USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 444 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 NoAdj-H: A 440 HIS HE2 : A 440 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD NoAdj-H: A 444 HIS HE2 : A 444 HIS NE2 : A 447 ZNZN :(H bumps) USER MOD Single : A 390 SER OG : rot 23:sc= 0.289 USER MOD Single : A 393 SER OG : rot 180:sc= 0 USER MOD Single : A 395 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0425) USER MOD Single : A 396 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 397 CYS SG : rot 20:sc= -0.892 USER MOD Single : A 400 CYS SG : rot 180:sc= -0.276 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 406 CYS SG : rot 180:sc= 0 USER MOD Single : A 408 HIS : no HE2:sc= -0.426 X(o=-0.43,f=-0.42) USER MOD Single : A 409 THR OG1 : rot 180:sc= -0.0384 USER MOD Single : A 412 GLN : amide:sc= -0.0338 K(o=-0.034,f=-1.8!) USER MOD Single : A 413 GLN :FLIP amide:sc= -0.474 F(o=-1.7,f=-0.47) USER MOD Single : A 414 GLN : amide:sc= -0.204 K(o=-0.2,f=-1.7!) USER MOD Single : A 415 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 416 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 419 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 421 ASN : amide:sc= -0.215 X(o=-0.21,f=0) USER MOD Single : A 427 LYS NZ :NH3+ -115:sc= 0.508 (180deg=-0.134) USER MOD Single : A 432 THR OG1 : rot 180:sc= 0 USER MOD Single : A 434 LYS NZ :NH3+ -170:sc= 0.00139 (180deg=0) USER MOD Single : A 435 GLN : amide:sc= -0.0091 X(o=-0.0091,f=0) USER MOD Single : A 443 CYS SG : rot 180:sc= 0 USER MOD Single : A 445 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 390 44.323 -28.870 -14.973 1.00 0.00 N ATOM 2 CA SER A 390 44.396 -27.415 -14.677 1.00 0.00 C ATOM 3 C SER A 390 43.137 -26.933 -13.962 1.00 0.00 C ATOM 4 O SER A 390 42.048 -27.462 -14.182 1.00 0.00 O ATOM 5 CB SER A 390 44.577 -26.659 -15.995 1.00 0.00 C ATOM 6 OG SER A 390 45.604 -27.240 -16.780 1.00 0.00 O ATOM 0 HA SER A 390 45.241 -27.226 -14.015 1.00 0.00 H new ATOM 0 HB2 SER A 390 43.641 -26.666 -16.553 1.00 0.00 H new ATOM 0 HB3 SER A 390 44.818 -25.616 -15.789 1.00 0.00 H new ATOM 0 HG SER A 390 45.725 -28.177 -16.519 1.00 0.00 H new ATOM 14 N PRO A 391 43.268 -25.916 -13.092 1.00 0.00 N ATOM 15 CA PRO A 391 42.133 -25.365 -12.346 1.00 0.00 C ATOM 16 C PRO A 391 41.205 -24.540 -13.231 1.00 0.00 C ATOM 17 O PRO A 391 41.634 -23.580 -13.871 1.00 0.00 O ATOM 18 CB PRO A 391 42.800 -24.478 -11.294 1.00 0.00 C ATOM 19 CG PRO A 391 44.090 -24.065 -11.915 1.00 0.00 C ATOM 20 CD PRO A 391 44.531 -25.223 -12.769 1.00 0.00 C ATOM 0 HA PRO A 391 41.501 -26.147 -11.925 1.00 0.00 H new ATOM 0 HB2 PRO A 391 42.181 -23.614 -11.054 1.00 0.00 H new ATOM 0 HB3 PRO A 391 42.964 -25.021 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 391 43.963 -23.164 -12.515 1.00 0.00 H new ATOM 0 HG3 PRO A 391 44.835 -23.837 -11.152 1.00 0.00 H new ATOM 0 HD2 PRO A 391 45.044 -24.885 -13.669 1.00 0.00 H new ATOM 0 HD3 PRO A 391 45.221 -25.876 -12.234 1.00 0.00 H new ATOM 28 N LEU A 392 39.932 -24.919 -13.262 1.00 0.00 N ATOM 29 CA LEU A 392 38.944 -24.213 -14.069 1.00 0.00 C ATOM 30 C LEU A 392 38.244 -23.131 -13.252 1.00 0.00 C ATOM 31 O LEU A 392 38.150 -23.227 -12.028 1.00 0.00 O ATOM 32 CB LEU A 392 37.913 -25.196 -14.627 1.00 0.00 C ATOM 33 CG LEU A 392 38.426 -26.110 -15.740 1.00 0.00 C ATOM 34 CD1 LEU A 392 39.089 -27.346 -15.153 1.00 0.00 C ATOM 35 CD2 LEU A 392 37.290 -26.504 -16.672 1.00 0.00 C ATOM 0 H LEU A 392 39.560 -25.711 -12.738 1.00 0.00 H new ATOM 0 HA LEU A 392 39.465 -23.735 -14.898 1.00 0.00 H new ATOM 0 HB2 LEU A 392 37.545 -25.816 -13.809 1.00 0.00 H new ATOM 0 HB3 LEU A 392 37.062 -24.630 -15.006 1.00 0.00 H new ATOM 0 HG LEU A 392 39.171 -25.563 -16.318 1.00 0.00 H new ATOM 0 HD11 LEU A 392 39.448 -27.985 -15.960 1.00 0.00 H new ATOM 0 HD12 LEU A 392 39.929 -27.046 -14.527 1.00 0.00 H new ATOM 0 HD13 LEU A 392 38.366 -27.895 -14.550 1.00 0.00 H new ATOM 0 HD21 LEU A 392 37.673 -27.155 -17.458 1.00 0.00 H new ATOM 0 HD22 LEU A 392 36.522 -27.032 -16.107 1.00 0.00 H new ATOM 0 HD23 LEU A 392 36.860 -25.608 -17.120 1.00 0.00 H new ATOM 47 N SER A 393 37.756 -22.103 -13.937 1.00 0.00 N ATOM 48 CA SER A 393 37.065 -21.001 -13.275 1.00 0.00 C ATOM 49 C SER A 393 35.563 -21.071 -13.524 1.00 0.00 C ATOM 50 O SER A 393 35.098 -21.825 -14.378 1.00 0.00 O ATOM 51 CB SER A 393 37.615 -19.661 -13.766 1.00 0.00 C ATOM 52 OG SER A 393 37.745 -18.740 -12.697 1.00 0.00 O ATOM 0 H SER A 393 37.826 -22.009 -14.950 1.00 0.00 H new ATOM 0 HA SER A 393 37.239 -21.087 -12.202 1.00 0.00 H new ATOM 0 HB2 SER A 393 38.585 -19.814 -14.238 1.00 0.00 H new ATOM 0 HB3 SER A 393 36.952 -19.249 -14.526 1.00 0.00 H new ATOM 0 HG SER A 393 38.100 -17.892 -13.037 1.00 0.00 H new ATOM 58 N ILE A 394 34.807 -20.279 -12.770 1.00 0.00 N ATOM 59 CA ILE A 394 33.356 -20.247 -12.907 1.00 0.00 C ATOM 60 C ILE A 394 32.938 -19.440 -14.132 1.00 0.00 C ATOM 61 O ILE A 394 33.699 -18.610 -14.630 1.00 0.00 O ATOM 62 CB ILE A 394 32.687 -19.650 -11.652 1.00 0.00 C ATOM 63 CG1 ILE A 394 31.164 -19.725 -11.768 1.00 0.00 C ATOM 64 CG2 ILE A 394 33.138 -18.210 -11.442 1.00 0.00 C ATOM 65 CD1 ILE A 394 30.450 -19.618 -10.438 1.00 0.00 C ATOM 0 H ILE A 394 35.176 -19.650 -12.057 1.00 0.00 H new ATOM 0 HA ILE A 394 33.024 -21.278 -13.028 1.00 0.00 H new ATOM 0 HB ILE A 394 32.994 -20.237 -10.786 1.00 0.00 H new ATOM 0 HG12 ILE A 394 30.818 -18.925 -12.422 1.00 0.00 H new ATOM 0 HG13 ILE A 394 30.890 -20.667 -12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 394 32.657 -17.804 -10.552 1.00 0.00 H new ATOM 0 HG22 ILE A 394 34.220 -18.183 -11.313 1.00 0.00 H new ATOM 0 HG23 ILE A 394 32.861 -17.612 -12.310 1.00 0.00 H new ATOM 0 HD11 ILE A 394 29.373 -19.679 -10.597 1.00 0.00 H new ATOM 0 HD12 ILE A 394 30.767 -20.433 -9.788 1.00 0.00 H new ATOM 0 HD13 ILE A 394 30.694 -18.665 -9.970 1.00 0.00 H new ATOM 77 N LYS A 395 31.724 -19.687 -14.614 1.00 0.00 N ATOM 78 CA LYS A 395 31.206 -18.982 -15.780 1.00 0.00 C ATOM 79 C LYS A 395 30.345 -17.795 -15.361 1.00 0.00 C ATOM 80 O LYS A 395 29.299 -17.531 -15.957 1.00 0.00 O ATOM 81 CB LYS A 395 30.395 -19.937 -16.660 1.00 0.00 C ATOM 82 CG LYS A 395 30.781 -19.887 -18.129 1.00 0.00 C ATOM 83 CD LYS A 395 30.239 -21.087 -18.889 1.00 0.00 C ATOM 84 CE LYS A 395 28.974 -20.737 -19.655 1.00 0.00 C ATOM 85 NZ LYS A 395 29.262 -19.903 -20.854 1.00 0.00 N ATOM 0 H LYS A 395 31.081 -20.370 -14.215 1.00 0.00 H new ATOM 0 HA LYS A 395 32.053 -18.605 -16.353 1.00 0.00 H new ATOM 0 HB2 LYS A 395 30.526 -20.955 -16.293 1.00 0.00 H new ATOM 0 HB3 LYS A 395 29.336 -19.697 -16.563 1.00 0.00 H new ATOM 0 HG2 LYS A 395 30.399 -18.969 -18.576 1.00 0.00 H new ATOM 0 HG3 LYS A 395 31.867 -19.857 -18.220 1.00 0.00 H new ATOM 0 HD2 LYS A 395 30.996 -21.452 -19.583 1.00 0.00 H new ATOM 0 HD3 LYS A 395 30.030 -21.897 -18.190 1.00 0.00 H new ATOM 0 HE2 LYS A 395 28.471 -21.654 -19.963 1.00 0.00 H new ATOM 0 HE3 LYS A 395 28.288 -20.203 -18.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 395 28.415 -19.856 -21.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 395 29.527 -18.943 -20.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 395 30.045 -20.326 -21.391 1.00 0.00 H new ATOM 99 N LYS A 396 30.790 -17.081 -14.332 1.00 0.00 N ATOM 100 CA LYS A 396 30.060 -15.921 -13.833 1.00 0.00 C ATOM 101 C LYS A 396 30.837 -14.635 -14.099 1.00 0.00 C ATOM 102 O LYS A 396 32.003 -14.514 -13.722 1.00 0.00 O ATOM 103 CB LYS A 396 29.789 -16.070 -12.333 1.00 0.00 C ATOM 104 CG LYS A 396 28.320 -15.936 -11.964 1.00 0.00 C ATOM 105 CD LYS A 396 27.921 -14.480 -11.786 1.00 0.00 C ATOM 106 CE LYS A 396 26.976 -14.299 -10.607 1.00 0.00 C ATOM 107 NZ LYS A 396 27.637 -13.607 -9.467 1.00 0.00 N ATOM 0 H LYS A 396 31.653 -17.285 -13.827 1.00 0.00 H new ATOM 0 HA LYS A 396 29.109 -15.864 -14.362 1.00 0.00 H new ATOM 0 HB2 LYS A 396 30.151 -17.043 -12.002 1.00 0.00 H new ATOM 0 HB3 LYS A 396 30.361 -15.316 -11.792 1.00 0.00 H new ATOM 0 HG2 LYS A 396 27.706 -16.390 -12.741 1.00 0.00 H new ATOM 0 HG3 LYS A 396 28.124 -16.483 -11.042 1.00 0.00 H new ATOM 0 HD2 LYS A 396 28.814 -13.873 -11.634 1.00 0.00 H new ATOM 0 HD3 LYS A 396 27.442 -14.119 -12.696 1.00 0.00 H new ATOM 0 HE2 LYS A 396 26.105 -13.725 -10.924 1.00 0.00 H new ATOM 0 HE3 LYS A 396 26.614 -15.273 -10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 396 26.960 -13.503 -8.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 396 28.453 -14.167 -9.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 396 27.960 -12.667 -9.772 1.00 0.00 H new ATOM 121 N CYS A 397 30.184 -13.678 -14.752 1.00 0.00 N ATOM 122 CA CYS A 397 30.815 -12.403 -15.069 1.00 0.00 C ATOM 123 C CYS A 397 30.609 -11.397 -13.943 1.00 0.00 C ATOM 124 O CYS A 397 29.518 -11.301 -13.379 1.00 0.00 O ATOM 125 CB CYS A 397 30.257 -11.845 -16.380 1.00 0.00 C ATOM 126 SG CYS A 397 31.516 -11.187 -17.499 1.00 0.00 S ATOM 0 H CYS A 397 29.219 -13.762 -15.071 1.00 0.00 H new ATOM 0 HA CYS A 397 31.885 -12.575 -15.183 1.00 0.00 H new ATOM 0 HB2 CYS A 397 29.707 -12.634 -16.893 1.00 0.00 H new ATOM 0 HB3 CYS A 397 29.542 -11.055 -16.151 1.00 0.00 H new ATOM 0 HG CYS A 397 32.677 -11.677 -17.182 1.00 0.00 H new ATOM 132 N PRO A 398 31.656 -10.629 -13.597 1.00 0.00 N ATOM 133 CA PRO A 398 31.574 -9.630 -12.531 1.00 0.00 C ATOM 134 C PRO A 398 30.660 -8.472 -12.903 1.00 0.00 C ATOM 135 O PRO A 398 30.744 -7.926 -14.003 1.00 0.00 O ATOM 136 CB PRO A 398 33.018 -9.146 -12.378 1.00 0.00 C ATOM 137 CG PRO A 398 33.656 -9.426 -13.693 1.00 0.00 C ATOM 138 CD PRO A 398 32.995 -10.671 -14.215 1.00 0.00 C ATOM 0 HA PRO A 398 31.155 -10.044 -11.614 1.00 0.00 H new ATOM 0 HB2 PRO A 398 33.055 -8.083 -12.139 1.00 0.00 H new ATOM 0 HB3 PRO A 398 33.528 -9.672 -11.571 1.00 0.00 H new ATOM 0 HG2 PRO A 398 33.516 -8.592 -14.381 1.00 0.00 H new ATOM 0 HG3 PRO A 398 34.731 -9.571 -13.583 1.00 0.00 H new ATOM 0 HD2 PRO A 398 32.936 -10.669 -15.303 1.00 0.00 H new ATOM 0 HD3 PRO A 398 33.543 -11.568 -13.927 1.00 0.00 H new ATOM 146 N ILE A 399 29.789 -8.104 -11.976 1.00 0.00 N ATOM 147 CA ILE A 399 28.852 -7.008 -12.195 1.00 0.00 C ATOM 148 C ILE A 399 29.233 -5.784 -11.367 1.00 0.00 C ATOM 149 O ILE A 399 28.992 -4.648 -11.774 1.00 0.00 O ATOM 150 CB ILE A 399 27.408 -7.426 -11.850 1.00 0.00 C ATOM 151 CG1 ILE A 399 26.427 -6.307 -12.210 1.00 0.00 C ATOM 152 CG2 ILE A 399 27.292 -7.785 -10.375 1.00 0.00 C ATOM 153 CD1 ILE A 399 24.975 -6.698 -12.044 1.00 0.00 C ATOM 0 H ILE A 399 29.710 -8.549 -11.061 1.00 0.00 H new ATOM 0 HA ILE A 399 28.903 -6.753 -13.254 1.00 0.00 H new ATOM 0 HB ILE A 399 27.155 -8.309 -12.438 1.00 0.00 H new ATOM 0 HG12 ILE A 399 26.634 -5.438 -11.585 1.00 0.00 H new ATOM 0 HG13 ILE A 399 26.597 -6.004 -13.243 1.00 0.00 H new ATOM 0 HG21 ILE A 399 26.266 -8.077 -10.151 1.00 0.00 H new ATOM 0 HG22 ILE A 399 27.963 -8.614 -10.148 1.00 0.00 H new ATOM 0 HG23 ILE A 399 27.564 -6.922 -9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 399 24.338 -5.857 -12.317 1.00 0.00 H new ATOM 0 HD12 ILE A 399 24.751 -7.547 -12.690 1.00 0.00 H new ATOM 0 HD13 ILE A 399 24.788 -6.972 -11.006 1.00 0.00 H new ATOM 165 N CYS A 400 29.829 -6.025 -10.204 1.00 0.00 N ATOM 166 CA CYS A 400 30.243 -4.942 -9.320 1.00 0.00 C ATOM 167 C CYS A 400 31.220 -5.445 -8.261 1.00 0.00 C ATOM 168 O CYS A 400 31.153 -5.043 -7.099 1.00 0.00 O ATOM 169 CB CYS A 400 29.023 -4.311 -8.647 1.00 0.00 C ATOM 170 SG CYS A 400 29.138 -2.517 -8.441 1.00 0.00 S ATOM 0 H CYS A 400 30.036 -6.960 -9.852 1.00 0.00 H new ATOM 0 HA CYS A 400 30.748 -4.187 -9.923 1.00 0.00 H new ATOM 0 HB2 CYS A 400 28.136 -4.542 -9.237 1.00 0.00 H new ATOM 0 HB3 CYS A 400 28.883 -4.770 -7.668 1.00 0.00 H new ATOM 0 HG CYS A 400 28.059 -2.076 -7.865 1.00 0.00 H new ATOM 176 N LYS A 401 32.126 -6.326 -8.670 1.00 0.00 N ATOM 177 CA LYS A 401 33.117 -6.883 -7.757 1.00 0.00 C ATOM 178 C LYS A 401 34.224 -5.873 -7.470 1.00 0.00 C ATOM 179 O LYS A 401 34.832 -5.891 -6.400 1.00 0.00 O ATOM 180 CB LYS A 401 33.717 -8.163 -8.342 1.00 0.00 C ATOM 181 CG LYS A 401 34.066 -9.207 -7.293 1.00 0.00 C ATOM 182 CD LYS A 401 33.137 -10.408 -7.368 1.00 0.00 C ATOM 183 CE LYS A 401 31.756 -10.080 -6.825 1.00 0.00 C ATOM 184 NZ LYS A 401 30.942 -11.306 -6.597 1.00 0.00 N ATOM 0 H LYS A 401 32.195 -6.670 -9.628 1.00 0.00 H new ATOM 0 HA LYS A 401 32.616 -7.120 -6.819 1.00 0.00 H new ATOM 0 HB2 LYS A 401 33.010 -8.595 -9.051 1.00 0.00 H new ATOM 0 HB3 LYS A 401 34.616 -7.909 -8.903 1.00 0.00 H new ATOM 0 HG2 LYS A 401 35.096 -9.534 -7.433 1.00 0.00 H new ATOM 0 HG3 LYS A 401 34.005 -8.761 -6.300 1.00 0.00 H new ATOM 0 HD2 LYS A 401 33.053 -10.740 -8.403 1.00 0.00 H new ATOM 0 HD3 LYS A 401 33.564 -11.236 -6.802 1.00 0.00 H new ATOM 0 HE2 LYS A 401 31.855 -9.531 -5.889 1.00 0.00 H new ATOM 0 HE3 LYS A 401 31.237 -9.425 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 30.008 -11.038 -6.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 30.825 -11.817 -7.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 31.424 -11.920 -5.910 1.00 0.00 H new ATOM 198 N ALA A 402 34.483 -4.994 -8.434 1.00 0.00 N ATOM 199 CA ALA A 402 35.518 -3.979 -8.284 1.00 0.00 C ATOM 200 C ALA A 402 35.055 -2.852 -7.365 1.00 0.00 C ATOM 201 O ALA A 402 35.863 -2.231 -6.674 1.00 0.00 O ATOM 202 CB ALA A 402 35.912 -3.423 -9.644 1.00 0.00 C ATOM 0 H ALA A 402 33.990 -4.965 -9.326 1.00 0.00 H new ATOM 0 HA ALA A 402 36.389 -4.450 -7.828 1.00 0.00 H new ATOM 0 HB1 ALA A 402 36.686 -2.666 -9.517 1.00 0.00 H new ATOM 0 HB2 ALA A 402 36.293 -4.230 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 402 35.040 -2.974 -10.120 1.00 0.00 H new ATOM 208 N ASP A 403 33.752 -2.593 -7.363 1.00 0.00 N ATOM 209 CA ASP A 403 33.183 -1.540 -6.529 1.00 0.00 C ATOM 210 C ASP A 403 32.541 -2.119 -5.271 1.00 0.00 C ATOM 211 O ASP A 403 32.389 -1.425 -4.266 1.00 0.00 O ATOM 212 CB ASP A 403 32.147 -0.739 -7.320 1.00 0.00 C ATOM 213 CG ASP A 403 32.755 0.462 -8.018 1.00 0.00 C ATOM 214 OD1 ASP A 403 33.056 1.459 -7.329 1.00 0.00 O ATOM 215 OD2 ASP A 403 32.930 0.405 -9.253 1.00 0.00 O ATOM 0 H ASP A 403 33.070 -3.097 -7.929 1.00 0.00 H new ATOM 0 HA ASP A 403 33.994 -0.878 -6.226 1.00 0.00 H new ATOM 0 HB2 ASP A 403 31.678 -1.387 -8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 403 31.359 -0.404 -6.646 1.00 0.00 H new ATOM 220 N ASP A 404 32.165 -3.394 -5.332 1.00 0.00 N ATOM 221 CA ASP A 404 31.539 -4.059 -4.195 1.00 0.00 C ATOM 222 C ASP A 404 32.149 -5.438 -3.968 1.00 0.00 C ATOM 223 O ASP A 404 32.952 -5.912 -4.772 1.00 0.00 O ATOM 224 CB ASP A 404 30.031 -4.185 -4.417 1.00 0.00 C ATOM 225 CG ASP A 404 29.261 -3.020 -3.828 1.00 0.00 C ATOM 226 OD1 ASP A 404 29.876 -1.958 -3.594 1.00 0.00 O ATOM 227 OD2 ASP A 404 28.042 -3.169 -3.599 1.00 0.00 O ATOM 0 H ASP A 404 32.283 -3.985 -6.155 1.00 0.00 H new ATOM 0 HA ASP A 404 31.718 -3.452 -3.308 1.00 0.00 H new ATOM 0 HB2 ASP A 404 29.828 -4.248 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 404 29.677 -5.114 -3.970 1.00 0.00 H new ATOM 232 N ILE A 405 31.763 -6.077 -2.868 1.00 0.00 N ATOM 233 CA ILE A 405 32.272 -7.402 -2.536 1.00 0.00 C ATOM 234 C ILE A 405 31.573 -7.965 -1.301 1.00 0.00 C ATOM 235 O ILE A 405 31.242 -9.149 -1.249 1.00 0.00 O ATOM 236 CB ILE A 405 33.795 -7.373 -2.292 1.00 0.00 C ATOM 237 CG1 ILE A 405 34.329 -8.791 -2.075 1.00 0.00 C ATOM 238 CG2 ILE A 405 34.128 -6.486 -1.100 1.00 0.00 C ATOM 239 CD1 ILE A 405 34.962 -9.393 -3.312 1.00 0.00 C ATOM 0 H ILE A 405 31.100 -5.698 -2.192 1.00 0.00 H new ATOM 0 HA ILE A 405 32.064 -8.047 -3.389 1.00 0.00 H new ATOM 0 HB ILE A 405 34.279 -6.955 -3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 405 35.065 -8.775 -1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 405 33.511 -9.432 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 405 35.207 -6.478 -0.943 1.00 0.00 H new ATOM 0 HG22 ILE A 405 33.782 -5.471 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 405 33.635 -6.874 -0.209 1.00 0.00 H new ATOM 0 HD11 ILE A 405 35.318 -10.398 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 405 34.223 -9.441 -4.112 1.00 0.00 H new ATOM 0 HD13 ILE A 405 35.801 -8.774 -3.630 1.00 0.00 H new ATOM 251 N CYS A 406 31.354 -7.107 -0.309 1.00 0.00 N ATOM 252 CA CYS A 406 30.696 -7.518 0.926 1.00 0.00 C ATOM 253 C CYS A 406 29.179 -7.451 0.782 1.00 0.00 C ATOM 254 O CYS A 406 28.491 -8.468 0.873 1.00 0.00 O ATOM 255 CB CYS A 406 31.150 -6.635 2.089 1.00 0.00 C ATOM 256 SG CYS A 406 31.431 -7.536 3.632 1.00 0.00 S ATOM 0 H CYS A 406 31.623 -6.123 -0.337 1.00 0.00 H new ATOM 0 HA CYS A 406 30.978 -8.550 1.133 1.00 0.00 H new ATOM 0 HB2 CYS A 406 32.070 -6.124 1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 406 30.398 -5.865 2.262 1.00 0.00 H new ATOM 0 HG CYS A 406 31.814 -6.706 4.556 1.00 0.00 H new ATOM 262 N ASP A 407 28.664 -6.247 0.557 1.00 0.00 N ATOM 263 CA ASP A 407 27.227 -6.046 0.401 1.00 0.00 C ATOM 264 C ASP A 407 26.906 -5.466 -0.973 1.00 0.00 C ATOM 265 O ASP A 407 26.998 -4.257 -1.184 1.00 0.00 O ATOM 266 CB ASP A 407 26.698 -5.121 1.499 1.00 0.00 C ATOM 267 CG ASP A 407 25.579 -5.757 2.300 1.00 0.00 C ATOM 268 OD1 ASP A 407 24.649 -6.315 1.682 1.00 0.00 O ATOM 269 OD2 ASP A 407 25.634 -5.697 3.547 1.00 0.00 O ATOM 0 H ASP A 407 29.220 -5.395 0.478 1.00 0.00 H new ATOM 0 HA ASP A 407 26.737 -7.015 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 407 27.515 -4.853 2.170 1.00 0.00 H new ATOM 0 HB3 ASP A 407 26.339 -4.196 1.049 1.00 0.00 H new ATOM 274 N HIS A 408 26.529 -6.336 -1.906 1.00 0.00 N ATOM 275 CA HIS A 408 26.196 -5.910 -3.259 1.00 0.00 C ATOM 276 C HIS A 408 24.726 -5.510 -3.357 1.00 0.00 C ATOM 277 O HIS A 408 24.362 -4.640 -4.149 1.00 0.00 O ATOM 278 CB HIS A 408 26.498 -7.029 -4.257 1.00 0.00 C ATOM 279 CG HIS A 408 26.262 -6.639 -5.683 1.00 0.00 C ATOM 280 ND1 HIS A 408 25.520 -7.401 -6.560 1.00 0.00 N ATOM 281 CD2 HIS A 408 26.675 -5.557 -6.386 1.00 0.00 C ATOM 282 CE1 HIS A 408 25.487 -6.807 -7.739 1.00 0.00 C ATOM 283 NE2 HIS A 408 26.179 -5.686 -7.660 1.00 0.00 N ATOM 0 H HIS A 408 26.447 -7.340 -1.748 1.00 0.00 H new ATOM 0 HA HIS A 408 26.808 -5.041 -3.501 1.00 0.00 H new ATOM 0 HB2 HIS A 408 27.537 -7.338 -4.141 1.00 0.00 H new ATOM 0 HB3 HIS A 408 25.879 -7.894 -4.018 1.00 0.00 H new ATOM 0 HD1 HIS A 408 25.067 -8.286 -6.333 1.00 0.00 H new ATOM 0 HD2 HIS A 408 27.281 -4.744 -6.014 1.00 0.00 H new ATOM 0 HE1 HIS A 408 24.980 -7.176 -8.618 1.00 0.00 H new ATOM 292 N THR A 409 23.887 -6.150 -2.550 1.00 0.00 N ATOM 293 CA THR A 409 22.459 -5.861 -2.546 1.00 0.00 C ATOM 294 C THR A 409 21.842 -6.154 -3.911 1.00 0.00 C ATOM 295 O THR A 409 21.887 -5.320 -4.815 1.00 0.00 O ATOM 296 CB THR A 409 22.213 -4.400 -2.167 1.00 0.00 C ATOM 297 OG1 THR A 409 23.233 -3.928 -1.305 1.00 0.00 O ATOM 298 CG2 THR A 409 20.887 -4.174 -1.475 1.00 0.00 C ATOM 0 H THR A 409 24.172 -6.873 -1.890 1.00 0.00 H new ATOM 0 HA THR A 409 21.986 -6.506 -1.805 1.00 0.00 H new ATOM 0 HB THR A 409 22.208 -3.855 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 409 23.059 -2.991 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 409 20.778 -3.117 -1.234 1.00 0.00 H new ATOM 0 HG22 THR A 409 20.075 -4.482 -2.134 1.00 0.00 H new ATOM 0 HG23 THR A 409 20.851 -4.760 -0.557 1.00 0.00 H new ATOM 306 N LEU A 410 21.268 -7.344 -4.052 1.00 0.00 N ATOM 307 CA LEU A 410 20.642 -7.747 -5.305 1.00 0.00 C ATOM 308 C LEU A 410 19.457 -6.846 -5.637 1.00 0.00 C ATOM 309 O LEU A 410 19.178 -6.576 -6.806 1.00 0.00 O ATOM 310 CB LEU A 410 20.183 -9.204 -5.227 1.00 0.00 C ATOM 311 CG LEU A 410 21.267 -10.203 -4.811 1.00 0.00 C ATOM 312 CD1 LEU A 410 21.176 -10.500 -3.322 1.00 0.00 C ATOM 313 CD2 LEU A 410 21.149 -11.486 -5.621 1.00 0.00 C ATOM 0 H LEU A 410 21.224 -8.046 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 410 21.383 -7.649 -6.098 1.00 0.00 H new ATOM 0 HB2 LEU A 410 19.357 -9.272 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 410 19.793 -9.499 -6.201 1.00 0.00 H new ATOM 0 HG LEU A 410 22.241 -9.758 -5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 410 21.954 -11.212 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 410 21.311 -9.577 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU A 410 20.198 -10.925 -3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 410 21.927 -12.184 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 410 20.170 -11.935 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 410 21.265 -11.259 -6.681 1.00 0.00 H new ATOM 325 N GLU A 411 18.764 -6.383 -4.602 1.00 0.00 N ATOM 326 CA GLU A 411 17.609 -5.511 -4.784 1.00 0.00 C ATOM 327 C GLU A 411 17.996 -4.244 -5.539 1.00 0.00 C ATOM 328 O GLU A 411 17.204 -3.701 -6.310 1.00 0.00 O ATOM 329 CB GLU A 411 17.001 -5.146 -3.428 1.00 0.00 C ATOM 330 CG GLU A 411 15.871 -6.067 -3.000 1.00 0.00 C ATOM 331 CD GLU A 411 15.103 -5.532 -1.806 1.00 0.00 C ATOM 332 OE1 GLU A 411 14.458 -4.471 -1.942 1.00 0.00 O ATOM 333 OE2 GLU A 411 15.148 -6.174 -0.736 1.00 0.00 O ATOM 0 H GLU A 411 18.982 -6.597 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 411 16.868 -6.050 -5.374 1.00 0.00 H new ATOM 0 HB2 GLU A 411 17.784 -5.169 -2.670 1.00 0.00 H new ATOM 0 HB3 GLU A 411 16.628 -4.123 -3.470 1.00 0.00 H new ATOM 0 HG2 GLU A 411 15.185 -6.207 -3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 411 16.279 -7.048 -2.755 1.00 0.00 H new ATOM 340 N GLN A 412 19.220 -3.778 -5.314 1.00 0.00 N ATOM 341 CA GLN A 412 19.713 -2.575 -5.975 1.00 0.00 C ATOM 342 C GLN A 412 19.847 -2.795 -7.477 1.00 0.00 C ATOM 343 O GLN A 412 19.616 -1.884 -8.272 1.00 0.00 O ATOM 344 CB GLN A 412 21.063 -2.161 -5.386 1.00 0.00 C ATOM 345 CG GLN A 412 20.944 -1.294 -4.143 1.00 0.00 C ATOM 346 CD GLN A 412 20.692 0.164 -4.472 1.00 0.00 C ATOM 347 OE1 GLN A 412 19.655 0.515 -5.033 1.00 0.00 O ATOM 348 NE2 GLN A 412 21.643 1.023 -4.123 1.00 0.00 N ATOM 0 H GLN A 412 19.888 -4.215 -4.679 1.00 0.00 H new ATOM 0 HA GLN A 412 18.990 -1.777 -5.807 1.00 0.00 H new ATOM 0 HB2 GLN A 412 21.633 -3.057 -5.141 1.00 0.00 H new ATOM 0 HB3 GLN A 412 21.630 -1.620 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 412 20.131 -1.668 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 412 21.859 -1.378 -3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 412 22.488 0.688 -3.659 1.00 0.00 H new ATOM 0 HE22 GLN A 412 21.529 2.018 -4.319 1.00 0.00 H new ATOM 357 N GLN A 413 20.222 -4.011 -7.859 1.00 0.00 N ATOM 358 CA GLN A 413 20.385 -4.354 -9.267 1.00 0.00 C ATOM 359 C GLN A 413 19.037 -4.647 -9.918 1.00 0.00 C ATOM 360 O GLN A 413 18.772 -4.217 -11.040 1.00 0.00 O ATOM 361 CB GLN A 413 21.309 -5.565 -9.415 1.00 0.00 C ATOM 362 CG GLN A 413 21.605 -5.932 -10.859 1.00 0.00 C ATOM 363 CD GLN A 413 21.741 -7.428 -11.064 1.00 0.00 C ATOM 364 OE1 GLN A 413 22.761 -8.019 -10.451 1.00 0.00 O flip ATOM 365 NE2 GLN A 413 20.940 -8.046 -11.764 1.00 0.00 N flip ATOM 0 H GLN A 413 20.419 -4.776 -7.213 1.00 0.00 H new ATOM 0 HA GLN A 413 20.833 -3.498 -9.772 1.00 0.00 H new ATOM 0 HB2 GLN A 413 22.248 -5.360 -8.901 1.00 0.00 H new ATOM 0 HB3 GLN A 413 20.854 -6.421 -8.917 1.00 0.00 H new ATOM 0 HG2 GLN A 413 20.807 -5.553 -11.497 1.00 0.00 H new ATOM 0 HG3 GLN A 413 22.526 -5.441 -11.174 1.00 0.00 H new ATOM 0 HE21 GLN A 413 20.171 -7.552 -12.216 1.00 0.00 H new ATOM 0 HE22 GLN A 413 21.045 -9.052 -11.892 1.00 0.00 H new ATOM 374 N GLN A 414 18.190 -5.382 -9.205 1.00 0.00 N ATOM 375 CA GLN A 414 16.869 -5.734 -9.713 1.00 0.00 C ATOM 376 C GLN A 414 16.047 -4.482 -10.005 1.00 0.00 C ATOM 377 O GLN A 414 16.439 -3.373 -9.643 1.00 0.00 O ATOM 378 CB GLN A 414 16.131 -6.619 -8.707 1.00 0.00 C ATOM 379 CG GLN A 414 16.906 -7.864 -8.308 1.00 0.00 C ATOM 380 CD GLN A 414 16.041 -9.109 -8.289 1.00 0.00 C ATOM 381 OE1 GLN A 414 14.813 -9.026 -8.294 1.00 0.00 O ATOM 382 NE2 GLN A 414 16.680 -10.273 -8.268 1.00 0.00 N ATOM 0 H GLN A 414 18.395 -5.745 -8.274 1.00 0.00 H new ATOM 0 HA GLN A 414 17.001 -6.286 -10.644 1.00 0.00 H new ATOM 0 HB2 GLN A 414 15.913 -6.035 -7.813 1.00 0.00 H new ATOM 0 HB3 GLN A 414 15.173 -6.918 -9.133 1.00 0.00 H new ATOM 0 HG2 GLN A 414 17.733 -8.011 -9.003 1.00 0.00 H new ATOM 0 HG3 GLN A 414 17.343 -7.715 -7.321 1.00 0.00 H new ATOM 0 HE21 GLN A 414 17.700 -10.295 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 414 16.151 -11.145 -8.255 1.00 0.00 H new ATOM 391 N MET A 415 14.907 -4.669 -10.662 1.00 0.00 N ATOM 392 CA MET A 415 14.030 -3.555 -11.003 1.00 0.00 C ATOM 393 C MET A 415 12.667 -3.712 -10.335 1.00 0.00 C ATOM 394 O MET A 415 11.811 -4.454 -10.817 1.00 0.00 O ATOM 395 CB MET A 415 13.859 -3.460 -12.520 1.00 0.00 C ATOM 396 CG MET A 415 13.358 -2.105 -12.992 1.00 0.00 C ATOM 397 SD MET A 415 14.651 -0.850 -13.000 1.00 0.00 S ATOM 398 CE MET A 415 15.179 -0.917 -14.709 1.00 0.00 C ATOM 0 H MET A 415 14.569 -5.581 -10.969 1.00 0.00 H new ATOM 0 HA MET A 415 14.490 -2.637 -10.638 1.00 0.00 H new ATOM 0 HB2 MET A 415 14.815 -3.672 -12.999 1.00 0.00 H new ATOM 0 HB3 MET A 415 13.161 -4.230 -12.848 1.00 0.00 H new ATOM 0 HG2 MET A 415 12.947 -2.204 -13.997 1.00 0.00 H new ATOM 0 HG3 MET A 415 12.544 -1.778 -12.345 1.00 0.00 H new ATOM 0 HE1 MET A 415 15.979 -0.194 -14.871 1.00 0.00 H new ATOM 0 HE2 MET A 415 15.543 -1.919 -14.938 1.00 0.00 H new ATOM 0 HE3 MET A 415 14.337 -0.679 -15.359 1.00 0.00 H new ATOM 408 N GLN A 416 12.474 -3.008 -9.225 1.00 0.00 N ATOM 409 CA GLN A 416 11.215 -3.068 -8.490 1.00 0.00 C ATOM 410 C GLN A 416 10.992 -1.790 -7.685 1.00 0.00 C ATOM 411 O GLN A 416 11.923 -1.015 -7.464 1.00 0.00 O ATOM 412 CB GLN A 416 11.201 -4.285 -7.561 1.00 0.00 C ATOM 413 CG GLN A 416 10.003 -5.196 -7.771 1.00 0.00 C ATOM 414 CD GLN A 416 10.358 -6.462 -8.528 1.00 0.00 C ATOM 415 OE1 GLN A 416 10.871 -7.420 -7.951 1.00 0.00 O ATOM 416 NE2 GLN A 416 10.088 -6.469 -9.828 1.00 0.00 N ATOM 0 H GLN A 416 13.173 -2.389 -8.814 1.00 0.00 H new ATOM 0 HA GLN A 416 10.404 -3.163 -9.212 1.00 0.00 H new ATOM 0 HB2 GLN A 416 12.115 -4.859 -7.714 1.00 0.00 H new ATOM 0 HB3 GLN A 416 11.209 -3.942 -6.526 1.00 0.00 H new ATOM 0 HG2 GLN A 416 9.580 -5.463 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 416 9.231 -4.655 -8.318 1.00 0.00 H new ATOM 0 HE21 GLN A 416 9.662 -5.652 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 416 10.307 -7.292 -10.390 1.00 0.00 H new ATOM 425 N PRO A 417 9.748 -1.550 -7.237 1.00 0.00 N ATOM 426 CA PRO A 417 9.404 -0.358 -6.454 1.00 0.00 C ATOM 427 C PRO A 417 10.178 -0.282 -5.143 1.00 0.00 C ATOM 428 O PRO A 417 10.469 -1.305 -4.522 1.00 0.00 O ATOM 429 CB PRO A 417 7.903 -0.520 -6.178 1.00 0.00 C ATOM 430 CG PRO A 417 7.423 -1.498 -7.195 1.00 0.00 C ATOM 431 CD PRO A 417 8.579 -2.418 -7.458 1.00 0.00 C ATOM 0 HA PRO A 417 9.653 0.559 -6.988 1.00 0.00 H new ATOM 0 HB2 PRO A 417 7.726 -0.885 -5.166 1.00 0.00 H new ATOM 0 HB3 PRO A 417 7.381 0.432 -6.270 1.00 0.00 H new ATOM 0 HG2 PRO A 417 6.559 -2.052 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO A 417 7.112 -0.991 -8.108 1.00 0.00 H new ATOM 0 HD2 PRO A 417 8.577 -3.273 -6.782 1.00 0.00 H new ATOM 0 HD3 PRO A 417 8.557 -2.815 -8.473 1.00 0.00 H new ATOM 439 N LEU A 418 10.508 0.936 -4.726 1.00 0.00 N ATOM 440 CA LEU A 418 11.247 1.147 -3.487 1.00 0.00 C ATOM 441 C LEU A 418 10.332 1.677 -2.385 1.00 0.00 C ATOM 442 O LEU A 418 10.647 1.570 -1.200 1.00 0.00 O ATOM 443 CB LEU A 418 12.418 2.113 -3.711 1.00 0.00 C ATOM 444 CG LEU A 418 12.203 3.195 -4.778 1.00 0.00 C ATOM 445 CD1 LEU A 418 12.207 2.594 -6.177 1.00 0.00 C ATOM 446 CD2 LEU A 418 10.914 3.965 -4.518 1.00 0.00 C ATOM 0 H LEU A 418 10.275 1.792 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 418 11.644 0.183 -3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 418 12.644 2.604 -2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 418 13.297 1.530 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 418 13.034 3.898 -4.715 1.00 0.00 H new ATOM 0 HD11 LEU A 418 12.053 3.383 -6.913 1.00 0.00 H new ATOM 0 HD12 LEU A 418 13.165 2.108 -6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 418 11.406 1.859 -6.260 1.00 0.00 H new ATOM 0 HD21 LEU A 418 10.783 4.726 -5.287 1.00 0.00 H new ATOM 0 HD22 LEU A 418 10.069 3.277 -4.541 1.00 0.00 H new ATOM 0 HD23 LEU A 418 10.967 4.443 -3.540 1.00 0.00 H new ATOM 458 N CYS A 419 9.196 2.246 -2.782 1.00 0.00 N ATOM 459 CA CYS A 419 8.236 2.787 -1.827 1.00 0.00 C ATOM 460 C CYS A 419 6.837 2.825 -2.433 1.00 0.00 C ATOM 461 O CYS A 419 6.673 2.709 -3.647 1.00 0.00 O ATOM 462 CB CYS A 419 8.655 4.191 -1.386 1.00 0.00 C ATOM 463 SG CYS A 419 8.611 5.428 -2.704 1.00 0.00 S ATOM 0 H CYS A 419 8.919 2.344 -3.759 1.00 0.00 H new ATOM 0 HA CYS A 419 8.219 2.134 -0.954 1.00 0.00 H new ATOM 0 HB2 CYS A 419 8.001 4.516 -0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 419 9.666 4.145 -0.980 1.00 0.00 H new ATOM 0 HG CYS A 419 8.980 6.581 -2.230 1.00 0.00 H new ATOM 469 N PHE A 420 5.829 2.983 -1.581 1.00 0.00 N ATOM 470 CA PHE A 420 4.446 3.032 -2.040 1.00 0.00 C ATOM 471 C PHE A 420 3.664 4.120 -1.313 1.00 0.00 C ATOM 472 O PHE A 420 3.983 4.476 -0.179 1.00 0.00 O ATOM 473 CB PHE A 420 3.771 1.677 -1.827 1.00 0.00 C ATOM 474 CG PHE A 420 4.474 0.542 -2.515 1.00 0.00 C ATOM 475 CD1 PHE A 420 4.449 0.430 -3.895 1.00 0.00 C ATOM 476 CD2 PHE A 420 5.159 -0.414 -1.780 1.00 0.00 C ATOM 477 CE1 PHE A 420 5.095 -0.613 -4.532 1.00 0.00 C ATOM 478 CE2 PHE A 420 5.807 -1.459 -2.411 1.00 0.00 C ATOM 479 CZ PHE A 420 5.774 -1.559 -3.788 1.00 0.00 C ATOM 0 H PHE A 420 5.944 3.079 -0.572 1.00 0.00 H new ATOM 0 HA PHE A 420 4.453 3.268 -3.104 1.00 0.00 H new ATOM 0 HB2 PHE A 420 3.722 1.469 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 420 2.744 1.731 -2.189 1.00 0.00 H new ATOM 0 HD1 PHE A 420 3.919 1.166 -4.481 1.00 0.00 H new ATOM 0 HD2 PHE A 420 5.186 -0.341 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 420 5.069 -0.688 -5.609 1.00 0.00 H new ATOM 0 HE2 PHE A 420 6.339 -2.197 -1.828 1.00 0.00 H new ATOM 0 HZ PHE A 420 6.278 -2.376 -4.283 1.00 0.00 H new ATOM 489 N ASN A 421 2.636 4.642 -1.975 1.00 0.00 N ATOM 490 CA ASN A 421 1.801 5.688 -1.395 1.00 0.00 C ATOM 491 C ASN A 421 0.331 5.462 -1.735 1.00 0.00 C ATOM 492 O ASN A 421 -0.059 5.500 -2.903 1.00 0.00 O ATOM 493 CB ASN A 421 2.248 7.063 -1.898 1.00 0.00 C ATOM 494 CG ASN A 421 1.461 8.194 -1.265 1.00 0.00 C ATOM 495 OD1 ASN A 421 0.954 9.075 -1.959 1.00 0.00 O ATOM 496 ND2 ASN A 421 1.356 8.175 0.058 1.00 0.00 N ATOM 0 H ASN A 421 2.361 4.357 -2.915 1.00 0.00 H new ATOM 0 HA ASN A 421 1.914 5.650 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 421 3.308 7.198 -1.684 1.00 0.00 H new ATOM 0 HB3 ASN A 421 2.133 7.106 -2.981 1.00 0.00 H new ATOM 0 HD21 ASN A 421 0.839 8.911 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 421 1.793 7.425 0.594 1.00 0.00 H new ATOM 503 N CYS A 422 -0.483 5.227 -0.710 1.00 0.00 N ATOM 504 CA CYS A 422 -1.909 4.996 -0.907 1.00 0.00 C ATOM 505 C CYS A 422 -2.662 6.318 -1.055 1.00 0.00 C ATOM 506 O CYS A 422 -2.756 7.091 -0.103 1.00 0.00 O ATOM 507 CB CYS A 422 -2.491 4.201 0.266 1.00 0.00 C ATOM 508 SG CYS A 422 -4.231 3.750 0.059 1.00 0.00 S ATOM 0 H CYS A 422 -0.180 5.192 0.263 1.00 0.00 H new ATOM 0 HA CYS A 422 -2.029 4.420 -1.825 1.00 0.00 H new ATOM 0 HB2 CYS A 422 -1.905 3.292 0.402 1.00 0.00 H new ATOM 0 HB3 CYS A 422 -2.385 4.789 1.178 1.00 0.00 H new ATOM 513 N PRO A 423 -3.213 6.595 -2.250 1.00 0.00 N ATOM 514 CA PRO A 423 -3.961 7.829 -2.501 1.00 0.00 C ATOM 515 C PRO A 423 -5.370 7.786 -1.917 1.00 0.00 C ATOM 516 O PRO A 423 -6.126 8.752 -2.021 1.00 0.00 O ATOM 517 CB PRO A 423 -4.015 7.895 -4.026 1.00 0.00 C ATOM 518 CG PRO A 423 -3.996 6.470 -4.460 1.00 0.00 C ATOM 519 CD PRO A 423 -3.158 5.732 -3.447 1.00 0.00 C ATOM 0 HA PRO A 423 -3.492 8.696 -2.036 1.00 0.00 H new ATOM 0 HB2 PRO A 423 -4.916 8.403 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 423 -3.165 8.445 -4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 423 -5.006 6.062 -4.501 1.00 0.00 H new ATOM 0 HG3 PRO A 423 -3.573 6.373 -5.460 1.00 0.00 H new ATOM 0 HD2 PRO A 423 -3.559 4.739 -3.243 1.00 0.00 H new ATOM 0 HD3 PRO A 423 -2.134 5.597 -3.796 1.00 0.00 H new ATOM 527 N ILE A 424 -5.717 6.659 -1.305 1.00 0.00 N ATOM 528 CA ILE A 424 -7.031 6.487 -0.706 1.00 0.00 C ATOM 529 C ILE A 424 -6.987 6.750 0.798 1.00 0.00 C ATOM 530 O ILE A 424 -7.973 7.188 1.390 1.00 0.00 O ATOM 531 CB ILE A 424 -7.568 5.063 -0.961 1.00 0.00 C ATOM 532 CG1 ILE A 424 -7.823 4.851 -2.454 1.00 0.00 C ATOM 533 CG2 ILE A 424 -8.837 4.814 -0.160 1.00 0.00 C ATOM 534 CD1 ILE A 424 -7.431 3.475 -2.945 1.00 0.00 C ATOM 0 H ILE A 424 -5.103 5.850 -1.212 1.00 0.00 H new ATOM 0 HA ILE A 424 -7.700 7.211 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 424 -6.815 4.347 -0.633 1.00 0.00 H new ATOM 0 HG12 ILE A 424 -8.881 5.014 -2.660 1.00 0.00 H new ATOM 0 HG13 ILE A 424 -7.269 5.601 -3.019 1.00 0.00 H new ATOM 0 HG21 ILE A 424 -9.198 3.804 -0.355 1.00 0.00 H new ATOM 0 HG22 ILE A 424 -8.624 4.924 0.903 1.00 0.00 H new ATOM 0 HG23 ILE A 424 -9.600 5.535 -0.453 1.00 0.00 H new ATOM 0 HD11 ILE A 424 -7.640 3.396 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 424 -6.367 3.316 -2.771 1.00 0.00 H new ATOM 0 HD13 ILE A 424 -8.004 2.720 -2.407 1.00 0.00 H new ATOM 546 N CYS A 425 -5.841 6.470 1.410 1.00 0.00 N ATOM 547 CA CYS A 425 -5.674 6.666 2.845 1.00 0.00 C ATOM 548 C CYS A 425 -4.496 7.590 3.159 1.00 0.00 C ATOM 549 O CYS A 425 -4.318 8.011 4.302 1.00 0.00 O ATOM 550 CB CYS A 425 -5.478 5.317 3.533 1.00 0.00 C ATOM 551 SG CYS A 425 -6.767 4.114 3.142 1.00 0.00 S ATOM 0 H CYS A 425 -5.015 6.107 0.935 1.00 0.00 H new ATOM 0 HA CYS A 425 -6.578 7.143 3.224 1.00 0.00 H new ATOM 0 HB2 CYS A 425 -4.510 4.908 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 425 -5.450 5.469 4.612 1.00 0.00 H new ATOM 556 N ASP A 426 -3.694 7.903 2.144 1.00 0.00 N ATOM 557 CA ASP A 426 -2.539 8.777 2.324 1.00 0.00 C ATOM 558 C ASP A 426 -1.493 8.118 3.218 1.00 0.00 C ATOM 559 O ASP A 426 -0.879 8.773 4.061 1.00 0.00 O ATOM 560 CB ASP A 426 -2.970 10.118 2.924 1.00 0.00 C ATOM 561 CG ASP A 426 -1.957 11.217 2.668 1.00 0.00 C ATOM 562 OD1 ASP A 426 -0.947 11.275 3.400 1.00 0.00 O ATOM 563 OD2 ASP A 426 -2.176 12.020 1.737 1.00 0.00 O ATOM 0 H ASP A 426 -3.823 7.565 1.190 1.00 0.00 H new ATOM 0 HA ASP A 426 -2.095 8.955 1.344 1.00 0.00 H new ATOM 0 HB2 ASP A 426 -3.932 10.409 2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 426 -3.114 10.003 3.998 1.00 0.00 H new ATOM 568 N LYS A 427 -1.294 6.818 3.027 1.00 0.00 N ATOM 569 CA LYS A 427 -0.321 6.069 3.814 1.00 0.00 C ATOM 570 C LYS A 427 0.815 5.561 2.933 1.00 0.00 C ATOM 571 O LYS A 427 0.595 5.148 1.795 1.00 0.00 O ATOM 572 CB LYS A 427 -1.001 4.893 4.517 1.00 0.00 C ATOM 573 CG LYS A 427 -1.786 5.293 5.756 1.00 0.00 C ATOM 574 CD LYS A 427 -2.624 4.139 6.281 1.00 0.00 C ATOM 575 CE LYS A 427 -1.908 3.394 7.395 1.00 0.00 C ATOM 576 NZ LYS A 427 -1.051 2.296 6.868 1.00 0.00 N ATOM 0 H LYS A 427 -1.794 6.261 2.334 1.00 0.00 H new ATOM 0 HA LYS A 427 0.097 6.740 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 427 -1.674 4.401 3.815 1.00 0.00 H new ATOM 0 HB3 LYS A 427 -0.243 4.162 4.798 1.00 0.00 H new ATOM 0 HG2 LYS A 427 -1.097 5.627 6.532 1.00 0.00 H new ATOM 0 HG3 LYS A 427 -2.434 6.137 5.521 1.00 0.00 H new ATOM 0 HD2 LYS A 427 -3.577 4.518 6.649 1.00 0.00 H new ATOM 0 HD3 LYS A 427 -2.848 3.450 5.466 1.00 0.00 H new ATOM 0 HE2 LYS A 427 -1.294 4.093 7.963 1.00 0.00 H new ATOM 0 HE3 LYS A 427 -2.643 2.981 8.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 427 -1.421 1.380 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 427 -1.055 2.321 5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 427 -0.078 2.419 7.213 1.00 0.00 H new ATOM 590 N ILE A 428 2.031 5.595 3.468 1.00 0.00 N ATOM 591 CA ILE A 428 3.202 5.137 2.729 1.00 0.00 C ATOM 592 C ILE A 428 3.607 3.732 3.161 1.00 0.00 C ATOM 593 O ILE A 428 3.500 3.378 4.335 1.00 0.00 O ATOM 594 CB ILE A 428 4.399 6.088 2.924 1.00 0.00 C ATOM 595 CG1 ILE A 428 3.980 7.537 2.659 1.00 0.00 C ATOM 596 CG2 ILE A 428 5.549 5.687 2.010 1.00 0.00 C ATOM 597 CD1 ILE A 428 4.518 8.517 3.679 1.00 0.00 C ATOM 0 H ILE A 428 2.231 5.934 4.409 1.00 0.00 H new ATOM 0 HA ILE A 428 2.927 5.126 1.674 1.00 0.00 H new ATOM 0 HB ILE A 428 4.738 6.012 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 428 4.324 7.831 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 428 2.892 7.596 2.649 1.00 0.00 H new ATOM 0 HG21 ILE A 428 6.387 6.368 2.159 1.00 0.00 H new ATOM 0 HG22 ILE A 428 5.862 4.670 2.244 1.00 0.00 H new ATOM 0 HG23 ILE A 428 5.222 5.736 0.971 1.00 0.00 H new ATOM 0 HD11 ILE A 428 4.182 9.523 3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 428 4.153 8.248 4.670 1.00 0.00 H new ATOM 0 HD13 ILE A 428 5.608 8.486 3.673 1.00 0.00 H new ATOM 609 N PHE A 429 4.072 2.935 2.205 1.00 0.00 N ATOM 610 CA PHE A 429 4.493 1.568 2.487 1.00 0.00 C ATOM 611 C PHE A 429 5.826 1.254 1.807 1.00 0.00 C ATOM 612 O PHE A 429 5.962 1.417 0.593 1.00 0.00 O ATOM 613 CB PHE A 429 3.425 0.577 2.019 1.00 0.00 C ATOM 614 CG PHE A 429 2.092 0.760 2.690 1.00 0.00 C ATOM 615 CD1 PHE A 429 1.865 0.253 3.959 1.00 0.00 C ATOM 616 CD2 PHE A 429 1.064 1.437 2.049 1.00 0.00 C ATOM 617 CE1 PHE A 429 0.640 0.416 4.577 1.00 0.00 C ATOM 618 CE2 PHE A 429 -0.162 1.602 2.662 1.00 0.00 C ATOM 619 CZ PHE A 429 -0.376 1.092 3.927 1.00 0.00 C ATOM 0 H PHE A 429 4.167 3.212 1.228 1.00 0.00 H new ATOM 0 HA PHE A 429 4.624 1.471 3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 429 3.296 0.678 0.941 1.00 0.00 H new ATOM 0 HB3 PHE A 429 3.778 -0.438 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 429 2.655 -0.276 4.471 1.00 0.00 H new ATOM 0 HD2 PHE A 429 1.225 1.839 1.060 1.00 0.00 H new ATOM 0 HE1 PHE A 429 0.476 0.016 5.567 1.00 0.00 H new ATOM 0 HE2 PHE A 429 -0.954 2.130 2.152 1.00 0.00 H new ATOM 0 HZ PHE A 429 -1.335 1.221 4.408 1.00 0.00 H new ATOM 629 N PRO A 430 6.831 0.793 2.577 1.00 0.00 N ATOM 630 CA PRO A 430 8.151 0.453 2.032 1.00 0.00 C ATOM 631 C PRO A 430 8.090 -0.738 1.083 1.00 0.00 C ATOM 632 O PRO A 430 7.159 -1.543 1.140 1.00 0.00 O ATOM 633 CB PRO A 430 8.981 0.112 3.273 1.00 0.00 C ATOM 634 CG PRO A 430 7.983 -0.265 4.312 1.00 0.00 C ATOM 635 CD PRO A 430 6.759 0.561 4.031 1.00 0.00 C ATOM 0 HA PRO A 430 8.570 1.268 1.442 1.00 0.00 H new ATOM 0 HB2 PRO A 430 9.671 -0.707 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 430 9.581 0.964 3.593 1.00 0.00 H new ATOM 0 HG2 PRO A 430 7.754 -1.330 4.265 1.00 0.00 H new ATOM 0 HG3 PRO A 430 8.367 -0.065 5.312 1.00 0.00 H new ATOM 0 HD2 PRO A 430 5.846 0.034 4.309 1.00 0.00 H new ATOM 0 HD3 PRO A 430 6.769 1.498 4.589 1.00 0.00 H new ATOM 643 N ALA A 431 9.083 -0.845 0.204 1.00 0.00 N ATOM 644 CA ALA A 431 9.134 -1.937 -0.763 1.00 0.00 C ATOM 645 C ALA A 431 9.022 -3.293 -0.072 1.00 0.00 C ATOM 646 O ALA A 431 8.448 -4.234 -0.620 1.00 0.00 O ATOM 647 CB ALA A 431 10.418 -1.864 -1.576 1.00 0.00 C ATOM 0 H ALA A 431 9.862 -0.190 0.142 1.00 0.00 H new ATOM 0 HA ALA A 431 8.283 -1.830 -1.435 1.00 0.00 H new ATOM 0 HB1 ALA A 431 10.442 -2.685 -2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 431 10.457 -0.915 -2.110 1.00 0.00 H new ATOM 0 HB3 ALA A 431 11.276 -1.940 -0.908 1.00 0.00 H new ATOM 653 N THR A 432 9.559 -3.383 1.141 1.00 0.00 N ATOM 654 CA THR A 432 9.501 -4.623 1.909 1.00 0.00 C ATOM 655 C THR A 432 8.086 -4.866 2.419 1.00 0.00 C ATOM 656 O THR A 432 7.690 -6.006 2.661 1.00 0.00 O ATOM 657 CB THR A 432 10.482 -4.573 3.082 1.00 0.00 C ATOM 658 OG1 THR A 432 10.234 -3.440 3.895 1.00 0.00 O ATOM 659 CG2 THR A 432 11.931 -4.518 2.649 1.00 0.00 C ATOM 0 H THR A 432 10.038 -2.615 1.612 1.00 0.00 H new ATOM 0 HA THR A 432 9.783 -5.447 1.253 1.00 0.00 H new ATOM 0 HB THR A 432 10.319 -5.499 3.634 1.00 0.00 H new ATOM 0 HG1 THR A 432 10.870 -3.427 4.640 1.00 0.00 H new ATOM 0 HG21 THR A 432 12.573 -4.484 3.529 1.00 0.00 H new ATOM 0 HG22 THR A 432 12.169 -5.404 2.060 1.00 0.00 H new ATOM 0 HG23 THR A 432 12.097 -3.626 2.045 1.00 0.00 H new ATOM 667 N GLU A 433 7.324 -3.787 2.567 1.00 0.00 N ATOM 668 CA GLU A 433 5.948 -3.886 3.034 1.00 0.00 C ATOM 669 C GLU A 433 4.983 -3.985 1.854 1.00 0.00 C ATOM 670 O GLU A 433 3.780 -3.771 2.007 1.00 0.00 O ATOM 671 CB GLU A 433 5.589 -2.679 3.902 1.00 0.00 C ATOM 672 CG GLU A 433 6.080 -2.795 5.336 1.00 0.00 C ATOM 673 CD GLU A 433 5.692 -1.599 6.184 1.00 0.00 C ATOM 674 OE1 GLU A 433 4.607 -1.028 5.945 1.00 0.00 O ATOM 675 OE2 GLU A 433 6.473 -1.234 7.088 1.00 0.00 O ATOM 0 H GLU A 433 7.636 -2.836 2.370 1.00 0.00 H new ATOM 0 HA GLU A 433 5.859 -4.791 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 433 6.012 -1.780 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 433 4.506 -2.554 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 433 5.672 -3.701 5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 433 7.165 -2.900 5.337 1.00 0.00 H new ATOM 682 N LYS A 434 5.515 -4.318 0.677 1.00 0.00 N ATOM 683 CA LYS A 434 4.693 -4.452 -0.520 1.00 0.00 C ATOM 684 C LYS A 434 3.558 -5.436 -0.276 1.00 0.00 C ATOM 685 O LYS A 434 2.458 -5.275 -0.799 1.00 0.00 O ATOM 686 CB LYS A 434 5.546 -4.918 -1.703 1.00 0.00 C ATOM 687 CG LYS A 434 4.779 -4.990 -3.014 1.00 0.00 C ATOM 688 CD LYS A 434 5.125 -6.246 -3.797 1.00 0.00 C ATOM 689 CE LYS A 434 4.311 -6.349 -5.076 1.00 0.00 C ATOM 690 NZ LYS A 434 3.960 -7.759 -5.399 1.00 0.00 N ATOM 0 H LYS A 434 6.508 -4.499 0.530 1.00 0.00 H new ATOM 0 HA LYS A 434 4.267 -3.477 -0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 434 6.390 -4.238 -1.822 1.00 0.00 H new ATOM 0 HB3 LYS A 434 5.958 -5.902 -1.478 1.00 0.00 H new ATOM 0 HG2 LYS A 434 3.708 -4.971 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 434 5.005 -4.111 -3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 434 6.187 -6.243 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 434 4.943 -7.124 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 434 3.398 -5.762 -4.974 1.00 0.00 H new ATOM 0 HE3 LYS A 434 4.876 -5.917 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 434 3.556 -7.806 -6.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 434 4.816 -8.349 -5.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 434 3.263 -8.109 -4.711 1.00 0.00 H new ATOM 704 N GLN A 435 3.834 -6.451 0.537 1.00 0.00 N ATOM 705 CA GLN A 435 2.833 -7.455 0.869 1.00 0.00 C ATOM 706 C GLN A 435 1.688 -6.810 1.643 1.00 0.00 C ATOM 707 O GLN A 435 0.512 -6.970 1.300 1.00 0.00 O ATOM 708 CB GLN A 435 3.460 -8.582 1.698 1.00 0.00 C ATOM 709 CG GLN A 435 4.896 -8.908 1.309 1.00 0.00 C ATOM 710 CD GLN A 435 5.348 -10.259 1.826 1.00 0.00 C ATOM 711 OE1 GLN A 435 6.193 -10.346 2.717 1.00 0.00 O ATOM 712 NE2 GLN A 435 4.784 -11.325 1.268 1.00 0.00 N ATOM 0 H GLN A 435 4.742 -6.599 0.977 1.00 0.00 H new ATOM 0 HA GLN A 435 2.443 -7.880 -0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 435 3.434 -8.303 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 435 2.852 -9.480 1.591 1.00 0.00 H new ATOM 0 HG2 GLN A 435 4.987 -8.890 0.223 1.00 0.00 H new ATOM 0 HG3 GLN A 435 5.558 -8.134 1.698 1.00 0.00 H new ATOM 0 HE21 GLN A 435 4.088 -11.207 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 435 5.048 -12.261 1.576 1.00 0.00 H new ATOM 721 N ILE A 436 2.047 -6.053 2.678 1.00 0.00 N ATOM 722 CA ILE A 436 1.062 -5.358 3.491 1.00 0.00 C ATOM 723 C ILE A 436 0.411 -4.250 2.679 1.00 0.00 C ATOM 724 O ILE A 436 -0.775 -3.961 2.836 1.00 0.00 O ATOM 725 CB ILE A 436 1.699 -4.753 4.759 1.00 0.00 C ATOM 726 CG1 ILE A 436 2.491 -5.819 5.516 1.00 0.00 C ATOM 727 CG2 ILE A 436 0.627 -4.147 5.653 1.00 0.00 C ATOM 728 CD1 ILE A 436 3.502 -5.246 6.486 1.00 0.00 C ATOM 0 H ILE A 436 3.013 -5.908 2.970 1.00 0.00 H new ATOM 0 HA ILE A 436 0.312 -6.087 3.798 1.00 0.00 H new ATOM 0 HB ILE A 436 2.386 -3.961 4.460 1.00 0.00 H new ATOM 0 HG12 ILE A 436 1.796 -6.457 6.063 1.00 0.00 H new ATOM 0 HG13 ILE A 436 3.009 -6.454 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 436 1.092 -3.724 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 436 0.102 -3.361 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 436 -0.082 -4.921 5.947 1.00 0.00 H new ATOM 0 HD11 ILE A 436 4.027 -6.059 6.987 1.00 0.00 H new ATOM 0 HD12 ILE A 436 4.220 -4.632 5.943 1.00 0.00 H new ATOM 0 HD13 ILE A 436 2.988 -4.634 7.228 1.00 0.00 H new ATOM 740 N PHE A 437 1.196 -3.645 1.793 1.00 0.00 N ATOM 741 CA PHE A 437 0.699 -2.582 0.935 1.00 0.00 C ATOM 742 C PHE A 437 -0.359 -3.133 -0.011 1.00 0.00 C ATOM 743 O PHE A 437 -1.426 -2.543 -0.176 1.00 0.00 O ATOM 744 CB PHE A 437 1.846 -1.957 0.136 1.00 0.00 C ATOM 745 CG PHE A 437 1.382 -0.984 -0.909 1.00 0.00 C ATOM 746 CD1 PHE A 437 0.432 -0.025 -0.603 1.00 0.00 C ATOM 747 CD2 PHE A 437 1.889 -1.034 -2.198 1.00 0.00 C ATOM 748 CE1 PHE A 437 -0.004 0.869 -1.560 1.00 0.00 C ATOM 749 CE2 PHE A 437 1.455 -0.143 -3.162 1.00 0.00 C ATOM 750 CZ PHE A 437 0.507 0.811 -2.840 1.00 0.00 C ATOM 0 H PHE A 437 2.180 -3.875 1.653 1.00 0.00 H new ATOM 0 HA PHE A 437 0.252 -1.809 1.559 1.00 0.00 H new ATOM 0 HB2 PHE A 437 2.522 -1.447 0.822 1.00 0.00 H new ATOM 0 HB3 PHE A 437 2.419 -2.750 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 437 0.027 0.024 0.397 1.00 0.00 H new ATOM 0 HD2 PHE A 437 2.631 -1.777 -2.452 1.00 0.00 H new ATOM 0 HE1 PHE A 437 -0.745 1.613 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 437 1.855 -0.192 -4.164 1.00 0.00 H new ATOM 0 HZ PHE A 437 0.167 1.510 -3.590 1.00 0.00 H new ATOM 760 N GLU A 438 -0.059 -4.277 -0.618 1.00 0.00 N ATOM 761 CA GLU A 438 -0.990 -4.917 -1.538 1.00 0.00 C ATOM 762 C GLU A 438 -2.299 -5.217 -0.823 1.00 0.00 C ATOM 763 O GLU A 438 -3.381 -4.965 -1.352 1.00 0.00 O ATOM 764 CB GLU A 438 -0.387 -6.208 -2.098 1.00 0.00 C ATOM 765 CG GLU A 438 0.534 -5.983 -3.286 1.00 0.00 C ATOM 766 CD GLU A 438 0.785 -7.252 -4.077 1.00 0.00 C ATOM 767 OE1 GLU A 438 1.235 -8.249 -3.474 1.00 0.00 O ATOM 768 OE2 GLU A 438 0.532 -7.247 -5.300 1.00 0.00 O ATOM 0 H GLU A 438 0.820 -4.778 -0.489 1.00 0.00 H new ATOM 0 HA GLU A 438 -1.185 -4.238 -2.368 1.00 0.00 H new ATOM 0 HB2 GLU A 438 0.169 -6.712 -1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 438 -1.194 -6.877 -2.396 1.00 0.00 H new ATOM 0 HG2 GLU A 438 0.097 -5.230 -3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 438 1.485 -5.585 -2.933 1.00 0.00 H new ATOM 775 N ASP A 439 -2.190 -5.739 0.395 1.00 0.00 N ATOM 776 CA ASP A 439 -3.367 -6.049 1.192 1.00 0.00 C ATOM 777 C ASP A 439 -4.089 -4.764 1.585 1.00 0.00 C ATOM 778 O ASP A 439 -5.319 -4.716 1.633 1.00 0.00 O ATOM 779 CB ASP A 439 -2.971 -6.833 2.445 1.00 0.00 C ATOM 780 CG ASP A 439 -4.176 -7.354 3.205 1.00 0.00 C ATOM 781 OD1 ASP A 439 -5.254 -6.730 3.107 1.00 0.00 O ATOM 782 OD2 ASP A 439 -4.041 -8.384 3.898 1.00 0.00 O ATOM 0 H ASP A 439 -1.302 -5.955 0.848 1.00 0.00 H new ATOM 0 HA ASP A 439 -4.040 -6.664 0.594 1.00 0.00 H new ATOM 0 HB2 ASP A 439 -2.334 -7.671 2.160 1.00 0.00 H new ATOM 0 HB3 ASP A 439 -2.381 -6.192 3.100 1.00 0.00 H new ATOM 787 N HIS A 440 -3.309 -3.721 1.863 1.00 0.00 N ATOM 788 CA HIS A 440 -3.864 -2.429 2.252 1.00 0.00 C ATOM 789 C HIS A 440 -4.663 -1.810 1.109 1.00 0.00 C ATOM 790 O HIS A 440 -5.789 -1.351 1.306 1.00 0.00 O ATOM 791 CB HIS A 440 -2.741 -1.480 2.677 1.00 0.00 C ATOM 792 CG HIS A 440 -3.224 -0.131 3.110 1.00 0.00 C ATOM 793 ND1 HIS A 440 -3.814 0.119 4.329 1.00 0.00 N ATOM 794 CD2 HIS A 440 -3.192 1.061 2.459 1.00 0.00 C ATOM 795 CE1 HIS A 440 -4.114 1.423 4.380 1.00 0.00 C ATOM 796 NE2 HIS A 440 -3.755 2.039 3.271 1.00 0.00 N ATOM 0 H HIS A 440 -2.290 -3.747 1.826 1.00 0.00 H new ATOM 0 HA HIS A 440 -4.538 -2.589 3.094 1.00 0.00 H new ATOM 0 HB2 HIS A 440 -2.182 -1.936 3.495 1.00 0.00 H new ATOM 0 HB3 HIS A 440 -2.047 -1.358 1.846 1.00 0.00 H new ATOM 0 HD1 HIS A 440 -3.991 -0.567 5.063 1.00 0.00 H new ATOM 0 HD2 HIS A 440 -2.793 1.223 1.469 1.00 0.00 H new ATOM 0 HE1 HIS A 440 -4.589 1.907 5.221 1.00 0.00 H new ATOM 804 N VAL A 441 -4.082 -1.806 -0.089 1.00 0.00 N ATOM 805 CA VAL A 441 -4.760 -1.247 -1.254 1.00 0.00 C ATOM 806 C VAL A 441 -5.952 -2.112 -1.642 1.00 0.00 C ATOM 807 O VAL A 441 -6.968 -1.610 -2.125 1.00 0.00 O ATOM 808 CB VAL A 441 -3.822 -1.118 -2.475 1.00 0.00 C ATOM 809 CG1 VAL A 441 -4.329 -0.039 -3.419 1.00 0.00 C ATOM 810 CG2 VAL A 441 -2.394 -0.818 -2.045 1.00 0.00 C ATOM 0 H VAL A 441 -3.152 -2.180 -0.277 1.00 0.00 H new ATOM 0 HA VAL A 441 -5.093 -0.249 -0.970 1.00 0.00 H new ATOM 0 HB VAL A 441 -3.820 -2.073 -3.000 1.00 0.00 H new ATOM 0 HG11 VAL A 441 -3.658 0.041 -4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 441 -5.329 -0.299 -3.765 1.00 0.00 H new ATOM 0 HG13 VAL A 441 -4.363 0.916 -2.895 1.00 0.00 H new ATOM 0 HG21 VAL A 441 -1.759 -0.733 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 441 -2.371 0.119 -1.489 1.00 0.00 H new ATOM 0 HG23 VAL A 441 -2.028 -1.625 -1.410 1.00 0.00 H new ATOM 820 N PHE A 442 -5.822 -3.417 -1.420 1.00 0.00 N ATOM 821 CA PHE A 442 -6.887 -4.357 -1.739 1.00 0.00 C ATOM 822 C PHE A 442 -8.132 -4.065 -0.907 1.00 0.00 C ATOM 823 O PHE A 442 -9.248 -4.066 -1.425 1.00 0.00 O ATOM 824 CB PHE A 442 -6.418 -5.793 -1.492 1.00 0.00 C ATOM 825 CG PHE A 442 -6.116 -6.549 -2.755 1.00 0.00 C ATOM 826 CD1 PHE A 442 -5.107 -6.127 -3.606 1.00 0.00 C ATOM 827 CD2 PHE A 442 -6.841 -7.683 -3.088 1.00 0.00 C ATOM 828 CE1 PHE A 442 -4.828 -6.821 -4.769 1.00 0.00 C ATOM 829 CE2 PHE A 442 -6.565 -8.380 -4.248 1.00 0.00 C ATOM 830 CZ PHE A 442 -5.558 -7.949 -5.089 1.00 0.00 C ATOM 0 H PHE A 442 -4.988 -3.846 -1.020 1.00 0.00 H new ATOM 0 HA PHE A 442 -7.140 -4.242 -2.793 1.00 0.00 H new ATOM 0 HB2 PHE A 442 -5.525 -5.773 -0.867 1.00 0.00 H new ATOM 0 HB3 PHE A 442 -7.186 -6.327 -0.933 1.00 0.00 H new ATOM 0 HD1 PHE A 442 -4.532 -5.247 -3.358 1.00 0.00 H new ATOM 0 HD2 PHE A 442 -7.629 -8.025 -2.434 1.00 0.00 H new ATOM 0 HE1 PHE A 442 -4.041 -6.482 -5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 442 -7.137 -9.262 -4.497 1.00 0.00 H new ATOM 0 HZ PHE A 442 -5.341 -8.494 -5.996 1.00 0.00 H new ATOM 840 N CYS A 443 -7.932 -3.811 0.383 1.00 0.00 N ATOM 841 CA CYS A 443 -9.041 -3.515 1.282 1.00 0.00 C ATOM 842 C CYS A 443 -9.877 -2.356 0.751 1.00 0.00 C ATOM 843 O CYS A 443 -11.087 -2.295 0.967 1.00 0.00 O ATOM 844 CB CYS A 443 -8.516 -3.179 2.680 1.00 0.00 C ATOM 845 SG CYS A 443 -9.727 -3.420 4.001 1.00 0.00 S ATOM 0 H CYS A 443 -7.014 -3.804 0.828 1.00 0.00 H new ATOM 0 HA CYS A 443 -9.674 -4.400 1.341 1.00 0.00 H new ATOM 0 HB2 CYS A 443 -7.642 -3.796 2.886 1.00 0.00 H new ATOM 0 HB3 CYS A 443 -8.183 -2.141 2.692 1.00 0.00 H new ATOM 0 HG CYS A 443 -9.189 -3.112 5.144 1.00 0.00 H new ATOM 851 N HIS A 444 -9.220 -1.439 0.051 1.00 0.00 N ATOM 852 CA HIS A 444 -9.894 -0.280 -0.518 1.00 0.00 C ATOM 853 C HIS A 444 -10.627 -0.649 -1.807 1.00 0.00 C ATOM 854 O HIS A 444 -11.559 0.041 -2.221 1.00 0.00 O ATOM 855 CB HIS A 444 -8.883 0.836 -0.789 1.00 0.00 C ATOM 856 CG HIS A 444 -7.895 1.021 0.320 1.00 0.00 C ATOM 857 ND1 HIS A 444 -8.213 0.905 1.656 1.00 0.00 N ATOM 858 CD2 HIS A 444 -6.569 1.308 0.276 1.00 0.00 C ATOM 859 CE1 HIS A 444 -7.097 1.121 2.364 1.00 0.00 C ATOM 860 NE2 HIS A 444 -6.071 1.369 1.573 1.00 0.00 N ATOM 0 H HIS A 444 -8.218 -1.477 -0.136 1.00 0.00 H new ATOM 0 HA HIS A 444 -10.631 0.072 0.203 1.00 0.00 H new ATOM 0 HB2 HIS A 444 -8.346 0.615 -1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 444 -9.419 1.772 -0.949 1.00 0.00 H new ATOM 0 HD1 HIS A 444 -9.135 0.692 2.038 1.00 0.00 H new ATOM 0 HD2 HIS A 444 -5.992 1.464 -0.624 1.00 0.00 H new ATOM 0 HE1 HIS A 444 -7.044 1.095 3.442 1.00 0.00 H new ATOM 868 N SER A 445 -10.201 -1.741 -2.437 1.00 0.00 N ATOM 869 CA SER A 445 -10.819 -2.197 -3.678 1.00 0.00 C ATOM 870 C SER A 445 -11.877 -3.268 -3.410 1.00 0.00 C ATOM 871 O SER A 445 -12.694 -3.572 -4.279 1.00 0.00 O ATOM 872 CB SER A 445 -9.754 -2.744 -4.630 1.00 0.00 C ATOM 873 OG SER A 445 -9.086 -1.694 -5.306 1.00 0.00 O ATOM 0 H SER A 445 -9.432 -2.325 -2.109 1.00 0.00 H new ATOM 0 HA SER A 445 -11.310 -1.341 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 445 -9.031 -3.338 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 445 -10.219 -3.410 -5.356 1.00 0.00 H new ATOM 0 HG SER A 445 -8.409 -2.070 -5.907 1.00 0.00 H new ATOM 879 N LEU A 446 -11.861 -3.837 -2.207 1.00 0.00 N ATOM 880 CA LEU A 446 -12.825 -4.869 -1.841 1.00 0.00 C ATOM 881 C LEU A 446 -14.003 -4.268 -1.081 1.00 0.00 C ATOM 882 O LEU A 446 -15.149 -4.694 -1.336 1.00 0.00 O ATOM 883 CB LEU A 446 -12.154 -5.951 -0.990 1.00 0.00 C ATOM 884 CG LEU A 446 -10.993 -6.688 -1.663 1.00 0.00 C ATOM 885 CD1 LEU A 446 -10.568 -7.887 -0.830 1.00 0.00 C ATOM 886 CD2 LEU A 446 -11.378 -7.125 -3.069 1.00 0.00 C ATOM 887 OXT LEU A 446 -13.770 -3.378 -0.238 1.00 0.00 O ATOM 0 H LEU A 446 -11.194 -3.602 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 446 -13.199 -5.321 -2.760 1.00 0.00 H new ATOM 0 HB2 LEU A 446 -11.788 -5.492 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 446 -12.909 -6.683 -0.702 1.00 0.00 H new ATOM 0 HG LEU A 446 -10.149 -6.002 -1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 446 -9.742 -8.399 -1.324 1.00 0.00 H new ATOM 0 HD12 LEU A 446 -10.249 -7.550 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 446 -11.408 -8.573 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 446 -10.540 -7.647 -3.530 1.00 0.00 H new ATOM 0 HD22 LEU A 446 -12.238 -7.793 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 446 -11.632 -6.249 -3.665 1.00 0.00 H new TER 899 LEU A 446 HETATM 900 ZN ZN A 447 -5.064 3.056 2.140 1.00 0.00 ZN