USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 557 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 41 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 50 TYR OH : rot 28:sc= 0.455 USER MOD Set 2.1: A 22 LYS NZ :NH3+ -140:sc= -0.0247 (180deg=-0.321) USER MOD Set 2.2: A 24 GLN : amide:sc= -0.173 X(o=-0.2,f=-0.0069) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.159 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ 146:sc= -0.205 (180deg=-1.54!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 MET CE :methyl -115:sc= -0.442 (180deg=-3.58!) USER MOD Single : A 33 HIS : no HD1:sc= -2.81! X(o=-2.8!,f=-2.5) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.28 K(o=-1.3,f=-9.5!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -142:sc= 0.445 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00916 USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 60 THR OG1 : rot 79:sc= 1.2 USER MOD Single : A 81 SER OG : rot 81:sc= 0.664 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 2 21.320 -5.902 -7.205 1.00 0.00 N ATOM 18 CA LYS A 2 20.083 -5.933 -6.376 1.00 0.00 C ATOM 19 C LYS A 2 19.909 -4.602 -5.640 1.00 0.00 C ATOM 20 O LYS A 2 20.209 -4.484 -4.470 1.00 0.00 O ATOM 21 CB LYS A 2 20.303 -7.073 -5.381 1.00 0.00 C ATOM 22 CG LYS A 2 20.180 -8.415 -6.106 1.00 0.00 C ATOM 23 CD LYS A 2 20.171 -9.550 -5.081 1.00 0.00 C ATOM 24 CE LYS A 2 20.635 -10.847 -5.750 1.00 0.00 C ATOM 25 NZ LYS A 2 19.394 -11.463 -6.297 1.00 0.00 N ATOM 0 HA LYS A 2 19.185 -6.084 -6.976 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.288 -6.984 -4.922 1.00 0.00 H new ATOM 0 HB3 LYS A 2 19.570 -7.014 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.265 -8.438 -6.698 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.011 -8.543 -6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 2 20.827 -9.305 -4.245 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.168 -9.678 -4.673 1.00 0.00 H new ATOM 0 HE2 LYS A 2 21.358 -10.647 -6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 2 21.122 -11.509 -5.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.631 -12.358 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.727 -11.649 -5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.956 -10.813 -6.981 1.00 0.00 H new ATOM 39 N ALA A 3 19.427 -3.598 -6.322 1.00 0.00 N ATOM 40 CA ALA A 3 19.236 -2.273 -5.665 1.00 0.00 C ATOM 41 C ALA A 3 17.866 -2.213 -4.983 1.00 0.00 C ATOM 42 O ALA A 3 16.871 -2.651 -5.527 1.00 0.00 O ATOM 43 CB ALA A 3 19.315 -1.255 -6.803 1.00 0.00 C ATOM 0 H ALA A 3 19.157 -3.638 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 3 19.982 -2.082 -4.893 1.00 0.00 H new ATOM 0 HB1 ALA A 3 19.183 -0.250 -6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.288 -1.327 -7.289 1.00 0.00 H new ATOM 0 HB3 ALA A 3 18.530 -1.461 -7.531 1.00 0.00 H new ATOM 49 N SER A 4 17.808 -1.674 -3.795 1.00 0.00 N ATOM 50 CA SER A 4 16.502 -1.587 -3.076 1.00 0.00 C ATOM 51 C SER A 4 15.513 -0.733 -3.874 1.00 0.00 C ATOM 52 O SER A 4 15.626 -0.592 -5.075 1.00 0.00 O ATOM 53 CB SER A 4 16.824 -0.925 -1.734 1.00 0.00 C ATOM 54 OG SER A 4 18.205 -0.589 -1.686 1.00 0.00 O ATOM 0 H SER A 4 18.607 -1.290 -3.291 1.00 0.00 H new ATOM 0 HA SER A 4 16.041 -2.566 -2.944 1.00 0.00 H new ATOM 0 HB2 SER A 4 16.217 -0.029 -1.604 1.00 0.00 H new ATOM 0 HB3 SER A 4 16.575 -1.600 -0.915 1.00 0.00 H new ATOM 0 HG SER A 4 18.409 -0.164 -0.827 1.00 0.00 H new ATOM 60 N CYS A 5 14.540 -0.163 -3.215 1.00 0.00 N ATOM 61 CA CYS A 5 13.541 0.678 -3.936 1.00 0.00 C ATOM 62 C CYS A 5 13.516 2.094 -3.353 1.00 0.00 C ATOM 63 O CYS A 5 14.423 2.505 -2.656 1.00 0.00 O ATOM 64 CB CYS A 5 12.201 -0.019 -3.708 1.00 0.00 C ATOM 65 SG CYS A 5 12.305 -1.731 -4.286 1.00 0.00 S ATOM 0 H CYS A 5 14.394 -0.243 -2.209 1.00 0.00 H new ATOM 0 HA CYS A 5 13.775 0.778 -4.996 1.00 0.00 H new ATOM 0 HB2 CYS A 5 11.943 0.004 -2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 5 11.409 0.508 -4.240 1.00 0.00 H new ATOM 70 N LYS A 6 12.485 2.846 -3.634 1.00 0.00 N ATOM 71 CA LYS A 6 12.406 4.235 -3.095 1.00 0.00 C ATOM 72 C LYS A 6 10.946 4.646 -2.888 1.00 0.00 C ATOM 73 O LYS A 6 10.230 4.919 -3.830 1.00 0.00 O ATOM 74 CB LYS A 6 13.061 5.111 -4.161 1.00 0.00 C ATOM 75 CG LYS A 6 13.891 6.202 -3.484 1.00 0.00 C ATOM 76 CD LYS A 6 13.701 7.526 -4.226 1.00 0.00 C ATOM 77 CE LYS A 6 13.990 8.689 -3.276 1.00 0.00 C ATOM 78 NZ LYS A 6 14.430 9.805 -4.160 1.00 0.00 N ATOM 0 H LYS A 6 11.695 2.559 -4.212 1.00 0.00 H new ATOM 0 HA LYS A 6 12.900 4.328 -2.128 1.00 0.00 H new ATOM 0 HB2 LYS A 6 13.696 4.504 -4.806 1.00 0.00 H new ATOM 0 HB3 LYS A 6 12.298 5.561 -4.796 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.588 6.310 -2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 6 14.945 5.923 -3.482 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.368 7.572 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 6 12.682 7.598 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 6 13.103 8.963 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 6 14.764 8.427 -2.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 14.647 10.641 -3.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 15.280 9.517 -4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 13.670 10.036 -4.831 1.00 0.00 H new ATOM 92 N LEU A 7 10.505 4.698 -1.660 1.00 0.00 N ATOM 93 CA LEU A 7 9.094 5.094 -1.381 1.00 0.00 C ATOM 94 C LEU A 7 8.677 6.261 -2.286 1.00 0.00 C ATOM 95 O LEU A 7 9.018 7.397 -2.019 1.00 0.00 O ATOM 96 CB LEU A 7 9.096 5.531 0.085 1.00 0.00 C ATOM 97 CG LEU A 7 10.156 6.613 0.291 1.00 0.00 C ATOM 98 CD1 LEU A 7 9.495 7.875 0.847 1.00 0.00 C ATOM 99 CD2 LEU A 7 11.211 6.113 1.281 1.00 0.00 C ATOM 0 H LEU A 7 11.064 4.482 -0.834 1.00 0.00 H new ATOM 0 HA LEU A 7 8.392 4.282 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 7 8.113 5.911 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 7 9.302 4.677 0.730 1.00 0.00 H new ATOM 0 HG LEU A 7 10.632 6.841 -0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 7 10.250 8.647 0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.743 8.232 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 7 9.019 7.647 1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 7 11.967 6.885 1.428 1.00 0.00 H new ATOM 0 HD22 LEU A 7 10.736 5.885 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 7 11.683 5.213 0.886 1.00 0.00 H new ATOM 111 N PRO A 8 7.952 5.948 -3.333 1.00 0.00 N ATOM 112 CA PRO A 8 7.494 6.992 -4.281 1.00 0.00 C ATOM 113 C PRO A 8 6.506 7.944 -3.599 1.00 0.00 C ATOM 114 O PRO A 8 6.310 9.063 -4.030 1.00 0.00 O ATOM 115 CB PRO A 8 6.802 6.172 -5.373 1.00 0.00 C ATOM 116 CG PRO A 8 6.887 4.679 -5.003 1.00 0.00 C ATOM 117 CD PRO A 8 7.556 4.551 -3.628 1.00 0.00 C ATOM 0 HA PRO A 8 8.298 7.623 -4.660 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.760 6.478 -5.471 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.279 6.349 -6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.891 4.238 -4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.460 4.135 -5.754 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.870 4.157 -2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.416 3.883 -3.656 1.00 0.00 H new ATOM 125 N VAL A 9 5.878 7.510 -2.539 1.00 0.00 N ATOM 126 CA VAL A 9 4.901 8.395 -1.835 1.00 0.00 C ATOM 127 C VAL A 9 5.502 8.899 -0.520 1.00 0.00 C ATOM 128 O VAL A 9 6.694 9.107 -0.409 1.00 0.00 O ATOM 129 CB VAL A 9 3.666 7.526 -1.552 1.00 0.00 C ATOM 130 CG1 VAL A 9 2.423 8.416 -1.496 1.00 0.00 C ATOM 131 CG2 VAL A 9 3.484 6.483 -2.661 1.00 0.00 C ATOM 0 H VAL A 9 5.998 6.583 -2.130 1.00 0.00 H new ATOM 0 HA VAL A 9 4.646 9.267 -2.437 1.00 0.00 H new ATOM 0 HB VAL A 9 3.805 7.015 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.545 7.802 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.539 9.154 -0.702 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.298 8.927 -2.451 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.605 5.874 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.352 6.988 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 9 4.366 5.844 -2.707 1.00 0.00 H new ATOM 141 N LYS A 10 4.683 9.101 0.475 1.00 0.00 N ATOM 142 CA LYS A 10 5.203 9.597 1.782 1.00 0.00 C ATOM 143 C LYS A 10 4.539 8.856 2.950 1.00 0.00 C ATOM 144 O LYS A 10 5.111 8.728 4.014 1.00 0.00 O ATOM 145 CB LYS A 10 4.832 11.079 1.811 1.00 0.00 C ATOM 146 CG LYS A 10 5.775 11.825 2.758 1.00 0.00 C ATOM 147 CD LYS A 10 7.144 11.980 2.095 1.00 0.00 C ATOM 148 CE LYS A 10 7.825 13.247 2.620 1.00 0.00 C ATOM 149 NZ LYS A 10 8.985 13.465 1.711 1.00 0.00 N ATOM 0 H LYS A 10 3.676 8.944 0.440 1.00 0.00 H new ATOM 0 HA LYS A 10 6.276 9.435 1.883 1.00 0.00 H new ATOM 0 HB2 LYS A 10 4.899 11.501 0.808 1.00 0.00 H new ATOM 0 HB3 LYS A 10 3.800 11.200 2.140 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.364 12.805 3.001 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.873 11.279 3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 10 7.763 11.108 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.031 12.037 1.012 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.144 14.098 2.602 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.151 13.121 3.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.503 14.317 2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 9.619 12.642 1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 8.644 13.588 0.736 1.00 0.00 H new ATOM 163 N LYS A 11 3.339 8.372 2.767 1.00 0.00 N ATOM 164 CA LYS A 11 2.651 7.648 3.877 1.00 0.00 C ATOM 165 C LYS A 11 1.766 6.529 3.318 1.00 0.00 C ATOM 166 O LYS A 11 0.557 6.571 3.425 1.00 0.00 O ATOM 167 CB LYS A 11 1.793 8.709 4.567 1.00 0.00 C ATOM 168 CG LYS A 11 2.633 9.962 4.829 1.00 0.00 C ATOM 169 CD LYS A 11 1.764 11.027 5.500 1.00 0.00 C ATOM 170 CE LYS A 11 2.150 11.144 6.977 1.00 0.00 C ATOM 171 NZ LYS A 11 2.186 12.608 7.251 1.00 0.00 N ATOM 0 H LYS A 11 2.807 8.446 1.900 1.00 0.00 H new ATOM 0 HA LYS A 11 3.358 7.180 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.935 8.959 3.943 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.401 8.319 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.483 9.717 5.466 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.037 10.345 3.892 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.897 11.987 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.710 10.763 5.408 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.424 10.641 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.118 10.682 7.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.444 12.769 8.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.890 13.060 6.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.249 13.019 7.066 1.00 0.00 H new ATOM 185 N ALA A 12 2.358 5.532 2.722 1.00 0.00 N ATOM 186 CA ALA A 12 1.547 4.414 2.157 1.00 0.00 C ATOM 187 C ALA A 12 1.356 3.304 3.197 1.00 0.00 C ATOM 188 O ALA A 12 2.255 2.983 3.949 1.00 0.00 O ATOM 189 CB ALA A 12 2.361 3.899 0.969 1.00 0.00 C ATOM 0 H ALA A 12 3.367 5.442 2.601 1.00 0.00 H new ATOM 0 HA ALA A 12 0.550 4.741 1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.831 3.072 0.496 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.498 4.703 0.246 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.335 3.554 1.317 1.00 0.00 H new ATOM 195 N THR A 13 0.193 2.711 3.237 1.00 0.00 N ATOM 196 CA THR A 13 -0.057 1.613 4.218 1.00 0.00 C ATOM 197 C THR A 13 -0.081 0.267 3.491 1.00 0.00 C ATOM 198 O THR A 13 -1.073 -0.115 2.901 1.00 0.00 O ATOM 199 CB THR A 13 -1.430 1.925 4.822 1.00 0.00 C ATOM 200 OG1 THR A 13 -1.655 3.327 4.782 1.00 0.00 O ATOM 201 CG2 THR A 13 -1.471 1.440 6.272 1.00 0.00 C ATOM 0 H THR A 13 -0.596 2.939 2.632 1.00 0.00 H new ATOM 0 HA THR A 13 0.716 1.552 4.984 1.00 0.00 H new ATOM 0 HB THR A 13 -2.205 1.417 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.534 3.528 5.166 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.448 1.662 6.702 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.297 0.364 6.301 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.697 1.948 6.848 1.00 0.00 H new ATOM 209 N VAL A 14 1.007 -0.452 3.521 1.00 0.00 N ATOM 210 CA VAL A 14 1.047 -1.768 2.822 1.00 0.00 C ATOM 211 C VAL A 14 1.038 -2.913 3.837 1.00 0.00 C ATOM 212 O VAL A 14 0.888 -2.702 5.025 1.00 0.00 O ATOM 213 CB VAL A 14 2.360 -1.758 2.040 1.00 0.00 C ATOM 214 CG1 VAL A 14 2.449 -0.482 1.202 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.534 -1.807 3.021 1.00 0.00 C ATOM 0 H VAL A 14 1.868 -0.186 3.998 1.00 0.00 H new ATOM 0 HA VAL A 14 0.183 -1.915 2.174 1.00 0.00 H new ATOM 0 HB VAL A 14 2.397 -2.625 1.381 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.386 -0.477 0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.612 -0.446 0.504 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.412 0.388 1.858 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.472 -1.800 2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.495 -0.939 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.472 -2.717 3.617 1.00 0.00 H new ATOM 225 N VAL A 15 1.198 -4.124 3.379 1.00 0.00 N ATOM 226 CA VAL A 15 1.199 -5.282 4.318 1.00 0.00 C ATOM 227 C VAL A 15 2.404 -6.185 4.045 1.00 0.00 C ATOM 228 O VAL A 15 2.338 -7.101 3.251 1.00 0.00 O ATOM 229 CB VAL A 15 -0.104 -6.025 4.029 1.00 0.00 C ATOM 230 CG1 VAL A 15 -0.221 -7.233 4.958 1.00 0.00 C ATOM 231 CG2 VAL A 15 -1.288 -5.085 4.266 1.00 0.00 C ATOM 0 H VAL A 15 1.328 -4.362 2.396 1.00 0.00 H new ATOM 0 HA VAL A 15 1.268 -4.969 5.360 1.00 0.00 H new ATOM 0 HB VAL A 15 -0.107 -6.363 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.151 -7.762 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.623 -7.903 4.792 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -0.218 -6.896 5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.219 -5.613 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.283 -4.748 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.206 -4.223 3.604 1.00 0.00 H new ATOM 241 N TYR A 16 3.504 -5.934 4.701 1.00 0.00 N ATOM 242 CA TYR A 16 4.712 -6.781 4.480 1.00 0.00 C ATOM 243 C TYR A 16 4.765 -7.898 5.526 1.00 0.00 C ATOM 244 O TYR A 16 4.346 -7.725 6.653 1.00 0.00 O ATOM 245 CB TYR A 16 5.898 -5.829 4.643 1.00 0.00 C ATOM 246 CG TYR A 16 7.180 -6.540 4.273 1.00 0.00 C ATOM 247 CD1 TYR A 16 7.191 -7.475 3.230 1.00 0.00 C ATOM 248 CD2 TYR A 16 8.359 -6.261 4.974 1.00 0.00 C ATOM 249 CE1 TYR A 16 8.380 -8.129 2.889 1.00 0.00 C ATOM 250 CE2 TYR A 16 9.549 -6.916 4.632 1.00 0.00 C ATOM 251 CZ TYR A 16 9.560 -7.849 3.589 1.00 0.00 C ATOM 252 OH TYR A 16 10.732 -8.494 3.252 1.00 0.00 O ATOM 0 H TYR A 16 3.619 -5.181 5.379 1.00 0.00 H new ATOM 0 HA TYR A 16 4.712 -7.262 3.502 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.762 -4.952 4.010 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.952 -5.474 5.672 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.282 -7.691 2.689 1.00 0.00 H new ATOM 0 HD2 TYR A 16 8.351 -5.541 5.779 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.388 -8.850 2.085 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.458 -6.701 5.173 1.00 0.00 H new ATOM 0 HH TYR A 16 11.456 -8.183 3.835 1.00 0.00 H new ATOM 262 N GLN A 17 5.274 -9.042 5.163 1.00 0.00 N ATOM 263 CA GLN A 17 5.348 -10.164 6.140 1.00 0.00 C ATOM 264 C GLN A 17 3.995 -10.343 6.834 1.00 0.00 C ATOM 265 O GLN A 17 3.923 -10.684 7.998 1.00 0.00 O ATOM 266 CB GLN A 17 6.415 -9.742 7.148 1.00 0.00 C ATOM 267 CG GLN A 17 7.804 -9.968 6.550 1.00 0.00 C ATOM 268 CD GLN A 17 8.286 -11.379 6.892 1.00 0.00 C ATOM 269 OE1 GLN A 17 7.956 -11.908 7.934 1.00 0.00 O ATOM 270 NE2 GLN A 17 9.060 -12.012 6.054 1.00 0.00 N ATOM 0 H GLN A 17 5.641 -9.249 4.234 1.00 0.00 H new ATOM 0 HA GLN A 17 5.592 -11.114 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 17 6.287 -8.692 7.410 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.307 -10.315 8.069 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.771 -9.836 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.504 -9.229 6.940 1.00 0.00 H new ATOM 0 HE21 GLN A 17 9.337 -11.567 5.179 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.389 -12.952 6.274 1.00 0.00 H new ATOM 279 N GLY A 18 2.921 -10.112 6.128 1.00 0.00 N ATOM 280 CA GLY A 18 1.575 -10.266 6.748 1.00 0.00 C ATOM 281 C GLY A 18 1.421 -9.258 7.887 1.00 0.00 C ATOM 282 O GLY A 18 0.773 -9.521 8.880 1.00 0.00 O ATOM 0 H GLY A 18 2.918 -9.824 5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 18 0.798 -10.108 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.451 -11.281 7.127 1.00 0.00 H new ATOM 286 N GLU A 19 2.015 -8.102 7.752 1.00 0.00 N ATOM 287 CA GLU A 19 1.904 -7.077 8.830 1.00 0.00 C ATOM 288 C GLU A 19 1.637 -5.695 8.225 1.00 0.00 C ATOM 289 O GLU A 19 2.228 -5.316 7.234 1.00 0.00 O ATOM 290 CB GLU A 19 3.263 -7.100 9.534 1.00 0.00 C ATOM 291 CG GLU A 19 3.246 -8.148 10.649 1.00 0.00 C ATOM 292 CD GLU A 19 3.104 -7.452 12.004 1.00 0.00 C ATOM 293 OE1 GLU A 19 2.188 -6.658 12.148 1.00 0.00 O ATOM 294 OE2 GLU A 19 3.913 -7.724 12.876 1.00 0.00 O ATOM 0 H GLU A 19 2.571 -7.824 6.943 1.00 0.00 H new ATOM 0 HA GLU A 19 1.083 -7.285 9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.051 -7.330 8.817 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.486 -6.117 9.949 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.420 -8.842 10.497 1.00 0.00 H new ATOM 0 HG3 GLU A 19 4.164 -8.735 10.625 1.00 0.00 H new ATOM 301 N ARG A 20 0.752 -4.939 8.818 1.00 0.00 N ATOM 302 CA ARG A 20 0.451 -3.579 8.282 1.00 0.00 C ATOM 303 C ARG A 20 1.526 -2.588 8.735 1.00 0.00 C ATOM 304 O ARG A 20 1.909 -2.564 9.888 1.00 0.00 O ATOM 305 CB ARG A 20 -0.906 -3.210 8.879 1.00 0.00 C ATOM 306 CG ARG A 20 -1.956 -4.230 8.435 1.00 0.00 C ATOM 307 CD ARG A 20 -2.804 -4.649 9.638 1.00 0.00 C ATOM 308 NE ARG A 20 -3.022 -6.112 9.466 1.00 0.00 N ATOM 309 CZ ARG A 20 -4.221 -6.568 9.224 1.00 0.00 C ATOM 310 NH1 ARG A 20 -5.140 -6.514 10.148 1.00 0.00 N ATOM 311 NH2 ARG A 20 -4.501 -7.077 8.055 1.00 0.00 N ATOM 0 H ARG A 20 0.225 -5.204 9.650 1.00 0.00 H new ATOM 0 HA ARG A 20 0.435 -3.556 7.192 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.842 -3.189 9.967 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.197 -2.210 8.557 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.592 -3.800 7.661 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -1.469 -5.102 7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.292 -4.434 10.576 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.751 -4.109 9.661 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.235 -6.757 9.537 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.922 -6.115 11.061 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.076 -6.871 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.783 -7.118 7.332 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.438 -7.434 7.865 1.00 0.00 H new ATOM 325 N VAL A 21 2.016 -1.772 7.841 1.00 0.00 N ATOM 326 CA VAL A 21 3.069 -0.790 8.230 1.00 0.00 C ATOM 327 C VAL A 21 3.142 0.347 7.209 1.00 0.00 C ATOM 328 O VAL A 21 2.865 0.164 6.039 1.00 0.00 O ATOM 329 CB VAL A 21 4.376 -1.587 8.237 1.00 0.00 C ATOM 330 CG1 VAL A 21 4.441 -2.457 9.493 1.00 0.00 C ATOM 331 CG2 VAL A 21 4.437 -2.480 6.995 1.00 0.00 C ATOM 0 H VAL A 21 1.734 -1.743 6.861 1.00 0.00 H new ATOM 0 HA VAL A 21 2.864 -0.333 9.198 1.00 0.00 H new ATOM 0 HB VAL A 21 5.219 -0.897 8.231 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.372 -3.023 9.496 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.400 -1.822 10.378 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.597 -3.147 9.502 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.368 -3.047 7.000 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.592 -3.169 7.000 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.395 -1.861 6.099 1.00 0.00 H new ATOM 341 N LYS A 22 3.520 1.519 7.642 1.00 0.00 N ATOM 342 CA LYS A 22 3.620 2.668 6.697 1.00 0.00 C ATOM 343 C LYS A 22 5.013 2.700 6.062 1.00 0.00 C ATOM 344 O LYS A 22 6.015 2.578 6.738 1.00 0.00 O ATOM 345 CB LYS A 22 3.393 3.910 7.558 1.00 0.00 C ATOM 346 CG LYS A 22 1.894 4.099 7.800 1.00 0.00 C ATOM 347 CD LYS A 22 1.283 4.881 6.636 1.00 0.00 C ATOM 348 CE LYS A 22 -0.057 5.480 7.070 1.00 0.00 C ATOM 349 NZ LYS A 22 0.298 6.716 7.825 1.00 0.00 N ATOM 0 H LYS A 22 3.764 1.731 8.610 1.00 0.00 H new ATOM 0 HA LYS A 22 2.898 2.602 5.883 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.915 3.806 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.805 4.789 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.405 3.129 7.897 1.00 0.00 H new ATOM 0 HG3 LYS A 22 1.731 4.633 8.736 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.962 5.673 6.320 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.139 4.224 5.778 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.684 5.710 6.208 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.617 4.784 7.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.324 6.807 8.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.288 6.658 8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.178 7.545 7.209 1.00 0.00 H new ATOM 363 N ILE A 23 5.083 2.860 4.770 1.00 0.00 N ATOM 364 CA ILE A 23 6.413 2.893 4.094 1.00 0.00 C ATOM 365 C ILE A 23 7.186 4.152 4.501 1.00 0.00 C ATOM 366 O ILE A 23 8.367 4.276 4.247 1.00 0.00 O ATOM 367 CB ILE A 23 6.095 2.910 2.597 1.00 0.00 C ATOM 368 CG1 ILE A 23 7.337 2.494 1.807 1.00 0.00 C ATOM 369 CG2 ILE A 23 5.668 4.319 2.172 1.00 0.00 C ATOM 370 CD1 ILE A 23 7.106 2.757 0.319 1.00 0.00 C ATOM 0 H ILE A 23 4.279 2.969 4.152 1.00 0.00 H new ATOM 0 HA ILE A 23 7.037 2.042 4.366 1.00 0.00 H new ATOM 0 HB ILE A 23 5.282 2.212 2.395 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.206 3.052 2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.549 1.438 1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.443 4.325 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.781 4.615 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.476 5.021 2.376 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.991 2.461 -0.244 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.247 2.179 -0.024 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.915 3.819 0.163 1.00 0.00 H new ATOM 382 N GLN A 24 6.525 5.086 5.127 1.00 0.00 N ATOM 383 CA GLN A 24 7.220 6.338 5.545 1.00 0.00 C ATOM 384 C GLN A 24 8.251 6.037 6.640 1.00 0.00 C ATOM 385 O GLN A 24 9.236 6.732 6.785 1.00 0.00 O ATOM 386 CB GLN A 24 6.109 7.250 6.077 1.00 0.00 C ATOM 387 CG GLN A 24 5.707 6.813 7.488 1.00 0.00 C ATOM 388 CD GLN A 24 4.655 7.777 8.040 1.00 0.00 C ATOM 389 OE1 GLN A 24 4.919 8.516 8.969 1.00 0.00 O ATOM 390 NE2 GLN A 24 3.466 7.802 7.505 1.00 0.00 N ATOM 0 H GLN A 24 5.535 5.038 5.367 1.00 0.00 H new ATOM 0 HA GLN A 24 7.766 6.802 4.723 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.452 8.285 6.091 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.245 7.209 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.310 5.798 7.467 1.00 0.00 H new ATOM 0 HG3 GLN A 24 6.581 6.800 8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.244 7.182 6.726 1.00 0.00 H new ATOM 0 HE22 GLN A 24 2.758 8.441 7.866 1.00 0.00 H new ATOM 399 N GLU A 25 8.031 5.006 7.410 1.00 0.00 N ATOM 400 CA GLU A 25 9.000 4.667 8.492 1.00 0.00 C ATOM 401 C GLU A 25 9.626 3.293 8.233 1.00 0.00 C ATOM 402 O GLU A 25 10.832 3.142 8.221 1.00 0.00 O ATOM 403 CB GLU A 25 8.170 4.645 9.775 1.00 0.00 C ATOM 404 CG GLU A 25 7.928 6.079 10.252 1.00 0.00 C ATOM 405 CD GLU A 25 8.568 6.273 11.628 1.00 0.00 C ATOM 406 OE1 GLU A 25 8.821 5.278 12.288 1.00 0.00 O ATOM 407 OE2 GLU A 25 8.796 7.413 11.998 1.00 0.00 O ATOM 0 H GLU A 25 7.225 4.385 7.337 1.00 0.00 H new ATOM 0 HA GLU A 25 9.820 5.383 8.550 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.218 4.145 9.596 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.689 4.077 10.547 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.351 6.787 9.539 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.858 6.280 10.305 1.00 0.00 H new ATOM 414 N LYS A 26 8.816 2.290 8.029 1.00 0.00 N ATOM 415 CA LYS A 26 9.363 0.926 7.773 1.00 0.00 C ATOM 416 C LYS A 26 10.334 0.954 6.590 1.00 0.00 C ATOM 417 O LYS A 26 11.198 0.110 6.463 1.00 0.00 O ATOM 418 CB LYS A 26 8.144 0.066 7.446 1.00 0.00 C ATOM 419 CG LYS A 26 8.596 -1.364 7.140 1.00 0.00 C ATOM 420 CD LYS A 26 8.212 -2.281 8.304 1.00 0.00 C ATOM 421 CE LYS A 26 8.823 -3.666 8.085 1.00 0.00 C ATOM 422 NZ LYS A 26 10.296 -3.445 8.104 1.00 0.00 N ATOM 0 H LYS A 26 7.798 2.356 8.028 1.00 0.00 H new ATOM 0 HA LYS A 26 9.919 0.539 8.627 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.449 0.067 8.286 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.611 0.481 6.591 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.131 -1.714 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.674 -1.390 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.567 -1.860 9.245 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.127 -2.358 8.378 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.518 -4.360 8.868 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.500 -4.094 7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.766 -4.271 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.640 -3.312 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.513 -2.598 8.667 1.00 0.00 H new ATOM 436 N PHE A 27 10.200 1.920 5.724 1.00 0.00 N ATOM 437 CA PHE A 27 11.117 2.004 4.552 1.00 0.00 C ATOM 438 C PHE A 27 11.621 3.439 4.387 1.00 0.00 C ATOM 439 O PHE A 27 11.747 3.944 3.289 1.00 0.00 O ATOM 440 CB PHE A 27 10.267 1.587 3.351 1.00 0.00 C ATOM 441 CG PHE A 27 9.995 0.103 3.416 1.00 0.00 C ATOM 442 CD1 PHE A 27 11.062 -0.805 3.417 1.00 0.00 C ATOM 443 CD2 PHE A 27 8.678 -0.365 3.477 1.00 0.00 C ATOM 444 CE1 PHE A 27 10.808 -2.180 3.477 1.00 0.00 C ATOM 445 CE2 PHE A 27 8.425 -1.740 3.537 1.00 0.00 C ATOM 446 CZ PHE A 27 9.490 -2.648 3.538 1.00 0.00 C ATOM 0 H PHE A 27 9.495 2.655 5.777 1.00 0.00 H new ATOM 0 HA PHE A 27 11.995 1.368 4.664 1.00 0.00 H new ATOM 0 HB2 PHE A 27 9.328 2.140 3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 27 10.784 1.832 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 27 12.079 -0.444 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.856 0.335 3.478 1.00 0.00 H new ATOM 0 HE1 PHE A 27 11.630 -2.881 3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.408 -2.100 3.583 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.295 -3.709 3.586 1.00 0.00 H new ATOM 456 N LYS A 28 11.905 4.102 5.476 1.00 0.00 N ATOM 457 CA LYS A 28 12.396 5.508 5.396 1.00 0.00 C ATOM 458 C LYS A 28 13.400 5.667 4.250 1.00 0.00 C ATOM 459 O LYS A 28 13.489 6.711 3.634 1.00 0.00 O ATOM 460 CB LYS A 28 13.078 5.763 6.741 1.00 0.00 C ATOM 461 CG LYS A 28 12.991 7.251 7.085 1.00 0.00 C ATOM 462 CD LYS A 28 11.667 7.533 7.797 1.00 0.00 C ATOM 463 CE LYS A 28 11.913 8.471 8.982 1.00 0.00 C ATOM 464 NZ LYS A 28 10.734 8.284 9.872 1.00 0.00 N ATOM 0 H LYS A 28 11.818 3.729 6.421 1.00 0.00 H new ATOM 0 HA LYS A 28 11.587 6.212 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.600 5.170 7.521 1.00 0.00 H new ATOM 0 HB3 LYS A 28 14.121 5.450 6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.827 7.537 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.063 7.850 6.177 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.958 7.985 7.103 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.223 6.600 8.144 1.00 0.00 H new ATOM 0 HE2 LYS A 28 12.840 8.221 9.497 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.000 9.507 8.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.830 8.895 10.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.867 8.536 9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.681 7.290 10.174 1.00 0.00 H new ATOM 478 N ASN A 29 14.163 4.648 3.961 1.00 0.00 N ATOM 479 CA ASN A 29 15.161 4.759 2.858 1.00 0.00 C ATOM 480 C ASN A 29 14.802 3.817 1.707 1.00 0.00 C ATOM 481 O ASN A 29 15.656 3.183 1.121 1.00 0.00 O ATOM 482 CB ASN A 29 16.495 4.354 3.486 1.00 0.00 C ATOM 483 CG ASN A 29 17.103 5.555 4.211 1.00 0.00 C ATOM 484 OD1 ASN A 29 17.543 6.499 3.583 1.00 0.00 O ATOM 485 ND2 ASN A 29 17.145 5.564 5.515 1.00 0.00 N ATOM 0 H ASN A 29 14.139 3.747 4.438 1.00 0.00 H new ATOM 0 HA ASN A 29 15.194 5.765 2.439 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.345 3.531 4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.178 3.997 2.715 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.547 6.362 6.007 1.00 0.00 H new ATOM 0 HD22 ASN A 29 16.776 4.773 6.043 1.00 0.00 H new ATOM 492 N GLY A 30 13.545 3.726 1.370 1.00 0.00 N ATOM 493 CA GLY A 30 13.138 2.832 0.250 1.00 0.00 C ATOM 494 C GLY A 30 12.900 1.415 0.773 1.00 0.00 C ATOM 495 O GLY A 30 12.969 1.157 1.957 1.00 0.00 O ATOM 0 H GLY A 30 12.783 4.232 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.231 3.213 -0.219 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.912 2.820 -0.517 1.00 0.00 H new ATOM 499 N MET A 31 12.618 0.494 -0.109 1.00 0.00 N ATOM 500 CA MET A 31 12.372 -0.910 0.326 1.00 0.00 C ATOM 501 C MET A 31 13.520 -1.815 -0.132 1.00 0.00 C ATOM 502 O MET A 31 14.477 -1.363 -0.729 1.00 0.00 O ATOM 503 CB MET A 31 11.066 -1.311 -0.362 1.00 0.00 C ATOM 504 CG MET A 31 9.921 -0.455 0.181 1.00 0.00 C ATOM 505 SD MET A 31 8.490 -1.506 0.528 1.00 0.00 S ATOM 506 CE MET A 31 7.274 -0.546 -0.408 1.00 0.00 C ATOM 0 H MET A 31 12.547 0.654 -1.114 1.00 0.00 H new ATOM 0 HA MET A 31 12.309 -1.003 1.410 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.154 -1.178 -1.440 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.860 -2.367 -0.187 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.236 0.059 1.089 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.653 0.314 -0.544 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.533 -0.131 0.276 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.777 0.266 -0.933 1.00 0.00 H new ATOM 0 HE3 MET A 31 6.778 -1.193 -1.131 1.00 0.00 H new ATOM 516 N LEU A 32 13.433 -3.088 0.142 1.00 0.00 N ATOM 517 CA LEU A 32 14.521 -4.018 -0.280 1.00 0.00 C ATOM 518 C LEU A 32 14.240 -4.559 -1.685 1.00 0.00 C ATOM 519 O LEU A 32 13.118 -4.550 -2.150 1.00 0.00 O ATOM 520 CB LEU A 32 14.493 -5.151 0.745 1.00 0.00 C ATOM 521 CG LEU A 32 15.217 -4.707 2.017 1.00 0.00 C ATOM 522 CD1 LEU A 32 14.451 -5.210 3.243 1.00 0.00 C ATOM 523 CD2 LEU A 32 16.631 -5.292 2.027 1.00 0.00 C ATOM 0 H LEU A 32 12.657 -3.525 0.639 1.00 0.00 H new ATOM 0 HA LEU A 32 15.493 -3.526 -0.318 1.00 0.00 H new ATOM 0 HB2 LEU A 32 13.463 -5.421 0.976 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.971 -6.040 0.333 1.00 0.00 H new ATOM 0 HG LEU A 32 15.271 -3.619 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 32 14.967 -4.894 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.442 -4.797 3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 32 14.397 -6.298 3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 32 17.149 -4.977 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.575 -6.380 2.001 1.00 0.00 H new ATOM 0 HD23 LEU A 32 17.178 -4.936 1.154 1.00 0.00 H new ATOM 535 N HIS A 33 15.250 -5.030 -2.362 1.00 0.00 N ATOM 536 CA HIS A 33 15.039 -5.574 -3.734 1.00 0.00 C ATOM 537 C HIS A 33 14.265 -6.893 -3.661 1.00 0.00 C ATOM 538 O HIS A 33 14.558 -7.750 -2.852 1.00 0.00 O ATOM 539 CB HIS A 33 16.448 -5.796 -4.290 1.00 0.00 C ATOM 540 CG HIS A 33 16.392 -6.731 -5.469 1.00 0.00 C ATOM 541 ND1 HIS A 33 15.514 -6.540 -6.524 1.00 0.00 N ATOM 542 CD2 HIS A 33 17.104 -7.864 -5.774 1.00 0.00 C ATOM 543 CE1 HIS A 33 15.717 -7.537 -7.406 1.00 0.00 C ATOM 544 NE2 HIS A 33 16.676 -8.372 -6.997 1.00 0.00 N ATOM 0 H HIS A 33 16.212 -5.062 -2.025 1.00 0.00 H new ATOM 0 HA HIS A 33 14.457 -4.903 -4.366 1.00 0.00 H new ATOM 0 HB2 HIS A 33 16.884 -4.843 -4.591 1.00 0.00 H new ATOM 0 HB3 HIS A 33 17.093 -6.211 -3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 33 17.879 -8.296 -5.158 1.00 0.00 H new ATOM 0 HE1 HIS A 33 15.171 -7.648 -8.331 1.00 0.00 H new ATOM 0 HE2 HIS A 33 17.021 -9.203 -7.478 1.00 0.00 H new ATOM 552 N GLY A 34 13.279 -7.060 -4.498 1.00 0.00 N ATOM 553 CA GLY A 34 12.487 -8.322 -4.471 1.00 0.00 C ATOM 554 C GLY A 34 11.523 -8.301 -3.282 1.00 0.00 C ATOM 555 O GLY A 34 10.768 -9.229 -3.067 1.00 0.00 O ATOM 0 H GLY A 34 12.987 -6.378 -5.199 1.00 0.00 H new ATOM 0 HA2 GLY A 34 11.930 -8.433 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.155 -9.180 -4.395 1.00 0.00 H new ATOM 559 N ASP A 35 11.541 -7.251 -2.504 1.00 0.00 N ATOM 560 CA ASP A 35 10.625 -7.176 -1.329 1.00 0.00 C ATOM 561 C ASP A 35 9.166 -7.285 -1.782 1.00 0.00 C ATOM 562 O ASP A 35 8.727 -6.575 -2.665 1.00 0.00 O ATOM 563 CB ASP A 35 10.891 -5.806 -0.704 1.00 0.00 C ATOM 564 CG ASP A 35 10.139 -5.695 0.624 1.00 0.00 C ATOM 565 OD1 ASP A 35 9.611 -6.701 1.068 1.00 0.00 O ATOM 566 OD2 ASP A 35 10.102 -4.606 1.172 1.00 0.00 O ATOM 0 H ASP A 35 12.150 -6.443 -2.632 1.00 0.00 H new ATOM 0 HA ASP A 35 10.797 -7.988 -0.622 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.960 -5.671 -0.541 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.570 -5.016 -1.383 1.00 0.00 H new ATOM 571 N LYS A 36 8.412 -8.169 -1.188 1.00 0.00 N ATOM 572 CA LYS A 36 6.983 -8.320 -1.589 1.00 0.00 C ATOM 573 C LYS A 36 6.072 -7.585 -0.603 1.00 0.00 C ATOM 574 O LYS A 36 6.139 -7.791 0.593 1.00 0.00 O ATOM 575 CB LYS A 36 6.716 -9.823 -1.540 1.00 0.00 C ATOM 576 CG LYS A 36 7.068 -10.451 -2.889 1.00 0.00 C ATOM 577 CD LYS A 36 5.806 -11.040 -3.524 1.00 0.00 C ATOM 578 CE LYS A 36 5.215 -12.102 -2.595 1.00 0.00 C ATOM 579 NZ LYS A 36 5.847 -13.380 -3.024 1.00 0.00 N ATOM 0 H LYS A 36 8.722 -8.793 -0.443 1.00 0.00 H new ATOM 0 HA LYS A 36 6.787 -7.900 -2.575 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.308 -10.282 -0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.668 -10.009 -1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 36 7.503 -9.700 -3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.818 -11.231 -2.754 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.075 -10.252 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.045 -11.481 -4.492 1.00 0.00 H new ATOM 0 HE2 LYS A 36 5.438 -11.882 -1.551 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.130 -12.147 -2.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 5.492 -14.158 -2.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.612 -13.566 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.879 -13.309 -2.919 1.00 0.00 H new ATOM 593 N VAL A 37 5.221 -6.731 -1.098 1.00 0.00 N ATOM 594 CA VAL A 37 4.301 -5.981 -0.193 1.00 0.00 C ATOM 595 C VAL A 37 2.912 -5.871 -0.830 1.00 0.00 C ATOM 596 O VAL A 37 2.781 -5.677 -2.021 1.00 0.00 O ATOM 597 CB VAL A 37 4.942 -4.601 -0.036 1.00 0.00 C ATOM 598 CG1 VAL A 37 4.686 -3.761 -1.291 1.00 0.00 C ATOM 599 CG2 VAL A 37 4.336 -3.898 1.178 1.00 0.00 C ATOM 0 H VAL A 37 5.121 -6.518 -2.091 1.00 0.00 H new ATOM 0 HA VAL A 37 4.166 -6.475 0.769 1.00 0.00 H new ATOM 0 HB VAL A 37 6.017 -4.717 0.103 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.145 -2.780 -1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.118 -4.261 -2.158 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.612 -3.644 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.791 -2.914 1.293 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.261 -3.787 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.523 -4.491 2.073 1.00 0.00 H new ATOM 609 N SER A 38 1.874 -6.001 -0.050 1.00 0.00 N ATOM 610 CA SER A 38 0.499 -5.912 -0.625 1.00 0.00 C ATOM 611 C SER A 38 -0.162 -4.580 -0.259 1.00 0.00 C ATOM 612 O SER A 38 0.091 -4.012 0.785 1.00 0.00 O ATOM 613 CB SER A 38 -0.266 -7.073 0.005 1.00 0.00 C ATOM 614 OG SER A 38 0.649 -8.103 0.357 1.00 0.00 O ATOM 0 H SER A 38 1.916 -6.164 0.956 1.00 0.00 H new ATOM 0 HA SER A 38 0.511 -5.964 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.805 -6.732 0.889 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.010 -7.455 -0.694 1.00 0.00 H new ATOM 0 HG SER A 38 0.161 -8.849 0.763 1.00 0.00 H new ATOM 620 N PHE A 39 -1.018 -4.083 -1.113 1.00 0.00 N ATOM 621 CA PHE A 39 -1.713 -2.795 -0.822 1.00 0.00 C ATOM 622 C PHE A 39 -3.163 -3.071 -0.414 1.00 0.00 C ATOM 623 O PHE A 39 -3.770 -4.021 -0.862 1.00 0.00 O ATOM 624 CB PHE A 39 -1.666 -2.011 -2.134 1.00 0.00 C ATOM 625 CG PHE A 39 -0.307 -1.374 -2.290 1.00 0.00 C ATOM 626 CD1 PHE A 39 0.821 -2.178 -2.493 1.00 0.00 C ATOM 627 CD2 PHE A 39 -0.175 0.018 -2.236 1.00 0.00 C ATOM 628 CE1 PHE A 39 2.082 -1.589 -2.639 1.00 0.00 C ATOM 629 CE2 PHE A 39 1.086 0.608 -2.381 1.00 0.00 C ATOM 630 CZ PHE A 39 2.215 -0.197 -2.583 1.00 0.00 C ATOM 0 H PHE A 39 -1.266 -4.516 -2.003 1.00 0.00 H new ATOM 0 HA PHE A 39 -1.246 -2.244 -0.006 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.867 -2.675 -2.975 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.442 -1.245 -2.141 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.718 -3.252 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.046 0.637 -2.082 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.953 -2.209 -2.795 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.189 1.682 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.188 0.257 -2.696 1.00 0.00 H new ATOM 640 N PHE A 40 -3.726 -2.260 0.439 1.00 0.00 N ATOM 641 CA PHE A 40 -5.132 -2.508 0.866 1.00 0.00 C ATOM 642 C PHE A 40 -6.122 -1.954 -0.161 1.00 0.00 C ATOM 643 O PHE A 40 -6.016 -0.826 -0.599 1.00 0.00 O ATOM 644 CB PHE A 40 -5.287 -1.772 2.195 1.00 0.00 C ATOM 645 CG PHE A 40 -4.892 -2.690 3.326 1.00 0.00 C ATOM 646 CD1 PHE A 40 -5.627 -3.857 3.567 1.00 0.00 C ATOM 647 CD2 PHE A 40 -3.793 -2.377 4.132 1.00 0.00 C ATOM 648 CE1 PHE A 40 -5.263 -4.710 4.615 1.00 0.00 C ATOM 649 CE2 PHE A 40 -3.426 -3.229 5.180 1.00 0.00 C ATOM 650 CZ PHE A 40 -4.162 -4.396 5.422 1.00 0.00 C ATOM 0 H PHE A 40 -3.278 -1.444 0.856 1.00 0.00 H new ATOM 0 HA PHE A 40 -5.338 -3.574 0.958 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -4.663 -0.878 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -6.318 -1.443 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -6.475 -4.099 2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.227 -1.477 3.946 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -5.831 -5.610 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -2.576 -2.987 5.801 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.880 -5.054 6.231 1.00 0.00 H new ATOM 660 N CYS A 41 -7.093 -2.740 -0.536 1.00 0.00 N ATOM 661 CA CYS A 41 -8.105 -2.265 -1.521 1.00 0.00 C ATOM 662 C CYS A 41 -9.500 -2.718 -1.082 1.00 0.00 C ATOM 663 O CYS A 41 -9.648 -3.471 -0.140 1.00 0.00 O ATOM 664 CB CYS A 41 -7.717 -2.923 -2.844 1.00 0.00 C ATOM 665 SG CYS A 41 -7.967 -1.748 -4.196 1.00 0.00 S ATOM 0 H CYS A 41 -7.230 -3.694 -0.202 1.00 0.00 H new ATOM 0 HA CYS A 41 -8.128 -1.179 -1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.675 -3.242 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.319 -3.817 -3.008 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.635 -2.306 -5.322 1.00 0.00 H new ATOM 670 N LYS A 42 -10.524 -2.267 -1.751 1.00 0.00 N ATOM 671 CA LYS A 42 -11.903 -2.678 -1.361 1.00 0.00 C ATOM 672 C LYS A 42 -12.601 -3.378 -2.527 1.00 0.00 C ATOM 673 O LYS A 42 -12.325 -3.116 -3.680 1.00 0.00 O ATOM 674 CB LYS A 42 -12.624 -1.379 -1.004 1.00 0.00 C ATOM 675 CG LYS A 42 -12.593 -0.425 -2.200 1.00 0.00 C ATOM 676 CD LYS A 42 -13.298 0.880 -1.828 1.00 0.00 C ATOM 677 CE LYS A 42 -12.255 1.980 -1.604 1.00 0.00 C ATOM 678 NZ LYS A 42 -12.997 3.265 -1.763 1.00 0.00 N ATOM 0 H LYS A 42 -10.467 -1.634 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 42 -11.899 -3.381 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.655 -1.590 -0.722 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.147 -0.912 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.562 -0.224 -2.492 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.084 -0.884 -3.058 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.986 1.173 -2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.893 0.740 -0.926 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.809 1.903 -0.612 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.442 1.904 -2.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.344 4.062 -1.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.404 3.315 -2.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.760 3.315 -1.058 1.00 0.00 H new ATOM 692 N ASN A 43 -13.503 -4.270 -2.229 1.00 0.00 N ATOM 693 CA ASN A 43 -14.225 -4.996 -3.314 1.00 0.00 C ATOM 694 C ASN A 43 -15.700 -4.586 -3.334 1.00 0.00 C ATOM 695 O ASN A 43 -16.498 -5.065 -2.554 1.00 0.00 O ATOM 696 CB ASN A 43 -14.082 -6.477 -2.963 1.00 0.00 C ATOM 697 CG ASN A 43 -14.218 -7.318 -4.234 1.00 0.00 C ATOM 698 OD1 ASN A 43 -15.312 -7.663 -4.633 1.00 0.00 O ATOM 699 ND2 ASN A 43 -13.145 -7.664 -4.891 1.00 0.00 N ATOM 0 H ASN A 43 -13.773 -4.529 -1.280 1.00 0.00 H new ATOM 0 HA ASN A 43 -13.821 -4.772 -4.301 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -13.114 -6.659 -2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -14.845 -6.766 -2.240 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -13.225 -8.224 -5.740 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.226 -7.374 -4.556 1.00 0.00 H new ATOM 706 N LYS A 44 -16.065 -3.700 -4.220 1.00 0.00 N ATOM 707 CA LYS A 44 -17.488 -3.258 -4.291 1.00 0.00 C ATOM 708 C LYS A 44 -18.409 -4.461 -4.513 1.00 0.00 C ATOM 709 O LYS A 44 -19.537 -4.481 -4.062 1.00 0.00 O ATOM 710 CB LYS A 44 -17.545 -2.309 -5.489 1.00 0.00 C ATOM 711 CG LYS A 44 -18.274 -1.025 -5.090 1.00 0.00 C ATOM 712 CD LYS A 44 -17.251 0.050 -4.721 1.00 0.00 C ATOM 713 CE LYS A 44 -17.979 1.343 -4.347 1.00 0.00 C ATOM 714 NZ LYS A 44 -17.133 1.970 -3.293 1.00 0.00 N ATOM 0 H LYS A 44 -15.440 -3.263 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 44 -17.817 -2.776 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -16.536 -2.076 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.060 -2.788 -6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -18.900 -0.679 -5.913 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -18.936 -1.217 -4.245 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -16.637 -0.289 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -16.578 0.229 -5.559 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -18.086 2.000 -5.210 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -18.983 1.138 -3.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.568 2.863 -2.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.055 1.325 -2.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.185 2.160 -3.676 1.00 0.00 H new ATOM 728 N GLU A 45 -17.940 -5.464 -5.205 1.00 0.00 N ATOM 729 CA GLU A 45 -18.795 -6.661 -5.455 1.00 0.00 C ATOM 730 C GLU A 45 -19.043 -7.421 -4.148 1.00 0.00 C ATOM 731 O GLU A 45 -20.170 -7.619 -3.740 1.00 0.00 O ATOM 732 CB GLU A 45 -17.993 -7.523 -6.432 1.00 0.00 C ATOM 733 CG GLU A 45 -18.838 -8.723 -6.865 1.00 0.00 C ATOM 734 CD GLU A 45 -19.329 -8.512 -8.299 1.00 0.00 C ATOM 735 OE1 GLU A 45 -19.763 -7.413 -8.601 1.00 0.00 O ATOM 736 OE2 GLU A 45 -19.262 -9.455 -9.071 1.00 0.00 O ATOM 0 H GLU A 45 -17.004 -5.507 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 45 -19.773 -6.392 -5.854 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -17.706 -6.934 -7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -17.072 -7.865 -5.961 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.249 -9.638 -6.802 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.687 -8.844 -6.193 1.00 0.00 H new ATOM 743 N LYS A 46 -18.001 -7.849 -3.489 1.00 0.00 N ATOM 744 CA LYS A 46 -18.182 -8.596 -2.211 1.00 0.00 C ATOM 745 C LYS A 46 -18.328 -7.619 -1.041 1.00 0.00 C ATOM 746 O LYS A 46 -18.631 -8.006 0.069 1.00 0.00 O ATOM 747 CB LYS A 46 -16.912 -9.433 -2.056 1.00 0.00 C ATOM 748 CG LYS A 46 -16.714 -10.298 -3.303 1.00 0.00 C ATOM 749 CD LYS A 46 -15.219 -10.440 -3.595 1.00 0.00 C ATOM 750 CE LYS A 46 -14.855 -11.923 -3.700 1.00 0.00 C ATOM 751 NZ LYS A 46 -14.516 -12.135 -5.134 1.00 0.00 N ATOM 0 H LYS A 46 -17.033 -7.714 -3.780 1.00 0.00 H new ATOM 0 HA LYS A 46 -19.079 -9.215 -2.220 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -16.050 -8.782 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.986 -10.064 -1.171 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -17.160 -11.281 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -17.220 -9.846 -4.156 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.969 -9.927 -4.524 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.637 -9.967 -2.804 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -14.012 -12.169 -3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -15.687 -12.557 -3.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -14.255 -13.130 -5.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.339 -11.899 -5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -13.716 -11.524 -5.396 1.00 0.00 H new ATOM 765 N LYS A 47 -18.120 -6.354 -1.286 1.00 0.00 N ATOM 766 CA LYS A 47 -18.251 -5.344 -0.194 1.00 0.00 C ATOM 767 C LYS A 47 -17.208 -5.590 0.901 1.00 0.00 C ATOM 768 O LYS A 47 -17.435 -5.306 2.060 1.00 0.00 O ATOM 769 CB LYS A 47 -19.661 -5.535 0.361 1.00 0.00 C ATOM 770 CG LYS A 47 -20.664 -5.622 -0.791 1.00 0.00 C ATOM 771 CD LYS A 47 -21.602 -4.415 -0.745 1.00 0.00 C ATOM 772 CE LYS A 47 -22.760 -4.634 -1.719 1.00 0.00 C ATOM 773 NZ LYS A 47 -23.041 -3.289 -2.293 1.00 0.00 N ATOM 0 H LYS A 47 -17.864 -5.974 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 47 -18.088 -4.330 -0.559 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -19.705 -6.443 0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -19.919 -4.704 1.018 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -20.137 -5.650 -1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -21.239 -6.545 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -21.984 -4.276 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -21.058 -3.508 -1.008 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -22.491 -5.347 -2.498 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -23.635 -5.036 -1.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -23.826 -3.358 -2.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -23.301 -2.633 -1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -22.193 -2.935 -2.779 1.00 0.00 H new ATOM 787 N CYS A 48 -16.063 -6.106 0.543 1.00 0.00 N ATOM 788 CA CYS A 48 -15.005 -6.357 1.569 1.00 0.00 C ATOM 789 C CYS A 48 -13.659 -5.848 1.056 1.00 0.00 C ATOM 790 O CYS A 48 -13.525 -5.469 -0.091 1.00 0.00 O ATOM 791 CB CYS A 48 -14.926 -7.881 1.808 1.00 0.00 C ATOM 792 SG CYS A 48 -16.110 -8.796 0.776 1.00 0.00 S ATOM 0 H CYS A 48 -15.813 -6.364 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 48 -15.245 -5.838 2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -13.915 -8.229 1.595 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -15.122 -8.094 2.859 1.00 0.00 H new ATOM 797 N SER A 49 -12.660 -5.836 1.893 1.00 0.00 N ATOM 798 CA SER A 49 -11.326 -5.350 1.445 1.00 0.00 C ATOM 799 C SER A 49 -10.352 -6.519 1.289 1.00 0.00 C ATOM 800 O SER A 49 -10.608 -7.624 1.724 1.00 0.00 O ATOM 801 CB SER A 49 -10.852 -4.403 2.546 1.00 0.00 C ATOM 802 OG SER A 49 -9.774 -5.000 3.257 1.00 0.00 O ATOM 0 H SER A 49 -12.709 -6.141 2.865 1.00 0.00 H new ATOM 0 HA SER A 49 -11.380 -4.854 0.476 1.00 0.00 H new ATOM 0 HB2 SER A 49 -10.534 -3.455 2.112 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.673 -4.182 3.228 1.00 0.00 H new ATOM 0 HG SER A 49 -9.851 -4.784 4.210 1.00 0.00 H new ATOM 808 N TYR A 50 -9.232 -6.268 0.677 1.00 0.00 N ATOM 809 CA TYR A 50 -8.216 -7.343 0.487 1.00 0.00 C ATOM 810 C TYR A 50 -6.851 -6.709 0.216 1.00 0.00 C ATOM 811 O TYR A 50 -6.716 -5.501 0.194 1.00 0.00 O ATOM 812 CB TYR A 50 -8.696 -8.148 -0.721 1.00 0.00 C ATOM 813 CG TYR A 50 -9.066 -7.212 -1.847 1.00 0.00 C ATOM 814 CD1 TYR A 50 -10.372 -6.720 -1.946 1.00 0.00 C ATOM 815 CD2 TYR A 50 -8.103 -6.840 -2.793 1.00 0.00 C ATOM 816 CE1 TYR A 50 -10.716 -5.855 -2.992 1.00 0.00 C ATOM 817 CE2 TYR A 50 -8.447 -5.975 -3.838 1.00 0.00 C ATOM 818 CZ TYR A 50 -9.754 -5.482 -3.938 1.00 0.00 C ATOM 819 OH TYR A 50 -10.093 -4.629 -4.969 1.00 0.00 O ATOM 0 H TYR A 50 -8.972 -5.358 0.296 1.00 0.00 H new ATOM 0 HA TYR A 50 -8.109 -7.980 1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -7.913 -8.832 -1.048 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -9.557 -8.757 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -11.114 -7.007 -1.216 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -7.095 -7.220 -2.716 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -11.724 -5.475 -3.069 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -7.704 -5.688 -4.568 1.00 0.00 H new ATOM 0 HH TYR A 50 -10.828 -4.047 -4.684 1.00 0.00 H new ATOM 829 N THR A 51 -5.836 -7.501 0.014 1.00 0.00 N ATOM 830 CA THR A 51 -4.493 -6.913 -0.246 1.00 0.00 C ATOM 831 C THR A 51 -4.012 -7.247 -1.659 1.00 0.00 C ATOM 832 O THR A 51 -4.261 -8.315 -2.181 1.00 0.00 O ATOM 833 CB THR A 51 -3.566 -7.546 0.791 1.00 0.00 C ATOM 834 OG1 THR A 51 -3.705 -8.960 0.749 1.00 0.00 O ATOM 835 CG2 THR A 51 -3.931 -7.035 2.185 1.00 0.00 C ATOM 0 H THR A 51 -5.876 -8.520 0.017 1.00 0.00 H new ATOM 0 HA THR A 51 -4.513 -5.826 -0.171 1.00 0.00 H new ATOM 0 HB THR A 51 -2.534 -7.276 0.568 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.110 -9.367 1.412 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.269 -7.487 2.923 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.821 -5.951 2.215 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.963 -7.302 2.412 1.00 0.00 H new ATOM 843 N GLU A 52 -3.309 -6.334 -2.269 1.00 0.00 N ATOM 844 CA GLU A 52 -2.783 -6.577 -3.641 1.00 0.00 C ATOM 845 C GLU A 52 -1.264 -6.746 -3.574 1.00 0.00 C ATOM 846 O GLU A 52 -0.517 -5.791 -3.634 1.00 0.00 O ATOM 847 CB GLU A 52 -3.156 -5.329 -4.442 1.00 0.00 C ATOM 848 CG GLU A 52 -4.493 -5.557 -5.151 1.00 0.00 C ATOM 849 CD GLU A 52 -4.351 -5.204 -6.632 1.00 0.00 C ATOM 850 OE1 GLU A 52 -4.527 -4.044 -6.965 1.00 0.00 O ATOM 851 OE2 GLU A 52 -4.068 -6.101 -7.409 1.00 0.00 O ATOM 0 H GLU A 52 -3.075 -5.424 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.193 -7.477 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.226 -4.466 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.378 -5.107 -5.173 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.802 -6.597 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.269 -4.944 -4.693 1.00 0.00 H new ATOM 858 N ASP A 53 -0.808 -7.957 -3.423 1.00 0.00 N ATOM 859 CA ASP A 53 0.659 -8.200 -3.322 1.00 0.00 C ATOM 860 C ASP A 53 1.430 -7.428 -4.395 1.00 0.00 C ATOM 861 O ASP A 53 0.979 -7.260 -5.511 1.00 0.00 O ATOM 862 CB ASP A 53 0.826 -9.702 -3.528 1.00 0.00 C ATOM 863 CG ASP A 53 -0.074 -10.456 -2.550 1.00 0.00 C ATOM 864 OD1 ASP A 53 -1.275 -10.242 -2.594 1.00 0.00 O ATOM 865 OD2 ASP A 53 0.452 -11.234 -1.771 1.00 0.00 O ATOM 0 H ASP A 53 -1.390 -8.793 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 53 1.053 -7.863 -2.363 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.571 -9.969 -4.553 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.867 -9.987 -3.374 1.00 0.00 H new ATOM 870 N ALA A 54 2.604 -6.973 -4.054 1.00 0.00 N ATOM 871 CA ALA A 54 3.448 -6.222 -5.028 1.00 0.00 C ATOM 872 C ALA A 54 4.889 -6.733 -4.943 1.00 0.00 C ATOM 873 O ALA A 54 5.201 -7.589 -4.138 1.00 0.00 O ATOM 874 CB ALA A 54 3.366 -4.758 -4.589 1.00 0.00 C ATOM 0 H ALA A 54 3.020 -7.091 -3.130 1.00 0.00 H new ATOM 0 HA ALA A 54 3.115 -6.346 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.964 -4.143 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.328 -4.426 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.747 -4.661 -3.572 1.00 0.00 H new ATOM 880 N GLN A 55 5.775 -6.228 -5.758 1.00 0.00 N ATOM 881 CA GLN A 55 7.185 -6.711 -5.698 1.00 0.00 C ATOM 882 C GLN A 55 8.168 -5.551 -5.873 1.00 0.00 C ATOM 883 O GLN A 55 7.913 -4.609 -6.596 1.00 0.00 O ATOM 884 CB GLN A 55 7.314 -7.704 -6.854 1.00 0.00 C ATOM 885 CG GLN A 55 8.553 -8.575 -6.642 1.00 0.00 C ATOM 886 CD GLN A 55 8.639 -9.626 -7.752 1.00 0.00 C ATOM 887 OE1 GLN A 55 9.038 -9.326 -8.859 1.00 0.00 O ATOM 888 NE2 GLN A 55 8.277 -10.854 -7.500 1.00 0.00 N ATOM 0 H GLN A 55 5.587 -5.509 -6.456 1.00 0.00 H new ATOM 0 HA GLN A 55 7.416 -7.168 -4.736 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.423 -8.329 -6.912 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.390 -7.169 -7.800 1.00 0.00 H new ATOM 0 HG2 GLN A 55 9.450 -7.956 -6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 55 8.505 -9.063 -5.668 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.942 -11.106 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.329 -11.562 -8.233 1.00 0.00 H new ATOM 897 N CYS A 56 9.293 -5.620 -5.217 1.00 0.00 N ATOM 898 CA CYS A 56 10.304 -4.536 -5.338 1.00 0.00 C ATOM 899 C CYS A 56 11.403 -4.964 -6.315 1.00 0.00 C ATOM 900 O CYS A 56 11.743 -6.127 -6.407 1.00 0.00 O ATOM 901 CB CYS A 56 10.865 -4.372 -3.927 1.00 0.00 C ATOM 902 SG CYS A 56 10.726 -2.642 -3.416 1.00 0.00 S ATOM 0 H CYS A 56 9.556 -6.387 -4.598 1.00 0.00 H new ATOM 0 HA CYS A 56 9.885 -3.604 -5.718 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.321 -5.012 -3.232 1.00 0.00 H new ATOM 0 HB3 CYS A 56 11.908 -4.687 -3.901 1.00 0.00 H new ATOM 907 N ILE A 57 11.953 -4.040 -7.053 1.00 0.00 N ATOM 908 CA ILE A 57 13.019 -4.404 -8.030 1.00 0.00 C ATOM 909 C ILE A 57 14.210 -3.446 -7.919 1.00 0.00 C ATOM 910 O ILE A 57 14.192 -2.493 -7.166 1.00 0.00 O ATOM 911 CB ILE A 57 12.354 -4.271 -9.400 1.00 0.00 C ATOM 912 CG1 ILE A 57 10.985 -4.955 -9.371 1.00 0.00 C ATOM 913 CG2 ILE A 57 13.230 -4.934 -10.465 1.00 0.00 C ATOM 914 CD1 ILE A 57 11.171 -6.468 -9.233 1.00 0.00 C ATOM 0 H ILE A 57 11.711 -3.050 -7.022 1.00 0.00 H new ATOM 0 HA ILE A 57 13.410 -5.406 -7.853 1.00 0.00 H new ATOM 0 HB ILE A 57 12.230 -3.215 -9.639 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.394 -4.573 -8.538 1.00 0.00 H new ATOM 0 HG13 ILE A 57 10.434 -4.728 -10.284 1.00 0.00 H new ATOM 0 HG21 ILE A 57 12.753 -4.837 -11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.205 -4.448 -10.488 1.00 0.00 H new ATOM 0 HG23 ILE A 57 13.357 -5.990 -10.226 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.196 -6.954 -9.212 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.745 -6.843 -10.080 1.00 0.00 H new ATOM 0 HD13 ILE A 57 11.705 -6.686 -8.308 1.00 0.00 H new ATOM 926 N ASP A 58 15.248 -3.703 -8.667 1.00 0.00 N ATOM 927 CA ASP A 58 16.456 -2.827 -8.621 1.00 0.00 C ATOM 928 C ASP A 58 16.066 -1.345 -8.650 1.00 0.00 C ATOM 929 O ASP A 58 15.812 -0.778 -9.695 1.00 0.00 O ATOM 930 CB ASP A 58 17.246 -3.192 -9.879 1.00 0.00 C ATOM 931 CG ASP A 58 18.737 -2.949 -9.637 1.00 0.00 C ATOM 932 OD1 ASP A 58 19.393 -3.854 -9.147 1.00 0.00 O ATOM 933 OD2 ASP A 58 19.197 -1.862 -9.946 1.00 0.00 O ATOM 0 H ASP A 58 15.312 -4.489 -9.314 1.00 0.00 H new ATOM 0 HA ASP A 58 17.030 -2.975 -7.706 1.00 0.00 H new ATOM 0 HB2 ASP A 58 17.075 -4.237 -10.138 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.902 -2.594 -10.723 1.00 0.00 H new ATOM 938 N GLY A 59 16.031 -0.712 -7.509 1.00 0.00 N ATOM 939 CA GLY A 59 15.677 0.737 -7.455 1.00 0.00 C ATOM 940 C GLY A 59 14.406 1.014 -8.263 1.00 0.00 C ATOM 941 O GLY A 59 14.138 2.139 -8.637 1.00 0.00 O ATOM 0 H GLY A 59 16.234 -1.139 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.529 1.042 -6.419 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.501 1.333 -7.848 1.00 0.00 H new ATOM 945 N THR A 60 13.615 0.013 -8.531 1.00 0.00 N ATOM 946 CA THR A 60 12.363 0.253 -9.307 1.00 0.00 C ATOM 947 C THR A 60 11.218 -0.582 -8.736 1.00 0.00 C ATOM 948 O THR A 60 11.387 -1.734 -8.404 1.00 0.00 O ATOM 949 CB THR A 60 12.680 -0.188 -10.734 1.00 0.00 C ATOM 950 OG1 THR A 60 13.872 0.448 -11.172 1.00 0.00 O ATOM 951 CG2 THR A 60 11.521 0.198 -11.656 1.00 0.00 C ATOM 0 H THR A 60 13.778 -0.954 -8.250 1.00 0.00 H new ATOM 0 HA THR A 60 12.052 1.297 -9.264 1.00 0.00 H new ATOM 0 HB THR A 60 12.817 -1.269 -10.760 1.00 0.00 H new ATOM 0 HG1 THR A 60 14.648 -0.012 -10.789 1.00 0.00 H new ATOM 0 HG21 THR A 60 11.746 -0.116 -12.675 1.00 0.00 H new ATOM 0 HG22 THR A 60 10.608 -0.293 -11.318 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.382 1.279 -11.632 1.00 0.00 H new ATOM 959 N ILE A 61 10.055 -0.011 -8.625 1.00 0.00 N ATOM 960 CA ILE A 61 8.900 -0.778 -8.080 1.00 0.00 C ATOM 961 C ILE A 61 7.611 -0.359 -8.785 1.00 0.00 C ATOM 962 O ILE A 61 7.429 0.788 -9.140 1.00 0.00 O ATOM 963 CB ILE A 61 8.843 -0.423 -6.595 1.00 0.00 C ATOM 964 CG1 ILE A 61 7.524 -0.929 -6.006 1.00 0.00 C ATOM 965 CG2 ILE A 61 8.932 1.094 -6.418 1.00 0.00 C ATOM 966 CD1 ILE A 61 7.800 -1.649 -4.685 1.00 0.00 C ATOM 0 H ILE A 61 9.852 0.953 -8.887 1.00 0.00 H new ATOM 0 HA ILE A 61 9.011 -1.852 -8.232 1.00 0.00 H new ATOM 0 HB ILE A 61 9.681 -0.892 -6.079 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.842 -0.094 -5.842 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.036 -1.606 -6.707 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.891 1.340 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.871 1.455 -6.838 1.00 0.00 H new ATOM 0 HG23 ILE A 61 8.098 1.570 -6.933 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.861 -2.010 -4.264 1.00 0.00 H new ATOM 0 HD12 ILE A 61 8.466 -2.493 -4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.269 -0.958 -3.985 1.00 0.00 H new ATOM 978 N GLU A 62 6.717 -1.283 -8.992 1.00 0.00 N ATOM 979 CA GLU A 62 5.439 -0.942 -9.678 1.00 0.00 C ATOM 980 C GLU A 62 4.271 -1.011 -8.691 1.00 0.00 C ATOM 981 O GLU A 62 3.697 -2.057 -8.465 1.00 0.00 O ATOM 982 CB GLU A 62 5.281 -1.997 -10.772 1.00 0.00 C ATOM 983 CG GLU A 62 4.421 -1.430 -11.903 1.00 0.00 C ATOM 984 CD GLU A 62 3.100 -0.914 -11.330 1.00 0.00 C ATOM 985 OE1 GLU A 62 2.477 -1.644 -10.577 1.00 0.00 O ATOM 986 OE2 GLU A 62 2.732 0.203 -11.653 1.00 0.00 O ATOM 0 H GLU A 62 6.815 -2.260 -8.716 1.00 0.00 H new ATOM 0 HA GLU A 62 5.448 0.069 -10.086 1.00 0.00 H new ATOM 0 HB2 GLU A 62 6.259 -2.289 -11.155 1.00 0.00 H new ATOM 0 HB3 GLU A 62 4.818 -2.895 -10.363 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.951 -0.622 -12.407 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.229 -2.200 -12.650 1.00 0.00 H new ATOM 993 N VAL A 63 3.915 0.098 -8.104 1.00 0.00 N ATOM 994 CA VAL A 63 2.784 0.099 -7.133 1.00 0.00 C ATOM 995 C VAL A 63 1.486 -0.314 -7.841 1.00 0.00 C ATOM 996 O VAL A 63 1.221 0.131 -8.940 1.00 0.00 O ATOM 997 CB VAL A 63 2.691 1.543 -6.644 1.00 0.00 C ATOM 998 CG1 VAL A 63 1.411 1.730 -5.827 1.00 0.00 C ATOM 999 CG2 VAL A 63 3.905 1.863 -5.769 1.00 0.00 C ATOM 0 H VAL A 63 4.358 1.004 -8.255 1.00 0.00 H new ATOM 0 HA VAL A 63 2.937 -0.601 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 63 2.672 2.214 -7.503 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.348 2.761 -5.480 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.546 1.503 -6.450 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.426 1.059 -4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.840 2.893 -5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.924 1.189 -4.912 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.817 1.734 -6.351 1.00 0.00 H new ATOM 1009 N PRO A 64 0.711 -1.153 -7.195 1.00 0.00 N ATOM 1010 CA PRO A 64 -0.567 -1.613 -7.788 1.00 0.00 C ATOM 1011 C PRO A 64 -1.480 -0.420 -8.082 1.00 0.00 C ATOM 1012 O PRO A 64 -1.480 0.565 -7.370 1.00 0.00 O ATOM 1013 CB PRO A 64 -1.150 -2.503 -6.685 1.00 0.00 C ATOM 1014 CG PRO A 64 -0.172 -2.520 -5.494 1.00 0.00 C ATOM 1015 CD PRO A 64 1.059 -1.680 -5.854 1.00 0.00 C ATOM 0 HA PRO A 64 -0.450 -2.134 -8.738 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -2.123 -2.125 -6.370 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.307 -3.515 -7.059 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -0.655 -2.119 -4.603 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.124 -3.543 -5.263 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.227 -0.878 -5.135 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.967 -2.282 -5.878 1.00 0.00 H new ATOM 1272 N ALA A 80 -10.332 1.011 1.700 1.00 0.00 N ATOM 1273 CA ALA A 80 -9.626 -0.283 1.938 1.00 0.00 C ATOM 1274 C ALA A 80 -8.656 -0.162 3.115 1.00 0.00 C ATOM 1275 O ALA A 80 -8.543 -1.053 3.933 1.00 0.00 O ATOM 1276 CB ALA A 80 -8.859 -0.553 0.646 1.00 0.00 C ATOM 0 HA ALA A 80 -10.320 -1.087 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -8.310 -1.490 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -9.560 -0.623 -0.186 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.158 0.261 0.462 1.00 0.00 H new ATOM 1282 N SER A 81 -7.952 0.930 3.205 1.00 0.00 N ATOM 1283 CA SER A 81 -6.987 1.107 4.326 1.00 0.00 C ATOM 1284 C SER A 81 -7.652 0.772 5.667 1.00 0.00 C ATOM 1285 O SER A 81 -6.986 0.485 6.642 1.00 0.00 O ATOM 1286 CB SER A 81 -6.596 2.584 4.278 1.00 0.00 C ATOM 1287 OG SER A 81 -7.745 3.381 4.528 1.00 0.00 O ATOM 0 H SER A 81 -8.003 1.710 2.550 1.00 0.00 H new ATOM 0 HA SER A 81 -6.123 0.449 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.826 2.793 5.020 1.00 0.00 H new ATOM 0 HB3 SER A 81 -6.174 2.829 3.303 1.00 0.00 H new ATOM 0 HG SER A 81 -7.909 3.424 5.493 1.00 0.00 H new ATOM 1293 N ASP A 82 -8.958 0.813 5.730 1.00 0.00 N ATOM 1294 CA ASP A 82 -9.643 0.503 7.020 1.00 0.00 C ATOM 1295 C ASP A 82 -10.899 -0.343 6.792 1.00 0.00 C ATOM 1296 O ASP A 82 -11.840 -0.286 7.557 1.00 0.00 O ATOM 1297 CB ASP A 82 -10.018 1.864 7.603 1.00 0.00 C ATOM 1298 CG ASP A 82 -8.746 2.630 7.973 1.00 0.00 C ATOM 1299 OD1 ASP A 82 -8.060 2.193 8.882 1.00 0.00 O ATOM 1300 OD2 ASP A 82 -8.482 3.640 7.344 1.00 0.00 O ATOM 0 H ASP A 82 -9.575 1.045 4.952 1.00 0.00 H new ATOM 0 HA ASP A 82 -9.002 -0.074 7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -10.600 2.434 6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -10.646 1.733 8.484 1.00 0.00 H new ATOM 1305 N VAL A 83 -10.922 -1.134 5.757 1.00 0.00 N ATOM 1306 CA VAL A 83 -12.120 -1.987 5.504 1.00 0.00 C ATOM 1307 C VAL A 83 -11.839 -3.423 5.949 1.00 0.00 C ATOM 1308 O VAL A 83 -10.738 -3.919 5.817 1.00 0.00 O ATOM 1309 CB VAL A 83 -12.354 -1.931 3.995 1.00 0.00 C ATOM 1310 CG1 VAL A 83 -13.620 -2.718 3.648 1.00 0.00 C ATOM 1311 CG2 VAL A 83 -12.525 -0.476 3.558 1.00 0.00 C ATOM 0 H VAL A 83 -10.168 -1.228 5.077 1.00 0.00 H new ATOM 0 HA VAL A 83 -12.993 -1.640 6.056 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.499 -2.367 3.478 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.789 -2.679 2.572 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -13.500 -3.756 3.960 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -14.474 -2.280 4.165 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -12.692 -0.437 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -13.380 -0.039 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -11.625 0.087 3.806 1.00 0.00 H new ATOM 1321 N LYS A 84 -12.823 -4.095 6.480 1.00 0.00 N ATOM 1322 CA LYS A 84 -12.602 -5.497 6.935 1.00 0.00 C ATOM 1323 C LYS A 84 -12.391 -6.422 5.726 1.00 0.00 C ATOM 1324 O LYS A 84 -13.081 -6.299 4.734 1.00 0.00 O ATOM 1325 CB LYS A 84 -13.882 -5.877 7.679 1.00 0.00 C ATOM 1326 CG LYS A 84 -15.085 -5.702 6.750 1.00 0.00 C ATOM 1327 CD LYS A 84 -16.259 -5.118 7.539 1.00 0.00 C ATOM 1328 CE LYS A 84 -16.859 -3.940 6.765 1.00 0.00 C ATOM 1329 NZ LYS A 84 -17.736 -3.230 7.742 1.00 0.00 N ATOM 0 H LYS A 84 -13.768 -3.736 6.618 1.00 0.00 H new ATOM 0 HA LYS A 84 -11.718 -5.591 7.566 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.822 -6.910 8.023 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -13.999 -5.252 8.565 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -14.826 -5.042 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -15.366 -6.662 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -17.018 -5.883 7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.922 -4.788 8.522 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.078 -3.280 6.386 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.430 -4.286 5.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.180 -2.411 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -18.475 -3.879 8.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -17.165 -2.904 8.548 1.00 0.00 H new ATOM 1343 N PRO A 85 -11.444 -7.324 5.843 1.00 0.00 N ATOM 1344 CA PRO A 85 -11.159 -8.270 4.739 1.00 0.00 C ATOM 1345 C PRO A 85 -12.370 -9.171 4.486 1.00 0.00 C ATOM 1346 O PRO A 85 -13.036 -9.603 5.406 1.00 0.00 O ATOM 1347 CB PRO A 85 -9.978 -9.080 5.284 1.00 0.00 C ATOM 1348 CG PRO A 85 -9.632 -8.563 6.694 1.00 0.00 C ATOM 1349 CD PRO A 85 -10.617 -7.448 7.066 1.00 0.00 C ATOM 0 HA PRO A 85 -10.943 -7.783 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -10.232 -10.139 5.322 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -9.116 -8.982 4.624 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -9.690 -9.375 7.419 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -8.609 -8.187 6.718 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -11.218 -7.712 7.936 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -10.103 -6.516 7.304 1.00 0.00 H new ATOM 1357 N CYS A 86 -12.663 -9.458 3.249 1.00 0.00 N ATOM 1358 CA CYS A 86 -13.834 -10.330 2.947 1.00 0.00 C ATOM 1359 C CYS A 86 -13.737 -11.636 3.739 1.00 0.00 C ATOM 1360 O CYS A 86 -12.626 -12.063 4.006 1.00 0.00 O ATOM 1361 CB CYS A 86 -13.753 -10.602 1.446 1.00 0.00 C ATOM 1362 SG CYS A 86 -15.425 -10.701 0.760 1.00 0.00 S ATOM 1363 OXT CYS A 86 -14.776 -12.187 4.064 1.00 0.00 O ATOM 0 H CYS A 86 -12.144 -9.128 2.435 1.00 0.00 H new ATOM 0 HA CYS A 86 -14.779 -9.862 3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -13.192 -9.809 0.952 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -13.217 -11.533 1.263 1.00 0.00 H new