21 H new ATOM 598 N PHE A 427 -4.703 1.578 4.585 1.00 14.25 N ATOM 599 CA PHE A 427 -6.035 2.073 4.285 1.00 13.45 C ATOM 600 C PHE A 427 -7.068 0.946 4.358 1.00 24.22 C ATOM 601 O PHE A 427 -6.742 -0.216 4.120 1.00 22.51 O ATOM 602 CB PHE A 427 -6.000 2.621 2.857 1.00 63.12 C ATOM 603 CG PHE A 427 -7.359 3.087 2.334 1.00 64.11 C ATOM 604 CD1 PHE A 427 -8.118 3.940 3.076 1.00 74.31 C ATOM 605 CD2 PHE A 427 -7.811 2.649 1.128 1.00 1.21 C ATOM 606 CE1 PHE A 427 -9.379 4.372 2.590 1.00 54.24 C ATOM 607 CE2 PHE A 427 -9.074 3.082 0.643 1.00 61.32 C ATOM 608 CZ PHE A 427 -9.832 3.934 1.384 1.00 63.52 C ATOM 0 H PHE A 427 -4.363 0.857 3.949 1.00 14.25 H new ATOM 0 HA PHE A 427 -6.317 2.838 5.008 1.00 13.45 H new ATOM 0 HB2 PHE A 427 -5.301 3.457 2.817 1.00 63.12 H new ATOM 0 HB3 PHE A 427 -5.612 1.849 2.192 1.00 63.12 H new ATOM 0 HD1 PHE A 427 -7.760 4.288 4.034 1.00 74.31 H new ATOM 0 HD2 PHE A 427 -7.210 1.972 0.539 1.00 1.21 H new ATOM 0 HE1 PHE A 427 -9.980 5.049 3.178 1.00 54.24 H new ATOM 0 HE2 PHE A 427 -9.432 2.734 -0.315 1.00 61.32 H new ATOM 0 HZ PHE A 427 -10.793 4.263 1.016 1.00 63.52 H new ATOM 617 N CYS A 428 -8.292 1.328 4.689 1.00 41.33 N ATOM 618 CA CYS A 428 -9.375 0.364 4.799 1.00 73.43 C ATOM 619 C CYS A 428 -10.403 0.671 3.709 1.00 74.02 C ATOM 620 O CYS A 428 -10.519 1.813 3.264 1.00 42.42 O ATOM 621 CB CYS A 428 -10.001 0.372 6.195 1.00 12.24 C ATOM 622 SG CYS A 428 -8.699 0.569 7.464 1.00 20.14 S ATOM 0 H CYS A 428 -8.559 2.293 4.885 1.00 41.33 H new ATOM 0 HA CYS A 428 -8.985 -0.644 4.655 1.00 73.43 H new ATOM 0 HB2 CYS A 428 -10.723 1.185 6.274 1.00 12.24 H new ATOM 0 HB3 CYS A 428 -10.547 -0.557 6.363 1.00 12.24 H new ATOM 0 HG CYS A 428 -9.242 0.577 8.645 1.00 20.14 H new ATOM 627 N GLU A 429 -11.124 -0.366 3.309 1.00 74.14 N ATOM 628 CA GLU A 429 -12.139 -0.219 2.279 1.00 13.21 C ATOM 629 C GLU A 429 -13.419 0.366 2.876 1.00 71.14 C ATOM 630 O GLU A 429 -13.443 0.755 4.043 1.00 54.33 O ATOM 631 CB GLU A 429 -12.417 -1.558 1.591 1.00 1.40 C ATOM 632 CG GLU A 429 -13.178 -2.504 2.521 1.00 13.15 C ATOM 633 CD GLU A 429 -12.810 -3.962 2.239 1.00 22.04 C ATOM 634 OE1 GLU A 429 -11.911 -4.512 2.892 1.00 11.24 O ATOM 635 OE2 GLU A 429 -13.496 -4.528 1.304 1.00 61.22 O ATOM 0 H GLU A 429 -11.026 -1.311 3.679 1.00 74.14 H new ATOM 0 HA GLU A 429 -11.766 0.471 1.523 1.00 13.21 H new ATOM 0 HB2 GLU A 429 -12.996 -1.391 0.683 1.00 1.40 H new ATOM 0 HB3 GLU A 429 -11.476 -2.018 1.289 1.00 1.40 H new ATOM 0 HG2 GLU A 429 -12.949 -2.262 3.559 1.00 13.15 H new ATOM 0 HG3 GLU A 429 -14.251 -2.364 2.390 1.00 13.15 H new ATOM 641 N ASP A 430 -14.453 0.412 2.049 1.00 5.10 N ATOM 642 CA ASP A 430 -15.734 0.944 2.480 1.00 24.32 C ATOM 643 C ASP A 430 -16.389 -0.039 3.452 1.00 0.11 C ATOM 644 O ASP A 430 -16.959 -1.046 3.033 1.00 60.24 O ATOM 645 CB ASP A 430 -16.679 1.135 1.293 1.00 31.00 C ATOM 646 CG ASP A 430 -16.608 0.040 0.226 1.00 11.13 C ATOM 647 OD1 ASP A 430 -16.647 -1.160 0.538 1.00 41.13 O ATOM 648 OD2 ASP A 430 -16.505 0.467 -0.986 1.00 12.05 O ATOM 0 H ASP A 430 -14.429 0.089 1.082 1.00 5.10 H new ATOM 0 HA ASP A 430 -15.555 1.908 2.957 1.00 24.32 H new ATOM 0 HB2 ASP A 430 -17.701 1.191 1.667 1.00 31.00 H new ATOM 0 HB3 ASP A 430 -16.459 2.094 0.823 1.00 31.00 H new ATOM 653 N PHE A 431 -16.287 0.285 4.732 1.00 63.34 N ATOM 654 CA PHE A 431 -16.862 -0.556 5.768 1.00 12.33 C ATOM 655 C PHE A 431 -18.390 -0.488 5.743 1.00 0.15 C ATOM 656 O PHE A 431 -19.005 0.055 6.660 1.00 72.11 O ATOM 657 CB PHE A 431 -16.360 -0.022 7.109 1.00 71.12 C ATOM 658 CG PHE A 431 -16.667 -0.935 8.297 1.00 45.33 C ATOM 659 CD1 PHE A 431 -15.835 -1.969 8.594 1.00 32.35 C ATOM 660 CD2 PHE A 431 -17.773 -0.713 9.059 1.00 73.43 C ATOM 661 CE1 PHE A 431 -16.120 -2.817 9.696 1.00 42.10 C ATOM 662 CE2 PHE A 431 -18.058 -1.561 10.162 1.00 31.02 C ATOM 663 CZ PHE A 431 -17.225 -2.595 10.457 1.00 44.40 C ATOM 0 H PHE A 431 -15.814 1.120 5.076 1.00 63.34 H new ATOM 0 HA PHE A 431 -16.569 -1.594 5.610 1.00 12.33 H new ATOM 0 HB2 PHE A 431 -15.282 0.128 7.048 1.00 71.12 H new ATOM 0 HB3 PHE A 431 -16.808 0.955 7.290 1.00 71.12 H new ATOM 0 HD1 PHE A 431 -14.957 -2.145 7.991 1.00 32.35 H new ATOM 0 HD2 PHE A 431 -18.434 0.108 8.825 1.00 73.43 H new ATOM 0 HE1 PHE A 431 -15.459 -3.639 9.930 1.00 42.10 H new ATOM 0 HE2 PHE A 431 -18.936 -1.385 10.766 1.00 31.02 H new ATOM 0 HZ PHE A 431 -17.441 -3.240 11.296 1.00 44.40 H new ATOM 672 N GLN A 432 -18.959 -1.046 4.685 1.00 51.31 N ATOM 673 CA GLN A 432 -20.404 -1.055 4.530 1.00 54.21 C ATOM 674 C GLN A 432 -20.931 0.373 4.382 1.00 41.30 C ATOM 675 O GLN A 432 -22.132 0.612 4.502 1.00 64.24 O ATOM 676 CB GLN A 432 -21.077 -1.768 5.703 1.00 4.14 C ATOM 677 CG GLN A 432 -20.857 -3.281 5.625 1.00 23.14 C ATOM 678 CD GLN A 432 -21.970 -3.956 4.820 1.00 44.13 C ATOM 679 OE1 GLN A 432 -23.147 -3.839 5.121 1.00 14.24 O ATOM 680 NE2 GLN A 432 -21.535 -4.666 3.784 1.00 71.53 N ATOM 0 H GLN A 432 -18.446 -1.495 3.927 1.00 51.31 H new ATOM 0 HA GLN A 432 -20.648 -1.608 3.623 1.00 54.21 H new ATOM 0 HB2 GLN A 432 -20.677 -1.387 6.643 1.00 4.14 H new ATOM 0 HB3 GLN A 432 -22.145 -1.552 5.700 1.00 4.14 H new ATOM 0 HG2 GLN A 432 -19.892 -3.488 5.163 1.00 23.14 H new ATOM 0 HG3 GLN A 432 -20.825 -3.700 6.631 1.00 23.14 H new ATOM 0 HE21 GLN A 432 -20.536 -4.722 3.588 1.00 71.53 H new ATOM 0 HE22 GLN A 432 -22.201 -5.154 3.185 1.00 71.53 H new ATOM 687 N VAL A 433 -20.007 1.287 4.124 1.00 74.11 N ATOM 688 CA VAL A 433 -20.364 2.685 3.957 1.00 75.24 C ATOM 689 C VAL A 433 -20.676 2.957 2.484 1.00 51.41 C ATOM 690 O VAL A 433 -20.357 2.144 1.619 1.00 12.22 O ATOM 691 CB VAL A 433 -19.248 3.578 4.504 1.00 42.40 C ATOM 692 CG1 VAL A 433 -18.938 3.236 5.964 1.00 60.40 C ATOM 693 CG2 VAL A 433 -17.991 3.479 3.638 1.00 70.54 C ATOM 0 H VAL A 433 -19.012 1.086 4.027 1.00 74.11 H new ATOM 0 HA VAL A 433 -21.262 2.919 4.528 1.00 75.24 H new ATOM 0 HB VAL A 433 -19.597 4.610 4.469 1.00 42.40 H new ATOM 0 HG11 VAL A 433 -18.142 3.885 6.328 1.00 60.40 H new ATOM 0 HG12 VAL A 433 -19.832 3.383 6.570 1.00 60.40 H new ATOM 0 HG13 VAL A 433 -18.619 2.196 6.034 1.00 60.40 H new ATOM 0 HG21 VAL A 433 -17.214 4.123 4.049 1.00 70.54 H new ATOM 0 HG22 VAL A 433 -17.638 2.448 3.625 1.00 70.54 H new ATOM 0 HG23 VAL A 433 -18.224 3.795 2.621 1.00 70.54 H new ATOM 703 N HIS A 434 -21.299 4.102 2.245 1.00 73.53 N ATOM 704 CA HIS A 434 -21.658 4.490 0.893 1.00 53.44 C ATOM 705 C HIS A 434 -20.452 4.309 -0.032 1.00 42.22 C ATOM 706 O HIS A 434 -20.603 3.899 -1.182 1.00 51.44 O ATOM 707 CB HIS A 434 -22.217 5.915 0.866 1.00 24.20 C ATOM 708 CG HIS A 434 -21.543 6.856 1.836 1.00 42.42 C ATOM 709 ND1 HIS A 434 -21.815 7.133 3.144 1.00 71.21 N flip ATOM 710 CD2 HIS A 434 -20.455 7.638 1.490 1.00 53.34 C flip ATOM 711 CE1 HIS A 434 -20.940 8.035 3.573 1.00 40.45 C flip ATOM 712 NE2 HIS A 434 -20.097 8.348 2.548 1.00 4.30 N flip ATOM 0 H HIS A 434 -21.564 4.773 2.966 1.00 73.53 H new ATOM 0 HA HIS A 434 -22.454 3.842 0.526 1.00 53.44 H new ATOM 0 HB2 HIS A 434 -22.116 6.315 -0.143 1.00 24.20 H new ATOM 0 HB3 HIS A 434 -23.283 5.881 1.090 1.00 24.20 H new ATOM 0 HD1 HIS A 434 -22.564 6.718 3.698 1.00 71.21 H new ATOM 0 HD2 HIS A 434 -19.979 7.664 0.521 1.00 53.34 H new ATOM 0 HE1 HIS A 434 -20.902 8.452 4.569 1.00 40.45 H new ATOM 719 N GLY A 435 -19.283 4.625 0.506 1.00 24.25 N ATOM 720 CA GLY A 435 -18.051 4.501 -0.255 1.00 14.42 C ATOM 721 C GLY A 435 -17.988 5.550 -1.368 1.00 2.02 C ATOM 722 O GLY A 435 -17.996 5.208 -2.550 1.00 24.04 O ATOM 0 H GLY A 435 -19.163 4.967 1.460 1.00 24.25 H new ATOM 0 HA2 GLY A 435 -17.195 4.618 0.410 1.00 14.42 H new ATOM 0 HA3 GLY A 435 -17.985 3.502 -0.687 1.00 14.42 H new ATOM 726 N ARG A 436 -17.927 6.806 -0.952 1.00 12.53 N ATOM 727 CA ARG A 436 -17.863 7.905 -1.898 1.00 71.12 C ATOM 728 C ARG A 436 -16.712 8.848 -1.539 1.00 41.54 C ATOM 729 O ARG A 436 -16.864 10.068 -1.595 1.00 62.05 O ATOM 730 CB ARG A 436 -19.174 8.695 -1.916 1.00 43.33 C ATOM 731 CG ARG A 436 -20.338 7.812 -2.369 1.00 11.10 C ATOM 732 CD ARG A 436 -20.459 7.804 -3.894 1.00 73.21 C ATOM 733 NE ARG A 436 -21.659 7.040 -4.302 1.00 74.24 N ATOM 734 CZ ARG A 436 -22.909 7.550 -4.322 1.00 5.13 C ATOM 735 NH1 ARG A 436 -23.134 8.828 -3.954 1.00 34.32 N ATOM 736 NH2 ARG A 436 -23.908 6.776 -4.704 1.00 14.32 N ATOM 0 H ARG A 436 -17.921 7.087 0.029 1.00 12.53 H new ATOM 0 HA ARG A 436 -17.695 7.481 -2.888 1.00 71.12 H new ATOM 0 HB2 ARG A 436 -19.378 9.091 -0.921 1.00 43.33 H new ATOM 0 HB3 ARG A 436 -19.079 9.550 -2.586 1.00 43.33 H new ATOM 0 HG2 ARG A 436 -20.190 6.795 -2.007 1.00 11.10 H new ATOM 0 HG3 ARG A 436 -21.267 8.175 -1.929 1.00 11.10 H new ATOM 0 HD2 ARG A 436 -20.524 8.826 -4.267 1.00 73.21 H new ATOM 0 HD3 ARG A 436 -19.567 7.359 -4.336 1.00 73.21 H new ATOM 0 HE ARG A 436 -21.534 6.068 -4.586 1.00 74.24 H new ATOM 0 HH11 ARG A 436 -22.356 9.418 -3.657 1.00 34.32 H new ATOM 0 HH12 ARG A 436 -24.082 9.205 -3.972 1.00 34.32 H new ATOM 0 HH21 ARG A 436 -23.729 5.810 -4.978 1.00 14.32 H new ATOM 0 HH22 ARG A 436 -24.859 7.144 -4.725 1.00 14.32 H new ATOM 746 N GLY A 437 -15.588 8.248 -1.178 1.00 41.42 N ATOM 747 CA GLY A 437 -14.413 9.019 -0.810 1.00 64.43 C ATOM 748 C GLY A 437 -14.644 9.782 0.496 1.00 2.33 C ATOM 749 O GLY A 437 -14.658 11.012 0.506 1.00 2.32 O ATOM 0 H GLY A 437 -15.466 7.236 -1.132 1.00 41.42 H new ATOM 0 HA2 GLY A 437 -13.557 8.353 -0.700 1.00 64.43 H new ATOM 0 HA3 GLY A 437 -14.170 9.721 -1.607 1.00 64.43 H new ATOM 753 N GLU A 438 -14.823 9.020 1.566 1.00 54.13 N ATOM 754 CA GLU A 438 -15.053 9.611 2.874 1.00 22.05 C ATOM 755 C GLU A 438 -13.806 10.361 3.345 1.00 61.03 C ATOM 756 O GLU A 438 -13.891 11.520 3.749 1.00 31.31 O ATOM 757 CB GLU A 438 -15.468 8.544 3.890 1.00 42.42 C ATOM 758 CG GLU A 438 -16.725 7.805 3.426 1.00 5.45 C ATOM 759 CD GLU A 438 -16.362 6.574 2.594 1.00 13.01 C ATOM 760 OE1 GLU A 438 -15.678 5.668 3.092 1.00 1.50 O ATOM 761 OE2 GLU A 438 -16.816 6.579 1.387 1.00 14.52 O ATOM 0 H GLU A 438 -14.813 8.000 1.554 1.00 54.13 H new ATOM 0 HA GLU A 438 -15.872 10.326 2.790 1.00 22.05 H new ATOM 0 HB2 GLU A 438 -14.654 7.833 4.029 1.00 42.42 H new ATOM 0 HB3 GLU A 438 -15.652 9.010 4.858 1.00 42.42 H new ATOM 0 HG2 GLU A 438 -17.314 7.502 4.292 1.00 5.45 H new ATOM 0 HG3 GLU A 438 -17.349 8.476 2.836 1.00 5.45 H new ATOM 767 N LEU A 439 -12.678 9.670 3.279 1.00 33.45 N ATOM 768 CA LEU A 439 -11.415 10.258 3.694 1.00 61.30 C ATOM 769 C LEU A 439 -10.593 10.617 2.454 1.00 2.53 C ATOM 770 O LEU A 439 -11.099 10.572 1.335 1.00 13.11 O ATOM 771 CB LEU A 439 -10.687 9.328 4.667 1.00 42.42 C ATOM 772 CG LEU A 439 -10.453 7.896 4.180 1.00 61.23 C ATOM 773 CD1 LEU A 439 -10.089 7.876 2.695 1.00 74.13 C ATOM 774 CD2 LEU A 439 -9.401 7.192 5.037 1.00 61.03 C ATOM 0 H LEU A 439 -12.612 8.709 2.945 1.00 33.45 H new ATOM 0 HA LEU A 439 -11.587 11.185 4.242 1.00 61.30 H new ATOM 0 HB2 LEU A 439 -9.721 9.771 4.907 1.00 42.42 H new ATOM 0 HB3 LEU A 439 -11.258 9.286 5.594 1.00 42.42 H new ATOM 0 HG LEU A 439 -11.384 7.340 4.291 1.00 61.23 H new ATOM 0 HD11 LEU A 439 -9.928 6.847 2.374 1.00 74.13 H new ATOM 0 HD12 LEU A 439 -10.901 8.314 2.115 1.00 74.13 H new ATOM 0 HD13 LEU A 439 -9.178 8.453 2.536 1.00 74.13 H new ATOM 0 HD21 LEU A 439 -9.253 6.176 4.670 1.00 61.03 H new ATOM 0 HD22 LEU A 439 -8.460 7.739 4.980 1.00 61.03 H new ATOM 0 HD23 LEU A 439 -9.739 7.158 6.073 1.00 61.03 H new ATOM 785 N SER A 440 -9.338 10.966 2.697 1.00 20.02 N ATOM 786 CA SER A 440 -8.441 11.333 1.614 1.00 22.10 C ATOM 787 C SER A 440 -7.332 10.287 1.476 1.00 43.01 C ATOM 788 O SER A 440 -6.648 10.236 0.456 1.00 32.50 O ATOM 789 CB SER A 440 -7.838 12.719 1.847 1.00 75.44 C ATOM 790 OG SER A 440 -8.834 13.735 1.898 1.00 4.25 O ATOM 0 H SER A 440 -8.921 11.002 3.627 1.00 20.02 H new ATOM 0 HA SER A 440 -9.016 11.367 0.689 1.00 22.10 H new ATOM 0 HB2 SER A 440 -7.275 12.717 2.780 1.00 75.44 H new ATOM 0 HB3 SER A 440 -7.131 12.945 1.049 1.00 75.44 H new ATOM 0 HG SER A 440 -8.407 14.604 2.050 1.00 4.25 H new ATOM 795 N CYS A 441 -7.193 9.479 2.516 1.00 61.14 N ATOM 796 CA CYS A 441 -6.180 8.437 2.525 1.00 73.24 C ATOM 797 C CYS A 441 -6.164 7.773 1.147 1.00 14.15 C ATOM 798 O CYS A 441 -5.103 7.597 0.550 1.00 4.31 O ATOM 799 CB CYS A 441 -6.419 7.424 3.644 1.00 61.41 C ATOM 800 SG CYS A 441 -5.049 6.211 3.695 1.00 11.31 S ATOM 0 H CYS A 441 -7.765 9.525 3.359 1.00 61.14 H new ATOM 0 HA CYS A 441 -5.204 8.877 2.727 1.00 73.24 H new ATOM 0 HB2 CYS A 441 -6.495 7.939 4.602 1.00 61.41 H new ATOM 0 HB3 CYS A 441 -7.366 6.909 3.483 1.00 61.41 H new ATOM 0 HG CYS A 441 -5.262 5.356 4.651 1.00 11.31 H new ATOM 805 N LEU A 442 -7.354 7.421 0.682 1.00 21.05 N ATOM 806 CA LEU A 442 -7.490 6.779 -0.616 1.00 44.42 C ATOM 807 C LEU A 442 -6.539 7.444 -1.611 1.00 74.24 C ATOM 808 O LEU A 442 -5.512 6.871 -1.973 1.00 14.12 O ATOM 809 CB LEU A 442 -8.953 6.784 -1.065 1.00 73.45 C ATOM 810 CG LEU A 442 -9.278 5.944 -2.301 1.00 12.42 C ATOM 811 CD1 LEU A 442 -9.206 6.789 -3.574 1.00 43.54 C ATOM 812 CD2 LEU A 442 -8.374 4.712 -2.379 1.00 51.02 C ATOM 0 H LEU A 442 -8.232 7.568 1.180 1.00 21.05 H new ATOM 0 HA LEU A 442 -7.203 5.729 -0.554 1.00 44.42 H new ATOM 0 HB2 LEU A 442 -9.568 6.430 -0.237 1.00 73.45 H new ATOM 0 HB3 LEU A 442 -9.248 7.814 -1.263 1.00 73.45 H new ATOM 0 HG LEU A 442 -10.304 5.586 -2.211 1.00 12.42 H new ATOM 0 HD11 LEU A 442 -9.441 6.167 -4.437 1.00 43.54 H new ATOM 0 HD12 LEU A 442 -9.924 7.606 -3.509 1.00 43.54 H new ATOM 0 HD13 LEU A 442 -8.201 7.197 -3.684 1.00 43.54 H new ATOM 0 HD21 LEU A 442 -8.626 4.132 -3.267 1.00 51.02 H new ATOM 0 HD22 LEU A 442 -7.332 5.028 -2.435 1.00 51.02 H new ATOM 0 HD23 LEU A 442 -8.519 4.097 -1.491 1.00 51.02 H new ATOM 823 N GLN A 443 -6.914 8.645 -2.028 1.00 52.13 N ATOM 824 CA GLN A 443 -6.106 9.395 -2.976 1.00 20.45 C ATOM 825 C GLN A 443 -4.729 9.695 -2.379 1.00 55.15 C ATOM 826 O GLN A 443 -3.792 10.022 -3.106 1.00 40.13 O ATOM 827 CB GLN A 443 -6.813 10.683 -3.399 1.00 73.01 C ATOM 828 CG GLN A 443 -8.203 10.386 -3.967 1.00 22.31 C ATOM 829 CD GLN A 443 -8.108 9.849 -5.397 1.00 63.34 C ATOM 830 OE1 GLN A 443 -7.053 9.468 -5.874 1.00 21.44 O ATOM 831 NE2 GLN A 443 -9.267 9.840 -6.048 1.00 61.02 N ATOM 0 H GLN A 443 -7.766 9.117 -1.727 1.00 52.13 H new ATOM 0 HA GLN A 443 -5.968 8.785 -3.869 1.00 20.45 H new ATOM 0 HB2 GLN A 443 -6.902 11.351 -2.542 1.00 73.01 H new ATOM 0 HB3 GLN A 443 -6.214 11.202 -4.147 1.00 73.01 H new ATOM 0 HG2 GLN A 443 -8.710 9.658 -3.334 1.00 22.31 H new ATOM 0 HG3 GLN A 443 -8.806 11.294 -3.955 1.00 22.31 H new ATOM 0 HE21 GLN A 443 -10.113 10.174 -5.587 1.00 61.02 H new ATOM 0 HE22 GLN A 443 -9.310 9.499 -7.008 1.00 61.02 H new ATOM 838 N ASP A 444 -4.651 9.572 -1.063 1.00 72.32 N ATOM 839 CA ASP A 444 -3.405 9.826 -0.360 1.00 60.40 C ATOM 840 C ASP A 444 -2.418 8.694 -0.655 1.00 2.12 C ATOM 841 O ASP A 444 -1.260 8.754 -0.245 1.00 34.10 O ATOM 842 CB ASP A 444 -3.625 9.880 1.152 1.00 24.24 C ATOM 843 CG ASP A 444 -2.637 10.759 1.920 1.00 64.44 C ATOM 844 OD1 ASP A 444 -2.966 11.315 2.979 1.00 70.32 O ATOM 845 OD2 ASP A 444 -1.468 10.864 1.382 1.00 2.32 O ATOM 0 H ASP A 444 -5.431 9.300 -0.464 1.00 72.32 H new ATOM 0 HA ASP A 444 -3.016 10.785 -0.701 1.00 60.40 H new ATOM 0 HB2 ASP A 444 -4.635 10.242 1.344 1.00 24.24 H new ATOM 0 HB3 ASP A 444 -3.569 8.866 1.548 1.00 24.24 H new ATOM 850 N ALA A 445 -2.913 7.690 -1.363 1.00 44.13 N ATOM 851 CA ALA A 445 -2.090 6.546 -1.717 1.00 63.42 C ATOM 852 C ALA A 445 -1.462 6.782 -3.091 1.00 2.40 C ATOM 853 O ALA A 445 -0.320 6.390 -3.332 1.00 52.10 O ATOM 854 CB ALA A 445 -2.939 5.274 -1.673 1.00 61.51 C ATOM 0 H ALA A 445 -3.874 7.645 -1.701 1.00 44.13 H new ATOM 0 HA ALA A 445 -1.278 6.420 -1.001 1.00 63.42 H new ATOM 0 HB1 ALA A 445 -2.322 4.415 -1.939 1.00 61.51 H new ATOM 0 HB2 ALA A 445 -3.338 5.137 -0.668 1.00 61.51 H new ATOM 0 HB3 ALA A 445 -3.763 5.362 -2.381 1.00 61.51 H new ATOM 860 N ILE A 446 -2.235 7.419 -3.958 1.00 32.45 N ATOM 861 CA ILE A 446 -1.769 7.711 -5.303 1.00 0.22 C ATOM 862 C ILE A 446 -1.342 9.178 -5.383 1.00 71.52 C ATOM 863 O ILE A 446 -0.950 9.657 -6.446 1.00 72.11 O ATOM 864 CB ILE A 446 -2.831 7.322 -6.334 1.00 74.03 C ATOM 865 CG1 ILE A 446 -2.444 6.033 -7.061 1.00 24.03 C ATOM 866 CG2 ILE A 446 -3.094 8.472 -7.309 1.00 52.40 C ATOM 867 CD1 ILE A 446 -3.678 5.177 -7.354 1.00 20.40 C ATOM 0 H ILE A 446 -3.181 7.741 -3.755 1.00 32.45 H new ATOM 0 HA ILE A 446 -0.891 7.110 -5.541 1.00 0.22 H new ATOM 0 HB ILE A 446 -3.764 7.126 -5.806 1.00 74.03 H new ATOM 0 HG12 ILE A 446 -1.936 6.276 -7.994 1.00 24.03 H new ATOM 0 HG13 ILE A 446 -1.740 5.466 -6.453 1.00 24.03 H new ATOM 0 HG21 ILE A 446 -3.852 8.170 -8.031 1.00 52.40 H new ATOM 0 HG22 ILE A 446 -3.445 9.344 -6.757 1.00 52.40 H new ATOM 0 HG23 ILE A 446 -2.172 8.722 -7.834 1.00 52.40 H new ATOM 0 HD11 ILE A 446 -3.375 4.267 -7.871 1.00 20.40 H new ATOM 0 HD12 ILE A 446 -4.170 4.915 -6.417 1.00 20.40 H new ATOM 0 HD13 ILE A 446 -4.369 5.738 -7.983 1.00 20.40 H new ATOM 878 N ASP A 447 -1.430 9.849 -4.244 1.00 12.34 N ATOM 879 CA ASP A 447 -1.057 11.252 -4.173 1.00 4.31 C ATOM 880 C ASP A 447 0.329 11.375 -3.536 1.00 5.54 C ATOM 881 O ASP A 447 1.199 12.063 -4.065 1.00 51.13 O ATOM 882 CB ASP A 447 -2.045 12.041 -3.310 1.00 44.52 C ATOM 883 CG ASP A 447 -3.355 12.416 -4.006 1.00 24.03 C ATOM 884 OD1 ASP A 447 -4.324 12.841 -3.357 1.00 34.43 O ATOM 885 OD2 ASP A 447 -3.358 12.255 -5.285 1.00 2.13 O ATOM 0 H ASP A 447 -1.754 9.448 -3.364 1.00 12.34 H new ATOM 0 HA ASP A 447 -1.061 11.654 -5.186 1.00 4.31 H new ATOM 0 HB2 ASP A 447 -2.278 11.454 -2.422 1.00 44.52 H new ATOM 0 HB3 ASP A 447 -1.558 12.954 -2.969 1.00 44.52 H new ATOM 890 N HIS A 448 0.489 10.696 -2.410 1.00 64.44 N ATOM 891 CA HIS A 448 1.756 10.720 -1.696 1.00 0.10 C ATOM 892 C HIS A 448 2.086 9.314 -1.191 1.00 23.01 C ATOM 893 O HIS A 448 2.085 9.066 0.013 1.00 42.44 O ATOM 894 CB HIS A 448 1.726 11.761 -0.575 1.00 53.23 C ATOM 895 CG HIS A 448 1.763 13.189 -1.063 1.00 13.10 C ATOM 896 ND1 HIS A 448 2.709 13.651 -1.964 1.00 4.52 N ATOM 897 CD2 HIS A 448 0.961 14.253 -0.768 1.00 64.41 C ATOM 898 CE1 HIS A 448 2.478 14.935 -2.192 1.00 24.35 C ATOM 899 NE2 HIS A 448 1.394 15.306 -1.449 1.00 64.34 N ATOM 0 H HIS A 448 -0.236 10.126 -1.974 1.00 64.44 H new ATOM 0 HA HIS A 448 2.555 11.022 -2.373 1.00 0.10 H new ATOM 0 HB2 HIS A 448 0.824 11.614 0.019 1.00 53.23 H new ATOM 0 HB3 HIS A 448 2.575 11.592 0.087 1.00 53.23 H new ATOM 0 HD2 HIS A 448 0.117 14.240 -0.094 1.00 64.41 H new ATOM 0 HE1 HIS A 448 3.047 15.576 -2.850 1.00 24.35 H new ATOM 0 HE2 HIS A 448 0.984 16.240 -1.422 1.00 64.34 H new ATOM 906 N SER A 449 2.361 8.430 -2.138 1.00 33.21 N ATOM 907 CA SER A 449 2.695 7.055 -1.805 1.00 52.34 C ATOM 908 C SER A 449 3.386 6.381 -2.992 1.00 14.41 C ATOM 909 O SER A 449 2.776 6.196 -4.046 1.00 63.34 O ATOM 910 CB SER A 449 1.445 6.269 -1.400 1.00 35.34 C ATOM 911 OG SER A 449 1.576 5.691 -0.104 1.00 1.44 O ATOM 0 H SER A 449 2.360 8.639 -3.136 1.00 33.21 H new ATOM 0 HA SER A 449 3.377 7.064 -0.955 1.00 52.34 H new ATOM 0 HB2 SER A 449 0.579 6.931 -1.416 1.00 35.34 H new ATOM 0 HB3 SER A 449 1.258 5.482 -2.131 1.00 35.34 H new ATOM 0 HG SER A 449 0.758 5.199 0.119 1.00 1.44 H new ATOM 916 N ALA A 450 4.645 6.032 -2.784 1.00 62.30 N ATOM 917 CA ALA A 450 5.424 5.382 -3.823 1.00 75.24 C ATOM 918 C ALA A 450 4.539 4.382 -4.569 1.00 24.42 C ATOM 919 O ALA A 450 4.068 4.664 -5.669 1.00 3.30 O ATOM 920 CB ALA A 450 6.656 4.721 -3.201 1.00 30.23 C ATOM 0 H ALA A 450 5.147 6.187 -1.910 1.00 62.30 H new ATOM 0 HA ALA A 450 5.779 6.113 -4.550 1.00 75.24 H new ATOM 0 HB1 ALA A 450 7.240 4.233 -3.981 1.00 30.23 H new ATOM 0 HB2 ALA A 450 7.267 5.479 -2.710 1.00 30.23 H new ATOM 0 HB3 ALA A 450 6.340 3.979 -2.468 1.00 30.23 H new ATOM 926 N PHE A 451 4.339 3.234 -3.939 1.00 63.53 N ATOM 927 CA PHE A 451 3.519 2.189 -4.528 1.00 54.03 C ATOM 928 C PHE A 451 2.434 1.728 -3.552 1.00 45.13 C ATOM 929 O PHE A 451 2.670 1.650 -2.348 1.00 4.32 O ATOM 930 CB PHE A 451 4.446 1.012 -4.835 1.00 40.42 C ATOM 931 CG PHE A 451 5.729 1.405 -5.568 1.00 30.45 C ATOM 932 CD1 PHE A 451 6.765 1.954 -4.880 1.00 64.35 C ATOM 933 CD2 PHE A 451 5.834 1.207 -6.910 1.00 64.32 C ATOM 934 CE1 PHE A 451 7.957 2.319 -5.561 1.00 23.51 C ATOM 935 CE2 PHE A 451 7.026 1.572 -7.591 1.00 24.34 C ATOM 936 CZ PHE A 451 8.062 2.121 -6.901 1.00 33.34 C ATOM 0 H PHE A 451 4.731 3.004 -3.026 1.00 63.53 H new ATOM 0 HA PHE A 451 3.027 2.564 -5.426 1.00 54.03 H new ATOM 0 HB2 PHE A 451 4.711 0.518 -3.900 1.00 40.42 H new ATOM 0 HB3 PHE A 451 3.904 0.284 -5.438 1.00 40.42 H new ATOM 0 HD1 PHE A 451 6.682 2.113 -3.815 1.00 64.35 H new ATOM 0 HD2 PHE A 451 5.011 0.772 -7.458 1.00 64.32 H new ATOM 0 HE1 PHE A 451 8.780 2.754 -5.013 1.00 23.51 H new ATOM 0 HE2 PHE A 451 7.110 1.414 -8.656 1.00 24.34 H new ATOM 0 HZ PHE A 451 8.968 2.399 -7.419 1.00 33.34 H new ATOM 945 N ILE A 452 1.268 1.435 -4.109 1.00 72.52 N ATOM 946 CA ILE A 452 0.147 0.984 -3.304 1.00 4.20 C ATOM 947 C ILE A 452 0.323 -0.500 -2.975 1.00 31.32 C ATOM 948 O ILE A 452 0.611 -1.305 -3.860 1.00 21.43 O ATOM 949 CB ILE A 452 -1.177 1.305 -4.000 1.00 55.34 C ATOM 950 CG1 ILE A 452 -1.149 2.709 -4.609 1.00 14.21 C ATOM 951 CG2 ILE A 452 -2.359 1.118 -3.046 1.00 43.13 C ATOM 952 CD1 ILE A 452 -0.933 3.771 -3.530 1.00 42.22 C ATOM 0 H ILE A 452 1.076 1.501 -5.109 1.00 72.52 H new ATOM 0 HA ILE A 452 0.121 1.521 -2.356 1.00 4.20 H new ATOM 0 HB ILE A 452 -1.311 0.600 -4.820 1.00 55.34 H new ATOM 0 HG12 ILE A 452 -0.352 2.772 -5.350 1.00 14.21 H new ATOM 0 HG13 ILE A 452 -2.086 2.901 -5.131 1.00 14.21 H new ATOM 0 HG21 ILE A 452 -3.287 1.353 -3.567 1.00 43.13 H new ATOM 0 HG22 ILE A 452 -2.388 0.085 -2.701 1.00 43.13 H new ATOM 0 HG23 ILE A 452 -2.245 1.783 -2.190 1.00 43.13 H new ATOM 0 HD11 ILE A 452 -0.917 4.759 -3.990 1.00 42.22 H new ATOM 0 HD12 ILE A 452 -1.744 3.722 -2.804 1.00 42.22 H new ATOM 0 HD13 ILE A 452 0.017 3.590 -3.026 1.00 42.22 H new ATOM 963 N ILE A 453 0.146 -0.818 -1.702 1.00 52.32 N ATOM 964 CA ILE A 453 0.282 -2.190 -1.246 1.00 25.10 C ATOM 965 C ILE A 453 -1.098 -2.742 -0.882 1.00 40.42 C ATOM 966 O ILE A 453 -1.724 -2.280 0.072 1.00 21.41 O ATOM 967 CB ILE A 453 1.299 -2.277 -0.107 1.00 24.34 C ATOM 968 CG1 ILE A 453 2.721 -2.422 -0.652 1.00 1.12 C ATOM 969 CG2 ILE A 453 0.940 -3.405 0.864 1.00 73.32 C ATOM 970 CD1 ILE A 453 3.757 -2.043 0.410 1.00 12.32 C ATOM 0 H ILE A 453 -0.091 -0.148 -0.971 1.00 52.32 H new ATOM 0 HA ILE A 453 0.676 -2.819 -2.044 1.00 25.10 H new ATOM 0 HB ILE A 453 1.263 -1.344 0.455 1.00 24.34 H new ATOM 0 HG12 ILE A 453 2.887 -3.449 -0.977 1.00 1.12 H new ATOM 0 HG13 ILE A 453 2.845 -1.787 -1.529 1.00 1.12 H new ATOM 0 HG21 ILE A 453 1.679 -3.445 1.664 1.00 73.32 H new ATOM 0 HG22 ILE A 453 -0.046 -3.219 1.290 1.00 73.32 H new ATOM 0 HG23 ILE A 453 0.931 -4.355 0.330 1.00 73.32 H new ATOM 0 HD11 ILE A 453 4.759 -2.155 -0.003 1.00 12.32 H new ATOM 0 HD12 ILE A 453 3.604 -1.008 0.715 1.00 12.32 H new ATOM 0 HD13 ILE A 453 3.646 -2.696 1.276 1.00 12.32 H new ATOM 981 N LEU A 454 -1.532 -3.722 -1.660 1.00 31.10 N ATOM 982 CA LEU A 454 -2.826 -4.342 -1.432 1.00 74.21 C ATOM 983 C LEU A 454 -2.634 -5.636 -0.639 1.00 22.25 C ATOM 984 O LEU A 454 -2.165 -6.637 -1.180 1.00 34.05 O ATOM 985 CB LEU A 454 -3.568 -4.535 -2.756 1.00 1.54 C ATOM 986 CG LEU A 454 -3.708 -3.291 -3.634 1.00 12.32 C ATOM 987 CD1 LEU A 454 -4.301 -2.123 -2.842 1.00 34.24 C ATOM 988 CD2 LEU A 454 -2.372 -2.925 -4.282 1.00 61.14 C ATOM 0 H LEU A 454 -1.010 -4.102 -2.450 1.00 31.10 H new ATOM 0 HA LEU A 454 -3.460 -3.691 -0.830 1.00 74.21 H new ATOM 0 HB2 LEU A 454 -3.052 -5.304 -3.330 1.00 1.54 H new ATOM 0 HB3 LEU A 454 -4.566 -4.916 -2.538 1.00 1.54 H new ATOM 0 HG LEU A 454 -4.405 -3.519 -4.440 1.00 12.32 H new ATOM 0 HD11 LEU A 454 -4.390 -1.251 -3.490 1.00 34.24 H new ATOM 0 HD12 LEU A 454 -5.287 -2.400 -2.469 1.00 34.24 H new ATOM 0 HD13 LEU A 454 -3.649 -1.885 -2.001 1.00 34.24 H new ATOM 0 HD21 LEU A 454 -2.499 -2.037 -4.901 1.00 61.14 H new ATOM 0 HD22 LEU A 454 -1.634 -2.723 -3.505 1.00 61.14 H new ATOM 0 HD23 LEU A 454 -2.029 -3.753 -4.902 1.00 61.14 H new ATOM 999 N LEU A 455 -3.006 -5.576 0.631 1.00 14.25 N ATOM 1000 CA LEU A 455 -2.882 -6.732 1.503 1.00 60.44 C ATOM 1001 C LEU A 455 -3.850 -7.822 1.041 1.00 44.30 C ATOM 1002 O LEU A 455 -5.020 -7.818 1.421 1.00 3.33 O ATOM 1003 CB LEU A 455 -3.068 -6.321 2.965 1.00 52.41 C ATOM 1004 CG LEU A 455 -2.358 -7.195 4.002 1.00 54.55 C ATOM 1005 CD1 LEU A 455 -0.842 -7.172 3.793 1.00 40.24 C ATOM 1006 CD2 LEU A 455 -2.747 -6.782 5.424 1.00 52.10 C ATOM 0 H LEU A 455 -3.394 -4.745 1.077 1.00 14.25 H new ATOM 0 HA LEU A 455 -1.878 -7.152 1.439 1.00 60.44 H new ATOM 0 HB2 LEU A 455 -2.717 -5.296 3.081 1.00 52.41 H new ATOM 0 HB3 LEU A 455 -4.135 -6.320 3.189 1.00 52.41 H new ATOM 0 HG LEU A 455 -2.686 -8.225 3.864 1.00 54.55 H new ATOM 0 HD11 LEU A 455 -0.362 -7.801 4.543 1.00 40.24 H new ATOM 0 HD12 LEU A 455 -0.606 -7.549 2.798 1.00 40.24 H new ATOM 0 HD13 LEU A 455 -0.477 -6.149 3.889 1.00 40.24 H new ATOM 0 HD21 LEU A 455 -2.229 -7.418 6.142 1.00 52.10 H new ATOM 0 HD22 LEU A 455 -2.465 -5.742 5.591 1.00 52.10 H new ATOM 0 HD23 LEU A 455 -3.824 -6.891 5.553 1.00 52.10 H new ATOM 1017 N LEU A 456 -3.328 -8.727 0.228 1.00 22.12 N ATOM 1018 CA LEU A 456 -4.133 -9.822 -0.290 1.00 63.25 C ATOM 1019 C LEU A 456 -4.327 -10.870 0.807 1.00 51.04 C ATOM 1020 O LEU A 456 -3.468 -11.727 1.012 1.00 71.24 O ATOM 1021 CB LEU A 456 -3.515 -10.381 -1.573 1.00 70.25 C ATOM 1022 CG LEU A 456 -3.247 -9.365 -2.685 1.00 12.15 C ATOM 1023 CD1 LEU A 456 -3.278 -10.037 -4.059 1.00 31.05 C ATOM 1024 CD2 LEU A 456 -4.220 -8.188 -2.601 1.00 43.11 C ATOM 0 H LEU A 456 -2.357 -8.726 -0.086 1.00 22.12 H new ATOM 0 HA LEU A 456 -5.125 -9.467 -0.570 1.00 63.25 H new ATOM 0 HB2 LEU A 456 -2.574 -10.867 -1.318 1.00 70.25 H new ATOM 0 HB3 LEU A 456 -4.177 -11.153 -1.965 1.00 70.25 H new ATOM 0 HG LEU A 456 -2.244 -8.962 -2.545 1.00 12.15 H new ATOM 0 HD11 LEU A 456 -3.085 -9.293 -4.832 1.00 31.05 H new ATOM 0 HD12 LEU A 456 -2.513 -10.813 -4.102 1.00 31.05 H new ATOM 0 HD13 LEU A 456 -4.258 -10.485 -4.223 1.00 31.05 H new ATOM 0 HD21 LEU A 456 -4.007 -7.482 -3.403 1.00 43.11 H new ATOM 0 HD22 LEU A 456 -5.242 -8.553 -2.701 1.00 43.11 H new ATOM 0 HD23 LEU A 456 -4.106 -7.689 -1.638 1.00 43.11 H new ATOM 1035 N THR A 457 -5.460 -10.768 1.485 1.00 42.43 N ATOM 1036 CA THR A 457 -5.777 -11.697 2.557 1.00 4.43 C ATOM 1037 C THR A 457 -7.241 -12.134 2.468 1.00 61.41 C ATOM 1038 O THR A 457 -8.070 -11.428 1.895 1.00 44.10 O ATOM 1039 CB THR A 457 -5.425 -11.024 3.886 1.00 75.32 C ATOM 1040 OG1 THR A 457 -6.591 -10.276 4.217 1.00 12.12 O ATOM 1041 CG2 THR A 457 -4.332 -9.964 3.734 1.00 60.14 C ATOM 0 H THR A 457 -6.170 -10.056 1.313 1.00 42.43 H new ATOM 0 HA THR A 457 -5.190 -12.612 2.473 1.00 4.43 H new ATOM 0 HB THR A 457 -5.100 -11.780 4.600 1.00 75.32 H new ATOM 0 HG1 THR A 457 -6.419 -9.740 5.019 1.00 12.12 H new ATOM 0 HG21 THR A 457 -4.120 -9.518 4.706 1.00 60.14 H new ATOM 0 HG22 THR A 457 -3.427 -10.428 3.343 1.00 60.14 H new ATOM 0 HG23 THR A 457 -4.669 -9.190 3.045 1.00 60.14 H new ATOM 1049 N SER A 458 -7.514 -13.297 3.042 1.00 64.24 N ATOM 1050 CA SER A 458 -8.863 -13.837 3.034 1.00 70.44 C ATOM 1051 C SER A 458 -9.791 -12.939 3.854 1.00 72.01 C ATOM 1052 O SER A 458 -11.009 -13.101 3.817 1.00 44.34 O ATOM 1053 CB SER A 458 -8.887 -15.265 3.581 1.00 35.52 C ATOM 1054 OG SER A 458 -7.659 -15.616 4.212 1.00 70.44 O ATOM 0 H SER A 458 -6.824 -13.880 3.516 1.00 64.24 H new ATOM 0 HA SER A 458 -9.214 -13.866 2.002 1.00 70.44 H new ATOM 0 HB2 SER A 458 -9.704 -15.366 4.296 1.00 35.52 H new ATOM 0 HB3 SER A 458 -9.088 -15.962 2.767 1.00 35.52 H new ATOM 0 HG SER A 458 -7.082 -16.081 3.570 1.00 70.44 H new ATOM 1059 N ASN A 459 -9.179 -12.011 4.575 1.00 32.11 N ATOM 1060 CA ASN A 459 -9.935 -11.087 5.403 1.00 10.11 C ATOM 1061 C ASN A 459 -10.170 -9.789 4.627 1.00 62.34 C ATOM 1062 O ASN A 459 -10.863 -8.892 5.105 1.00 24.31 O ATOM 1063 CB ASN A 459 -9.171 -10.741 6.682 1.00 23.20 C ATOM 1064 CG ASN A 459 -8.966 -11.983 7.551 1.00 25.15 C ATOM 1065 OD1 ASN A 459 -8.227 -12.894 7.215 1.00 44.04 O ATOM 1066 ND2 ASN A 459 -9.663 -11.971 8.684 1.00 65.15 N ATOM 0 H ASN A 459 -8.168 -11.879 4.603 1.00 32.11 H new ATOM 0 HA ASN A 459 -10.879 -11.565 5.665 1.00 10.11 H new ATOM 0 HB2 ASN A 459 -8.204 -10.308 6.426 1.00 23.20 H new ATOM 0 HB3 ASN A 459 -9.720 -9.986 7.245 1.00 23.20 H new ATOM 0 HD21 ASN A 459 -9.597 -12.756 9.332 1.00 65.15 H new ATOM 0 HD22 ASN A 459 -10.263 -11.177 8.905 1.00 65.15 H new ATOM 1072 N PHE A 460 -9.578 -9.729 3.444 1.00 14.25 N ATOM 1073 CA PHE A 460 -9.713 -8.556 2.598 1.00 12.32 C ATOM 1074 C PHE A 460 -10.225 -8.939 1.207 1.00 35.33 C ATOM 1075 O PHE A 460 -10.301 -10.121 0.873 1.00 53.43 O ATOM 1076 CB PHE A 460 -8.321 -7.938 2.463 1.00 75.12 C ATOM 1077 CG PHE A 460 -8.269 -6.714 1.548 1.00 54.14 C ATOM 1078 CD1 PHE A 460 -9.018 -5.615 1.838 1.00 71.31 C ATOM 1079 CD2 PHE A 460 -7.476 -6.721 0.444 1.00 32.33 C ATOM 1080 CE1 PHE A 460 -8.970 -4.478 0.988 1.00 72.10 C ATOM 1081 CE2 PHE A 460 -7.427 -5.584 -0.406 1.00 33.13 C ATOM 1082 CZ PHE A 460 -8.176 -4.487 -0.116 1.00 50.43 C ATOM 0 H PHE A 460 -9.003 -10.474 3.051 1.00 14.25 H new ATOM 0 HA PHE A 460 -10.426 -7.860 3.040 1.00 12.32 H new ATOM 0 HB2 PHE A 460 -7.963 -7.654 3.453 1.00 75.12 H new ATOM 0 HB3 PHE A 460 -7.635 -8.694 2.081 1.00 75.12 H new ATOM 0 HD1 PHE A 460 -9.649 -5.608 2.715 1.00 71.31 H new ATOM 0 HD2 PHE A 460 -6.882 -7.593 0.213 1.00 32.33 H new ATOM 0 HE1 PHE A 460 -9.564 -3.606 1.219 1.00 72.10 H new ATOM 0 HE2 PHE A 460 -6.795 -5.591 -1.282 1.00 33.13 H new ATOM 0 HZ PHE A 460 -8.140 -3.623 -0.763 1.00 50.43 H new ATOM 1091 N ASP A 461 -10.563 -7.917 0.434 1.00 51.14 N ATOM 1092 CA ASP A 461 -11.065 -8.132 -0.914 1.00 65.40 C ATOM 1093 C ASP A 461 -10.142 -7.434 -1.914 1.00 0.20 C ATOM 1094 O ASP A 461 -10.002 -6.211 -1.885 1.00 22.42 O ATOM 1095 CB ASP A 461 -12.470 -7.548 -1.077 1.00 23.15 C ATOM 1096 CG ASP A 461 -13.610 -8.480 -0.661 1.00 74.23 C ATOM 1097 OD1 ASP A 461 -14.486 -8.816 -1.470 1.00 0.41 O ATOM 1098 OD2 ASP A 461 -13.576 -8.869 0.569 1.00 72.41 O ATOM 0 H ASP A 461 -10.499 -6.938 0.715 1.00 51.14 H new ATOM 0 HA ASP A 461 -11.098 -9.206 -1.095 1.00 65.40 H new ATOM 0 HB2 ASP A 461 -12.537 -6.632 -0.490 1.00 23.15 H new ATOM 0 HB3 ASP A 461 -12.612 -7.268 -2.121 1.00 23.15 H new ATOM 1103 N CYS A 462 -9.538 -8.239 -2.776 1.00 63.23 N ATOM 1104 CA CYS A 462 -8.633 -7.713 -3.784 1.00 43.42 C ATOM 1105 C CYS A 462 -9.454 -6.901 -4.787 1.00 70.35 C ATOM 1106 O CYS A 462 -9.093 -5.772 -5.120 1.00 64.41 O ATOM 1107 CB CYS A 462 -7.838 -8.828 -4.465 1.00 73.45 C ATOM 1108 SG CYS A 462 -7.289 -10.055 -3.224 1.00 61.35 S ATOM 0 H CYS A 462 -9.658 -9.252 -2.797 1.00 63.23 H new ATOM 0 HA CYS A 462 -7.893 -7.065 -3.313 1.00 43.42 H new ATOM 0 HB2 CYS A 462 -8.454 -9.315 -5.222 1.00 73.45 H new ATOM 0 HB3 CYS A 462 -6.974 -8.407 -4.979 1.00 73.45 H new ATOM 0 HG CYS A 462 -7.409 -11.253 -3.715 1.00 61.35 H new ATOM 1113 N ARG A 463 -10.540 -7.505 -5.243 1.00 23.34 N ATOM 1114 CA ARG A 463 -11.414 -6.851 -6.202 1.00 34.21 C ATOM 1115 C ARG A 463 -11.538 -5.361 -5.879 1.00 51.13 C ATOM 1116 O ARG A 463 -11.221 -4.513 -6.712 1.00 51.52 O ATOM 1117 CB ARG A 463 -12.806 -7.484 -6.200 1.00 5.54 C ATOM 1118 CG ARG A 463 -12.744 -8.950 -6.635 1.00 44.04 C ATOM 1119 CD ARG A 463 -13.826 -9.776 -5.937 1.00 2.03 C ATOM 1120 NE ARG A 463 -13.996 -11.074 -6.626 1.00 21.42 N ATOM 1121 CZ ARG A 463 -14.478 -11.210 -7.878 1.00 1.42 C ATOM 1122 NH1 ARG A 463 -14.846 -10.124 -8.592 1.00 24.14 N ATOM 1123 NH2 ARG A 463 -14.587 -12.419 -8.396 1.00 64.40 N ATOM 0 H ARG A 463 -10.836 -8.441 -4.966 1.00 23.34 H new ATOM 0 HA ARG A 463 -10.972 -6.976 -7.191 1.00 34.21 H new ATOM 0 HB2 ARG A 463 -13.239 -7.415 -5.202 1.00 5.54 H new ATOM 0 HB3 ARG A 463 -13.462 -6.930 -6.871 1.00 5.54 H new ATOM 0 HG2 ARG A 463 -12.870 -9.018 -7.716 1.00 44.04 H new ATOM 0 HG3 ARG A 463 -11.761 -9.361 -6.402 1.00 44.04 H new ATOM 0 HD2 ARG A 463 -13.553 -9.941 -4.895 1.00 2.03 H new ATOM 0 HD3 ARG A 463 -14.769 -9.229 -5.937 1.00 2.03 H new ATOM 0 HE ARG A 463 -13.732 -11.920 -6.122 1.00 21.42 H new ATOM 0 HH11 ARG A 463 -14.760 -9.193 -8.185 1.00 24.14 H new ATOM 0 HH12 ARG A 463 -15.210 -10.235 -9.538 1.00 24.14 H new ATOM 0 HH21 ARG A 463 -14.308 -13.235 -7.850 1.00 64.40 H new ATOM 0 HH22 ARG A 463 -14.950 -12.538 -9.342 1.00 64.40 H new ATOM 1133 N LEU A 464 -11.997 -5.088 -4.668 1.00 42.41 N ATOM 1134 CA LEU A 464 -12.167 -3.714 -4.222 1.00 14.55 C ATOM 1135 C LEU A 464 -10.822 -2.990 -4.298 1.00 64.53 C ATOM 1136 O LEU A 464 -10.713 -1.940 -4.930 1.00 61.42 O ATOM 1137 CB LEU A 464 -12.811 -3.676 -2.835 1.00 62.32 C ATOM 1138 CG LEU A 464 -13.021 -2.285 -2.232 1.00 34.25 C ATOM 1139 CD1 LEU A 464 -11.803 -1.851 -1.415 1.00 30.30 C ATOM 1140 CD2 LEU A 464 -13.377 -1.265 -3.316 1.00 23.14 C ATOM 0 H LEU A 464 -12.257 -5.795 -3.980 1.00 42.41 H new ATOM 0 HA LEU A 464 -12.854 -3.181 -4.879 1.00 14.55 H new ATOM 0 HB2 LEU A 464 -13.778 -4.176 -2.891 1.00 62.32 H new ATOM 0 HB3 LEU A 464 -12.191 -4.257 -2.152 1.00 62.32 H new ATOM 0 HG LEU A 464 -13.867 -2.335 -1.546 1.00 34.25 H new ATOM 0 HD11 LEU A 464 -11.979 -0.859 -0.998 1.00 30.30 H new ATOM 0 HD12 LEU A 464 -11.637 -2.561 -0.605 1.00 30.30 H new ATOM 0 HD13 LEU A 464 -10.924 -1.823 -2.059 1.00 30.30 H new ATOM 0 HD21 LEU A 464 -13.521 -0.285 -2.861 1.00 23.14 H new ATOM 0 HD22 LEU A 464 -12.568 -1.211 -4.045 1.00 23.14 H new ATOM 0 HD23 LEU A 464 -14.296 -1.571 -3.816 1.00 23.14 H new ATOM 1151 N SER A 465 -9.832 -3.578 -3.644 1.00 71.23 N ATOM 1152 CA SER A 465 -8.498 -3.001 -3.629 1.00 42.04 C ATOM 1153 C SER A 465 -8.166 -2.412 -5.000 1.00 21.44 C ATOM 1154 O SER A 465 -7.413 -1.444 -5.100 1.00 1.40 O ATOM 1155 CB SER A 465 -7.450 -4.044 -3.230 1.00 14.53 C ATOM 1156 OG SER A 465 -6.695 -4.495 -4.351 1.00 33.34 O ATOM 0 H SER A 465 -9.926 -4.448 -3.120 1.00 71.23 H new ATOM 0 HA SER A 465 -8.479 -2.204 -2.885 1.00 42.04 H new ATOM 0 HB2 SER A 465 -6.777 -3.616 -2.487 1.00 14.53 H new ATOM 0 HB3 SER A 465 -7.945 -4.894 -2.760 1.00 14.53 H new ATOM 0 HG SER A 465 -7.259 -5.060 -4.920 1.00 33.34 H new ATOM 1161 N LEU A 466 -8.744 -3.022 -6.025 1.00 32.02 N ATOM 1162 CA LEU A 466 -8.519 -2.571 -7.388 1.00 60.42 C ATOM 1163 C LEU A 466 -9.494 -1.436 -7.712 1.00 30.30 C ATOM 1164 O LEU A 466 -9.085 -0.380 -8.194 1.00 61.43 O ATOM 1165 CB LEU A 466 -8.599 -3.747 -8.363 1.00 45.52 C ATOM 1166 CG LEU A 466 -8.084 -3.482 -9.779 1.00 2.53 C ATOM 1167 CD1 LEU A 466 -9.144 -2.770 -10.623 1.00 21.23 C ATOM 1168 CD2 LEU A 466 -6.764 -2.710 -9.746 1.00 60.02 C ATOM 0 H LEU A 466 -9.368 -3.825 -5.939 1.00 32.02 H new ATOM 0 HA LEU A 466 -7.512 -2.168 -7.494 1.00 60.42 H new ATOM 0 HB2 LEU A 466 -8.035 -4.580 -7.943 1.00 45.52 H new ATOM 0 HB3 LEU A 466 -9.639 -4.067 -8.430 1.00 45.52 H new ATOM 0 HG LEU A 466 -7.884 -4.442 -10.256 1.00 2.53 H new ATOM 0 HD11 LEU A 466 -8.753 -2.593 -11.625 1.00 21.23 H new ATOM 0 HD12 LEU A 466 -10.037 -3.392 -10.686 1.00 21.23 H new ATOM 0 HD13 LEU A 466 -9.398 -1.817 -10.159 1.00 21.23 H new ATOM 0 HD21 LEU A 466 -6.420 -2.535 -10.765 1.00 60.02 H new ATOM 0 HD22 LEU A 466 -6.914 -1.754 -9.244 1.00 60.02 H new ATOM 0 HD23 LEU A 466 -6.016 -3.290 -9.205 1.00 60.02 H new ATOM 1179 N HIS A 467 -10.763 -1.692 -7.435 1.00 65.50 N ATOM 1180 CA HIS A 467 -11.798 -0.705 -7.691 1.00 4.43 C ATOM 1181 C HIS A 467 -11.407 0.629 -7.052 1.00 23.43 C ATOM 1182 O HIS A 467 -11.794 1.690 -7.534 1.00 54.33 O ATOM 1183 CB HIS A 467 -13.162 -1.213 -7.214 1.00 71.44 C ATOM 1184 CG HIS A 467 -13.384 -2.687 -7.448 1.00 64.41 C ATOM 1185 ND1 HIS A 467 -12.725 -3.398 -8.437 1.00 71.21 N ATOM 1186 CD2 HIS A 467 -14.195 -3.578 -6.810 1.00 23.22 C ATOM 1187 CE1 HIS A 467 -13.130 -4.657 -8.388 1.00 0.43 C ATOM 1188 NE2 HIS A 467 -14.043 -4.768 -7.379 1.00 53.51 N ATOM 0 H HIS A 467 -11.099 -2.569 -7.036 1.00 65.50 H new ATOM 0 HA HIS A 467 -11.890 -0.540 -8.765 1.00 4.43 H new ATOM 0 HB2 HIS A 467 -13.263 -1.005 -6.149 1.00 71.44 H new ATOM 0 HB3 HIS A 467 -13.946 -0.653 -7.724 1.00 71.44 H new ATOM 0 HD1 HIS A 467 -12.043 -3.016 -9.092 1.00 71.21 H new ATOM 0 HD2 HIS A 467 -14.851 -3.354 -5.982 1.00 23.22 H new ATOM 0 HE1 HIS A 467 -12.797 -5.456 -9.033 1.00 0.43 H new ATOM 1195 N GLN A 468 -10.640 0.528 -5.976 1.00 45.24 N ATOM 1196 CA GLN A 468 -10.190 1.714 -5.264 1.00 53.13 C ATOM 1197 C GLN A 468 -9.012 2.358 -5.999 1.00 52.33 C ATOM 1198 O GLN A 468 -9.180 3.363 -6.688 1.00 45.33 O ATOM 1199 CB GLN A 468 -9.818 1.379 -3.819 1.00 34.32 C ATOM 1200 CG GLN A 468 -11.045 0.925 -3.028 1.00 2.45 C ATOM 1201 CD GLN A 468 -10.859 1.181 -1.531 1.00 24.21 C ATOM 1202 OE1 GLN A 468 -10.086 0.522 -0.855 1.00 23.03 O ATOM 1203 NE2 GLN A 468 -11.607 2.171 -1.053 1.00 32.22 N ATOM 0 H GLN A 468 -10.319 -0.355 -5.580 1.00 45.24 H new ATOM 0 HA GLN A 468 -11.011 2.430 -5.235 1.00 53.13 H new ATOM 0 HB2 GLN A 468 -9.062 0.594 -3.807 1.00 34.32 H new ATOM 0 HB3 GLN A 468 -9.376 2.254 -3.341 1.00 34.32 H new ATOM 0 HG2 GLN A 468 -11.928 1.455 -3.384 1.00 2.45 H new ATOM 0 HG3 GLN A 468 -11.220 -0.137 -3.200 1.00 2.45 H new ATOM 0 HE21 GLN A 468 -12.234 2.682 -1.674 1.00 32.22 H new ATOM 0 HE22 GLN A 468 -11.554 2.419 -0.065 1.00 32.22 H new ATOM 1210 N VAL A 469 -7.847 1.752 -5.827 1.00 70.40 N ATOM 1211 CA VAL A 469 -6.642 2.254 -6.466 1.00 61.45 C ATOM 1212 C VAL A 469 -6.974 2.711 -7.887 1.00 4.11 C ATOM 1213 O VAL A 469 -6.353 3.637 -8.407 1.00 30.43 O ATOM 1214 CB VAL A 469 -5.544 1.188 -6.421 1.00 71.53 C ATOM 1215 CG1 VAL A 469 -5.868 0.029 -7.366 1.00 44.54 C ATOM 1216 CG2 VAL A 469 -4.177 1.796 -6.747 1.00 64.11 C ATOM 0 H VAL A 469 -7.711 0.919 -5.255 1.00 70.40 H new ATOM 0 HA VAL A 469 -6.258 3.121 -5.929 1.00 61.45 H new ATOM 0 HB VAL A 469 -5.501 0.792 -5.406 1.00 71.53 H new ATOM 0 HG11 VAL A 469 -5.073 -0.715 -7.316 1.00 44.54 H new ATOM 0 HG12 VAL A 469 -6.812 -0.429 -7.070 1.00 44.54 H new ATOM 0 HG13 VAL A 469 -5.950 0.404 -8.386 1.00 44.54 H new ATOM 0 HG21 VAL A 469 -3.414 1.018 -6.708 1.00 64.11 H new ATOM 0 HG22 VAL A 469 -4.201 2.231 -7.746 1.00 64.11 H new ATOM 0 HG23 VAL A 469 -3.941 2.572 -6.019 1.00 64.11 H new ATOM 1226 N ASN A 470 -7.956 2.042 -8.475 1.00 22.42 N ATOM 1227 CA ASN A 470 -8.378 2.367 -9.827 1.00 61.41 C ATOM 1228 C ASN A 470 -8.806 3.835 -9.882 1.00 1.04 C ATOM 1229 O ASN A 470 -8.081 4.676 -10.410 1.00 51.23 O ATOM 1230 CB ASN A 470 -9.572 1.510 -10.251 1.00 55.55 C ATOM 1231 CG ASN A 470 -9.116 0.307 -11.078 1.00 12.24 C ATOM 1232 OD1 ASN A 470 -7.956 -0.212 -10.686 1.00 12.21 O flip ATOM 1233 ND2 ASN A 470 -9.773 -0.123 -12.012 1.00 64.04 N flip ATOM 0 H ASN A 470 -8.471 1.277 -8.040 1.00 22.42 H new ATOM 0 HA ASN A 470 -7.541 2.176 -10.498 1.00 61.41 H new ATOM 0 HB2 ASN A 470 -10.109 1.166 -9.367 1.00 55.55 H new ATOM 0 HB3 ASN A 470 -10.269 2.113 -10.833 1.00 55.55 H new ATOM 0 HD21 ASN A 470 -10.656 0.322 -12.262 1.00 64.04 H new ATOM 0 HD22 ASN A 470 -9.439 -0.927 -12.543 1.00 64.04 H new ATOM 1239 N GLN A 471 -9.983 4.096 -9.331 1.00 73.14 N ATOM 1240 CA GLN A 471 -10.515 5.449 -9.310 1.00 15.35 C ATOM 1241 C GLN A 471 -9.406 6.452 -8.990 1.00 71.34 C ATOM 1242 O GLN A 471 -9.276 7.474 -9.662 1.00 72.50 O ATOM 1243 CB GLN A 471 -11.668 5.568 -8.313 1.00 44.54 C ATOM 1244 CG GLN A 471 -12.837 4.667 -8.715 1.00 2.43 C ATOM 1245 CD GLN A 471 -13.856 5.433 -9.560 1.00 63.03 C ATOM 1246 OE1 GLN A 471 -14.151 5.085 -10.691 1.00 30.44 O ATOM 1247 NE2 GLN A 471 -14.376 6.494 -8.951 1.00 44.34 N ATOM 0 H GLN A 471 -10.583 3.395 -8.896 1.00 73.14 H new ATOM 0 HA GLN A 471 -10.909 5.679 -10.300 1.00 15.35 H new ATOM 0 HB2 GLN A 471 -11.321 5.296 -7.316 1.00 44.54 H new ATOM 0 HB3 GLN A 471 -12.004 6.604 -8.262 1.00 44.54 H new ATOM 0 HG2 GLN A 471 -12.464 3.811 -9.277 1.00 2.43 H new ATOM 0 HG3 GLN A 471 -13.322 4.275 -7.821 1.00 2.43 H new ATOM 0 HE21 GLN A 471 -14.086 6.731 -8.002 1.00 44.34 H new ATOM 0 HE22 GLN A 471 -15.065 7.071 -9.432 1.00 44.34 H new ATOM 1254 N ALA A 472 -8.635 6.127 -7.963 1.00 30.05 N ATOM 1255 CA ALA A 472 -7.542 6.987 -7.545 1.00 32.43 C ATOM 1256 C ALA A 472 -6.646 7.286 -8.749 1.00 71.43 C ATOM 1257 O ALA A 472 -6.382 8.446 -9.058 1.00 53.44 O ATOM 1258 CB ALA A 472 -6.777 6.320 -6.400 1.00 13.01 C ATOM 0 H ALA A 472 -8.746 5.279 -7.408 1.00 30.05 H new ATOM 0 HA ALA A 472 -7.922 7.938 -7.172 1.00 32.43 H new ATOM 0 HB1 ALA A 472 -5.957 6.965 -6.086 1.00 13.01 H new ATOM 0 HB2 ALA A 472 -7.451 6.155 -5.559 1.00 13.01 H new ATOM 0 HB3 ALA A 472 -6.378 5.364 -6.738 1.00 13.01 H new ATOM 1264 N MET A 473 -6.201 6.218 -9.394 1.00 20.01 N ATOM 1265 CA MET A 473 -5.340 6.351 -10.557 1.00 74.40 C ATOM 1266 C MET A 473 -5.958 7.294 -11.592 1.00 34.25 C ATOM 1267 O MET A 473 -5.466 8.401 -11.801 1.00 52.50 O ATOM 1268 CB MET A 473 -5.116 4.976 -11.189 1.00 25.41 C ATOM 1269 CG MET A 473 -4.087 4.169 -10.392 1.00 14.53 C ATOM 1270 SD MET A 473 -3.872 2.557 -11.131 1.00 64.31 S ATOM 1271 CE MET A 473 -2.553 1.923 -10.109 1.00 71.12 C ATOM 0 H MET A 473 -6.420 5.257 -9.133 1.00 20.01 H new ATOM 0 HA MET A 473 -4.387 6.770 -10.233 1.00 74.40 H new ATOM 0 HB2 MET A 473 -6.059 4.432 -11.229 1.00 25.41 H new ATOM 0 HB3 MET A 473 -4.773 5.095 -12.217 1.00 25.41 H new ATOM 0 HG2 MET A 473 -3.135 4.699 -10.371 1.00 14.53 H new ATOM 0 HG3 MET A 473 -4.416 4.064 -9.358 1.00 14.53 H new ATOM 0 HE1 MET A 473 -2.009 1.151 -10.654 1.00 71.12 H new ATOM 0 HE2 MET A 473 -1.871 2.733 -9.851 1.00 71.12 H new ATOM 0 HE3 MET A 473 -2.972 1.497 -9.197 1.00 71.12 H new ATOM 1279 N MET A 474 -7.028 6.818 -12.213 1.00 12.30 N ATOM 1280 CA MET A 474 -7.718 7.603 -13.221 1.00 13.13 C ATOM 1281 C MET A 474 -8.131 8.968 -12.667 1.00 42.21 C ATOM 1282 O MET A 474 -8.431 9.887 -13.427 1.00 33.42 O ATOM 1283 CB MET A 474 -8.962 6.848 -13.695 1.00 23.40 C ATOM 1284 CG MET A 474 -9.958 6.657 -12.548 1.00 75.43 C ATOM 1285 SD MET A 474 -10.989 8.105 -12.390 1.00 4.34 S ATOM 1286 CE MET A 474 -12.077 7.568 -11.080 1.00 11.12 C ATOM 0 H MET A 474 -7.433 5.899 -12.037 1.00 12.30 H new ATOM 0 HA MET A 474 -7.037 7.762 -14.057 1.00 13.13 H new ATOM 0 HB2 MET A 474 -9.438 7.398 -14.507 1.00 23.40 H new ATOM 0 HB3 MET A 474 -8.672 5.876 -14.095 1.00 23.40 H new ATOM 0 HG2 MET A 474 -10.576 5.779 -12.734 1.00 75.43 H new ATOM 0 HG3 MET A 474 -9.422 6.478 -11.616 1.00 75.43 H new ATOM 0 HE1 MET A 474 -13.032 8.086 -11.165 1.00 11.12 H new ATOM 0 HE2 MET A 474 -12.239 6.493 -11.159 1.00 11.12 H new ATOM 0 HE3 MET A 474 -11.625 7.797 -10.115 1.00 11.12 H new ATOM 1294 N SER A 475 -8.133 9.057 -11.345 1.00 23.10 N ATOM 1295 CA SER A 475 -8.503 10.294 -10.679 1.00 43.03 C ATOM 1296 C SER A 475 -7.300 11.237 -10.620 1.00 33.02 C ATOM 1297 O SER A 475 -7.463 12.457 -10.597 1.00 21.33 O ATOM 1298 CB SER A 475 -9.033 10.023 -9.269 1.00 0.03 C ATOM 1299 OG SER A 475 -9.100 11.211 -8.486 1.00 73.13 O ATOM 0 H SER A 475 -7.884 8.292 -10.717 1.00 23.10 H new ATOM 0 HA SER A 475 -9.300 10.766 -11.254 1.00 43.03 H new ATOM 0 HB2 SER A 475 -10.025 9.576 -9.334 1.00 0.03 H new ATOM 0 HB3 SER A 475 -8.388 9.298 -8.773 1.00 0.03 H new ATOM 0 HG SER A 475 -9.987 11.283 -8.076 1.00 73.13 H new ATOM 1304 N ASN A 476 -6.119 10.639 -10.599 1.00 33.22 N ATOM 1305 CA ASN A 476 -4.889 11.410 -10.544 1.00 53.03 C ATOM 1306 C ASN A 476 -3.853 10.776 -11.475 1.00 42.04 C ATOM 1307 O ASN A 476 -3.067 9.931 -11.050 1.00 34.04 O ATOM 1308 CB ASN A 476 -4.309 11.423 -9.128 1.00 23.42 C ATOM 1309 CG ASN A 476 -3.065 12.311 -9.054 1.00 12.03 C ATOM 1310 OD1 ASN A 476 -2.910 13.270 -9.791 1.00 33.11 O ATOM 1311 ND2 ASN A 476 -2.190 11.938 -8.124 1.00 51.14 N ATOM 0 H ASN A 476 -5.987 9.628 -10.619 1.00 33.22 H new ATOM 0 HA ASN A 476 -5.117 12.431 -10.848 1.00 53.03 H new ATOM 0 HB2 ASN A 476 -5.061 11.785 -8.426 1.00 23.42 H new ATOM 0 HB3 ASN A 476 -4.054 10.407 -8.826 1.00 23.42 H new ATOM 0 HD21 ASN A 476 -1.327 12.466 -7.995 1.00 51.14 H new ATOM 0 HD22 ASN A 476 -2.382 11.124 -7.540 1.00 51.14 H new ATOM 1317 N LEU A 477 -3.884 11.210 -12.727 1.00 5.54 N ATOM 1318 CA LEU A 477 -2.958 10.696 -13.719 1.00 33.02 C ATOM 1319 C LEU A 477 -1.977 11.802 -14.118 1.00 23.23 C ATOM 1320 O LEU A 477 -0.899 11.522 -14.637 1.00 31.51 O ATOM 1321 CB LEU A 477 -3.719 10.095 -14.903 1.00 14.22 C ATOM 1322 CG LEU A 477 -4.859 9.136 -14.550 1.00 33.31 C ATOM 1323 CD1 LEU A 477 -5.877 9.052 -15.689 1.00 1.31 C ATOM 1324 CD2 LEU A 477 -4.316 7.758 -14.164 1.00 42.12 C ATOM 0 H LEU A 477 -4.537 11.912 -13.076 1.00 5.54 H new ATOM 0 HA LEU A 477 -2.368 9.880 -13.301 1.00 33.02 H new ATOM 0 HB2 LEU A 477 -4.128 10.911 -15.498 1.00 14.22 H new ATOM 0 HB3 LEU A 477 -3.007 9.565 -15.536 1.00 14.22 H new ATOM 0 HG LEU A 477 -5.382 9.532 -13.679 1.00 33.31 H new ATOM 0 HD11 LEU A 477 -6.676 8.364 -15.413 1.00 1.31 H new ATOM 0 HD12 LEU A 477 -6.297 10.040 -15.875 1.00 1.31 H new ATOM 0 HD13 LEU A 477 -5.384 8.691 -16.592 1.00 1.31 H new ATOM 0 HD21 LEU A 477 -5.146 7.096 -13.918 1.00 42.12 H new ATOM 0 HD22 LEU A 477 -3.755 7.341 -15.000 1.00 42.12 H new ATOM 0 HD23 LEU A 477 -3.660 7.855 -13.299 1.00 42.12 H new ATOM 1335 N THR A 478 -2.388 13.034 -13.857 1.00 2.12 N ATOM 1336 CA THR A 478 -1.559 14.183 -14.181 1.00 15.52 C ATOM 1337 C THR A 478 -0.407 14.306 -13.183 1.00 53.40 C ATOM 1338 O THR A 478 0.426 15.205 -13.300 1.00 24.41 O ATOM 1339 CB THR A 478 -2.460 15.418 -14.226 1.00 1.35 C ATOM 1340 OG1 THR A 478 -1.714 16.365 -14.985 1.00 73.32 O ATOM 1341 CG2 THR A 478 -2.616 16.078 -12.854 1.00 13.13 C ATOM 0 H THR A 478 -3.284 13.262 -13.425 1.00 2.12 H new ATOM 0 HA THR A 478 -1.090 14.070 -15.158 1.00 15.52 H new ATOM 0 HB THR A 478 -3.442 15.138 -14.608 1.00 1.35 H new ATOM 0 HG1 THR A 478 -0.761 16.276 -14.774 1.00 73.32 H new ATOM 0 HG21 THR A 478 -3.265 16.950 -12.941 1.00 13.13 H new ATOM 0 HG22 THR A 478 -3.056 15.366 -12.156 1.00 13.13 H new ATOM 0 HG23 THR A 478 -1.638 16.389 -12.487 1.00 13.13 H new ATOM 1349 N ARG A 479 -0.396 13.393 -12.225 1.00 62.51 N ATOM 1350 CA ARG A 479 0.641 13.389 -11.207 1.00 21.34 C ATOM 1351 C ARG A 479 1.667 12.290 -11.497 1.00 34.14 C ATOM 1352 O ARG A 479 2.785 12.577 -11.924 1.00 12.44 O ATOM 1353 CB ARG A 479 0.046 13.164 -9.815 1.00 73.43 C ATOM 1354 CG ARG A 479 -0.319 14.497 -9.156 1.00 24.12 C ATOM 1355 CD ARG A 479 0.920 15.374 -8.970 1.00 74.30 C ATOM 1356 NE ARG A 479 2.051 14.557 -8.475 1.00 5.41 N ATOM 1357 CZ ARG A 479 2.109 14.013 -7.240 1.00 52.22 C ATOM 1358 NH1 ARG A 479 1.098 14.196 -6.362 1.00 54.04 N ATOM 1359 NH2 ARG A 479 3.166 13.300 -6.903 1.00 54.12 N ATOM 0 H ARG A 479 -1.089 12.650 -12.131 1.00 62.51 H new ATOM 0 HA ARG A 479 1.130 14.363 -11.229 1.00 21.34 H new ATOM 0 HB2 ARG A 479 -0.842 12.536 -9.892 1.00 73.43 H new ATOM 0 HB3 ARG A 479 0.762 12.629 -9.191 1.00 73.43 H new ATOM 0 HG2 ARG A 479 -1.051 15.022 -9.770 1.00 24.12 H new ATOM 0 HG3 ARG A 479 -0.787 14.313 -8.189 1.00 24.12 H new ATOM 0 HD2 ARG A 479 1.188 15.844 -9.916 1.00 74.30 H new ATOM 0 HD3 ARG A 479 0.705 16.177 -8.265 1.00 74.30 H new ATOM 0 HE ARG A 479 2.836 14.395 -9.106 1.00 5.41 H new ATOM 0 HH11 ARG A 479 0.283 14.748 -6.630 1.00 54.04 H new ATOM 0 HH12 ARG A 479 1.150 13.782 -5.431 1.00 54.04 H new ATOM 0 HH21 ARG A 479 3.925 13.166 -7.571 1.00 54.12 H new ATOM 0 HH22 ARG A 479 3.225 12.883 -5.974 1.00 54.12 H new ATOM 1369 N GLN A 480 1.249 11.056 -11.255 1.00 34.11 N ATOM 1370 CA GLN A 480 2.118 9.914 -11.486 1.00 10.23 C ATOM 1371 C GLN A 480 1.547 9.030 -12.597 1.00 74.30 C ATOM 1372 O GLN A 480 2.299 8.426 -13.363 1.00 45.11 O ATOM 1373 CB GLN A 480 2.323 9.113 -10.199 1.00 23.42 C ATOM 1374 CG GLN A 480 0.986 8.614 -9.644 1.00 75.20 C ATOM 1375 CD GLN A 480 0.281 9.711 -8.846 1.00 70.10 C ATOM 1376 OE1 GLN A 480 -0.860 10.060 -9.097 1.00 50.44 O ATOM 1377 NE2 GLN A 480 1.021 10.233 -7.871 1.00 71.52 N ATOM 0 H GLN A 480 0.321 10.822 -10.902 1.00 34.11 H new ATOM 0 HA GLN A 480 3.093 10.282 -11.806 1.00 10.23 H new ATOM 0 HB2 GLN A 480 2.979 8.265 -10.395 1.00 23.42 H new ATOM 0 HB3 GLN A 480 2.820 9.735 -9.455 1.00 23.42 H new ATOM 0 HG2 GLN A 480 0.347 8.288 -10.464 1.00 75.20 H new ATOM 0 HG3 GLN A 480 1.154 7.746 -9.006 1.00 75.20 H new ATOM 0 HE21 GLN A 480 1.970 9.895 -7.714 1.00 71.52 H new ATOM 0 HE22 GLN A 480 0.639 10.972 -7.280 1.00 71.52 H new ATOM 1384 N GLY A 481 0.225 8.981 -12.651 1.00 74.14 N ATOM 1385 CA GLY A 481 -0.455 8.182 -13.657 1.00 64.32 C ATOM 1386 C GLY A 481 0.287 6.867 -13.903 1.00 3.34 C ATOM 1387 O GLY A 481 0.478 6.464 -15.048 1.00 30.15 O ATOM 0 H GLY A 481 -0.395 9.482 -12.014 1.00 74.14 H new ATOM 0 HA2 GLY A 481 -1.475 7.974 -13.333 1.00 64.32 H new ATOM 0 HA3 GLY A 481 -0.525 8.745 -14.588 1.00 64.32 H new ATOM 1391 N SER A 482 0.685 6.234 -12.809 1.00 1.44 N ATOM 1392 CA SER A 482 1.400 4.972 -12.891 1.00 31.21 C ATOM 1393 C SER A 482 0.511 3.831 -12.391 1.00 61.33 C ATOM 1394 O SER A 482 0.380 3.627 -11.186 1.00 23.15 O ATOM 1395 CB SER A 482 2.701 5.023 -12.088 1.00 72.13 C ATOM 1396 OG SER A 482 3.596 6.015 -12.584 1.00 74.53 O ATOM 0 H SER A 482 0.525 6.572 -11.860 1.00 1.44 H new ATOM 0 HA SER A 482 1.656 4.792 -13.935 1.00 31.21 H new ATOM 0 HB2 SER A 482 2.474 5.230 -11.042 1.00 72.13 H new ATOM 0 HB3 SER A 482 3.186 4.048 -12.122 1.00 72.13 H new ATOM 0 HG SER A 482 3.096 6.832 -12.790 1.00 74.53 H new ATOM 1401 N PRO A 483 -0.090 3.101 -13.367 1.00 62.05 N ATOM 1402 CA PRO A 483 -0.963 1.987 -13.037 1.00 62.34 C ATOM 1403 C PRO A 483 -0.152 0.773 -12.581 1.00 71.04 C ATOM 1404 O PRO A 483 -0.718 -0.273 -12.266 1.00 53.53 O ATOM 1405 CB PRO A 483 -1.762 1.726 -14.303 1.00 34.25 C ATOM 1406 CG PRO A 483 -0.988 2.390 -15.431 1.00 3.30 C ATOM 1407 CD PRO A 483 0.042 3.315 -14.805 1.00 74.31 C ATOM 0 HA PRO A 483 -1.627 2.205 -12.201 1.00 62.34 H new ATOM 0 HB2 PRO A 483 -1.872 0.656 -14.482 1.00 34.25 H new ATOM 0 HB3 PRO A 483 -2.767 2.140 -14.223 1.00 34.25 H new ATOM 0 HG2 PRO A 483 -0.500 1.640 -16.053 1.00 3.30 H new ATOM 0 HG3 PRO A 483 -1.662 2.951 -16.078 1.00 3.30 H new ATOM 0 HD2 PRO A 483 1.048 3.077 -15.150 1.00 74.31 H new ATOM 0 HD3 PRO A 483 -0.148 4.355 -15.069 1.00 74.31 H new ATOM 1412 N ASP A 484 1.160 0.952 -12.559 1.00 34.13 N ATOM 1413 CA ASP A 484 2.054 -0.118 -12.145 1.00 74.34 C ATOM 1414 C ASP A 484 2.494 0.123 -10.700 1.00 12.04 C ATOM 1415 O ASP A 484 3.432 -0.512 -10.220 1.00 63.22 O ATOM 1416 CB ASP A 484 3.309 -0.155 -13.022 1.00 3.20 C ATOM 1417 CG ASP A 484 4.078 1.164 -13.106 1.00 74.31 C ATOM 1418 OD1 ASP A 484 4.733 1.584 -12.140 1.00 53.05 O ATOM 1419 OD2 ASP A 484 3.987 1.777 -14.238 1.00 53.24 O ATOM 0 H ASP A 484 1.626 1.821 -12.821 1.00 34.13 H new ATOM 0 HA ASP A 484 1.519 -1.063 -12.240 1.00 74.34 H new ATOM 0 HB2 ASP A 484 3.979 -0.925 -12.639 1.00 3.20 H new ATOM 0 HB3 ASP A 484 3.021 -0.455 -14.030 1.00 3.20 H new ATOM 1424 N CYS A 485 1.797 1.041 -10.047 1.00 12.04 N ATOM 1425 CA CYS A 485 2.103 1.372 -8.667 1.00 51.00 C ATOM 1426 C CYS A 485 1.222 0.512 -7.759 1.00 40.34 C ATOM 1427 O CYS A 485 0.684 1.002 -6.766 1.00 23.44 O ATOM 1428 CB CYS A 485 1.923 2.865 -8.389 1.00 52.45 C ATOM 1429 SG CYS A 485 3.439 3.777 -8.863 1.00 4.43 S ATOM 0 H CYS A 485 1.021 1.566 -10.449 1.00 12.04 H new ATOM 0 HA CYS A 485 3.152 1.156 -8.464 1.00 51.00 H new ATOM 0 HB2 CYS A 485 1.069 3.247 -8.948 1.00 52.45 H new ATOM 0 HB3 CYS A 485 1.709 3.023 -7.332 1.00 52.45 H new ATOM 0 HG CYS A 485 3.973 4.310 -7.805 1.00 4.43 H new ATOM 1434 N VAL A 486 1.099 -0.753 -8.131 1.00 73.30 N ATOM 1435 CA VAL A 486 0.291 -1.685 -7.364 1.00 25.11 C ATOM 1436 C VAL A 486 1.164 -2.857 -6.911 1.00 72.25 C ATOM 1437 O VAL A 486 1.901 -3.431 -7.709 1.00 0.23 O ATOM 1438 CB VAL A 486 -0.922 -2.126 -8.186 1.00 4.13 C ATOM 1439 CG1 VAL A 486 -1.794 -3.102 -7.393 1.00 0.24 C ATOM 1440 CG2 VAL A 486 -1.735 -0.918 -8.653 1.00 11.11 C ATOM 0 H VAL A 486 1.546 -1.155 -8.955 1.00 73.30 H new ATOM 0 HA VAL A 486 -0.099 -1.204 -6.467 1.00 25.11 H new ATOM 0 HB VAL A 486 -0.557 -2.646 -9.072 1.00 4.13 H new ATOM 0 HG11 VAL A 486 -2.649 -3.400 -7.999 1.00 0.24 H new ATOM 0 HG12 VAL A 486 -1.209 -3.984 -7.132 1.00 0.24 H new ATOM 0 HG13 VAL A 486 -2.146 -2.618 -6.482 1.00 0.24 H new ATOM 0 HG21 VAL A 486 -2.591 -1.259 -9.235 1.00 11.11 H new ATOM 0 HG22 VAL A 486 -2.085 -0.358 -7.786 1.00 11.11 H new ATOM 0 HG23 VAL A 486 -1.109 -0.275 -9.271 1.00 11.11 H new ATOM 1450 N ILE A 487 1.052 -3.175 -5.628 1.00 33.22 N ATOM 1451 CA ILE A 487 1.822 -4.269 -5.059 1.00 54.23 C ATOM 1452 C ILE A 487 0.917 -5.108 -4.157 1.00 14.53 C ATOM 1453 O ILE A 487 0.688 -4.757 -3.002 1.00 2.30 O ATOM 1454 CB ILE A 487 3.069 -3.734 -4.353 1.00 74.13 C ATOM 1455 CG1 ILE A 487 3.572 -2.454 -5.023 1.00 75.05 C ATOM 1456 CG2 ILE A 487 4.158 -4.806 -4.275 1.00 54.13 C ATOM 1457 CD1 ILE A 487 4.092 -2.740 -6.433 1.00 71.12 C ATOM 0 H ILE A 487 0.441 -2.695 -4.968 1.00 33.22 H new ATOM 0 HA ILE A 487 2.187 -4.929 -5.846 1.00 54.23 H new ATOM 0 HB ILE A 487 2.797 -3.476 -3.329 1.00 74.13 H new ATOM 0 HG12 ILE A 487 2.765 -1.723 -5.071 1.00 75.05 H new ATOM 0 HG13 ILE A 487 4.366 -2.013 -4.421 1.00 75.05 H new ATOM 0 HG21 ILE A 487 5.033 -4.399 -3.769 1.00 54.13 H new ATOM 0 HG22 ILE A 487 3.784 -5.665 -3.719 1.00 54.13 H new ATOM 0 HG23 ILE A 487 4.434 -5.118 -5.282 1.00 54.13 H new ATOM 0 HD11 ILE A 487 4.443 -1.813 -6.886 1.00 71.12 H new ATOM 0 HD12 ILE A 487 4.915 -3.453 -6.380 1.00 71.12 H new ATOM 0 HD13 ILE A 487 3.289 -3.159 -7.039 1.00 71.12 H new ATOM 1468 N PRO A 488 0.413 -6.232 -4.734 1.00 14.02 N ATOM 1469 CA PRO A 488 -0.463 -7.125 -3.995 1.00 24.14 C ATOM 1470 C PRO A 488 0.329 -7.958 -2.984 1.00 74.54 C ATOM 1471 O PRO A 488 0.933 -8.967 -3.344 1.00 24.53 O ATOM 1472 CB PRO A 488 -1.148 -7.972 -5.055 1.00 63.21 C ATOM 1473 CG PRO A 488 -0.293 -7.844 -6.306 1.00 10.44 C ATOM 1474 CD PRO A 488 0.662 -6.681 -6.101 1.00 63.34 C ATOM 0 HA PRO A 488 -1.199 -6.590 -3.395 1.00 24.14 H new ATOM 0 HB2 PRO A 488 -1.222 -9.012 -4.737 1.00 63.21 H new ATOM 0 HB3 PRO A 488 -2.164 -7.622 -5.238 1.00 63.21 H new ATOM 0 HG2 PRO A 488 0.261 -8.765 -6.486 1.00 10.44 H new ATOM 0 HG3 PRO A 488 -0.920 -7.673 -7.181 1.00 10.44 H new ATOM 0 HD2 PRO A 488 1.698 -6.992 -6.233 1.00 63.34 H new ATOM 0 HD3 PRO A 488 0.475 -5.883 -6.820 1.00 63.34 H new ATOM 1479 N PHE A 489 0.301 -7.503 -1.739 1.00 55.00 N ATOM 1480 CA PHE A 489 1.009 -8.193 -0.675 1.00 33.24 C ATOM 1481 C PHE A 489 0.237 -9.432 -0.216 1.00 75.31 C ATOM 1482 O PHE A 489 -0.918 -9.621 -0.592 1.00 1.44 O ATOM 1483 CB PHE A 489 1.121 -7.215 0.495 1.00 44.21 C ATOM 1484 CG PHE A 489 2.332 -7.460 1.398 1.00 10.44 C ATOM 1485 CD1 PHE A 489 3.515 -6.849 1.130 1.00 61.13 C ATOM 1486 CD2 PHE A 489 2.223 -8.292 2.470 1.00 51.42 C ATOM 1487 CE1 PHE A 489 4.640 -7.076 1.968 1.00 2.21 C ATOM 1488 CE2 PHE A 489 3.347 -8.520 3.308 1.00 30.22 C ATOM 1489 CZ PHE A 489 4.531 -7.907 3.039 1.00 1.24 C ATOM 0 H PHE A 489 -0.201 -6.665 -1.444 1.00 55.00 H new ATOM 0 HA PHE A 489 1.987 -8.518 -1.029 1.00 33.24 H new ATOM 0 HB2 PHE A 489 1.173 -6.199 0.102 1.00 44.21 H new ATOM 0 HB3 PHE A 489 0.214 -7.278 1.096 1.00 44.21 H new ATOM 0 HD1 PHE A 489 3.601 -6.190 0.279 1.00 61.13 H new ATOM 0 HD2 PHE A 489 1.283 -8.778 2.683 1.00 51.42 H new ATOM 0 HE1 PHE A 489 5.580 -6.589 1.755 1.00 2.21 H new ATOM 0 HE2 PHE A 489 3.261 -9.180 4.159 1.00 30.22 H new ATOM 0 HZ PHE A 489 5.385 -8.080 3.677 1.00 1.24 H new ATOM 1498 N LEU A 490 0.907 -10.243 0.589 1.00 42.23 N ATOM 1499 CA LEU A 490 0.298 -11.458 1.103 1.00 0.43 C ATOM 1500 C LEU A 490 0.926 -11.805 2.455 1.00 25.34 C ATOM 1501 O LEU A 490 2.032 -12.339 2.510 1.00 24.15 O ATOM 1502 CB LEU A 490 0.394 -12.583 0.073 1.00 34.42 C ATOM 1503 CG LEU A 490 0.288 -14.008 0.622 1.00 3.31 C ATOM 1504 CD1 LEU A 490 -0.920 -14.149 1.549 1.00 31.35 C ATOM 1505 CD2 LEU A 490 0.263 -15.033 -0.513 1.00 24.04 C ATOM 0 H LEU A 490 1.866 -10.083 0.898 1.00 42.23 H new ATOM 0 HA LEU A 490 -0.768 -11.307 1.275 1.00 0.43 H new ATOM 0 HB2 LEU A 490 -0.395 -12.440 -0.666 1.00 34.42 H new ATOM 0 HB3 LEU A 490 1.344 -12.487 -0.452 1.00 34.42 H new ATOM 0 HG LEU A 490 1.177 -14.211 1.219 1.00 3.31 H new ATOM 0 HD11 LEU A 490 -0.972 -15.171 1.925 1.00 31.35 H new ATOM 0 HD12 LEU A 490 -0.819 -13.459 2.386 1.00 31.35 H new ATOM 0 HD13 LEU A 490 -1.831 -13.919 0.997 1.00 31.35 H new ATOM 0 HD21 LEU A 490 0.187 -16.037 -0.095 1.00 24.04 H new ATOM 0 HD22 LEU A 490 -0.596 -14.842 -1.157 1.00 24.04 H new ATOM 0 HD23 LEU A 490 1.180 -14.951 -1.097 1.00 24.04 H new ATOM 1516 N PRO A 491 0.172 -11.482 3.539 1.00 42.15 N ATOM 1517 CA PRO A 491 0.642 -11.752 4.886 1.00 22.53 C ATOM 1518 C PRO A 491 0.535 -13.244 5.215 1.00 55.14 C ATOM 1519 O PRO A 491 -0.348 -13.932 4.706 1.00 44.52 O ATOM 1520 CB PRO A 491 -0.218 -10.882 5.787 1.00 52.10 C ATOM 1521 CG PRO A 491 -1.441 -10.510 4.964 1.00 20.41 C ATOM 1522 CD PRO A 491 -1.144 -10.849 3.512 1.00 53.22 C ATOM 0 HA PRO A 491 1.698 -11.515 5.018 1.00 22.53 H new ATOM 0 HB2 PRO A 491 -0.504 -11.419 6.691 1.00 52.10 H new ATOM 0 HB3 PRO A 491 0.325 -9.992 6.104 1.00 52.10 H new ATOM 0 HG2 PRO A 491 -2.317 -11.057 5.313 1.00 20.41 H new ATOM 0 HG3 PRO A 491 -1.665 -9.449 5.071 1.00 20.41 H new ATOM 0 HD2 PRO A 491 -1.898 -11.520 3.100 1.00 53.22 H new ATOM 0 HD3 PRO A 491 -1.140 -9.954 2.890 1.00 53.22 H new ATOM 1527 N LEU A 492 1.445 -13.698 6.064 1.00 72.21 N ATOM 1528 CA LEU A 492 1.463 -15.093 6.466 1.00 34.35 C ATOM 1529 C LEU A 492 0.106 -15.463 7.069 1.00 22.45 C ATOM 1530 O LEU A 492 -0.348 -16.598 6.932 1.00 33.20 O ATOM 1531 CB LEU A 492 2.646 -15.368 7.397 1.00 51.22 C ATOM 1532 CG LEU A 492 4.031 -15.341 6.748 1.00 73.24 C ATOM 1533 CD1 LEU A 492 4.300 -13.990 6.082 1.00 21.43 C ATOM 1534 CD2 LEU A 492 5.118 -15.709 7.760 1.00 23.33 C ATOM 0 H LEU A 492 2.175 -13.124 6.485 1.00 72.21 H new ATOM 0 HA LEU A 492 1.614 -15.737 5.600 1.00 34.35 H new ATOM 0 HB2 LEU A 492 2.629 -14.632 8.201 1.00 51.22 H new ATOM 0 HB3 LEU A 492 2.501 -16.346 7.857 1.00 51.22 H new ATOM 0 HG LEU A 492 4.054 -16.096 5.962 1.00 73.24 H new ATOM 0 HD11 LEU A 492 5.291 -13.999 5.629 1.00 21.43 H new ATOM 0 HD12 LEU A 492 3.550 -13.808 5.312 1.00 21.43 H new ATOM 0 HD13 LEU A 492 4.250 -13.199 6.830 1.00 21.43 H new ATOM 0 HD21 LEU A 492 6.093 -15.682 7.273 1.00 23.33 H new ATOM 0 HD22 LEU A 492 5.104 -14.996 8.584 1.00 23.33 H new ATOM 0 HD23 LEU A 492 4.932 -16.712 8.145 1.00 23.33 H new ATOM 1545 N GLU A 493 -0.501 -14.485 7.724 1.00 32.14 N ATOM 1546 CA GLU A 493 -1.796 -14.694 8.348 1.00 1.22 C ATOM 1547 C GLU A 493 -2.797 -15.233 7.325 1.00 0.02 C ATOM 1548 O GLU A 493 -3.680 -16.018 7.669 1.00 53.11 O ATOM 1549 CB GLU A 493 -2.309 -13.403 8.990 1.00 23.44 C ATOM 1550 CG GLU A 493 -1.936 -13.344 10.473 1.00 74.12 C ATOM 1551 CD GLU A 493 -2.774 -14.327 11.291 1.00 15.43 C ATOM 1552 OE1 GLU A 493 -2.691 -15.545 11.070 1.00 11.43 O ATOM 1553 OE2 GLU A 493 -3.533 -13.788 12.184 1.00 74.52 O ATOM 0 H GLU A 493 -0.120 -13.546 7.836 1.00 32.14 H new ATOM 0 HA GLU A 493 -1.681 -15.434 9.140 1.00 1.22 H new ATOM 0 HB2 GLU A 493 -1.888 -12.542 8.471 1.00 23.44 H new ATOM 0 HB3 GLU A 493 -3.392 -13.343 8.881 1.00 23.44 H new ATOM 0 HG2 GLU A 493 -0.878 -13.575 10.594 1.00 74.12 H new ATOM 0 HG3 GLU A 493 -2.087 -12.332 10.849 1.00 74.12 H new ATOM 1559 N SER A 494 -2.628 -14.790 6.087 1.00 24.33 N ATOM 1560 CA SER A 494 -3.506 -15.219 5.013 1.00 10.42 C ATOM 1561 C SER A 494 -2.711 -16.004 3.968 1.00 71.34 C ATOM 1562 O SER A 494 -1.512 -16.228 4.135 1.00 22.45 O ATOM 1563 CB SER A 494 -4.204 -14.023 4.361 1.00 21.41 C ATOM 1564 OG SER A 494 -5.561 -13.903 4.778 1.00 30.10 O ATOM 0 H SER A 494 -1.896 -14.138 5.805 1.00 24.33 H new ATOM 0 HA SER A 494 -4.273 -15.866 5.437 1.00 10.42 H new ATOM 0 HB2 SER A 494 -3.666 -13.109 4.611 1.00 21.41 H new ATOM 0 HB3 SER A 494 -4.166 -14.128 3.277 1.00 21.41 H new ATOM 0 HG SER A 494 -5.994 -14.781 4.740 1.00 30.10 H new ATOM 1569 N SER A 495 -3.408 -16.399 2.913 1.00 12.10 N ATOM 1570 CA SER A 495 -2.781 -17.153 1.841 1.00 23.24 C ATOM 1571 C SER A 495 -3.440 -16.809 0.503 1.00 43.32 C ATOM 1572 O SER A 495 -4.516 -16.215 0.473 1.00 4.21 O ATOM 1573 CB SER A 495 -2.869 -18.658 2.103 1.00 32.53 C ATOM 1574 OG SER A 495 -1.617 -19.203 2.511 1.00 61.22 O ATOM 0 H SER A 495 -4.401 -16.211 2.778 1.00 12.10 H new ATOM 0 HA SER A 495 -1.727 -16.878 1.801 1.00 23.24 H new ATOM 0 HB2 SER A 495 -3.616 -18.849 2.874 1.00 32.53 H new ATOM 0 HB3 SER A 495 -3.207 -19.164 1.199 1.00 32.53 H new ATOM 0 HG SER A 495 -1.715 -20.165 2.670 1.00 61.22 H new ATOM 1579 N PRO A 496 -2.747 -17.206 -0.597 1.00 52.03 N ATOM 1580 CA PRO A 496 -3.253 -16.945 -1.935 1.00 44.35 C ATOM 1581 C PRO A 496 -4.409 -17.888 -2.277 1.00 73.53 C ATOM 1582 O PRO A 496 -5.310 -17.522 -3.029 1.00 53.30 O ATOM 1583 CB PRO A 496 -2.052 -17.118 -2.850 1.00 51.54 C ATOM 1584 CG PRO A 496 -1.034 -17.918 -2.054 1.00 75.10 C ATOM 1585 CD PRO A 496 -1.470 -17.911 -0.599 1.00 71.53 C ATOM 0 HA PRO A 496 -3.674 -15.945 -2.039 1.00 44.35 H new ATOM 0 HB2 PRO A 496 -2.330 -17.641 -3.765 1.00 51.54 H new ATOM 0 HB3 PRO A 496 -1.644 -16.152 -3.146 1.00 51.54 H new ATOM 0 HG2 PRO A 496 -0.974 -18.940 -2.429 1.00 75.10 H new ATOM 0 HG3 PRO A 496 -0.041 -17.481 -2.157 1.00 75.10 H new ATOM 0 HD2 PRO A 496 -1.577 -18.925 -0.213 1.00 71.53 H new ATOM 0 HD3 PRO A 496 -0.738 -17.406 0.031 1.00 71.53 H new ATOM 1590 N ALA A 497 -4.342 -19.083 -1.711 1.00 65.24 N ATOM 1591 CA ALA A 497 -5.371 -20.083 -1.946 1.00 71.14 C ATOM 1592 C ALA A 497 -6.691 -19.600 -1.342 1.00 51.12 C ATOM 1593 O ALA A 497 -7.764 -19.951 -1.829 1.00 41.22 O ATOM 1594 CB ALA A 497 -4.921 -21.425 -1.368 1.00 64.21 C ATOM 0 H ALA A 497 -3.591 -19.383 -1.089 1.00 65.24 H new ATOM 0 HA ALA A 497 -5.530 -20.227 -3.015 1.00 71.14 H new ATOM 0 HB1 ALA A 497 -5.693 -22.174 -1.544 1.00 64.21 H new ATOM 0 HB2 ALA A 497 -3.995 -21.737 -1.851 1.00 64.21 H new ATOM 0 HB3 ALA A 497 -4.754 -21.322 -0.296 1.00 64.21 H new ATOM 1600 N GLN A 498 -6.569 -18.804 -0.291 1.00 24.33 N ATOM 1601 CA GLN A 498 -7.739 -18.271 0.385 1.00 65.25 C ATOM 1602 C GLN A 498 -8.417 -17.212 -0.485 1.00 15.14 C ATOM 1603 O GLN A 498 -9.482 -16.704 -0.135 1.00 44.24 O ATOM 1604 CB GLN A 498 -7.369 -17.700 1.755 1.00 61.52 C ATOM 1605 CG GLN A 498 -6.216 -18.485 2.384 1.00 43.23 C ATOM 1606 CD GLN A 498 -6.200 -18.314 3.904 1.00 31.22 C ATOM 1607 OE1 GLN A 498 -5.870 -17.266 4.435 1.00 55.22 O ATOM 1608 NE2 GLN A 498 -6.577 -19.400 4.575 1.00 60.52 N ATOM 0 H GLN A 498 -5.677 -18.515 0.110 1.00 24.33 H new ATOM 0 HA GLN A 498 -8.444 -19.087 0.547 1.00 65.25 H new ATOM 0 HB2 GLN A 498 -7.087 -16.652 1.652 1.00 61.52 H new ATOM 0 HB3 GLN A 498 -8.237 -17.733 2.413 1.00 61.52 H new ATOM 0 HG2 GLN A 498 -6.312 -19.542 2.135 1.00 43.23 H new ATOM 0 HG3 GLN A 498 -5.269 -18.144 1.966 1.00 43.23 H new ATOM 0 HE21 GLN A 498 -6.841 -20.246 4.070 1.00 60.52 H new ATOM 0 HE22 GLN A 498 -6.602 -19.386 5.595 1.00 60.52 H new ATOM 1615 N LEU A 499 -7.773 -16.909 -1.603 1.00 22.14 N ATOM 1616 CA LEU A 499 -8.301 -15.919 -2.526 1.00 41.40 C ATOM 1617 C LEU A 499 -9.003 -16.632 -3.685 1.00 44.23 C ATOM 1618 O LEU A 499 -8.804 -17.827 -3.895 1.00 23.24 O ATOM 1619 CB LEU A 499 -7.198 -14.959 -2.972 1.00 21.55 C ATOM 1620 CG LEU A 499 -6.185 -14.556 -1.898 1.00 54.14 C ATOM 1621 CD1 LEU A 499 -5.245 -13.464 -2.413 1.00 12.44 C ATOM 1622 CD2 LEU A 499 -6.894 -14.138 -0.607 1.00 70.35 C ATOM 0 H LEU A 499 -6.890 -17.332 -1.890 1.00 22.14 H new ATOM 0 HA LEU A 499 -9.049 -15.299 -2.032 1.00 41.40 H new ATOM 0 HB2 LEU A 499 -6.657 -15.418 -3.800 1.00 21.55 H new ATOM 0 HB3 LEU A 499 -7.666 -14.054 -3.360 1.00 21.55 H new ATOM 0 HG LEU A 499 -5.571 -15.426 -1.663 1.00 54.14 H new ATOM 0 HD11 LEU A 499 -4.535 -13.196 -1.630 1.00 12.44 H new ATOM 0 HD12 LEU A 499 -4.703 -13.832 -3.284 1.00 12.44 H new ATOM 0 HD13 LEU A 499 -5.826 -12.585 -2.692 1.00 12.44 H new ATOM 0 HD21 LEU A 499 -6.152 -13.856 0.141 1.00 70.35 H new ATOM 0 HD22 LEU A 499 -7.547 -13.289 -0.809 1.00 70.35 H new ATOM 0 HD23 LEU A 499 -7.489 -14.971 -0.232 1.00 70.35 H new ATOM 1633 N SER A 500 -9.808 -15.866 -4.408 1.00 64.05 N ATOM 1634 CA SER A 500 -10.539 -16.410 -5.539 1.00 1.32 C ATOM 1635 C SER A 500 -9.576 -16.710 -6.689 1.00 31.32 C ATOM 1636 O SER A 500 -8.510 -16.104 -6.785 1.00 34.22 O ATOM 1637 CB SER A 500 -11.634 -15.445 -6.002 1.00 21.45 C ATOM 1638 OG SER A 500 -11.136 -14.470 -6.914 1.00 64.21 O ATOM 0 H SER A 500 -9.969 -14.874 -4.232 1.00 64.05 H new ATOM 0 HA SER A 500 -11.018 -17.337 -5.223 1.00 1.32 H new ATOM 0 HB2 SER A 500 -12.437 -16.009 -6.477 1.00 21.45 H new ATOM 0 HB3 SER A 500 -12.066 -14.944 -5.136 1.00 21.45 H new ATOM 0 HG SER A 500 -11.819 -13.783 -7.063 1.00 64.21 H new ATOM 1643 N SER A 501 -9.985 -17.645 -7.533 1.00 11.32 N ATOM 1644 CA SER A 501 -9.172 -18.033 -8.673 1.00 51.53 C ATOM 1645 C SER A 501 -9.055 -16.864 -9.654 1.00 23.45 C ATOM 1646 O SER A 501 -8.249 -16.907 -10.583 1.00 71.20 O ATOM 1647 CB SER A 501 -9.758 -19.259 -9.376 1.00 22.25 C ATOM 1648 OG SER A 501 -9.226 -19.428 -10.687 1.00 33.11 O ATOM 0 H SER A 501 -10.870 -18.146 -7.450 1.00 11.32 H new ATOM 0 HA SER A 501 -8.178 -18.296 -8.311 1.00 51.53 H new ATOM 0 HB2 SER A 501 -9.551 -20.150 -8.783 1.00 22.25 H new ATOM 0 HB3 SER A 501 -10.842 -19.160 -9.435 1.00 22.25 H new ATOM 0 HG SER A 501 -8.636 -18.675 -10.900 1.00 33.11 H new ATOM 1653 N ASP A 502 -9.871 -15.849 -9.416 1.00 64.45 N ATOM 1654 CA ASP A 502 -9.869 -14.671 -10.266 1.00 72.12 C ATOM 1655 C ASP A 502 -8.775 -13.710 -9.796 1.00 52.52 C ATOM 1656 O ASP A 502 -8.124 -13.057 -10.610 1.00 23.43 O ATOM 1657 CB ASP A 502 -11.208 -13.935 -10.192 1.00 12.01 C ATOM 1658 CG ASP A 502 -12.411 -14.732 -10.700 1.00 51.53 C ATOM 1659 OD1 ASP A 502 -12.557 -15.928 -10.404 1.00 44.12 O ATOM 1660 OD2 ASP A 502 -13.234 -14.067 -11.439 1.00 23.52 O ATOM 0 H ASP A 502 -10.539 -15.818 -8.646 1.00 64.45 H new ATOM 0 HA ASP A 502 -9.693 -14.996 -11.291 1.00 72.12 H new ATOM 0 HB2 ASP A 502 -11.392 -13.649 -9.156 1.00 12.01 H new ATOM 0 HB3 ASP A 502 -11.132 -13.013 -10.769 1.00 12.01 H new ATOM 1665 N THR A 503 -8.608 -13.650 -8.482 1.00 31.44 N ATOM 1666 CA THR A 503 -7.605 -12.780 -7.894 1.00 51.53 C ATOM 1667 C THR A 503 -6.303 -12.849 -8.694 1.00 31.40 C ATOM 1668 O THR A 503 -5.530 -11.892 -8.715 1.00 44.32 O ATOM 1669 CB THR A 503 -7.437 -13.176 -6.426 1.00 50.51 C ATOM 1670 OG1 THR A 503 -8.544 -12.559 -5.772 1.00 72.21 O ATOM 1671 CG2 THR A 503 -6.213 -12.525 -5.779 1.00 13.22 C ATOM 0 H THR A 503 -9.151 -14.190 -7.809 1.00 31.44 H new ATOM 0 HA THR A 503 -7.917 -11.736 -7.931 1.00 51.53 H new ATOM 0 HB THR A 503 -7.354 -14.260 -6.350 1.00 50.51 H new ATOM 0 HG1 THR A 503 -8.807 -13.097 -4.996 1.00 72.21 H new ATOM 0 HG21 THR A 503 -6.141 -12.840 -4.738 1.00 13.22 H new ATOM 0 HG22 THR A 503 -5.313 -12.830 -6.313 1.00 13.22 H new ATOM 0 HG23 THR A 503 -6.311 -11.440 -5.824 1.00 13.22 H new ATOM 1679 N ALA A 504 -6.099 -13.991 -9.334 1.00 4.10 N ATOM 1680 CA ALA A 504 -4.903 -14.198 -10.133 1.00 72.30 C ATOM 1681 C ALA A 504 -4.992 -13.349 -11.403 1.00 32.44 C ATOM 1682 O ALA A 504 -4.048 -12.637 -11.745 1.00 3.12 O ATOM 1683 CB ALA A 504 -4.745 -15.690 -10.438 1.00 70.02 C ATOM 0 H ALA A 504 -6.742 -14.783 -9.316 1.00 4.10 H new ATOM 0 HA ALA A 504 -4.015 -13.882 -9.586 1.00 72.30 H new ATOM 0 HB1 ALA A 504 -3.848 -15.846 -11.037 1.00 70.02 H new ATOM 0 HB2 ALA A 504 -4.658 -16.245 -9.504 1.00 70.02 H new ATOM 0 HB3 ALA A 504 -5.616 -16.043 -10.990 1.00 70.02 H new ATOM 1689 N SER A 505 -6.132 -13.454 -12.068 1.00 51.41 N ATOM 1690 CA SER A 505 -6.356 -12.704 -13.294 1.00 61.55 C ATOM 1691 C SER A 505 -6.606 -11.230 -12.966 1.00 35.44 C ATOM 1692 O SER A 505 -6.497 -10.371 -13.840 1.00 55.14 O ATOM 1693 CB SER A 505 -7.532 -13.280 -14.085 1.00 64.15 C ATOM 1694 OG SER A 505 -7.143 -14.390 -14.888 1.00 60.43 O ATOM 0 H SER A 505 -6.911 -14.047 -11.782 1.00 51.41 H new ATOM 0 HA SER A 505 -5.463 -12.785 -13.914 1.00 61.55 H new ATOM 0 HB2 SER A 505 -8.316 -13.590 -13.394 1.00 64.15 H new ATOM 0 HB3 SER A 505 -7.956 -12.503 -14.721 1.00 64.15 H new ATOM 0 HG SER A 505 -7.922 -14.730 -15.376 1.00 60.43 H new ATOM 1699 N LEU A 506 -6.936 -10.985 -11.708 1.00 52.31 N ATOM 1700 CA LEU A 506 -7.203 -9.629 -11.255 1.00 21.52 C ATOM 1701 C LEU A 506 -5.880 -8.871 -11.127 1.00 43.22 C ATOM 1702 O LEU A 506 -5.830 -7.663 -11.357 1.00 44.13 O ATOM 1703 CB LEU A 506 -8.029 -9.647 -9.968 1.00 31.42 C ATOM 1704 CG LEU A 506 -9.425 -10.263 -10.077 1.00 50.23 C ATOM 1705 CD1 LEU A 506 -10.014 -10.534 -8.691 1.00 53.14 C ATOM 1706 CD2 LEU A 506 -10.347 -9.388 -10.929 1.00 70.54 C ATOM 0 H LEU A 506 -7.025 -11.701 -10.987 1.00 52.31 H new ATOM 0 HA LEU A 506 -7.809 -9.094 -11.987 1.00 21.52 H new ATOM 0 HB2 LEU A 506 -7.470 -10.194 -9.209 1.00 31.42 H new ATOM 0 HB3 LEU A 506 -8.132 -8.622 -9.611 1.00 31.42 H new ATOM 0 HG LEU A 506 -9.335 -11.224 -10.583 1.00 50.23 H new ATOM 0 HD11 LEU A 506 -11.007 -10.972 -8.797 1.00 53.14 H new ATOM 0 HD12 LEU A 506 -9.368 -11.226 -8.150 1.00 53.14 H new ATOM 0 HD13 LEU A 506 -10.087 -9.598 -8.137 1.00 53.14 H new ATOM 0 HD21 LEU A 506 -11.333 -9.849 -10.990 1.00 70.54 H new ATOM 0 HD22 LEU A 506 -10.436 -8.402 -10.474 1.00 70.54 H new ATOM 0 HD23 LEU A 506 -9.930 -9.289 -11.931 1.00 70.54 H new ATOM 1717 N LEU A 507 -4.844 -9.609 -10.761 1.00 12.13 N ATOM 1718 CA LEU A 507 -3.525 -9.021 -10.598 1.00 14.22 C ATOM 1719 C LEU A 507 -2.598 -9.547 -11.696 1.00 15.12 C ATOM 1720 O LEU A 507 -1.378 -9.428 -11.594 1.00 40.31 O ATOM 1721 CB LEU A 507 -3.000 -9.265 -9.183 1.00 62.14 C ATOM 1722 CG LEU A 507 -2.606 -10.705 -8.852 1.00 5.03 C ATOM 1723 CD1 LEU A 507 -1.138 -10.964 -9.192 1.00 63.12 C ATOM 1724 CD2 LEU A 507 -2.924 -11.039 -7.392 1.00 22.35 C ATOM 0 H LEU A 507 -4.890 -10.610 -10.572 1.00 12.13 H new ATOM 0 HA LEU A 507 -3.575 -7.938 -10.712 1.00 14.22 H new ATOM 0 HB2 LEU A 507 -2.131 -8.626 -9.024 1.00 62.14 H new ATOM 0 HB3 LEU A 507 -3.764 -8.946 -8.474 1.00 62.14 H new ATOM 0 HG LEU A 507 -3.203 -11.373 -9.473 1.00 5.03 H new ATOM 0 HD11 LEU A 507 -0.884 -11.995 -8.947 1.00 63.12 H new ATOM 0 HD12 LEU A 507 -0.975 -10.793 -10.256 1.00 63.12 H new ATOM 0 HD13 LEU A 507 -0.506 -10.288 -8.616 1.00 63.12 H new ATOM 0 HD21 LEU A 507 -2.634 -12.069 -7.183 1.00 22.35 H new ATOM 0 HD22 LEU A 507 -2.371 -10.366 -6.736 1.00 22.35 H new ATOM 0 HD23 LEU A 507 -3.993 -10.920 -7.216 1.00 22.35 H new ATOM 1735 N SER A 508 -3.212 -10.115 -12.723 1.00 50.22 N ATOM 1736 CA SER A 508 -2.459 -10.660 -13.840 1.00 22.21 C ATOM 1737 C SER A 508 -1.459 -9.620 -14.351 1.00 32.14 C ATOM 1738 O SER A 508 -1.830 -8.704 -15.083 1.00 11.51 O ATOM 1739 CB SER A 508 -3.389 -11.102 -14.970 1.00 22.15 C ATOM 1740 OG SER A 508 -2.787 -10.942 -16.252 1.00 62.41 O ATOM 0 H SER A 508 -4.224 -10.210 -12.805 1.00 50.22 H new ATOM 0 HA SER A 508 -1.916 -11.538 -13.491 1.00 22.21 H new ATOM 0 HB2 SER A 508 -3.663 -12.147 -14.826 1.00 22.15 H new ATOM 0 HB3 SER A 508 -4.311 -10.522 -14.928 1.00 22.15 H new ATOM 0 HG SER A 508 -3.413 -11.237 -16.946 1.00 62.41 H new ATOM 1745 N GLY A 509 -0.211 -9.797 -13.947 1.00 71.33 N ATOM 1746 CA GLY A 509 0.846 -8.887 -14.355 1.00 54.23 C ATOM 1747 C GLY A 509 1.508 -8.234 -13.140 1.00 4.33 C ATOM 1748 O GLY A 509 2.722 -8.038 -13.121 1.00 21.50 O ATOM 0 H GLY A 509 0.093 -10.558 -13.340 1.00 71.33 H new ATOM 0 HA2 GLY A 509 1.594 -9.429 -14.933 1.00 54.23 H new ATOM 0 HA3 GLY A 509 0.435 -8.117 -15.008 1.00 54.23 H new ATOM 1752 N LEU A 510 0.681 -7.915 -12.155 1.00 71.43 N ATOM 1753 CA LEU A 510 1.171 -7.290 -10.940 1.00 43.23 C ATOM 1754 C LEU A 510 2.336 -8.110 -10.383 1.00 24.44 C ATOM 1755 O LEU A 510 2.704 -9.138 -10.951 1.00 40.33 O ATOM 1756 CB LEU A 510 0.028 -7.088 -9.942 1.00 31.11 C ATOM 1757 CG LEU A 510 -1.194 -6.333 -10.467 1.00 1.24 C ATOM 1758 CD1 LEU A 510 -2.163 -6.001 -9.331 1.00 0.24 C ATOM 1759 CD2 LEU A 510 -0.775 -5.084 -11.245 1.00 0.44 C ATOM 0 H LEU A 510 -0.326 -8.078 -12.175 1.00 71.43 H new ATOM 0 HA LEU A 510 1.556 -6.293 -11.154 1.00 43.23 H new ATOM 0 HB2 LEU A 510 -0.298 -8.067 -9.590 1.00 31.11 H new ATOM 0 HB3 LEU A 510 0.418 -6.552 -9.077 1.00 31.11 H new ATOM 0 HG LEU A 510 -1.724 -6.984 -11.163 1.00 1.24 H new ATOM 0 HD11 LEU A 510 -3.023 -5.464 -9.732 1.00 0.24 H new ATOM 0 HD12 LEU A 510 -2.499 -6.924 -8.858 1.00 0.24 H new ATOM 0 HD13 LEU A 510 -1.658 -5.378 -8.593 1.00 0.24 H new ATOM 0 HD21 LEU A 510 -1.663 -4.566 -11.607 1.00 0.44 H new ATOM 0 HD22 LEU A 510 -0.209 -4.421 -10.591 1.00 0.44 H new ATOM 0 HD23 LEU A 510 -0.154 -5.374 -12.092 1.00 0.44 H new ATOM 1770 N VAL A 511 2.884 -7.627 -9.278 1.00 64.25 N ATOM 1771 CA VAL A 511 4.000 -8.302 -8.638 1.00 43.14 C ATOM 1772 C VAL A 511 3.547 -8.856 -7.285 1.00 22.31 C ATOM 1773 O VAL A 511 3.603 -8.159 -6.274 1.00 71.15 O ATOM 1774 CB VAL A 511 5.193 -7.350 -8.525 1.00 63.41 C ATOM 1775 CG1 VAL A 511 6.246 -7.903 -7.562 1.00 45.52 C ATOM 1776 CG2 VAL A 511 5.803 -7.069 -9.900 1.00 52.23 C ATOM 0 H VAL A 511 2.576 -6.775 -8.809 1.00 64.25 H new ATOM 0 HA VAL A 511 4.332 -9.147 -9.241 1.00 43.14 H new ATOM 0 HB VAL A 511 4.830 -6.405 -8.120 1.00 63.41 H new ATOM 0 HG11 VAL A 511 7.083 -7.208 -7.500 1.00 45.52 H new ATOM 0 HG12 VAL A 511 5.805 -8.029 -6.573 1.00 45.52 H new ATOM 0 HG13 VAL A 511 6.601 -8.867 -7.926 1.00 45.52 H new ATOM 0 HG21 VAL A 511 6.649 -6.390 -9.791 1.00 52.23 H new ATOM 0 HG22 VAL A 511 6.143 -8.004 -10.345 1.00 52.23 H new ATOM 0 HG23 VAL A 511 5.052 -6.613 -10.545 1.00 52.23 H new ATOM 1786 N ARG A 512 3.108 -10.105 -7.311 1.00 3.45 N ATOM 1787 CA ARG A 512 2.645 -10.762 -6.100 1.00 11.32 C ATOM 1788 C ARG A 512 3.708 -10.662 -5.004 1.00 2.44 C ATOM 1789 O ARG A 512 4.734 -11.336 -5.067 1.00 71.43 O ATOM 1790 CB ARG A 512 2.326 -12.235 -6.360 1.00 4.14 C ATOM 1791 CG ARG A 512 2.157 -12.999 -5.044 1.00 43.21 C ATOM 1792 CD ARG A 512 0.959 -12.469 -4.252 1.00 33.43 C ATOM 1793 NE ARG A 512 -0.288 -13.102 -4.736 1.00 53.15 N ATOM 1794 CZ ARG A 512 -0.559 -14.419 -4.628 1.00 40.01 C ATOM 1795 NH1 ARG A 512 0.326 -15.257 -4.049 1.00 72.33 N ATOM 1796 NH2 ARG A 512 -1.706 -14.877 -5.096 1.00 14.52 N ATOM 0 H ARG A 512 3.063 -10.680 -8.152 1.00 3.45 H new ATOM 0 HA ARG A 512 1.735 -10.258 -5.775 1.00 11.32 H new ATOM 0 HB2 ARG A 512 1.414 -12.315 -6.951 1.00 4.14 H new ATOM 0 HB3 ARG A 512 3.126 -12.686 -6.947 1.00 4.14 H new ATOM 0 HG2 ARG A 512 2.020 -14.060 -5.251 1.00 43.21 H new ATOM 0 HG3 ARG A 512 3.063 -12.905 -4.446 1.00 43.21 H new ATOM 0 HD2 ARG A 512 1.094 -12.677 -3.191 1.00 33.43 H new ATOM 0 HD3 ARG A 512 0.892 -11.386 -4.359 1.00 33.43 H new ATOM 0 HE ARG A 512 -0.986 -12.505 -5.179 1.00 53.15 H new ATOM 0 HH11 ARG A 512 1.209 -14.896 -3.688 1.00 72.33 H new ATOM 0 HH12 ARG A 512 0.112 -16.251 -3.972 1.00 72.33 H new ATOM 0 HH21 ARG A 512 -2.371 -14.238 -5.531 1.00 14.52 H new ATOM 0 HH22 ARG A 512 -1.927 -15.870 -5.022 1.00 14.52 H new ATOM 1806 N LEU A 513 3.424 -9.816 -4.025 1.00 42.14 N ATOM 1807 CA LEU A 513 4.343 -9.620 -2.915 1.00 31.32 C ATOM 1808 C LEU A 513 3.911 -10.499 -1.739 1.00 32.23 C ATOM 1809 O LEU A 513 2.734 -10.528 -1.380 1.00 65.50 O ATOM 1810 CB LEU A 513 4.451 -8.135 -2.566 1.00 61.35 C ATOM 1811 CG LEU A 513 5.845 -7.638 -2.174 1.00 41.51 C ATOM 1812 CD1 LEU A 513 6.905 -8.155 -3.150 1.00 63.12 C ATOM 1813 CD2 LEU A 513 5.869 -6.112 -2.055 1.00 1.23 C ATOM 0 H LEU A 513 2.571 -9.258 -3.977 1.00 42.14 H new ATOM 0 HA LEU A 513 5.349 -9.933 -3.193 1.00 31.32 H new ATOM 0 HB2 LEU A 513 4.108 -7.555 -3.422 1.00 61.35 H new ATOM 0 HB3 LEU A 513 3.767 -7.925 -1.744 1.00 61.35 H new ATOM 0 HG LEU A 513 6.089 -8.041 -1.191 1.00 41.51 H new ATOM 0 HD11 LEU A 513 7.886 -7.788 -2.849 1.00 63.12 H new ATOM 0 HD12 LEU A 513 6.907 -9.245 -3.141 1.00 63.12 H new ATOM 0 HD13 LEU A 513 6.677 -7.801 -4.155 1.00 63.12 H new ATOM 0 HD21 LEU A 513 6.870 -5.785 -1.776 1.00 1.23 H new ATOM 0 HD22 LEU A 513 5.596 -5.668 -3.012 1.00 1.23 H new ATOM 0 HD23 LEU A 513 5.158 -5.795 -1.292 1.00 1.23 H new ATOM 1824 N ASP A 514 4.886 -11.194 -1.173 1.00 44.14 N ATOM 1825 CA ASP A 514 4.622 -12.071 -0.044 1.00 15.45 C ATOM 1826 C ASP A 514 5.565 -11.713 1.106 1.00 1.41 C ATOM 1827 O ASP A 514 6.524 -10.967 0.918 1.00 41.15 O ATOM 1828 CB ASP A 514 4.864 -13.535 -0.416 1.00 41.11 C ATOM 1829 CG ASP A 514 4.926 -13.820 -1.919 1.00 54.34 C ATOM 1830 OD1 ASP A 514 3.892 -14.021 -2.574 1.00 63.31 O ATOM 1831 OD2 ASP A 514 6.113 -13.830 -2.424 1.00 62.13 O ATOM 0 H ASP A 514 5.860 -11.168 -1.475 1.00 44.14 H new ATOM 0 HA ASP A 514 3.580 -11.941 0.248 1.00 15.45 H new ATOM 0 HB2 ASP A 514 5.800 -13.860 0.039 1.00 41.11 H new ATOM 0 HB3 ASP A 514 4.070 -14.141 0.021 1.00 41.11 H new ATOM 1836 N GLU A 515 5.257 -12.262 2.273 1.00 70.10 N ATOM 1837 CA GLU A 515 6.066 -12.011 3.453 1.00 42.14 C ATOM 1838 C GLU A 515 6.761 -13.296 3.906 1.00 14.22 C ATOM 1839 O GLU A 515 7.643 -13.261 4.762 1.00 54.54 O ATOM 1840 CB GLU A 515 5.217 -11.419 4.582 1.00 35.41 C ATOM 1841 CG GLU A 515 6.022 -11.327 5.880 1.00 4.34 C ATOM 1842 CD GLU A 515 7.285 -10.487 5.686 1.00 11.13 C ATOM 1843 OE1 GLU A 515 8.268 -10.972 5.104 1.00 12.23 O ATOM 1844 OE2 GLU A 515 7.223 -9.290 6.161 1.00 72.12 O ATOM 0 H GLU A 515 4.459 -12.879 2.426 1.00 70.10 H new ATOM 0 HA GLU A 515 6.832 -11.280 3.195 1.00 42.14 H new ATOM 0 HB2 GLU A 515 4.865 -10.428 4.296 1.00 35.41 H new ATOM 0 HB3 GLU A 515 4.333 -12.037 4.740 1.00 35.41 H new ATOM 0 HG2 GLU A 515 5.405 -10.887 6.664 1.00 4.34 H new ATOM 0 HG3 GLU A 515 6.295 -12.328 6.214 1.00 4.34 H new ATOM 1850 N HIS A 516 6.336 -14.401 3.309 1.00 64.14 N ATOM 1851 CA HIS A 516 6.907 -15.695 3.641 1.00 33.31 C ATOM 1852 C HIS A 516 7.945 -16.083 2.585 1.00 65.52 C ATOM 1853 O HIS A 516 8.719 -17.019 2.785 1.00 53.10 O ATOM 1854 CB HIS A 516 5.808 -16.747 3.806 1.00 72.51 C ATOM 1855 CG HIS A 516 4.571 -16.477 2.985 1.00 72.11 C ATOM 1856 ND1 HIS A 516 3.292 -16.563 3.504 1.00 41.33 N ATOM 1857 CD2 HIS A 516 4.430 -16.120 1.675 1.00 62.40 C ATOM 1858 CE1 HIS A 516 2.429 -16.270 2.543 1.00 2.55 C ATOM 1859 NE2 HIS A 516 3.136 -15.998 1.410 1.00 63.43 N ATOM 0 H HIS A 516 5.604 -14.426 2.599 1.00 64.14 H new ATOM 0 HA HIS A 516 7.420 -15.635 4.601 1.00 33.31 H new ATOM 0 HB2 HIS A 516 6.209 -17.722 3.530 1.00 72.51 H new ATOM 0 HB3 HIS A 516 5.528 -16.803 4.858 1.00 72.51 H new ATOM 0 HD2 HIS A 516 5.236 -15.963 0.973 1.00 62.40 H new ATOM 0 HE1 HIS A 516 1.354 -16.250 2.640 1.00 2.55 H new ATOM 0 HE2 HIS A 516 2.736 -15.743 0.507 1.00 63.43 H new ATOM 1866 N SER A 517 7.929 -15.345 1.486 1.00 71.42 N ATOM 1867 CA SER A 517 8.859 -15.599 0.399 1.00 22.23 C ATOM 1868 C SER A 517 10.240 -15.044 0.751 1.00 32.21 C ATOM 1869 O SER A 517 10.358 -13.908 1.208 1.00 71.20 O ATOM 1870 CB SER A 517 8.358 -14.987 -0.910 1.00 51.54 C ATOM 1871 OG SER A 517 8.716 -15.776 -2.041 1.00 11.05 O ATOM 0 H SER A 517 7.286 -14.570 1.324 1.00 71.42 H new ATOM 0 HA SER A 517 8.933 -16.677 0.258 1.00 22.23 H new ATOM 0 HB2 SER A 517 7.274 -14.883 -0.870 1.00 51.54 H new ATOM 0 HB3 SER A 517 8.771 -13.984 -1.022 1.00 51.54 H new ATOM 0 HG SER A 517 8.376 -15.352 -2.857 1.00 11.05 H new ATOM 1876 N GLN A 518 11.251 -15.870 0.524 1.00 0.13 N ATOM 1877 CA GLN A 518 12.619 -15.475 0.812 1.00 41.13 C ATOM 1878 C GLN A 518 13.155 -14.568 -0.297 1.00 12.51 C ATOM 1879 O GLN A 518 14.314 -14.159 -0.265 1.00 24.41 O ATOM 1880 CB GLN A 518 13.516 -16.700 0.997 1.00 23.35 C ATOM 1881 CG GLN A 518 13.397 -17.653 -0.194 1.00 43.51 C ATOM 1882 CD GLN A 518 14.681 -18.464 -0.378 1.00 22.31 C ATOM 1883 OE1 GLN A 518 14.900 -19.482 0.259 1.00 44.44 O ATOM 1884 NE2 GLN A 518 15.515 -17.960 -1.282 1.00 13.04 N ATOM 0 H GLN A 518 11.150 -16.811 0.144 1.00 0.13 H new ATOM 0 HA GLN A 518 12.625 -14.916 1.747 1.00 41.13 H new ATOM 0 HB2 GLN A 518 14.552 -16.382 1.111 1.00 23.35 H new ATOM 0 HB3 GLN A 518 13.240 -17.222 1.913 1.00 23.35 H new ATOM 0 HG2 GLN A 518 12.555 -18.328 -0.041 1.00 43.51 H new ATOM 0 HG3 GLN A 518 13.189 -17.084 -1.100 1.00 43.51 H new ATOM 0 HE21 GLN A 518 15.271 -17.104 -1.780 1.00 13.04 H new ATOM 0 HE22 GLN A 518 16.399 -18.429 -1.478 1.00 13.04 H new ATOM 1891 N ILE A 519 12.284 -14.279 -1.254 1.00 74.01 N ATOM 1892 CA ILE A 519 12.654 -13.428 -2.371 1.00 51.21 C ATOM 1893 C ILE A 519 11.961 -12.071 -2.224 1.00 14.23 C ATOM 1894 O ILE A 519 12.431 -11.069 -2.762 1.00 53.34 O ATOM 1895 CB ILE A 519 12.360 -14.128 -3.699 1.00 3.01 C ATOM 1896 CG1 ILE A 519 11.696 -13.169 -4.689 1.00 63.03 C ATOM 1897 CG2 ILE A 519 11.527 -15.392 -3.479 1.00 11.24 C ATOM 1898 CD1 ILE A 519 12.700 -12.140 -5.212 1.00 54.32 C ATOM 0 H ILE A 519 11.323 -14.620 -1.278 1.00 74.01 H new ATOM 0 HA ILE A 519 13.728 -13.240 -2.368 1.00 51.21 H new ATOM 0 HB ILE A 519 13.308 -14.439 -4.139 1.00 3.01 H new ATOM 0 HG12 ILE A 519 11.280 -13.733 -5.524 1.00 63.03 H new ATOM 0 HG13 ILE A 519 10.865 -12.657 -4.204 1.00 63.03 H new ATOM 0 HG21 ILE A 519 11.332 -15.871 -4.439 1.00 11.24 H new ATOM 0 HG22 ILE A 519 12.074 -16.080 -2.835 1.00 11.24 H new ATOM 0 HG23 ILE A 519 10.581 -15.127 -3.007 1.00 11.24 H new ATOM 0 HD11 ILE A 519 12.203 -11.470 -5.914 1.00 54.32 H new ATOM 0 HD12 ILE A 519 13.096 -11.562 -4.377 1.00 54.32 H new ATOM 0 HD13 ILE A 519 13.517 -12.654 -5.718 1.00 54.32 H new ATOM 1909 N PHE A 520 10.856 -12.083 -1.495 1.00 42.04 N ATOM 1910 CA PHE A 520 10.094 -10.866 -1.271 1.00 21.22 C ATOM 1911 C PHE A 520 11.022 -9.676 -1.015 1.00 33.24 C ATOM 1912 O PHE A 520 10.722 -8.553 -1.419 1.00 2.02 O ATOM 1913 CB PHE A 520 9.233 -11.101 -0.028 1.00 52.12 C ATOM 1914 CG PHE A 520 8.840 -9.818 0.708 1.00 54.53 C ATOM 1915 CD1 PHE A 520 8.161 -8.838 0.052 1.00 1.50 C ATOM 1916 CD2 PHE A 520 9.170 -9.656 2.018 1.00 72.02 C ATOM 1917 CE1 PHE A 520 7.796 -7.648 0.736 1.00 12.24 C ATOM 1918 CE2 PHE A 520 8.806 -8.465 2.700 1.00 23.32 C ATOM 1919 CZ PHE A 520 8.126 -7.487 2.045 1.00 70.25 C ATOM 0 H PHE A 520 10.469 -12.916 -1.051 1.00 42.04 H new ATOM 0 HA PHE A 520 9.490 -10.639 -2.149 1.00 21.22 H new ATOM 0 HB2 PHE A 520 8.327 -11.632 -0.321 1.00 52.12 H new ATOM 0 HB3 PHE A 520 9.775 -11.751 0.659 1.00 52.12 H new ATOM 0 HD1 PHE A 520 7.900 -8.965 -0.988 1.00 1.50 H new ATOM 0 HD2 PHE A 520 9.709 -10.433 2.539 1.00 72.02 H new ATOM 0 HE1 PHE A 520 7.256 -6.871 0.216 1.00 12.24 H new ATOM 0 HE2 PHE A 520 9.069 -8.336 3.739 1.00 23.32 H new ATOM 0 HZ PHE A 520 7.848 -6.582 2.565 1.00 70.25 H new ATOM 1928 N ALA A 521 12.130 -9.963 -0.350 1.00 23.25 N ATOM 1929 CA ALA A 521 13.105 -8.932 -0.037 1.00 31.13 C ATOM 1930 C ALA A 521 13.524 -8.225 -1.327 1.00 75.11 C ATOM 1931 O ALA A 521 13.564 -6.998 -1.382 1.00 40.54 O ATOM 1932 CB ALA A 521 14.291 -9.556 0.698 1.00 70.41 C ATOM 0 H ALA A 521 12.375 -10.896 -0.018 1.00 23.25 H new ATOM 0 HA ALA A 521 12.671 -8.182 0.624 1.00 31.13 H new ATOM 0 HB1 ALA A 521 15.022 -8.782 0.932 1.00 70.41 H new ATOM 0 HB2 ALA A 521 13.944 -10.019 1.622 1.00 70.41 H new ATOM 0 HB3 ALA A 521 14.754 -10.313 0.065 1.00 70.41 H new ATOM 1938 N ARG A 522 13.825 -9.031 -2.335 1.00 31.22 N ATOM 1939 CA ARG A 522 14.241 -8.499 -3.621 1.00 51.43 C ATOM 1940 C ARG A 522 13.035 -7.936 -4.377 1.00 30.33 C ATOM 1941 O ARG A 522 13.193 -7.137 -5.299 1.00 10.32 O ATOM 1942 CB ARG A 522 14.910 -9.578 -4.475 1.00 45.24 C ATOM 1943 CG ARG A 522 16.263 -9.981 -3.885 1.00 35.32 C ATOM 1944 CD ARG A 522 16.082 -10.901 -2.676 1.00 12.21 C ATOM 1945 NE ARG A 522 17.384 -11.487 -2.287 1.00 24.44 N ATOM 1946 CZ ARG A 522 17.531 -12.444 -1.345 1.00 74.53 C ATOM 1947 NH1 ARG A 522 16.457 -12.930 -0.687 1.00 71.33 N ATOM 1948 NH2 ARG A 522 18.743 -12.895 -1.077 1.00 31.23 N ATOM 0 H ARG A 522 13.789 -10.049 -2.287 1.00 31.22 H new ATOM 0 HA ARG A 522 14.962 -7.703 -3.432 1.00 51.43 H new ATOM 0 HB2 ARG A 522 14.261 -10.452 -4.538 1.00 45.24 H new ATOM 0 HB3 ARG A 522 15.047 -9.209 -5.492 1.00 45.24 H new ATOM 0 HG2 ARG A 522 16.859 -10.486 -4.645 1.00 35.32 H new ATOM 0 HG3 ARG A 522 16.815 -9.089 -3.588 1.00 35.32 H new ATOM 0 HD2 ARG A 522 15.662 -10.340 -1.841 1.00 12.21 H new ATOM 0 HD3 ARG A 522 15.374 -11.694 -2.915 1.00 12.21 H new ATOM 0 HE ARG A 522 18.222 -11.147 -2.759 1.00 24.44 H new ATOM 0 HH11 ARG A 522 15.525 -12.575 -0.900 1.00 71.33 H new ATOM 0 HH12 ARG A 522 16.578 -13.653 0.023 1.00 71.33 H new ATOM 0 HH21 ARG A 522 19.549 -12.521 -1.578 1.00 31.23 H new ATOM 0 HH22 ARG A 522 18.873 -13.617 -0.369 1.00 31.23 H new ATOM 1958 N LYS A 523 11.857 -8.374 -3.957 1.00 21.12 N ATOM 1959 CA LYS A 523 10.625 -7.924 -4.582 1.00 74.42 C ATOM 1960 C LYS A 523 10.327 -6.490 -4.139 1.00 34.45 C ATOM 1961 O LYS A 523 9.962 -5.647 -4.958 1.00 72.15 O ATOM 1962 CB LYS A 523 9.488 -8.905 -4.292 1.00 34.34 C ATOM 1963 CG LYS A 523 9.887 -10.334 -4.669 1.00 55.03 C ATOM 1964 CD LYS A 523 10.388 -10.400 -6.113 1.00 3.45 C ATOM 1965 CE LYS A 523 9.325 -9.887 -7.087 1.00 72.41 C ATOM 1966 NZ LYS A 523 9.830 -9.935 -8.477 1.00 53.40 N ATOM 0 H LYS A 523 11.730 -9.036 -3.191 1.00 21.12 H new ATOM 0 HA LYS A 523 10.733 -7.907 -5.667 1.00 74.42 H new ATOM 0 HB2 LYS A 523 9.228 -8.863 -3.234 1.00 34.34 H new ATOM 0 HB3 LYS A 523 8.599 -8.612 -4.851 1.00 34.34 H new ATOM 0 HG2 LYS A 523 10.666 -10.688 -3.994 1.00 55.03 H new ATOM 0 HG3 LYS A 523 9.032 -10.999 -4.546 1.00 55.03 H new ATOM 0 HD2 LYS A 523 11.296 -9.805 -6.214 1.00 3.45 H new ATOM 0 HD3 LYS A 523 10.650 -11.428 -6.364 1.00 3.45 H new ATOM 0 HE2 LYS A 523 8.422 -10.492 -7.001 1.00 72.41 H new ATOM 0 HE3 LYS A 523 9.050 -8.864 -6.829 1.00 72.41 H new ATOM 0 HZ1 LYS A 523 9.097 -9.584 -9.125 1.00 53.40 H new ATOM 0 HZ2 LYS A 523 10.679 -9.339 -8.559 1.00 53.40 H new ATOM 0 HZ3 LYS A 523 10.070 -10.916 -8.725 1.00 53.40 H new ATOM 1975 N VAL A 524 10.495 -6.257 -2.846 1.00 12.55 N ATOM 1976 CA VAL A 524 10.250 -4.939 -2.285 1.00 2.10 C ATOM 1977 C VAL A 524 11.379 -3.995 -2.699 1.00 52.15 C ATOM 1978 O VAL A 524 11.133 -2.835 -3.030 1.00 0.42 O ATOM 1979 CB VAL A 524 10.082 -5.040 -0.767 1.00 15.52 C ATOM 1980 CG1 VAL A 524 11.435 -4.972 -0.061 1.00 24.31 C ATOM 1981 CG2 VAL A 524 9.135 -3.956 -0.247 1.00 73.23 C ATOM 0 H VAL A 524 10.798 -6.959 -2.170 1.00 12.55 H new ATOM 0 HA VAL A 524 9.321 -4.525 -2.675 1.00 2.10 H new ATOM 0 HB VAL A 524 9.636 -6.009 -0.542 1.00 15.52 H new ATOM 0 HG11 VAL A 524 11.287 -5.046 1.016 1.00 24.31 H new ATOM 0 HG12 VAL A 524 12.063 -5.796 -0.399 1.00 24.31 H new ATOM 0 HG13 VAL A 524 11.921 -4.025 -0.296 1.00 24.31 H new ATOM 0 HG21 VAL A 524 9.033 -4.050 0.834 1.00 73.23 H new ATOM 0 HG22 VAL A 524 9.539 -2.973 -0.489 1.00 73.23 H new ATOM 0 HG23 VAL A 524 8.157 -4.072 -0.715 1.00 73.23 H new ATOM 1991 N ALA A 525 12.592 -4.525 -2.668 1.00 71.41 N ATOM 1992 CA ALA A 525 13.760 -3.742 -3.037 1.00 25.44 C ATOM 1993 C ALA A 525 13.786 -3.556 -4.554 1.00 50.34 C ATOM 1994 O ALA A 525 14.650 -2.858 -5.083 1.00 12.31 O ATOM 1995 CB ALA A 525 15.023 -4.432 -2.512 1.00 14.54 C ATOM 0 H ALA A 525 12.792 -5.487 -2.393 1.00 71.41 H new ATOM 0 HA ALA A 525 13.717 -2.751 -2.585 1.00 25.44 H new ATOM 0 HB1 ALA A 525 15.899 -3.846 -2.788 1.00 14.54 H new ATOM 0 HB2 ALA A 525 14.968 -4.514 -1.426 1.00 14.54 H new ATOM 0 HB3 ALA A 525 15.101 -5.428 -2.947 1.00 14.54 H new ATOM 2001 N ASN A 526 12.827 -4.190 -5.212 1.00 60.50 N ATOM 2002 CA ASN A 526 12.728 -4.102 -6.660 1.00 5.23 C ATOM 2003 C ASN A 526 11.738 -2.997 -7.032 1.00 73.20 C ATOM 2004 O ASN A 526 11.957 -2.261 -7.993 1.00 51.02 O ATOM 2005 CB ASN A 526 12.218 -5.415 -7.258 1.00 42.32 C ATOM 2006 CG ASN A 526 13.380 -6.281 -7.750 1.00 4.32 C ATOM 2007 OD1 ASN A 526 14.446 -5.798 -8.093 1.00 20.25 O ATOM 2008 ND2 ASN A 526 13.114 -7.584 -7.763 1.00 14.53 N ATOM 0 H ASN A 526 12.111 -4.767 -4.770 1.00 60.50 H new ATOM 0 HA ASN A 526 13.722 -3.888 -7.054 1.00 5.23 H new ATOM 0 HB2 ASN A 526 11.644 -5.961 -6.509 1.00 42.32 H new ATOM 0 HB3 ASN A 526 11.541 -5.203 -8.086 1.00 42.32 H new ATOM 0 HD21 ASN A 526 13.825 -8.247 -8.074 1.00 14.53 H new ATOM 0 HD22 ASN A 526 12.199 -7.921 -7.462 1.00 14.53 H new ATOM 2014 N THR A 527 10.669 -2.915 -6.252 1.00 33.41 N ATOM 2015 CA THR A 527 9.646 -1.912 -6.489 1.00 55.32 C ATOM 2016 C THR A 527 9.886 -0.686 -5.605 1.00 41.11 C ATOM 2017 O THR A 527 9.968 0.436 -6.103 1.00 5.40 O ATOM 2018 CB THR A 527 8.282 -2.567 -6.263 1.00 42.43 C ATOM 2019 OG1 THR A 527 7.348 -1.526 -6.539 1.00 12.02 O ATOM 2020 CG2 THR A 527 8.034 -2.909 -4.793 1.00 1.21 C ATOM 0 H THR A 527 10.490 -3.527 -5.456 1.00 33.41 H new ATOM 0 HA THR A 527 9.681 -1.545 -7.515 1.00 55.32 H new ATOM 0 HB THR A 527 8.210 -3.473 -6.864 1.00 42.43 H new ATOM 0 HG1 THR A 527 6.541 -1.659 -5.999 1.00 12.02 H new ATOM 0 HG21 THR A 527 7.053 -3.371 -4.688 1.00 1.21 H new ATOM 0 HG22 THR A 527 8.801 -3.602 -4.446 1.00 1.21 H new ATOM 0 HG23 THR A 527 8.072 -1.998 -4.196 1.00 1.21 H new ATOM 2028 N PHE A 528 9.992 -0.943 -4.310 1.00 44.12 N ATOM 2029 CA PHE A 528 10.221 0.126 -3.353 1.00 24.32 C ATOM 2030 C PHE A 528 11.714 0.429 -3.216 1.00 20.31 C ATOM 2031 O PHE A 528 12.242 0.484 -2.106 1.00 33.12 O ATOM 2032 CB PHE A 528 9.686 -0.360 -2.003 1.00 32.41 C ATOM 2033 CG PHE A 528 8.160 -0.380 -1.910 1.00 11.50 C ATOM 2034 CD1 PHE A 528 7.463 0.788 -1.906 1.00 63.02 C ATOM 2035 CD2 PHE A 528 7.498 -1.566 -1.831 1.00 14.35 C ATOM 2036 CE1 PHE A 528 6.046 0.770 -1.819 1.00 41.43 C ATOM 2037 CE2 PHE A 528 6.080 -1.584 -1.744 1.00 24.33 C ATOM 2038 CZ PHE A 528 5.385 -0.415 -1.740 1.00 12.31 C ATOM 0 H PHE A 528 9.924 -1.875 -3.901 1.00 44.12 H new ATOM 0 HA PHE A 528 9.722 1.036 -3.686 1.00 24.32 H new ATOM 0 HB2 PHE A 528 10.065 -1.365 -1.814 1.00 32.41 H new ATOM 0 HB3 PHE A 528 10.079 0.282 -1.215 1.00 32.41 H new ATOM 0 HD1 PHE A 528 7.988 1.730 -1.969 1.00 63.02 H new ATOM 0 HD2 PHE A 528 8.051 -2.494 -1.834 1.00 14.35 H new ATOM 0 HE1 PHE A 528 5.493 1.698 -1.816 1.00 41.43 H new ATOM 0 HE2 PHE A 528 5.554 -2.525 -1.681 1.00 24.33 H new ATOM 0 HZ PHE A 528 4.307 -0.428 -1.674 1.00 12.31 H new ATOM 2047 N LYS A 529 12.354 0.619 -4.361 1.00 13.41 N ATOM 2048 CA LYS A 529 13.776 0.915 -4.384 1.00 62.44 C ATOM 2049 C LYS A 529 14.030 2.228 -3.638 1.00 20.44 C ATOM 2050 O LYS A 529 13.117 3.030 -3.459 1.00 44.43 O ATOM 2051 CB LYS A 529 14.301 0.911 -5.821 1.00 62.05 C ATOM 2052 CG LYS A 529 14.438 -0.518 -6.351 1.00 41.33 C ATOM 2053 CD LYS A 529 14.424 -0.539 -7.880 1.00 54.52 C ATOM 2054 CE LYS A 529 15.079 -1.812 -8.417 1.00 1.25 C ATOM 2055 NZ LYS A 529 15.673 -1.568 -9.751 1.00 43.20 N ATOM 0 H LYS A 529 11.913 0.574 -5.280 1.00 13.41 H new ATOM 0 HA LYS A 529 14.336 0.138 -3.864 1.00 62.44 H new ATOM 0 HB2 LYS A 529 13.624 1.477 -6.461 1.00 62.05 H new ATOM 0 HB3 LYS A 529 15.269 1.411 -5.860 1.00 62.05 H new ATOM 0 HG2 LYS A 529 15.366 -0.958 -5.986 1.00 41.33 H new ATOM 0 HG3 LYS A 529 13.623 -1.132 -5.968 1.00 41.33 H new ATOM 0 HD2 LYS A 529 13.397 -0.475 -8.239 1.00 54.52 H new ATOM 0 HD3 LYS A 529 14.950 0.335 -8.264 1.00 54.52 H new ATOM 0 HE2 LYS A 529 15.851 -2.150 -7.725 1.00 1.25 H new ATOM 0 HE3 LYS A 529 14.338 -2.609 -8.483 1.00 1.25 H new ATOM 0 HZ1 LYS A 529 16.113 -2.443 -10.100 1.00 43.20 H new ATOM 0 HZ2 LYS A 529 14.929 -1.267 -10.412 1.00 43.20 H new ATOM 0 HZ3 LYS A 529 16.394 -0.822 -9.679 1.00 43.20 H new ATOM 2064 N PRO A 530 15.311 2.409 -3.216 1.00 21.23 N ATOM 2065 CA PRO A 530 15.697 3.610 -2.495 1.00 54.24 C ATOM 2066 C PRO A 530 15.803 4.807 -3.443 1.00 63.33 C ATOM 2067 O PRO A 530 15.524 5.940 -3.051 1.00 64.13 O ATOM 2068 CB PRO A 530 17.018 3.261 -1.830 1.00 41.30 C ATOM 2069 CG PRO A 530 17.551 2.047 -2.573 1.00 52.25 C ATOM 2070 CD PRO A 530 16.420 1.481 -3.412 1.00 3.13 C ATOM 0 HA PRO A 530 14.959 3.911 -1.751 1.00 54.24 H new ATOM 0 HB2 PRO A 530 17.718 4.094 -1.891 1.00 41.30 H new ATOM 0 HB3 PRO A 530 16.876 3.040 -0.772 1.00 41.30 H new ATOM 0 HG2 PRO A 530 18.393 2.326 -3.206 1.00 52.25 H new ATOM 0 HG3 PRO A 530 17.916 1.299 -1.869 1.00 52.25 H new ATOM 0 HD2 PRO A 530 16.701 1.417 -4.463 1.00 3.13 H new ATOM 0 HD3 PRO A 530 16.155 0.474 -3.091 1.00 3.13 H new ATOM 2075 N HIS A 531 16.206 4.517 -4.670 1.00 63.51 N ATOM 2076 CA HIS A 531 16.352 5.555 -5.676 1.00 61.31 C ATOM 2077 C HIS A 531 14.970 6.068 -6.088 1.00 71.44 C ATOM 2078 O HIS A 531 14.862 7.057 -6.812 1.00 23.45 O ATOM 2079 CB HIS A 531 17.176 5.050 -6.863 1.00 3.11 C ATOM 2080 CG HIS A 531 16.398 4.187 -7.826 1.00 33.40 C ATOM 2081 ND1 HIS A 531 15.215 4.409 -8.466 1.00 52.11 N flip ATOM 2082 CD2 HIS A 531 16.829 2.932 -8.224 1.00 34.04 C flip ATOM 2083 CE1 HIS A 531 14.938 3.348 -9.217 1.00 21.44 C flip ATOM 2084 NE2 HIS A 531 15.936 2.433 -9.067 1.00 42.33 N flip ATOM 0 H HIS A 531 16.436 3.577 -4.991 1.00 63.51 H new ATOM 0 HA HIS A 531 16.904 6.397 -5.258 1.00 61.31 H new ATOM 0 HB2 HIS A 531 17.579 5.907 -7.403 1.00 3.11 H new ATOM 0 HB3 HIS A 531 18.026 4.481 -6.486 1.00 3.11 H new ATOM 0 HD2 HIS A 531 17.737 2.444 -7.902 1.00 34.04 H new ATOM 0 HE1 HIS A 531 14.066 3.231 -9.843 1.00 21.44 H new ATOM 0 HE2 HIS A 531 15.987 1.522 -9.524 1.00 42.33 H new ATOM 2091 N ARG A 532 13.950 5.372 -5.610 1.00 44.25 N ATOM 2092 CA ARG A 532 12.580 5.745 -5.919 1.00 42.31 C ATOM 2093 C ARG A 532 11.953 6.489 -4.739 1.00 50.21 C ATOM 2094 O ARG A 532 11.446 7.599 -4.897 1.00 31.23 O ATOM 2095 CB ARG A 532 11.735 4.513 -6.245 1.00 5.24 C ATOM 2096 CG ARG A 532 12.354 3.709 -7.390 1.00 51.44 C ATOM 2097 CD ARG A 532 12.188 4.440 -8.724 1.00 33.21 C ATOM 2098 NE ARG A 532 10.753 4.533 -9.075 1.00 33.20 N ATOM 2099 CZ ARG A 532 10.237 5.456 -9.915 1.00 34.24 C ATOM 2100 NH1 ARG A 532 11.039 6.374 -10.498 1.00 40.52 N ATOM 2101 NH2 ARG A 532 8.941 5.447 -10.158 1.00 2.53 N ATOM 0 H ARG A 532 14.044 4.552 -5.011 1.00 44.25 H new ATOM 0 HA ARG A 532 12.602 6.397 -6.792 1.00 42.31 H new ATOM 0 HB2 ARG A 532 11.648 3.883 -5.360 1.00 5.24 H new ATOM 0 HB3 ARG A 532 10.726 4.822 -6.517 1.00 5.24 H new ATOM 0 HG2 ARG A 532 13.413 3.542 -7.192 1.00 51.44 H new ATOM 0 HG3 ARG A 532 11.882 2.728 -7.447 1.00 51.44 H new ATOM 0 HD2 ARG A 532 12.620 5.439 -8.657 1.00 33.21 H new ATOM 0 HD3 ARG A 532 12.729 3.910 -9.508 1.00 33.21 H new ATOM 0 HE ARG A 532 10.114 3.858 -8.656 1.00 33.20 H new ATOM 0 HH11 ARG A 532 12.040 6.373 -10.305 1.00 40.52 H new ATOM 0 HH12 ARG A 532 10.643 7.068 -11.131 1.00 40.52 H new ATOM 0 HH21 ARG A 532 8.344 4.750 -9.714 1.00 2.53 H new ATOM 0 HH22 ARG A 532 8.536 6.137 -10.790 1.00 2.53 H new ATOM 2111 N LEU A 533 12.006 5.847 -3.580 1.00 11.31 N ATOM 2112 CA LEU A 533 11.449 6.434 -2.374 1.00 62.13 C ATOM 2113 C LEU A 533 11.897 7.894 -2.267 1.00 15.24 C ATOM 2114 O LEU A 533 11.068 8.803 -2.264 1.00 61.30 O ATOM 2115 CB LEU A 533 11.809 5.590 -1.151 1.00 64.33 C ATOM 2116 CG LEU A 533 10.796 4.514 -0.754 1.00 73.15 C ATOM 2117 CD1 LEU A 533 9.374 5.078 -0.746 1.00 53.15 C ATOM 2118 CD2 LEU A 533 10.919 3.285 -1.658 1.00 42.42 C ATOM 0 H LEU A 533 12.426 4.926 -3.452 1.00 11.31 H new ATOM 0 HA LEU A 533 10.360 6.437 -2.421 1.00 62.13 H new ATOM 0 HB2 LEU A 533 12.768 5.106 -1.338 1.00 64.33 H new ATOM 0 HB3 LEU A 533 11.950 6.259 -0.302 1.00 64.33 H new ATOM 0 HG LEU A 533 11.021 4.191 0.262 1.00 73.15 H new ATOM 0 HD11 LEU A 533 8.673 4.294 -0.461 1.00 53.15 H new ATOM 0 HD12 LEU A 533 9.312 5.898 -0.031 1.00 53.15 H new ATOM 0 HD13 LEU A 533 9.123 5.445 -1.741 1.00 53.15 H new ATOM 0 HD21 LEU A 533 10.188 2.536 -1.355 1.00 42.42 H new ATOM 0 HD22 LEU A 533 10.734 3.574 -2.693 1.00 42.42 H new ATOM 0 HD23 LEU A 533 11.923 2.869 -1.572 1.00 42.42 H new ATOM 2129 N GLN A 534 13.207 8.072 -2.183 1.00 74.20 N ATOM 2130 CA GLN A 534 13.776 9.405 -2.078 1.00 42.21 C ATOM 2131 C GLN A 534 13.214 10.311 -3.177 1.00 63.32 C ATOM 2132 O GLN A 534 12.920 11.479 -2.931 1.00 52.14 O ATOM 2133 CB GLN A 534 15.304 9.355 -2.136 1.00 53.12 C ATOM 2134 CG GLN A 534 15.801 9.412 -3.582 1.00 11.51 C ATOM 2135 CD GLN A 534 17.293 9.085 -3.663 1.00 53.21 C ATOM 2136 OE1 GLN A 534 18.136 9.951 -3.834 1.00 14.53 O ATOM 2137 NE2 GLN A 534 17.571 7.791 -3.532 1.00 73.41 N ATOM 0 H GLN A 534 13.891 7.315 -2.186 1.00 74.20 H new ATOM 0 HA GLN A 534 13.496 9.823 -1.111 1.00 42.21 H new ATOM 0 HB2 GLN A 534 15.720 10.190 -1.572 1.00 53.12 H new ATOM 0 HB3 GLN A 534 15.660 8.440 -1.661 1.00 53.12 H new ATOM 0 HG2 GLN A 534 15.237 8.706 -4.192 1.00 11.51 H new ATOM 0 HG3 GLN A 534 15.620 10.405 -3.993 1.00 11.51 H new ATOM 0 HE21 GLN A 534 16.817 7.119 -3.391 1.00 73.41 H new ATOM 0 HE22 GLN A 534 18.539 7.471 -3.572 1.00 73.41 H new ATOM 2144 N ALA A 535 13.083 9.737 -4.363 1.00 21.30 N ATOM 2145 CA ALA A 535 12.562 10.476 -5.499 1.00 72.32 C ATOM 2146 C ALA A 535 11.064 10.716 -5.304 1.00 4.14 C ATOM 2147 O ALA A 535 10.500 11.646 -5.877 1.00 21.14 O ATOM 2148 CB ALA A 535 12.869 9.714 -6.791 1.00 5.42 C ATOM 0 H ALA A 535 13.329 8.767 -4.562 1.00 21.30 H new ATOM 0 HA ALA A 535 13.044 11.451 -5.575 1.00 72.32 H new ATOM 0 HB1 ALA A 535 12.477 10.270 -7.643 1.00 5.42 H new ATOM 0 HB2 ALA A 535 13.948 9.599 -6.898 1.00 5.42 H new ATOM 0 HB3 ALA A 535 12.401 8.730 -6.753 1.00 5.42 H new ATOM 2154 N ARG A 536 10.462 9.858 -4.491 1.00 13.34 N ATOM 2155 CA ARG A 536 9.040 9.963 -4.214 1.00 32.14 C ATOM 2156 C ARG A 536 8.789 10.998 -3.114 1.00 11.31 C ATOM 2157 O ARG A 536 7.761 11.672 -3.114 1.00 43.23 O ATOM 2158 CB ARG A 536 8.462 8.615 -3.779 1.00 73.42 C ATOM 2159 CG ARG A 536 7.724 7.937 -4.934 1.00 21.44 C ATOM 2160 CD ARG A 536 8.480 8.122 -6.252 1.00 23.32 C ATOM 2161 NE ARG A 536 7.767 9.092 -7.112 1.00 21.32 N ATOM 2162 CZ ARG A 536 8.292 9.640 -8.228 1.00 55.23 C ATOM 2163 NH1 ARG A 536 9.538 9.317 -8.630 1.00 31.24 N ATOM 2164 NH2 ARG A 536 7.564 10.498 -8.922 1.00 23.44 N ATOM 0 H ARG A 536 10.934 9.088 -4.016 1.00 13.34 H new ATOM 0 HA ARG A 536 8.545 10.277 -5.133 1.00 32.14 H new ATOM 0 HB2 ARG A 536 9.265 7.968 -3.426 1.00 73.42 H new ATOM 0 HB3 ARG A 536 7.779 8.761 -2.942 1.00 73.42 H new ATOM 0 HG2 ARG A 536 7.609 6.874 -4.723 1.00 21.44 H new ATOM 0 HG3 ARG A 536 6.721 8.354 -5.024 1.00 21.44 H new ATOM 0 HD2 ARG A 536 9.492 8.474 -6.054 1.00 23.32 H new ATOM 0 HD3 ARG A 536 8.571 7.165 -6.766 1.00 23.32 H new ATOM 0 HE ARG A 536 6.821 9.363 -6.845 1.00 21.32 H new ATOM 0 HH11 ARG A 536 10.092 8.653 -8.089 1.00 31.24 H new ATOM 0 HH12 ARG A 536 9.926 9.736 -9.475 1.00 31.24 H new ATOM 0 HH21 ARG A 536 6.622 10.736 -8.611 1.00 23.44 H new ATOM 0 HH22 ARG A 536 7.944 10.922 -9.768 1.00 23.44 H new ATOM 2174 N LYS A 537 9.747 11.089 -2.203 1.00 74.20 N ATOM 2175 CA LYS A 537 9.644 12.029 -1.100 1.00 24.41 C ATOM 2176 C LYS A 537 10.438 13.293 -1.437 1.00 62.31 C ATOM 2177 O LYS A 537 10.404 14.269 -0.688 1.00 15.12 O ATOM 2178 CB LYS A 537 10.070 11.366 0.211 1.00 23.52 C ATOM 2179 CG LYS A 537 11.587 11.167 0.257 1.00 25.13 C ATOM 2180 CD LYS A 537 11.952 9.917 1.061 1.00 10.40 C ATOM 2181 CE LYS A 537 13.407 9.974 1.532 1.00 31.11 C ATOM 2182 NZ LYS A 537 13.519 10.781 2.768 1.00 20.51 N ATOM 0 H LYS A 537 10.598 10.527 -2.206 1.00 74.20 H new ATOM 0 HA LYS A 537 8.607 12.333 -0.954 1.00 24.41 H new ATOM 0 HB2 LYS A 537 9.755 11.982 1.053 1.00 23.52 H new ATOM 0 HB3 LYS A 537 9.570 10.403 0.315 1.00 23.52 H new ATOM 0 HG2 LYS A 537 11.977 11.078 -0.757 1.00 25.13 H new ATOM 0 HG3 LYS A 537 12.059 12.042 0.704 1.00 25.13 H new ATOM 0 HD2 LYS A 537 11.290 9.828 1.923 1.00 10.40 H new ATOM 0 HD3 LYS A 537 11.799 9.029 0.448 1.00 10.40 H new ATOM 0 HE2 LYS A 537 13.776 8.965 1.714 1.00 31.11 H new ATOM 0 HE3 LYS A 537 14.032 10.406 0.750 1.00 31.11 H new ATOM 0 HZ1 LYS A 537 14.512 10.810 3.075 1.00 20.51 H new ATOM 0 HZ2 LYS A 537 13.186 11.748 2.582 1.00 20.51 H new ATOM 0 HZ3 LYS A 537 12.938 10.352 3.516 1.00 20.51 H new ATOM 2191 N ALA A 538 11.135 13.234 -2.562 1.00 10.02 N ATOM 2192 CA ALA A 538 11.936 14.361 -3.007 1.00 45.03 C ATOM 2193 C ALA A 538 11.046 15.601 -3.116 1.00 64.44 C ATOM 2194 O ALA A 538 11.545 16.727 -3.135 1.00 10.33 O ATOM 2195 CB ALA A 538 12.616 14.013 -4.331 1.00 74.33 C ATOM 0 H ALA A 538 11.161 12.422 -3.179 1.00 10.02 H new ATOM 0 HA ALA A 538 12.723 14.582 -2.286 1.00 45.03 H new ATOM 0 HB1 ALA A 538 13.217 14.859 -4.665 1.00 74.33 H new ATOM 0 HB2 ALA A 538 13.259 13.144 -4.192 1.00 74.33 H new ATOM 0 HB3 ALA A 538 11.858 13.788 -5.081 1.00 74.33 H new ATOM 2201 N MET A 539 9.747 15.355 -3.183 1.00 13.13 N ATOM 2202 CA MET A 539 8.783 16.438 -3.290 1.00 24.43 C ATOM 2203 C MET A 539 8.179 16.770 -1.924 1.00 35.22 C ATOM 2204 O MET A 539 7.598 17.839 -1.742 1.00 22.51 O ATOM 2205 CB MET A 539 7.669 16.036 -4.257 1.00 23.32 C ATOM 2206 CG MET A 539 8.241 15.354 -5.501 1.00 73.42 C ATOM 2207 SD MET A 539 6.915 14.740 -6.526 1.00 62.22 S ATOM 2208 CE MET A 539 6.872 13.037 -5.990 1.00 71.40 C ATOM 0 H MET A 539 9.338 14.421 -3.165 1.00 13.13 H new ATOM 0 HA MET A 539 9.298 17.323 -3.664 1.00 24.43 H new ATOM 0 HB2 MET A 539 6.974 15.362 -3.756 1.00 23.32 H new ATOM 0 HB3 MET A 539 7.102 16.919 -4.551 1.00 23.32 H new ATOM 0 HG2 MET A 539 8.850 16.060 -6.065 1.00 73.42 H new ATOM 0 HG3 MET A 539 8.895 14.533 -5.207 1.00 73.42 H new ATOM 0 HE1 MET A 539 6.181 12.475 -6.618 1.00 71.40 H new ATOM 0 HE2 MET A 539 7.869 12.605 -6.071 1.00 71.40 H new ATOM 0 HE3 MET A 539 6.539 12.990 -4.953 1.00 71.40 H new ATOM 2216 N TRP A 540 8.338 15.836 -0.998 1.00 34.40 N ATOM 2217 CA TRP A 540 7.817 16.017 0.345 1.00 51.12 C ATOM 2218 C TRP A 540 8.979 16.426 1.254 1.00 14.35 C ATOM 2219 O TRP A 540 8.768 16.811 2.402 1.00 33.32 O ATOM 2220 CB TRP A 540 7.096 14.755 0.828 1.00 54.35 C ATOM 2221 CG TRP A 540 6.810 14.739 2.330 1.00 72.30 C ATOM 2222 CD1 TRP A 540 7.634 14.373 3.322 1.00 64.02 C ATOM 2223 CD2 TRP A 540 5.578 15.121 2.976 1.00 63.35 C ATOM 2224 NE1 TRP A 540 7.024 14.491 4.555 1.00 65.41 N ATOM 2225 CE2 TRP A 540 5.735 14.961 4.338 1.00 51.32 C ATOM 2226 CE3 TRP A 540 4.370 15.587 2.427 1.00 35.31 C ATOM 2227 CZ2 TRP A 540 4.724 15.243 5.264 1.00 62.24 C ATOM 2228 CZ3 TRP A 540 3.370 15.865 3.367 1.00 12.42 C ATOM 2229 CH2 TRP A 540 3.511 15.708 4.740 1.00 62.20 C ATOM 0 H TRP A 540 8.821 14.951 -1.152 1.00 34.40 H new ATOM 0 HA TRP A 540 7.067 16.807 0.363 1.00 51.12 H new ATOM 0 HB2 TRP A 540 6.154 14.658 0.288 1.00 54.35 H new ATOM 0 HB3 TRP A 540 7.700 13.884 0.574 1.00 54.35 H new ATOM 0 HD1 TRP A 540 8.647 14.029 3.175 1.00 64.02 H new ATOM 0 HE1 TRP A 540 7.443 14.273 5.459 1.00 65.41 H new ATOM 0 HE3 TRP A 540 4.225 15.720 1.365 1.00 35.31 H new ATOM 0 HZ2 TRP A 540 4.871 15.109 6.326 1.00 62.24 H new ATOM 0 HZ3 TRP A 540 2.422 16.227 2.998 1.00 12.42 H new ATOM 0 HH2 TRP A 540 2.689 15.943 5.400 1.00 62.20 H new ATOM 2239 N ARG A 541 10.180 16.327 0.704 1.00 74.02 N ATOM 2240 CA ARG A 541 11.376 16.682 1.449 1.00 44.11 C ATOM 2241 C ARG A 541 11.646 18.183 1.335 1.00 64.14 C ATOM 2242 O ARG A 541 12.339 18.758 2.174 1.00 32.41 O ATOM 2243 CB ARG A 541 12.593 15.911 0.936 1.00 10.20 C ATOM 2244 CG ARG A 541 13.137 16.536 -0.350 1.00 53.44 C ATOM 2245 CD ARG A 541 14.306 15.722 -0.905 1.00 1.05 C ATOM 2246 NE ARG A 541 15.563 16.113 -0.230 1.00 54.45 N ATOM 2247 CZ ARG A 541 16.740 15.476 -0.392 1.00 21.42 C ATOM 2248 NH1 ARG A 541 16.833 14.406 -1.211 1.00 2.34 N ATOM 2249 NH2 ARG A 541 17.801 15.912 0.262 1.00 2.30 N ATOM 0 H ARG A 541 10.351 16.006 -0.249 1.00 74.02 H new ATOM 0 HA ARG A 541 11.207 16.418 2.493 1.00 44.11 H new ATOM 0 HB2 ARG A 541 13.372 15.904 1.699 1.00 10.20 H new ATOM 0 HB3 ARG A 541 12.319 14.872 0.752 1.00 10.20 H new ATOM 0 HG2 ARG A 541 12.343 16.593 -1.095 1.00 53.44 H new ATOM 0 HG3 ARG A 541 13.462 17.557 -0.152 1.00 53.44 H new ATOM 0 HD2 ARG A 541 14.121 14.658 -0.758 1.00 1.05 H new ATOM 0 HD3 ARG A 541 14.395 15.885 -1.979 1.00 1.05 H new ATOM 0 HE ARG A 541 15.537 16.916 0.398 1.00 54.45 H new ATOM 0 HH11 ARG A 541 16.009 14.074 -1.712 1.00 2.34 H new ATOM 0 HH12 ARG A 541 17.727 13.930 -1.328 1.00 2.34 H new ATOM 0 HH21 ARG A 541 17.723 16.720 0.879 1.00 2.30 H new ATOM 0 HH22 ARG A 541 18.699 15.441 0.150 1.00 2.30 H new ATOM 2259 N LYS A 542 11.085 18.776 0.292 1.00 43.44 N ATOM 2260 CA LYS A 542 11.257 20.200 0.058 1.00 43.40 C ATOM 2261 C LYS A 542 10.861 20.972 1.319 1.00 20.54 C ATOM 2262 O LYS A 542 11.272 22.115 1.506 1.00 73.11 O ATOM 2263 CB LYS A 542 10.490 20.633 -1.193 1.00 74.15 C ATOM 2264 CG LYS A 542 11.139 20.066 -2.458 1.00 23.10 C ATOM 2265 CD LYS A 542 10.630 20.788 -3.706 1.00 11.24 C ATOM 2266 CE LYS A 542 9.103 20.715 -3.796 1.00 74.14 C ATOM 2267 NZ LYS A 542 8.633 21.290 -5.078 1.00 64.11 N ATOM 0 H LYS A 542 10.511 18.296 -0.401 1.00 43.44 H new ATOM 0 HA LYS A 542 12.304 20.429 -0.141 1.00 43.40 H new ATOM 0 HB2 LYS A 542 9.457 20.293 -1.126 1.00 74.15 H new ATOM 0 HB3 LYS A 542 10.464 21.721 -1.250 1.00 74.15 H new ATOM 0 HG2 LYS A 542 12.222 20.167 -2.392 1.00 23.10 H new ATOM 0 HG3 LYS A 542 10.922 19.001 -2.536 1.00 23.10 H new ATOM 0 HD2 LYS A 542 10.947 21.831 -3.683 1.00 11.24 H new ATOM 0 HD3 LYS A 542 11.072 20.340 -4.596 1.00 11.24 H new ATOM 0 HE2 LYS A 542 8.777 19.678 -3.714 1.00 74.14 H new ATOM 0 HE3 LYS A 542 8.657 21.257 -2.962 1.00 74.14 H new ATOM 0 HZ1 LYS A 542 7.596 21.233 -5.124 1.00 64.11 H new ATOM 0 HZ2 LYS A 542 8.929 22.285 -5.141 1.00 64.11 H new ATOM 0 HZ3 LYS A 542 9.045 20.756 -5.870 1.00 64.11 H new ATOM 2276 N GLU A 543 10.068 20.314 2.152 1.00 33.52 N ATOM 2277 CA GLU A 543 9.613 20.923 3.390 1.00 3.13 C ATOM 2278 C GLU A 543 10.482 20.459 4.561 1.00 51.24 C ATOM 2279 O GLU A 543 10.556 21.131 5.588 1.00 43.52 O ATOM 2280 CB GLU A 543 8.138 20.609 3.646 1.00 33.41 C ATOM 2281 CG GLU A 543 7.234 21.459 2.751 1.00 53.22 C ATOM 2282 CD GLU A 543 7.018 22.850 3.353 1.00 52.20 C ATOM 2283 OE1 GLU A 543 6.349 23.694 2.739 1.00 64.44 O ATOM 2284 OE2 GLU A 543 7.574 23.038 4.501 1.00 53.35 O ATOM 0 H GLU A 543 9.729 19.365 1.994 1.00 33.52 H new ATOM 0 HA GLU A 543 9.710 22.005 3.296 1.00 3.13 H new ATOM 0 HB2 GLU A 543 7.950 19.552 3.460 1.00 33.41 H new ATOM 0 HB3 GLU A 543 7.899 20.796 4.693 1.00 33.41 H new ATOM 0 HG2 GLU A 543 7.680 21.553 1.761 1.00 53.22 H new ATOM 0 HG3 GLU A 543 6.273 20.962 2.621 1.00 53.22 H new ATOM 2290 N GLN A 544 11.120 19.314 4.367 1.00 22.35 N ATOM 2291 CA GLN A 544 11.981 18.753 5.393 1.00 55.20 C ATOM 2292 C GLN A 544 13.312 19.506 5.439 1.00 44.03 C ATOM 2293 O GLN A 544 13.796 19.854 6.517 1.00 13.44 O ATOM 2294 CB GLN A 544 12.206 17.257 5.163 1.00 52.02 C ATOM 2295 CG GLN A 544 10.881 16.537 4.900 1.00 71.12 C ATOM 2296 CD GLN A 544 10.135 16.267 6.207 1.00 73.31 C ATOM 2297 OE1 GLN A 544 10.532 15.448 7.020 1.00 71.15 O ATOM 2298 NE2 GLN A 544 9.036 16.998 6.365 1.00 55.35 N ATOM 0 H GLN A 544 11.057 18.759 3.513 1.00 22.35 H new ATOM 0 HA GLN A 544 11.486 18.869 6.357 1.00 55.20 H new ATOM 0 HB2 GLN A 544 12.877 17.113 4.316 1.00 52.02 H new ATOM 0 HB3 GLN A 544 12.694 16.821 6.034 1.00 52.02 H new ATOM 0 HG2 GLN A 544 10.259 17.142 4.240 1.00 71.12 H new ATOM 0 HG3 GLN A 544 11.071 15.596 4.384 1.00 71.12 H new ATOM 0 HE21 GLN A 544 8.760 17.666 5.645 1.00 55.35 H new ATOM 0 HE22 GLN A 544 8.469 16.891 7.206 1.00 55.35 H new ATOM 2305 N ASP A 545 13.867 19.738 4.259 1.00 54.31 N ATOM 2306 CA ASP A 545 15.131 20.444 4.151 1.00 54.12 C ATOM 2307 C ASP A 545 15.100 21.679 5.055 1.00 54.44 C ATOM 2308 O ASP A 545 16.143 22.150 5.505 1.00 32.41 O ATOM 2309 CB ASP A 545 15.380 20.914 2.716 1.00 50.54 C ATOM 2310 CG ASP A 545 16.842 21.213 2.378 1.00 4.52 C ATOM 2311 OD1 ASP A 545 17.606 21.705 3.221 1.00 1.43 O ATOM 2312 OD2 ASP A 545 17.194 20.916 1.174 1.00 11.24 O ATOM 0 H ASP A 545 13.463 19.449 3.368 1.00 54.31 H new ATOM 0 HA ASP A 545 15.925 19.759 4.449 1.00 54.12 H new ATOM 0 HB2 ASP A 545 15.013 20.150 2.031 1.00 50.54 H new ATOM 0 HB3 ASP A 545 14.790 21.813 2.537 1.00 50.54 H new TER 2317 ASP A 545