USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 614 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 18 HIS HD1 : A 18 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 56 HIS HD1 : A 56 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 71 HIS : no HD1:sc= -1.86! K(o=-1.9!,f=-0.7) USER MOD Set 1.2: A 72 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 40:sc= -0.637 USER MOD Set 2.2: A 54 ASN : amide:sc= -0.022 X(o=-0.66,f=-0.64) USER MOD Single : A 1 GLY N :NH3+ -127:sc= 0.079 (180deg=0) USER MOD Single : A 2 SER OG : rot 6:sc= 1.03 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= -0.735 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-0.97) USER MOD Single : A 24 THR OG1 : rot 150:sc= 0.964 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 170:sc= 0.0772 USER MOD Single : A 33 HIS : no HD1:sc= -1.39 K(o=-1.4,f=-0.23) USER MOD Single : A 36 SER OG : rot 87:sc= 0.221 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -4.44! C(o=-4.4!,f=-4.4!) USER MOD Single : A 44 GLN : amide:sc= -0.273 K(o=-0.27,f=-1.7) USER MOD Single : A 46 MET CE :methyl 155:sc= -0.241 (180deg=-0.725) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.1 X(o=-0.1,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= -0.314 USER MOD Single : A 69 MET CE :methyl 171:sc= -3.45! (180deg=-3.79!) USER MOD Single : A 74 LYS NZ :NH3+ -139:sc= -0.15 (180deg=-1.69!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 29.152 -1.944 -32.361 1.00 0.00 N ATOM 2 CA GLY A 1 28.864 -0.900 -31.395 1.00 0.00 C ATOM 3 C GLY A 1 29.186 -1.320 -29.974 1.00 0.00 C ATOM 4 O GLY A 1 29.822 -2.351 -29.754 1.00 0.00 O ATOM 0 H1 GLY A 1 29.764 -1.564 -33.111 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.635 -2.733 -31.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.263 -2.284 -32.780 1.00 0.00 H new ATOM 0 HA2 GLY A 1 29.439 -0.008 -31.646 1.00 0.00 H new ATOM 0 HA3 GLY A 1 27.810 -0.629 -31.461 1.00 0.00 H new ATOM 8 N SER A 2 28.747 -0.519 -29.008 1.00 0.00 N ATOM 9 CA SER A 2 28.997 -0.811 -27.602 1.00 0.00 C ATOM 10 C SER A 2 28.020 -0.052 -26.708 1.00 0.00 C ATOM 11 O SER A 2 27.197 0.726 -27.190 1.00 0.00 O ATOM 12 CB SER A 2 30.435 -0.445 -27.231 1.00 0.00 C ATOM 13 OG SER A 2 31.356 -1.369 -27.784 1.00 0.00 O ATOM 0 H SER A 2 28.217 0.337 -29.174 1.00 0.00 H new ATOM 0 HA SER A 2 28.850 -1.880 -27.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.662 0.559 -27.590 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.540 -0.427 -26.146 1.00 0.00 H new ATOM 0 HG SER A 2 30.881 -1.993 -28.372 1.00 0.00 H new ATOM 19 N SER A 3 28.119 -0.285 -25.403 1.00 0.00 N ATOM 20 CA SER A 3 27.243 0.373 -24.441 1.00 0.00 C ATOM 21 C SER A 3 28.049 0.968 -23.290 1.00 0.00 C ATOM 22 O SER A 3 29.266 0.808 -23.223 1.00 0.00 O ATOM 23 CB SER A 3 26.211 -0.618 -23.898 1.00 0.00 C ATOM 24 OG SER A 3 25.510 -1.253 -24.953 1.00 0.00 O ATOM 0 H SER A 3 28.797 -0.924 -24.988 1.00 0.00 H new ATOM 0 HA SER A 3 26.724 1.183 -24.954 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.710 -1.369 -23.285 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.506 -0.096 -23.251 1.00 0.00 H new ATOM 0 HG SER A 3 24.858 -1.882 -24.580 1.00 0.00 H new ATOM 30 N GLY A 4 27.358 1.655 -22.385 1.00 0.00 N ATOM 31 CA GLY A 4 28.024 2.263 -21.249 1.00 0.00 C ATOM 32 C GLY A 4 27.056 2.960 -20.313 1.00 0.00 C ATOM 33 O GLY A 4 26.011 3.448 -20.742 1.00 0.00 O ATOM 0 H GLY A 4 26.349 1.801 -22.419 1.00 0.00 H new ATOM 0 HA2 GLY A 4 28.569 1.496 -20.698 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.761 2.983 -21.606 1.00 0.00 H new ATOM 37 N SER A 5 27.403 3.006 -19.031 1.00 0.00 N ATOM 38 CA SER A 5 26.554 3.643 -18.032 1.00 0.00 C ATOM 39 C SER A 5 27.210 4.909 -17.489 1.00 0.00 C ATOM 40 O SER A 5 28.353 5.223 -17.825 1.00 0.00 O ATOM 41 CB SER A 5 26.265 2.674 -16.884 1.00 0.00 C ATOM 42 OG SER A 5 25.032 2.979 -16.257 1.00 0.00 O ATOM 0 H SER A 5 28.266 2.610 -18.660 1.00 0.00 H new ATOM 0 HA SER A 5 25.615 3.918 -18.512 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.240 1.653 -17.264 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.071 2.723 -16.152 1.00 0.00 H new ATOM 0 HG SER A 5 24.870 2.344 -15.528 1.00 0.00 H new ATOM 48 N SER A 6 26.479 5.634 -16.649 1.00 0.00 N ATOM 49 CA SER A 6 26.986 6.869 -16.062 1.00 0.00 C ATOM 50 C SER A 6 27.054 6.760 -14.542 1.00 0.00 C ATOM 51 O SER A 6 28.119 6.910 -13.944 1.00 0.00 O ATOM 52 CB SER A 6 26.100 8.050 -16.462 1.00 0.00 C ATOM 53 OG SER A 6 26.737 9.284 -16.178 1.00 0.00 O ATOM 0 H SER A 6 25.533 5.387 -16.359 1.00 0.00 H new ATOM 0 HA SER A 6 27.994 7.036 -16.442 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.870 7.992 -17.526 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.152 7.995 -15.927 1.00 0.00 H new ATOM 0 HG SER A 6 26.151 10.023 -16.444 1.00 0.00 H new ATOM 59 N GLY A 7 25.907 6.498 -13.922 1.00 0.00 N ATOM 60 CA GLY A 7 25.856 6.374 -12.477 1.00 0.00 C ATOM 61 C GLY A 7 24.437 6.360 -11.946 1.00 0.00 C ATOM 62 O GLY A 7 23.496 6.052 -12.676 1.00 0.00 O ATOM 0 H GLY A 7 25.012 6.369 -14.395 1.00 0.00 H new ATOM 0 HA2 GLY A 7 26.362 5.457 -12.176 1.00 0.00 H new ATOM 0 HA3 GLY A 7 26.402 7.202 -12.025 1.00 0.00 H new ATOM 66 N GLY A 8 24.281 6.693 -10.668 1.00 0.00 N ATOM 67 CA GLY A 8 22.963 6.710 -10.061 1.00 0.00 C ATOM 68 C GLY A 8 22.915 7.555 -8.803 1.00 0.00 C ATOM 69 O GLY A 8 23.508 8.631 -8.730 1.00 0.00 O ATOM 0 H GLY A 8 25.044 6.951 -10.042 1.00 0.00 H new ATOM 0 HA2 GLY A 8 22.240 7.094 -10.781 1.00 0.00 H new ATOM 0 HA3 GLY A 8 22.663 5.690 -9.821 1.00 0.00 H new ATOM 73 N PRO A 9 22.192 7.066 -7.785 1.00 0.00 N ATOM 74 CA PRO A 9 22.050 7.769 -6.506 1.00 0.00 C ATOM 75 C PRO A 9 23.348 7.785 -5.706 1.00 0.00 C ATOM 76 O PRO A 9 24.048 6.776 -5.620 1.00 0.00 O ATOM 77 CB PRO A 9 20.979 6.958 -5.772 1.00 0.00 C ATOM 78 CG PRO A 9 21.066 5.593 -6.364 1.00 0.00 C ATOM 79 CD PRO A 9 21.458 5.790 -7.802 1.00 0.00 C ATOM 0 HA PRO A 9 21.789 8.818 -6.645 1.00 0.00 H new ATOM 0 HB2 PRO A 9 21.165 6.937 -4.698 1.00 0.00 H new ATOM 0 HB3 PRO A 9 19.988 7.389 -5.915 1.00 0.00 H new ATOM 0 HG2 PRO A 9 21.803 4.986 -5.838 1.00 0.00 H new ATOM 0 HG3 PRO A 9 20.111 5.073 -6.287 1.00 0.00 H new ATOM 0 HD2 PRO A 9 22.082 4.973 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 9 20.585 5.837 -8.453 1.00 0.00 H new ATOM 87 N ASP A 10 23.663 8.936 -5.122 1.00 0.00 N ATOM 88 CA ASP A 10 24.877 9.083 -4.327 1.00 0.00 C ATOM 89 C ASP A 10 24.546 9.542 -2.910 1.00 0.00 C ATOM 90 O ASP A 10 25.067 9.003 -1.933 1.00 0.00 O ATOM 91 CB ASP A 10 25.829 10.079 -4.990 1.00 0.00 C ATOM 92 CG ASP A 10 25.182 11.430 -5.225 1.00 0.00 C ATOM 93 OD1 ASP A 10 24.024 11.460 -5.693 1.00 0.00 O ATOM 94 OD2 ASP A 10 25.833 12.456 -4.941 1.00 0.00 O ATOM 0 H ASP A 10 23.095 9.781 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 10 25.365 8.110 -4.270 1.00 0.00 H new ATOM 0 HB2 ASP A 10 26.711 10.206 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 10 26.170 9.672 -5.942 1.00 0.00 H new ATOM 99 N THR A 11 23.677 10.542 -2.805 1.00 0.00 N ATOM 100 CA THR A 11 23.279 11.076 -1.509 1.00 0.00 C ATOM 101 C THR A 11 21.820 10.751 -1.206 1.00 0.00 C ATOM 102 O THR A 11 20.932 11.026 -2.013 1.00 0.00 O ATOM 103 CB THR A 11 23.478 12.602 -1.444 1.00 0.00 C ATOM 104 OG1 THR A 11 22.913 13.119 -0.234 1.00 0.00 O ATOM 105 CG2 THR A 11 22.833 13.283 -2.642 1.00 0.00 C ATOM 0 H THR A 11 23.235 10.999 -3.603 1.00 0.00 H new ATOM 0 HA THR A 11 23.917 10.603 -0.763 1.00 0.00 H new ATOM 0 HB THR A 11 24.548 12.808 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 11 23.045 14.089 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.986 14.360 -2.574 1.00 0.00 H new ATOM 0 HG22 THR A 11 23.286 12.909 -3.560 1.00 0.00 H new ATOM 0 HG23 THR A 11 21.764 13.069 -2.651 1.00 0.00 H new ATOM 113 N ASP A 12 21.580 10.166 -0.037 1.00 0.00 N ATOM 114 CA ASP A 12 20.228 9.806 0.373 1.00 0.00 C ATOM 115 C ASP A 12 19.464 11.032 0.865 1.00 0.00 C ATOM 116 O ASP A 12 20.039 12.109 1.028 1.00 0.00 O ATOM 117 CB ASP A 12 20.272 8.743 1.472 1.00 0.00 C ATOM 118 CG ASP A 12 21.296 9.061 2.544 1.00 0.00 C ATOM 119 OD1 ASP A 12 22.462 8.639 2.395 1.00 0.00 O ATOM 120 OD2 ASP A 12 20.932 9.733 3.532 1.00 0.00 O ATOM 0 H ASP A 12 22.304 9.931 0.642 1.00 0.00 H new ATOM 0 HA ASP A 12 19.708 9.400 -0.495 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.286 8.656 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.504 7.775 1.028 1.00 0.00 H new ATOM 125 N ASP A 13 18.168 10.861 1.097 1.00 0.00 N ATOM 126 CA ASP A 13 17.325 11.954 1.569 1.00 0.00 C ATOM 127 C ASP A 13 15.997 11.425 2.101 1.00 0.00 C ATOM 128 O ASP A 13 15.256 10.727 1.408 1.00 0.00 O ATOM 129 CB ASP A 13 17.074 12.957 0.442 1.00 0.00 C ATOM 130 CG ASP A 13 16.894 14.372 0.956 1.00 0.00 C ATOM 131 OD1 ASP A 13 17.748 14.830 1.744 1.00 0.00 O ATOM 132 OD2 ASP A 13 15.901 15.021 0.568 1.00 0.00 O ATOM 0 H ASP A 13 17.678 9.976 0.966 1.00 0.00 H new ATOM 0 HA ASP A 13 17.847 12.457 2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 13 17.910 12.931 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 13 16.185 12.660 -0.114 1.00 0.00 H new ATOM 137 N PRO A 14 15.688 11.761 3.362 1.00 0.00 N ATOM 138 CA PRO A 14 14.448 11.330 4.016 1.00 0.00 C ATOM 139 C PRO A 14 13.216 12.010 3.428 1.00 0.00 C ATOM 140 O PRO A 14 12.090 11.557 3.630 1.00 0.00 O ATOM 141 CB PRO A 14 14.649 11.755 5.473 1.00 0.00 C ATOM 142 CG PRO A 14 15.615 12.887 5.408 1.00 0.00 C ATOM 143 CD PRO A 14 16.524 12.590 4.247 1.00 0.00 C ATOM 0 HA PRO A 14 14.271 10.262 3.890 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.708 12.063 5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 14 15.041 10.934 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 14 15.096 13.835 5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 14 16.181 12.970 6.336 1.00 0.00 H new ATOM 0 HD2 PRO A 14 16.853 13.503 3.750 1.00 0.00 H new ATOM 0 HD3 PRO A 14 17.422 12.059 4.565 1.00 0.00 H new ATOM 151 N ARG A 15 13.438 13.100 2.700 1.00 0.00 N ATOM 152 CA ARG A 15 12.346 13.843 2.084 1.00 0.00 C ATOM 153 C ARG A 15 11.756 13.068 0.909 1.00 0.00 C ATOM 154 O ARG A 15 10.540 12.908 0.805 1.00 0.00 O ATOM 155 CB ARG A 15 12.835 15.213 1.611 1.00 0.00 C ATOM 156 CG ARG A 15 13.516 16.025 2.700 1.00 0.00 C ATOM 157 CD ARG A 15 12.506 16.810 3.524 1.00 0.00 C ATOM 158 NE ARG A 15 13.096 17.344 4.748 1.00 0.00 N ATOM 159 CZ ARG A 15 13.249 16.635 5.860 1.00 0.00 C ATOM 160 NH1 ARG A 15 12.859 15.369 5.902 1.00 0.00 N ATOM 161 NH2 ARG A 15 13.795 17.192 6.934 1.00 0.00 N ATOM 0 H ARG A 15 14.365 13.488 2.523 1.00 0.00 H new ATOM 0 HA ARG A 15 11.567 13.982 2.833 1.00 0.00 H new ATOM 0 HB2 ARG A 15 13.531 15.075 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 15 11.987 15.778 1.224 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.081 15.359 3.353 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.232 16.712 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.109 17.630 2.925 1.00 0.00 H new ATOM 0 HD3 ARG A 15 11.665 16.164 3.778 1.00 0.00 H new ATOM 0 HE ARG A 15 13.408 18.315 4.749 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.440 14.937 5.079 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.978 14.827 6.758 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.097 18.166 6.906 1.00 0.00 H new ATOM 0 HH22 ARG A 15 13.912 16.646 7.788 1.00 0.00 H new ATOM 175 N SER A 16 12.627 12.590 0.026 1.00 0.00 N ATOM 176 CA SER A 16 12.193 11.835 -1.145 1.00 0.00 C ATOM 177 C SER A 16 12.005 10.361 -0.801 1.00 0.00 C ATOM 178 O SER A 16 11.308 9.631 -1.506 1.00 0.00 O ATOM 179 CB SER A 16 13.210 11.982 -2.278 1.00 0.00 C ATOM 180 OG SER A 16 14.367 11.203 -2.028 1.00 0.00 O ATOM 0 H SER A 16 13.637 12.712 0.099 1.00 0.00 H new ATOM 0 HA SER A 16 11.235 12.238 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.757 11.674 -3.220 1.00 0.00 H new ATOM 0 HB3 SER A 16 13.490 13.030 -2.386 1.00 0.00 H new ATOM 0 HG SER A 16 15.001 11.313 -2.767 1.00 0.00 H new ATOM 186 N LYS A 17 12.633 9.929 0.287 1.00 0.00 N ATOM 187 CA LYS A 17 12.536 8.542 0.727 1.00 0.00 C ATOM 188 C LYS A 17 11.089 8.061 0.696 1.00 0.00 C ATOM 189 O LYS A 17 10.161 8.838 0.923 1.00 0.00 O ATOM 190 CB LYS A 17 13.104 8.393 2.141 1.00 0.00 C ATOM 191 CG LYS A 17 14.586 8.063 2.169 1.00 0.00 C ATOM 192 CD LYS A 17 14.823 6.562 2.171 1.00 0.00 C ATOM 193 CE LYS A 17 16.268 6.226 2.508 1.00 0.00 C ATOM 194 NZ LYS A 17 16.581 4.794 2.245 1.00 0.00 N ATOM 0 H LYS A 17 13.215 10.520 0.881 1.00 0.00 H new ATOM 0 HA LYS A 17 13.119 7.928 0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.936 9.319 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 17 12.556 7.609 2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.075 8.508 1.303 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.042 8.505 3.055 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.160 6.089 2.895 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.572 6.152 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 17 16.934 6.857 1.920 1.00 0.00 H new ATOM 0 HE3 LYS A 17 16.458 6.452 3.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 17.575 4.606 2.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 15.963 4.191 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 16.424 4.584 1.239 1.00 0.00 H new ATOM 208 N HIS A 18 10.903 6.775 0.416 1.00 0.00 N ATOM 209 CA HIS A 18 9.568 6.190 0.357 1.00 0.00 C ATOM 210 C HIS A 18 9.029 5.926 1.760 1.00 0.00 C ATOM 211 O HIS A 18 9.748 6.065 2.750 1.00 0.00 O ATOM 212 CB HIS A 18 9.593 4.889 -0.445 1.00 0.00 C ATOM 213 CG HIS A 18 9.383 5.088 -1.915 1.00 0.00 C ATOM 214 ND1 HIS A 18 8.139 5.280 -2.478 1.00 0.00 N ATOM 215 CD2 HIS A 18 10.268 5.126 -2.939 1.00 0.00 C ATOM 216 CE1 HIS A 18 8.267 5.425 -3.785 1.00 0.00 C ATOM 217 NE2 HIS A 18 9.549 5.336 -4.090 1.00 0.00 N ATOM 0 H HIS A 18 11.660 6.118 0.226 1.00 0.00 H new ATOM 0 HA HIS A 18 8.908 6.901 -0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 18 10.550 4.393 -0.287 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.821 4.221 -0.063 1.00 0.00 H new ATOM 0 HD2 HIS A 18 11.339 5.012 -2.865 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.461 5.588 -4.485 1.00 0.00 H new ATOM 0 HE2 HIS A 18 9.941 5.411 -5.028 1.00 0.00 H new ATOM 225 N LYS A 19 7.758 5.546 1.838 1.00 0.00 N ATOM 226 CA LYS A 19 7.121 5.262 3.119 1.00 0.00 C ATOM 227 C LYS A 19 6.329 3.961 3.055 1.00 0.00 C ATOM 228 O LYS A 19 5.207 3.880 3.557 1.00 0.00 O ATOM 229 CB LYS A 19 6.198 6.415 3.519 1.00 0.00 C ATOM 230 CG LYS A 19 6.883 7.771 3.522 1.00 0.00 C ATOM 231 CD LYS A 19 7.396 8.133 4.906 1.00 0.00 C ATOM 232 CE LYS A 19 8.532 9.141 4.833 1.00 0.00 C ATOM 233 NZ LYS A 19 9.288 9.219 6.114 1.00 0.00 N ATOM 0 H LYS A 19 7.148 5.428 1.029 1.00 0.00 H new ATOM 0 HA LYS A 19 7.903 5.154 3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.352 6.447 2.833 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.795 6.219 4.513 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.713 7.762 2.816 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.183 8.534 3.181 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.581 8.544 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.739 7.232 5.415 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.211 8.865 4.027 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.130 10.124 4.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.054 9.917 6.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.646 9.507 6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.693 8.287 6.335 1.00 0.00 H new ATOM 247 N PHE A 20 6.920 2.943 2.437 1.00 0.00 N ATOM 248 CA PHE A 20 6.269 1.644 2.309 1.00 0.00 C ATOM 249 C PHE A 20 6.057 1.005 3.678 1.00 0.00 C ATOM 250 O PHE A 20 6.916 1.090 4.556 1.00 0.00 O ATOM 251 CB PHE A 20 7.104 0.717 1.424 1.00 0.00 C ATOM 252 CG PHE A 20 7.344 1.260 0.045 1.00 0.00 C ATOM 253 CD1 PHE A 20 6.285 1.493 -0.817 1.00 0.00 C ATOM 254 CD2 PHE A 20 8.630 1.538 -0.390 1.00 0.00 C ATOM 255 CE1 PHE A 20 6.503 1.994 -2.087 1.00 0.00 C ATOM 256 CE2 PHE A 20 8.854 2.039 -1.658 1.00 0.00 C ATOM 257 CZ PHE A 20 7.789 2.266 -2.508 1.00 0.00 C ATOM 0 H PHE A 20 7.848 2.993 2.017 1.00 0.00 H new ATOM 0 HA PHE A 20 5.295 1.797 1.845 1.00 0.00 H new ATOM 0 HB2 PHE A 20 8.064 0.535 1.906 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.600 -0.246 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.277 1.281 -0.493 1.00 0.00 H new ATOM 0 HD2 PHE A 20 9.467 1.361 0.270 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.668 2.172 -2.749 1.00 0.00 H new ATOM 0 HE2 PHE A 20 9.861 2.253 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 20 7.962 2.656 -3.500 1.00 0.00 H new ATOM 267 N LYS A 21 4.906 0.365 3.854 1.00 0.00 N ATOM 268 CA LYS A 21 4.579 -0.291 5.115 1.00 0.00 C ATOM 269 C LYS A 21 3.926 -1.647 4.869 1.00 0.00 C ATOM 270 O LYS A 21 2.915 -1.743 4.172 1.00 0.00 O ATOM 271 CB LYS A 21 3.646 0.593 5.946 1.00 0.00 C ATOM 272 CG LYS A 21 4.378 1.597 6.820 1.00 0.00 C ATOM 273 CD LYS A 21 4.663 1.030 8.200 1.00 0.00 C ATOM 274 CE LYS A 21 5.949 0.217 8.214 1.00 0.00 C ATOM 275 NZ LYS A 21 6.555 0.160 9.573 1.00 0.00 N ATOM 0 H LYS A 21 4.183 0.286 3.139 1.00 0.00 H new ATOM 0 HA LYS A 21 5.506 -0.449 5.666 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.974 1.129 5.275 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.025 -0.042 6.578 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.315 1.882 6.342 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.780 2.503 6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.738 1.844 8.921 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.830 0.401 8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.743 -0.795 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.663 0.655 7.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.429 -0.403 9.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.776 1.124 9.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.884 -0.281 10.234 1.00 0.00 H new ATOM 289 N ILE A 22 4.508 -2.692 5.447 1.00 0.00 N ATOM 290 CA ILE A 22 3.981 -4.042 5.293 1.00 0.00 C ATOM 291 C ILE A 22 2.534 -4.125 5.768 1.00 0.00 C ATOM 292 O ILE A 22 2.259 -4.083 6.968 1.00 0.00 O ATOM 293 CB ILE A 22 4.824 -5.069 6.072 1.00 0.00 C ATOM 294 CG1 ILE A 22 4.402 -6.493 5.703 1.00 0.00 C ATOM 295 CG2 ILE A 22 4.686 -4.840 7.570 1.00 0.00 C ATOM 296 CD1 ILE A 22 4.793 -6.894 4.298 1.00 0.00 C ATOM 0 H ILE A 22 5.345 -2.630 6.027 1.00 0.00 H new ATOM 0 HA ILE A 22 4.027 -4.278 4.230 1.00 0.00 H new ATOM 0 HB ILE A 22 5.871 -4.939 5.800 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.851 -7.191 6.410 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.321 -6.582 5.810 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.287 -5.573 8.107 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.031 -3.836 7.818 1.00 0.00 H new ATOM 0 HG23 ILE A 22 3.641 -4.946 7.860 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.462 -7.915 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.323 -6.219 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.876 -6.837 4.192 1.00 0.00 H new ATOM 308 N HIS A 23 1.611 -4.243 4.818 1.00 0.00 N ATOM 309 CA HIS A 23 0.191 -4.335 5.140 1.00 0.00 C ATOM 310 C HIS A 23 -0.508 -5.339 4.229 1.00 0.00 C ATOM 311 O HIS A 23 0.002 -5.689 3.164 1.00 0.00 O ATOM 312 CB HIS A 23 -0.472 -2.963 5.010 1.00 0.00 C ATOM 313 CG HIS A 23 -1.917 -2.957 5.403 1.00 0.00 C ATOM 314 ND1 HIS A 23 -2.346 -3.166 6.696 1.00 0.00 N ATOM 315 CD2 HIS A 23 -3.035 -2.764 4.664 1.00 0.00 C ATOM 316 CE1 HIS A 23 -3.665 -3.103 6.736 1.00 0.00 C ATOM 317 NE2 HIS A 23 -4.108 -2.859 5.515 1.00 0.00 N ATOM 0 H HIS A 23 1.821 -4.277 3.820 1.00 0.00 H new ATOM 0 HA HIS A 23 0.098 -4.679 6.170 1.00 0.00 H new ATOM 0 HB2 HIS A 23 0.068 -2.247 5.630 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -0.383 -2.622 3.979 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -3.075 -2.571 3.602 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.277 -3.229 7.617 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.087 -2.758 5.248 1.00 0.00 H new ATOM 325 N THR A 24 -1.680 -5.801 4.654 1.00 0.00 N ATOM 326 CA THR A 24 -2.449 -6.766 3.879 1.00 0.00 C ATOM 327 C THR A 24 -3.541 -6.076 3.069 1.00 0.00 C ATOM 328 O THR A 24 -4.132 -5.093 3.517 1.00 0.00 O ATOM 329 CB THR A 24 -3.094 -7.830 4.787 1.00 0.00 C ATOM 330 OG1 THR A 24 -2.148 -8.279 5.763 1.00 0.00 O ATOM 331 CG2 THR A 24 -3.586 -9.014 3.968 1.00 0.00 C ATOM 0 H THR A 24 -2.117 -5.522 5.532 1.00 0.00 H new ATOM 0 HA THR A 24 -1.750 -7.254 3.200 1.00 0.00 H new ATOM 0 HB THR A 24 -3.948 -7.377 5.291 1.00 0.00 H new ATOM 0 HG1 THR A 24 -2.621 -8.545 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.038 -9.752 4.631 1.00 0.00 H new ATOM 0 HG22 THR A 24 -4.327 -8.673 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.746 -9.466 3.440 1.00 0.00 H new ATOM 339 N TYR A 25 -3.804 -6.597 1.876 1.00 0.00 N ATOM 340 CA TYR A 25 -4.825 -6.029 1.003 1.00 0.00 C ATOM 341 C TYR A 25 -6.078 -6.899 0.992 1.00 0.00 C ATOM 342 O TYR A 25 -6.039 -8.068 1.374 1.00 0.00 O ATOM 343 CB TYR A 25 -4.283 -5.880 -0.420 1.00 0.00 C ATOM 344 CG TYR A 25 -3.081 -4.967 -0.517 1.00 0.00 C ATOM 345 CD1 TYR A 25 -1.859 -5.334 0.033 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.168 -3.737 -1.157 1.00 0.00 C ATOM 347 CE1 TYR A 25 -0.759 -4.503 -0.053 1.00 0.00 C ATOM 348 CE2 TYR A 25 -2.073 -2.900 -1.249 1.00 0.00 C ATOM 349 CZ TYR A 25 -0.871 -3.288 -0.695 1.00 0.00 C ATOM 350 OH TYR A 25 0.222 -2.456 -0.783 1.00 0.00 O ATOM 0 H TYR A 25 -3.325 -7.411 1.491 1.00 0.00 H new ATOM 0 HA TYR A 25 -5.091 -5.045 1.389 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.013 -6.864 -0.802 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.074 -5.495 -1.063 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -1.768 -6.285 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.108 -3.430 -1.590 1.00 0.00 H new ATOM 0 HE1 TYR A 25 0.184 -4.803 0.380 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.158 -1.948 -1.752 1.00 0.00 H new ATOM 0 HH TYR A 25 1.025 -2.989 -0.959 1.00 0.00 H new ATOM 360 N GLY A 26 -7.190 -6.319 0.551 1.00 0.00 N ATOM 361 CA GLY A 26 -8.440 -7.054 0.498 1.00 0.00 C ATOM 362 C GLY A 26 -8.824 -7.444 -0.916 1.00 0.00 C ATOM 363 O GLY A 26 -9.717 -8.266 -1.120 1.00 0.00 O ATOM 0 H GLY A 26 -7.247 -5.353 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.356 -7.953 1.109 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.234 -6.446 0.932 1.00 0.00 H new ATOM 367 N SER A 27 -8.149 -6.850 -1.896 1.00 0.00 N ATOM 368 CA SER A 27 -8.429 -7.135 -3.298 1.00 0.00 C ATOM 369 C SER A 27 -7.139 -7.415 -4.063 1.00 0.00 C ATOM 370 O SER A 27 -6.042 -7.055 -3.634 1.00 0.00 O ATOM 371 CB SER A 27 -9.172 -5.962 -3.941 1.00 0.00 C ATOM 372 OG SER A 27 -8.273 -5.092 -4.605 1.00 0.00 O ATOM 0 H SER A 27 -7.405 -6.169 -1.744 1.00 0.00 H new ATOM 0 HA SER A 27 -9.059 -8.023 -3.344 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.909 -6.339 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.719 -5.410 -3.176 1.00 0.00 H new ATOM 0 HG SER A 27 -8.772 -4.352 -5.009 1.00 0.00 H new ATOM 378 N PRO A 28 -7.271 -8.074 -5.224 1.00 0.00 N ATOM 379 CA PRO A 28 -6.128 -8.417 -6.074 1.00 0.00 C ATOM 380 C PRO A 28 -5.503 -7.189 -6.729 1.00 0.00 C ATOM 381 O PRO A 28 -6.036 -6.651 -7.700 1.00 0.00 O ATOM 382 CB PRO A 28 -6.738 -9.336 -7.135 1.00 0.00 C ATOM 383 CG PRO A 28 -8.175 -8.947 -7.193 1.00 0.00 C ATOM 384 CD PRO A 28 -8.548 -8.533 -5.796 1.00 0.00 C ATOM 0 HA PRO A 28 -5.321 -8.877 -5.505 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -6.252 -9.202 -8.102 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -6.623 -10.385 -6.863 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -8.330 -8.129 -7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -8.792 -9.780 -7.531 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.296 -7.740 -5.798 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -8.967 -9.364 -5.229 1.00 0.00 H new ATOM 392 N THR A 29 -4.369 -6.750 -6.192 1.00 0.00 N ATOM 393 CA THR A 29 -3.672 -5.586 -6.723 1.00 0.00 C ATOM 394 C THR A 29 -2.490 -6.002 -7.592 1.00 0.00 C ATOM 395 O THR A 29 -1.955 -7.101 -7.445 1.00 0.00 O ATOM 396 CB THR A 29 -3.167 -4.669 -5.593 1.00 0.00 C ATOM 397 OG1 THR A 29 -3.907 -4.919 -4.393 1.00 0.00 O ATOM 398 CG2 THR A 29 -3.303 -3.205 -5.983 1.00 0.00 C ATOM 0 H THR A 29 -3.914 -7.184 -5.389 1.00 0.00 H new ATOM 0 HA THR A 29 -4.391 -5.037 -7.331 1.00 0.00 H new ATOM 0 HB THR A 29 -2.113 -4.886 -5.422 1.00 0.00 H new ATOM 0 HG1 THR A 29 -3.481 -4.454 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.940 -2.577 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.716 -3.012 -6.881 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.351 -2.976 -6.179 1.00 0.00 H new ATOM 406 N PHE A 30 -2.086 -5.116 -8.496 1.00 0.00 N ATOM 407 CA PHE A 30 -0.966 -5.391 -9.388 1.00 0.00 C ATOM 408 C PHE A 30 0.238 -4.523 -9.034 1.00 0.00 C ATOM 409 O PHE A 30 0.105 -3.322 -8.800 1.00 0.00 O ATOM 410 CB PHE A 30 -1.374 -5.148 -10.843 1.00 0.00 C ATOM 411 CG PHE A 30 -2.263 -6.221 -11.403 1.00 0.00 C ATOM 412 CD1 PHE A 30 -1.752 -7.471 -11.714 1.00 0.00 C ATOM 413 CD2 PHE A 30 -3.610 -5.980 -11.620 1.00 0.00 C ATOM 414 CE1 PHE A 30 -2.567 -8.461 -12.230 1.00 0.00 C ATOM 415 CE2 PHE A 30 -4.430 -6.966 -12.135 1.00 0.00 C ATOM 416 CZ PHE A 30 -3.908 -8.207 -12.441 1.00 0.00 C ATOM 0 H PHE A 30 -2.517 -4.202 -8.630 1.00 0.00 H new ATOM 0 HA PHE A 30 -0.685 -6.437 -9.266 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.887 -4.189 -10.913 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.476 -5.074 -11.456 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.704 -7.674 -11.551 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.024 -5.011 -11.384 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.156 -9.431 -12.468 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.479 -6.766 -12.298 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.547 -8.978 -12.845 1.00 0.00 H new ATOM 426 N CYS A 31 1.414 -5.141 -8.996 1.00 0.00 N ATOM 427 CA CYS A 31 2.643 -4.427 -8.670 1.00 0.00 C ATOM 428 C CYS A 31 2.983 -3.406 -9.752 1.00 0.00 C ATOM 429 O CYS A 31 2.573 -3.548 -10.904 1.00 0.00 O ATOM 430 CB CYS A 31 3.801 -5.413 -8.501 1.00 0.00 C ATOM 431 SG CYS A 31 5.402 -4.624 -8.139 1.00 0.00 S ATOM 0 H CYS A 31 1.542 -6.135 -9.187 1.00 0.00 H new ATOM 0 HA CYS A 31 2.487 -3.896 -7.731 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.559 -6.106 -7.695 1.00 0.00 H new ATOM 0 HB3 CYS A 31 3.897 -6.004 -9.412 1.00 0.00 H new ATOM 436 N ASP A 32 3.734 -2.378 -9.372 1.00 0.00 N ATOM 437 CA ASP A 32 4.131 -1.334 -10.309 1.00 0.00 C ATOM 438 C ASP A 32 5.590 -1.501 -10.723 1.00 0.00 C ATOM 439 O ASP A 32 5.969 -1.168 -11.846 1.00 0.00 O ATOM 440 CB ASP A 32 3.918 0.047 -9.687 1.00 0.00 C ATOM 441 CG ASP A 32 3.597 1.106 -10.724 1.00 0.00 C ATOM 442 OD1 ASP A 32 2.700 0.866 -11.558 1.00 0.00 O ATOM 443 OD2 ASP A 32 4.244 2.174 -10.701 1.00 0.00 O ATOM 0 H ASP A 32 4.080 -2.246 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 32 3.508 -1.422 -11.199 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.106 -0.006 -8.962 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.815 0.338 -9.140 1.00 0.00 H new ATOM 448 N HIS A 33 6.404 -2.016 -9.807 1.00 0.00 N ATOM 449 CA HIS A 33 7.822 -2.226 -10.077 1.00 0.00 C ATOM 450 C HIS A 33 8.019 -3.292 -11.150 1.00 0.00 C ATOM 451 O HIS A 33 8.450 -2.994 -12.265 1.00 0.00 O ATOM 452 CB HIS A 33 8.551 -2.635 -8.796 1.00 0.00 C ATOM 453 CG HIS A 33 10.009 -2.908 -8.999 1.00 0.00 C ATOM 454 ND1 HIS A 33 10.977 -1.930 -8.916 1.00 0.00 N ATOM 455 CD2 HIS A 33 10.663 -4.060 -9.280 1.00 0.00 C ATOM 456 CE1 HIS A 33 12.163 -2.467 -9.140 1.00 0.00 C ATOM 457 NE2 HIS A 33 12.000 -3.759 -9.363 1.00 0.00 N ATOM 0 H HIS A 33 6.106 -2.295 -8.872 1.00 0.00 H new ATOM 0 HA HIS A 33 8.240 -1.288 -10.441 1.00 0.00 H new ATOM 0 HB2 HIS A 33 8.437 -1.844 -8.055 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.076 -3.527 -8.386 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.216 -5.034 -9.414 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.105 -1.940 -9.141 1.00 0.00 H new ATOM 0 HE2 HIS A 33 12.746 -4.425 -9.564 1.00 0.00 H new ATOM 465 N CYS A 34 7.701 -4.536 -10.807 1.00 0.00 N ATOM 466 CA CYS A 34 7.844 -5.648 -11.740 1.00 0.00 C ATOM 467 C CYS A 34 6.616 -5.765 -12.639 1.00 0.00 C ATOM 468 O CYS A 34 6.734 -5.988 -13.843 1.00 0.00 O ATOM 469 CB CYS A 34 8.058 -6.957 -10.978 1.00 0.00 C ATOM 470 SG CYS A 34 6.647 -7.450 -9.937 1.00 0.00 S ATOM 0 H CYS A 34 7.342 -4.800 -9.889 1.00 0.00 H new ATOM 0 HA CYS A 34 8.715 -5.454 -12.367 1.00 0.00 H new ATOM 0 HB2 CYS A 34 8.263 -7.753 -11.694 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.943 -6.859 -10.349 1.00 0.00 H new ATOM 475 N GLY A 35 5.437 -5.612 -12.043 1.00 0.00 N ATOM 476 CA GLY A 35 4.204 -5.703 -12.804 1.00 0.00 C ATOM 477 C GLY A 35 3.491 -7.024 -12.595 1.00 0.00 C ATOM 478 O GLY A 35 2.750 -7.482 -13.465 1.00 0.00 O ATOM 0 H GLY A 35 5.314 -5.427 -11.048 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.542 -4.887 -12.516 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.424 -5.576 -13.864 1.00 0.00 H new ATOM 482 N SER A 36 3.716 -7.640 -11.438 1.00 0.00 N ATOM 483 CA SER A 36 3.093 -8.919 -11.120 1.00 0.00 C ATOM 484 C SER A 36 2.067 -8.760 -10.001 1.00 0.00 C ATOM 485 O SER A 36 2.280 -8.008 -9.049 1.00 0.00 O ATOM 486 CB SER A 36 4.156 -9.940 -10.711 1.00 0.00 C ATOM 487 OG SER A 36 5.190 -10.014 -11.677 1.00 0.00 O ATOM 0 H SER A 36 4.325 -7.274 -10.706 1.00 0.00 H new ATOM 0 HA SER A 36 2.580 -9.277 -12.012 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.577 -9.664 -9.744 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.696 -10.921 -10.591 1.00 0.00 H new ATOM 0 HG SER A 36 5.873 -9.340 -11.478 1.00 0.00 H new ATOM 493 N LEU A 37 0.953 -9.474 -10.123 1.00 0.00 N ATOM 494 CA LEU A 37 -0.107 -9.414 -9.123 1.00 0.00 C ATOM 495 C LEU A 37 0.445 -9.682 -7.727 1.00 0.00 C ATOM 496 O LEU A 37 1.425 -10.410 -7.564 1.00 0.00 O ATOM 497 CB LEU A 37 -1.205 -10.427 -9.453 1.00 0.00 C ATOM 498 CG LEU A 37 -2.517 -10.270 -8.684 1.00 0.00 C ATOM 499 CD1 LEU A 37 -3.469 -9.352 -9.435 1.00 0.00 C ATOM 500 CD2 LEU A 37 -3.161 -11.628 -8.444 1.00 0.00 C ATOM 0 H LEU A 37 0.761 -10.101 -10.904 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.531 -8.410 -9.139 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.422 -10.363 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.816 -11.428 -9.267 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.297 -9.819 -7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.397 -9.252 -8.873 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.010 -8.371 -9.555 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.683 -9.774 -10.417 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.094 -11.497 -7.895 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.367 -12.107 -9.401 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.484 -12.254 -7.863 1.00 0.00 H new ATOM 512 N LEU A 38 -0.191 -9.091 -6.721 1.00 0.00 N ATOM 513 CA LEU A 38 0.235 -9.267 -5.337 1.00 0.00 C ATOM 514 C LEU A 38 -0.609 -10.329 -4.639 1.00 0.00 C ATOM 515 O LEU A 38 -1.674 -10.033 -4.097 1.00 0.00 O ATOM 516 CB LEU A 38 0.137 -7.942 -4.580 1.00 0.00 C ATOM 517 CG LEU A 38 0.891 -6.761 -5.193 1.00 0.00 C ATOM 518 CD1 LEU A 38 0.511 -5.465 -4.495 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.393 -6.990 -5.116 1.00 0.00 C ATOM 0 H LEU A 38 -1.004 -8.486 -6.838 1.00 0.00 H new ATOM 0 HA LEU A 38 1.273 -9.599 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.916 -7.671 -4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.508 -8.097 -3.567 1.00 0.00 H new ATOM 0 HG LEU A 38 0.609 -6.680 -6.243 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.057 -4.636 -4.945 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.560 -5.294 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.763 -5.534 -3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.914 -6.140 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.692 -7.098 -4.073 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.651 -7.897 -5.663 1.00 0.00 H new ATOM 531 N TYR A 39 -0.125 -11.566 -4.654 1.00 0.00 N ATOM 532 CA TYR A 39 -0.834 -12.672 -4.022 1.00 0.00 C ATOM 533 C TYR A 39 -0.423 -12.820 -2.561 1.00 0.00 C ATOM 534 O TYR A 39 0.589 -12.268 -2.130 1.00 0.00 O ATOM 535 CB TYR A 39 -0.563 -13.976 -4.774 1.00 0.00 C ATOM 536 CG TYR A 39 0.816 -14.042 -5.392 1.00 0.00 C ATOM 537 CD1 TYR A 39 1.955 -14.074 -4.597 1.00 0.00 C ATOM 538 CD2 TYR A 39 0.979 -14.074 -6.772 1.00 0.00 C ATOM 539 CE1 TYR A 39 3.216 -14.134 -5.157 1.00 0.00 C ATOM 540 CE2 TYR A 39 2.237 -14.136 -7.341 1.00 0.00 C ATOM 541 CZ TYR A 39 3.352 -14.165 -6.530 1.00 0.00 C ATOM 542 OH TYR A 39 4.606 -14.226 -7.092 1.00 0.00 O ATOM 0 H TYR A 39 0.756 -11.828 -5.097 1.00 0.00 H new ATOM 0 HA TYR A 39 -1.901 -12.454 -4.060 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.685 -14.814 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -1.310 -14.095 -5.559 1.00 0.00 H new ATOM 0 HD1 TYR A 39 1.852 -14.052 -3.522 1.00 0.00 H new ATOM 0 HD2 TYR A 39 0.108 -14.050 -7.410 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.091 -14.157 -4.524 1.00 0.00 H new ATOM 0 HE2 TYR A 39 2.346 -14.162 -8.415 1.00 0.00 H new ATOM 0 HH TYR A 39 4.526 -14.242 -8.069 1.00 0.00 H new ATOM 552 N GLY A 40 -1.217 -13.569 -1.802 1.00 0.00 N ATOM 553 CA GLY A 40 -0.919 -13.778 -0.397 1.00 0.00 C ATOM 554 C GLY A 40 -2.139 -13.602 0.486 1.00 0.00 C ATOM 555 O GLY A 40 -3.131 -12.998 0.075 1.00 0.00 O ATOM 0 H GLY A 40 -2.061 -14.035 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.516 -14.781 -0.259 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.144 -13.078 -0.085 1.00 0.00 H new ATOM 559 N LEU A 41 -2.068 -14.131 1.703 1.00 0.00 N ATOM 560 CA LEU A 41 -3.176 -14.031 2.646 1.00 0.00 C ATOM 561 C LEU A 41 -2.932 -12.913 3.655 1.00 0.00 C ATOM 562 O LEU A 41 -3.823 -12.108 3.931 1.00 0.00 O ATOM 563 CB LEU A 41 -3.370 -15.360 3.378 1.00 0.00 C ATOM 564 CG LEU A 41 -3.725 -16.563 2.502 1.00 0.00 C ATOM 565 CD1 LEU A 41 -5.097 -16.378 1.873 1.00 0.00 C ATOM 566 CD2 LEU A 41 -2.667 -16.771 1.428 1.00 0.00 C ATOM 0 H LEU A 41 -1.255 -14.633 2.059 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.080 -13.798 2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.454 -15.590 3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.158 -15.231 4.120 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.754 -17.452 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.333 -17.243 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.847 -16.279 2.658 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.096 -15.479 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.936 -17.631 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.606 -15.882 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.700 -16.949 1.899 1.00 0.00 H new ATOM 578 N ILE A 42 -1.721 -12.868 4.200 1.00 0.00 N ATOM 579 CA ILE A 42 -1.361 -11.847 5.176 1.00 0.00 C ATOM 580 C ILE A 42 -0.063 -11.148 4.785 1.00 0.00 C ATOM 581 O ILE A 42 0.945 -11.799 4.504 1.00 0.00 O ATOM 582 CB ILE A 42 -1.204 -12.446 6.586 1.00 0.00 C ATOM 583 CG1 ILE A 42 -1.222 -11.336 7.640 1.00 0.00 C ATOM 584 CG2 ILE A 42 0.083 -13.252 6.679 1.00 0.00 C ATOM 585 CD1 ILE A 42 0.135 -10.715 7.885 1.00 0.00 C ATOM 0 H ILE A 42 -0.973 -13.526 3.982 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.174 -11.121 5.188 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.043 -13.115 6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.917 -10.558 7.325 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.602 -11.742 8.578 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.180 -13.669 7.682 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.059 -14.062 5.950 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.934 -12.603 6.472 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.047 -9.937 8.643 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.829 -11.481 8.230 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.508 -10.279 6.958 1.00 0.00 H new ATOM 597 N HIS A 43 -0.093 -9.820 4.772 1.00 0.00 N ATOM 598 CA HIS A 43 1.083 -9.032 4.419 1.00 0.00 C ATOM 599 C HIS A 43 1.566 -9.377 3.014 1.00 0.00 C ATOM 600 O HIS A 43 2.730 -9.723 2.816 1.00 0.00 O ATOM 601 CB HIS A 43 2.205 -9.269 5.430 1.00 0.00 C ATOM 602 CG HIS A 43 2.021 -8.523 6.715 1.00 0.00 C ATOM 603 ND1 HIS A 43 2.694 -8.845 7.875 1.00 0.00 N ATOM 604 CD2 HIS A 43 1.236 -7.464 7.020 1.00 0.00 C ATOM 605 CE1 HIS A 43 2.329 -8.017 8.837 1.00 0.00 C ATOM 606 NE2 HIS A 43 1.445 -7.168 8.344 1.00 0.00 N ATOM 0 H HIS A 43 -0.918 -9.266 5.002 1.00 0.00 H new ATOM 0 HA HIS A 43 0.803 -7.979 4.439 1.00 0.00 H new ATOM 0 HB2 HIS A 43 2.270 -10.336 5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 43 3.154 -8.976 4.982 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.568 -6.947 6.346 1.00 0.00 H new ATOM 0 HE1 HIS A 43 2.692 -8.032 9.854 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.992 -6.416 8.862 1.00 0.00 H new ATOM 614 N GLN A 44 0.664 -9.281 2.042 1.00 0.00 N ATOM 615 CA GLN A 44 0.999 -9.585 0.656 1.00 0.00 C ATOM 616 C GLN A 44 2.189 -8.753 0.189 1.00 0.00 C ATOM 617 O GLN A 44 3.278 -9.280 -0.033 1.00 0.00 O ATOM 618 CB GLN A 44 -0.206 -9.328 -0.250 1.00 0.00 C ATOM 619 CG GLN A 44 -1.353 -10.300 -0.028 1.00 0.00 C ATOM 620 CD GLN A 44 -2.691 -9.732 -0.459 1.00 0.00 C ATOM 621 OE1 GLN A 44 -2.758 -8.857 -1.322 1.00 0.00 O ATOM 622 NE2 GLN A 44 -3.767 -10.228 0.142 1.00 0.00 N ATOM 0 H GLN A 44 -0.304 -8.995 2.189 1.00 0.00 H new ATOM 0 HA GLN A 44 1.270 -10.639 0.596 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.565 -8.312 -0.084 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.113 -9.387 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.158 -11.219 -0.581 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.399 -10.567 1.028 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.666 -10.953 0.852 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.694 -9.884 -0.107 1.00 0.00 H new ATOM 631 N GLY A 45 1.971 -7.450 0.040 1.00 0.00 N ATOM 632 CA GLY A 45 3.035 -6.566 -0.401 1.00 0.00 C ATOM 633 C GLY A 45 3.173 -5.341 0.481 1.00 0.00 C ATOM 634 O GLY A 45 2.703 -5.329 1.618 1.00 0.00 O ATOM 0 H GLY A 45 1.077 -6.991 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.978 -7.113 -0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.841 -6.252 -1.426 1.00 0.00 H new ATOM 638 N MET A 46 3.822 -4.306 -0.044 1.00 0.00 N ATOM 639 CA MET A 46 4.021 -3.070 0.703 1.00 0.00 C ATOM 640 C MET A 46 3.251 -1.918 0.065 1.00 0.00 C ATOM 641 O MET A 46 2.982 -1.929 -1.137 1.00 0.00 O ATOM 642 CB MET A 46 5.510 -2.726 0.775 1.00 0.00 C ATOM 643 CG MET A 46 6.397 -3.925 1.069 1.00 0.00 C ATOM 644 SD MET A 46 7.900 -3.475 1.957 1.00 0.00 S ATOM 645 CE MET A 46 7.222 -2.963 3.534 1.00 0.00 C ATOM 0 H MET A 46 4.219 -4.299 -0.984 1.00 0.00 H new ATOM 0 HA MET A 46 3.641 -3.221 1.713 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.818 -2.280 -0.171 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.664 -1.973 1.548 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.836 -4.652 1.657 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.665 -4.412 0.132 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.978 -3.081 4.310 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.919 -1.917 3.478 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.356 -3.579 3.775 1.00 0.00 H new ATOM 655 N LYS A 47 2.899 -0.926 0.875 1.00 0.00 N ATOM 656 CA LYS A 47 2.162 0.234 0.390 1.00 0.00 C ATOM 657 C LYS A 47 2.760 1.527 0.936 1.00 0.00 C ATOM 658 O LYS A 47 3.019 1.646 2.133 1.00 0.00 O ATOM 659 CB LYS A 47 0.689 0.132 0.792 1.00 0.00 C ATOM 660 CG LYS A 47 -0.258 0.792 -0.195 1.00 0.00 C ATOM 661 CD LYS A 47 -1.500 1.329 0.498 1.00 0.00 C ATOM 662 CE LYS A 47 -2.595 0.277 0.574 1.00 0.00 C ATOM 663 NZ LYS A 47 -3.825 0.802 1.229 1.00 0.00 N ATOM 0 H LYS A 47 3.113 -0.902 1.872 1.00 0.00 H new ATOM 0 HA LYS A 47 2.236 0.251 -0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.421 -0.920 0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.556 0.590 1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.256 1.607 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.549 0.071 -0.959 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.242 1.660 1.504 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.869 2.202 -0.040 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.838 -0.067 -0.431 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.230 -0.588 1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.547 0.054 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.599 1.107 2.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.189 1.611 0.687 1.00 0.00 H new ATOM 677 N CYS A 48 2.976 2.493 0.050 1.00 0.00 N ATOM 678 CA CYS A 48 3.543 3.778 0.442 1.00 0.00 C ATOM 679 C CYS A 48 2.484 4.663 1.093 1.00 0.00 C ATOM 680 O CYS A 48 1.287 4.394 0.991 1.00 0.00 O ATOM 681 CB CYS A 48 4.140 4.488 -0.774 1.00 0.00 C ATOM 682 SG CYS A 48 5.230 5.887 -0.358 1.00 0.00 S ATOM 0 H CYS A 48 2.767 2.410 -0.945 1.00 0.00 H new ATOM 0 HA CYS A 48 4.333 3.592 1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 48 4.704 3.765 -1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.328 4.849 -1.405 1.00 0.00 H new ATOM 687 N ASP A 49 2.934 5.720 1.761 1.00 0.00 N ATOM 688 CA ASP A 49 2.026 6.646 2.427 1.00 0.00 C ATOM 689 C ASP A 49 1.960 7.975 1.680 1.00 0.00 C ATOM 690 O ASP A 49 1.135 8.834 1.990 1.00 0.00 O ATOM 691 CB ASP A 49 2.473 6.882 3.871 1.00 0.00 C ATOM 692 CG ASP A 49 2.029 5.771 4.803 1.00 0.00 C ATOM 693 OD1 ASP A 49 1.060 5.061 4.460 1.00 0.00 O ATOM 694 OD2 ASP A 49 2.651 5.612 5.874 1.00 0.00 O ATOM 0 H ASP A 49 3.922 5.956 1.855 1.00 0.00 H new ATOM 0 HA ASP A 49 1.031 6.201 2.430 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.559 6.967 3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.069 7.831 4.223 1.00 0.00 H new ATOM 699 N THR A 50 2.835 8.137 0.692 1.00 0.00 N ATOM 700 CA THR A 50 2.878 9.360 -0.099 1.00 0.00 C ATOM 701 C THR A 50 2.472 9.095 -1.544 1.00 0.00 C ATOM 702 O THR A 50 1.729 9.873 -2.144 1.00 0.00 O ATOM 703 CB THR A 50 4.282 9.993 -0.080 1.00 0.00 C ATOM 704 OG1 THR A 50 4.393 10.970 -1.120 1.00 0.00 O ATOM 705 CG2 THR A 50 5.356 8.931 -0.257 1.00 0.00 C ATOM 0 H THR A 50 3.524 7.435 0.421 1.00 0.00 H new ATOM 0 HA THR A 50 2.169 10.053 0.353 1.00 0.00 H new ATOM 0 HB THR A 50 4.426 10.475 0.887 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.288 11.369 -1.100 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.339 9.401 -0.240 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.287 8.205 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.213 8.424 -1.211 1.00 0.00 H new ATOM 713 N CYS A 51 2.962 7.992 -2.099 1.00 0.00 N ATOM 714 CA CYS A 51 2.651 7.623 -3.474 1.00 0.00 C ATOM 715 C CYS A 51 1.735 6.403 -3.517 1.00 0.00 C ATOM 716 O CYS A 51 1.470 5.850 -4.584 1.00 0.00 O ATOM 717 CB CYS A 51 3.937 7.337 -4.252 1.00 0.00 C ATOM 718 SG CYS A 51 4.701 5.731 -3.858 1.00 0.00 S ATOM 0 H CYS A 51 3.577 7.337 -1.616 1.00 0.00 H new ATOM 0 HA CYS A 51 2.132 8.461 -3.939 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.719 7.372 -5.319 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.657 8.130 -4.048 1.00 0.00 H new ATOM 723 N ASP A 52 1.257 5.989 -2.349 1.00 0.00 N ATOM 724 CA ASP A 52 0.370 4.835 -2.251 1.00 0.00 C ATOM 725 C ASP A 52 0.714 3.795 -3.312 1.00 0.00 C ATOM 726 O ASP A 52 -0.173 3.215 -3.938 1.00 0.00 O ATOM 727 CB ASP A 52 -1.088 5.272 -2.401 1.00 0.00 C ATOM 728 CG ASP A 52 -1.432 5.663 -3.825 1.00 0.00 C ATOM 729 OD1 ASP A 52 -1.189 6.831 -4.194 1.00 0.00 O ATOM 730 OD2 ASP A 52 -1.945 4.802 -4.570 1.00 0.00 O ATOM 0 H ASP A 52 1.469 6.435 -1.456 1.00 0.00 H new ATOM 0 HA ASP A 52 0.507 4.384 -1.268 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.742 4.460 -2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.281 6.116 -1.739 1.00 0.00 H new ATOM 735 N MET A 53 2.008 3.564 -3.510 1.00 0.00 N ATOM 736 CA MET A 53 2.469 2.593 -4.495 1.00 0.00 C ATOM 737 C MET A 53 2.323 1.170 -3.966 1.00 0.00 C ATOM 738 O MET A 53 2.414 0.933 -2.762 1.00 0.00 O ATOM 739 CB MET A 53 3.928 2.864 -4.867 1.00 0.00 C ATOM 740 CG MET A 53 4.627 1.670 -5.497 1.00 0.00 C ATOM 741 SD MET A 53 6.421 1.755 -5.342 1.00 0.00 S ATOM 742 CE MET A 53 6.885 2.196 -7.015 1.00 0.00 C ATOM 0 H MET A 53 2.755 4.036 -3.001 1.00 0.00 H new ATOM 0 HA MET A 53 1.850 2.696 -5.386 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.968 3.705 -5.560 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.473 3.163 -3.972 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.268 0.754 -5.027 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.360 1.612 -6.552 1.00 0.00 H new ATOM 0 HE1 MET A 53 7.969 2.286 -7.080 1.00 0.00 H new ATOM 0 HE2 MET A 53 6.543 1.423 -7.703 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.425 3.148 -7.281 1.00 0.00 H new ATOM 752 N ASN A 54 2.096 0.226 -4.873 1.00 0.00 N ATOM 753 CA ASN A 54 1.936 -1.174 -4.496 1.00 0.00 C ATOM 754 C ASN A 54 3.020 -2.036 -5.136 1.00 0.00 C ATOM 755 O ASN A 54 2.996 -2.292 -6.340 1.00 0.00 O ATOM 756 CB ASN A 54 0.554 -1.682 -4.912 1.00 0.00 C ATOM 757 CG ASN A 54 -0.492 -0.584 -4.902 1.00 0.00 C ATOM 758 OD1 ASN A 54 -0.694 0.105 -5.902 1.00 0.00 O ATOM 759 ND2 ASN A 54 -1.163 -0.416 -3.768 1.00 0.00 N ATOM 0 H ASN A 54 2.019 0.405 -5.874 1.00 0.00 H new ATOM 0 HA ASN A 54 2.031 -1.246 -3.412 1.00 0.00 H new ATOM 0 HB2 ASN A 54 0.614 -2.114 -5.911 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.245 -2.481 -4.238 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.879 0.307 -3.701 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.962 -1.010 -2.964 1.00 0.00 H new ATOM 766 N VAL A 55 3.971 -2.483 -4.321 1.00 0.00 N ATOM 767 CA VAL A 55 5.063 -3.318 -4.806 1.00 0.00 C ATOM 768 C VAL A 55 5.308 -4.499 -3.874 1.00 0.00 C ATOM 769 O VAL A 55 4.751 -4.564 -2.777 1.00 0.00 O ATOM 770 CB VAL A 55 6.368 -2.511 -4.947 1.00 0.00 C ATOM 771 CG1 VAL A 55 6.267 -1.532 -6.106 1.00 0.00 C ATOM 772 CG2 VAL A 55 6.685 -1.783 -3.649 1.00 0.00 C ATOM 0 H VAL A 55 4.007 -2.280 -3.322 1.00 0.00 H new ATOM 0 HA VAL A 55 4.765 -3.688 -5.787 1.00 0.00 H new ATOM 0 HB VAL A 55 7.183 -3.203 -5.158 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.198 -0.971 -6.190 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.089 -2.080 -7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.442 -0.842 -5.929 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.610 -1.218 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.871 -1.100 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.802 -2.509 -2.844 1.00 0.00 H new ATOM 782 N HIS A 56 6.144 -5.433 -4.317 1.00 0.00 N ATOM 783 CA HIS A 56 6.464 -6.613 -3.521 1.00 0.00 C ATOM 784 C HIS A 56 7.514 -6.287 -2.464 1.00 0.00 C ATOM 785 O HIS A 56 8.209 -5.275 -2.555 1.00 0.00 O ATOM 786 CB HIS A 56 6.964 -7.742 -4.423 1.00 0.00 C ATOM 787 CG HIS A 56 5.916 -8.279 -5.348 1.00 0.00 C ATOM 788 ND1 HIS A 56 5.657 -7.735 -6.589 1.00 0.00 N ATOM 789 CD2 HIS A 56 5.059 -9.318 -5.208 1.00 0.00 C ATOM 790 CE1 HIS A 56 4.686 -8.416 -7.172 1.00 0.00 C ATOM 791 NE2 HIS A 56 4.306 -9.382 -6.355 1.00 0.00 N ATOM 0 H HIS A 56 6.612 -5.396 -5.223 1.00 0.00 H new ATOM 0 HA HIS A 56 5.555 -6.938 -3.016 1.00 0.00 H new ATOM 0 HB2 HIS A 56 7.806 -7.379 -5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 56 7.338 -8.555 -3.800 1.00 0.00 H new ATOM 0 HD2 HIS A 56 4.982 -9.974 -4.354 1.00 0.00 H new ATOM 0 HE1 HIS A 56 4.273 -8.217 -8.150 1.00 0.00 H new ATOM 0 HE2 HIS A 56 3.572 -10.065 -6.545 1.00 0.00 H new ATOM 799 N LYS A 57 7.625 -7.151 -1.461 1.00 0.00 N ATOM 800 CA LYS A 57 8.590 -6.957 -0.386 1.00 0.00 C ATOM 801 C LYS A 57 10.011 -6.888 -0.936 1.00 0.00 C ATOM 802 O LYS A 57 10.846 -6.138 -0.431 1.00 0.00 O ATOM 803 CB LYS A 57 8.482 -8.091 0.636 1.00 0.00 C ATOM 804 CG LYS A 57 8.977 -7.711 2.021 1.00 0.00 C ATOM 805 CD LYS A 57 8.457 -8.668 3.080 1.00 0.00 C ATOM 806 CE LYS A 57 8.805 -8.191 4.482 1.00 0.00 C ATOM 807 NZ LYS A 57 10.253 -8.359 4.782 1.00 0.00 N ATOM 0 H LYS A 57 7.057 -7.994 -1.370 1.00 0.00 H new ATOM 0 HA LYS A 57 8.363 -6.011 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.441 -8.408 0.706 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.053 -8.947 0.278 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.067 -7.712 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 57 8.657 -6.696 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.375 -8.764 2.985 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.881 -9.659 2.916 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.532 -7.141 4.586 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.216 -8.747 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 10.449 -8.022 5.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.509 -9.364 4.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.815 -7.808 4.102 1.00 0.00 H new ATOM 821 N GLN A 58 10.277 -7.673 -1.975 1.00 0.00 N ATOM 822 CA GLN A 58 11.597 -7.700 -2.593 1.00 0.00 C ATOM 823 C GLN A 58 11.703 -6.650 -3.695 1.00 0.00 C ATOM 824 O GLN A 58 12.776 -6.434 -4.260 1.00 0.00 O ATOM 825 CB GLN A 58 11.888 -9.088 -3.166 1.00 0.00 C ATOM 826 CG GLN A 58 11.019 -9.448 -4.360 1.00 0.00 C ATOM 827 CD GLN A 58 11.618 -10.555 -5.205 1.00 0.00 C ATOM 828 OE1 GLN A 58 12.327 -10.294 -6.178 1.00 0.00 O ATOM 829 NE2 GLN A 58 11.335 -11.799 -4.839 1.00 0.00 N ATOM 0 H GLN A 58 9.596 -8.298 -2.406 1.00 0.00 H new ATOM 0 HA GLN A 58 12.335 -7.471 -1.824 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.936 -9.137 -3.462 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.742 -9.833 -2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 58 10.035 -9.757 -4.008 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.873 -8.562 -4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 58 10.743 -11.969 -4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.709 -12.585 -5.371 1.00 0.00 H new ATOM 838 N CYS A 59 10.584 -6.001 -3.996 1.00 0.00 N ATOM 839 CA CYS A 59 10.549 -4.974 -5.031 1.00 0.00 C ATOM 840 C CYS A 59 10.923 -3.611 -4.457 1.00 0.00 C ATOM 841 O CYS A 59 11.608 -2.819 -5.104 1.00 0.00 O ATOM 842 CB CYS A 59 9.160 -4.908 -5.667 1.00 0.00 C ATOM 843 SG CYS A 59 8.933 -6.039 -7.077 1.00 0.00 S ATOM 0 H CYS A 59 9.688 -6.168 -3.538 1.00 0.00 H new ATOM 0 HA CYS A 59 11.279 -5.239 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.413 -5.137 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.973 -3.887 -6.000 1.00 0.00 H new ATOM 848 N VAL A 60 10.469 -3.344 -3.236 1.00 0.00 N ATOM 849 CA VAL A 60 10.757 -2.077 -2.573 1.00 0.00 C ATOM 850 C VAL A 60 12.258 -1.820 -2.508 1.00 0.00 C ATOM 851 O VAL A 60 12.715 -0.695 -2.713 1.00 0.00 O ATOM 852 CB VAL A 60 10.179 -2.047 -1.146 1.00 0.00 C ATOM 853 CG1 VAL A 60 8.660 -1.979 -1.186 1.00 0.00 C ATOM 854 CG2 VAL A 60 10.646 -3.261 -0.357 1.00 0.00 C ATOM 0 H VAL A 60 9.900 -3.988 -2.686 1.00 0.00 H new ATOM 0 HA VAL A 60 10.283 -1.294 -3.165 1.00 0.00 H new ATOM 0 HB VAL A 60 10.545 -1.152 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.270 -1.959 -0.168 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.350 -1.076 -1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.270 -2.854 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.228 -3.224 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.310 -4.170 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.734 -3.260 -0.298 1.00 0.00 H new ATOM 864 N ILE A 61 13.021 -2.870 -2.221 1.00 0.00 N ATOM 865 CA ILE A 61 14.471 -2.757 -2.130 1.00 0.00 C ATOM 866 C ILE A 61 15.059 -2.174 -3.411 1.00 0.00 C ATOM 867 O ILE A 61 16.042 -1.435 -3.374 1.00 0.00 O ATOM 868 CB ILE A 61 15.126 -4.124 -1.854 1.00 0.00 C ATOM 869 CG1 ILE A 61 16.647 -4.020 -1.981 1.00 0.00 C ATOM 870 CG2 ILE A 61 14.579 -5.175 -2.808 1.00 0.00 C ATOM 871 CD1 ILE A 61 17.161 -4.345 -3.366 1.00 0.00 C ATOM 0 H ILE A 61 12.659 -3.808 -2.048 1.00 0.00 H new ATOM 0 HA ILE A 61 14.683 -2.086 -1.297 1.00 0.00 H new ATOM 0 HB ILE A 61 14.886 -4.427 -0.835 1.00 0.00 H new ATOM 0 HG12 ILE A 61 16.958 -3.010 -1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 61 17.111 -4.696 -1.262 1.00 0.00 H new ATOM 0 HG21 ILE A 61 15.051 -6.135 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 61 13.501 -5.264 -2.672 1.00 0.00 H new ATOM 0 HG23 ILE A 61 14.792 -4.880 -3.835 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.247 -4.251 -3.383 1.00 0.00 H new ATOM 0 HD12 ILE A 61 16.881 -5.365 -3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 61 16.726 -3.653 -4.087 1.00 0.00 H new ATOM 883 N ASN A 62 14.448 -2.511 -4.542 1.00 0.00 N ATOM 884 CA ASN A 62 14.910 -2.020 -5.835 1.00 0.00 C ATOM 885 C ASN A 62 14.420 -0.597 -6.083 1.00 0.00 C ATOM 886 O ASN A 62 15.180 0.264 -6.528 1.00 0.00 O ATOM 887 CB ASN A 62 14.425 -2.941 -6.957 1.00 0.00 C ATOM 888 CG ASN A 62 15.038 -4.326 -6.874 1.00 0.00 C ATOM 889 OD1 ASN A 62 16.249 -4.490 -7.025 1.00 0.00 O ATOM 890 ND2 ASN A 62 14.203 -5.329 -6.633 1.00 0.00 N ATOM 0 H ASN A 62 13.632 -3.122 -4.589 1.00 0.00 H new ATOM 0 HA ASN A 62 16.000 -2.014 -5.825 1.00 0.00 H new ATOM 0 HB2 ASN A 62 13.339 -3.024 -6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 62 14.670 -2.495 -7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 62 14.558 -6.283 -6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 62 13.207 -5.146 -6.515 1.00 0.00 H new ATOM 897 N VAL A 63 13.146 -0.356 -5.792 1.00 0.00 N ATOM 898 CA VAL A 63 12.554 0.963 -5.982 1.00 0.00 C ATOM 899 C VAL A 63 13.500 2.062 -5.513 1.00 0.00 C ATOM 900 O VAL A 63 14.177 1.939 -4.492 1.00 0.00 O ATOM 901 CB VAL A 63 11.219 1.093 -5.225 1.00 0.00 C ATOM 902 CG1 VAL A 63 10.678 2.510 -5.335 1.00 0.00 C ATOM 903 CG2 VAL A 63 10.208 0.086 -5.753 1.00 0.00 C ATOM 0 H VAL A 63 12.503 -1.057 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 63 12.370 1.077 -7.050 1.00 0.00 H new ATOM 0 HB VAL A 63 11.397 0.878 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 63 9.734 2.582 -4.794 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.397 3.208 -4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 63 10.515 2.757 -6.384 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.270 0.191 -5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 63 10.033 0.268 -6.813 1.00 0.00 H new ATOM 0 HG23 VAL A 63 10.595 -0.924 -5.617 1.00 0.00 H new ATOM 913 N PRO A 64 13.551 3.165 -6.275 1.00 0.00 N ATOM 914 CA PRO A 64 14.410 4.309 -5.957 1.00 0.00 C ATOM 915 C PRO A 64 13.934 5.065 -4.721 1.00 0.00 C ATOM 916 O PRO A 64 12.827 5.603 -4.700 1.00 0.00 O ATOM 917 CB PRO A 64 14.299 5.193 -7.201 1.00 0.00 C ATOM 918 CG PRO A 64 12.982 4.839 -7.801 1.00 0.00 C ATOM 919 CD PRO A 64 12.771 3.380 -7.506 1.00 0.00 C ATOM 0 HA PRO A 64 15.430 4.001 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 64 14.344 6.250 -6.940 1.00 0.00 H new ATOM 0 HB3 PRO A 64 15.116 5.001 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.183 5.443 -7.372 1.00 0.00 H new ATOM 0 HG3 PRO A 64 12.980 5.024 -8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 64 11.716 3.148 -7.359 1.00 0.00 H new ATOM 0 HD3 PRO A 64 13.125 2.750 -8.322 1.00 0.00 H new ATOM 927 N SER A 65 14.778 5.103 -3.695 1.00 0.00 N ATOM 928 CA SER A 65 14.441 5.792 -2.454 1.00 0.00 C ATOM 929 C SER A 65 13.513 6.972 -2.723 1.00 0.00 C ATOM 930 O SER A 65 12.461 7.106 -2.095 1.00 0.00 O ATOM 931 CB SER A 65 15.712 6.277 -1.755 1.00 0.00 C ATOM 932 OG SER A 65 15.416 7.274 -0.792 1.00 0.00 O ATOM 0 H SER A 65 15.699 4.665 -3.698 1.00 0.00 H new ATOM 0 HA SER A 65 13.924 5.086 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 65 16.208 5.436 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.407 6.676 -2.494 1.00 0.00 H new ATOM 0 HG SER A 65 16.245 7.566 -0.358 1.00 0.00 H new ATOM 938 N LEU A 66 13.908 7.827 -3.659 1.00 0.00 N ATOM 939 CA LEU A 66 13.113 8.998 -4.013 1.00 0.00 C ATOM 940 C LEU A 66 11.646 8.622 -4.202 1.00 0.00 C ATOM 941 O LEU A 66 11.325 7.485 -4.549 1.00 0.00 O ATOM 942 CB LEU A 66 13.655 9.641 -5.290 1.00 0.00 C ATOM 943 CG LEU A 66 13.049 9.142 -6.602 1.00 0.00 C ATOM 944 CD1 LEU A 66 11.632 9.669 -6.770 1.00 0.00 C ATOM 945 CD2 LEU A 66 13.917 9.557 -7.782 1.00 0.00 C ATOM 0 H LEU A 66 14.775 7.732 -4.187 1.00 0.00 H new ATOM 0 HA LEU A 66 13.184 9.715 -3.195 1.00 0.00 H new ATOM 0 HB2 LEU A 66 13.497 10.718 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 66 14.732 9.479 -5.326 1.00 0.00 H new ATOM 0 HG LEU A 66 13.009 8.053 -6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.217 9.304 -7.709 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.014 9.323 -5.941 1.00 0.00 H new ATOM 0 HD13 LEU A 66 11.648 10.759 -6.780 1.00 0.00 H new ATOM 0 HD21 LEU A 66 13.471 9.193 -8.708 1.00 0.00 H new ATOM 0 HD22 LEU A 66 13.989 10.644 -7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 66 14.914 9.131 -7.668 1.00 0.00 H new ATOM 957 N CYS A 67 10.760 9.586 -3.974 1.00 0.00 N ATOM 958 CA CYS A 67 9.328 9.359 -4.121 1.00 0.00 C ATOM 959 C CYS A 67 8.572 10.682 -4.197 1.00 0.00 C ATOM 960 O CYS A 67 8.988 11.681 -3.611 1.00 0.00 O ATOM 961 CB CYS A 67 8.800 8.524 -2.952 1.00 0.00 C ATOM 962 SG CYS A 67 6.987 8.354 -2.918 1.00 0.00 S ATOM 0 H CYS A 67 11.009 10.532 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 67 9.166 8.814 -5.051 1.00 0.00 H new ATOM 0 HB2 CYS A 67 9.246 7.531 -2.998 1.00 0.00 H new ATOM 0 HB3 CYS A 67 9.129 8.978 -2.017 1.00 0.00 H new ATOM 967 N GLY A 68 7.458 10.681 -4.923 1.00 0.00 N ATOM 968 CA GLY A 68 6.662 11.886 -5.062 1.00 0.00 C ATOM 969 C GLY A 68 6.465 12.286 -6.511 1.00 0.00 C ATOM 970 O GLY A 68 6.895 13.360 -6.929 1.00 0.00 O ATOM 0 H GLY A 68 7.093 9.867 -5.417 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.689 11.731 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.146 12.702 -4.526 1.00 0.00 H new ATOM 974 N MET A 69 5.814 11.419 -7.280 1.00 0.00 N ATOM 975 CA MET A 69 5.561 11.688 -8.690 1.00 0.00 C ATOM 976 C MET A 69 4.696 10.593 -9.306 1.00 0.00 C ATOM 977 O MET A 69 4.918 9.405 -9.067 1.00 0.00 O ATOM 978 CB MET A 69 6.882 11.801 -9.454 1.00 0.00 C ATOM 979 CG MET A 69 7.776 10.581 -9.307 1.00 0.00 C ATOM 980 SD MET A 69 8.471 10.425 -7.651 1.00 0.00 S ATOM 981 CE MET A 69 9.614 11.804 -7.632 1.00 0.00 C ATOM 0 H MET A 69 5.452 10.524 -6.950 1.00 0.00 H new ATOM 0 HA MET A 69 5.025 12.634 -8.763 1.00 0.00 H new ATOM 0 HB2 MET A 69 6.668 11.959 -10.511 1.00 0.00 H new ATOM 0 HB3 MET A 69 7.421 12.681 -9.103 1.00 0.00 H new ATOM 0 HG2 MET A 69 7.202 9.685 -9.542 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.587 10.640 -10.033 1.00 0.00 H new ATOM 0 HE1 MET A 69 10.004 11.939 -6.623 1.00 0.00 H new ATOM 0 HE2 MET A 69 10.439 11.603 -8.316 1.00 0.00 H new ATOM 0 HE3 MET A 69 9.096 12.710 -7.945 1.00 0.00 H new ATOM 991 N ASP A 70 3.711 10.999 -10.100 1.00 0.00 N ATOM 992 CA ASP A 70 2.814 10.052 -10.751 1.00 0.00 C ATOM 993 C ASP A 70 1.879 10.768 -11.721 1.00 0.00 C ATOM 994 O ASP A 70 1.234 11.754 -11.364 1.00 0.00 O ATOM 995 CB ASP A 70 1.998 9.289 -9.706 1.00 0.00 C ATOM 996 CG ASP A 70 1.457 7.977 -10.239 1.00 0.00 C ATOM 997 OD1 ASP A 70 1.292 7.860 -11.471 1.00 0.00 O ATOM 998 OD2 ASP A 70 1.198 7.066 -9.424 1.00 0.00 O ATOM 0 H ASP A 70 3.514 11.978 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 70 3.421 9.344 -11.315 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.622 9.094 -8.834 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.168 9.912 -9.372 1.00 0.00 H new ATOM 1003 N HIS A 71 1.811 10.265 -12.949 1.00 0.00 N ATOM 1004 CA HIS A 71 0.955 10.857 -13.971 1.00 0.00 C ATOM 1005 C HIS A 71 -0.403 11.238 -13.389 1.00 0.00 C ATOM 1006 O HIS A 71 -0.762 12.415 -13.341 1.00 0.00 O ATOM 1007 CB HIS A 71 0.768 9.885 -15.136 1.00 0.00 C ATOM 1008 CG HIS A 71 -0.108 10.419 -16.228 1.00 0.00 C ATOM 1009 ND1 HIS A 71 0.255 10.405 -17.558 1.00 0.00 N ATOM 1010 CD2 HIS A 71 -1.337 10.982 -16.180 1.00 0.00 C ATOM 1011 CE1 HIS A 71 -0.712 10.939 -18.281 1.00 0.00 C ATOM 1012 NE2 HIS A 71 -1.691 11.297 -17.469 1.00 0.00 N ATOM 0 H HIS A 71 2.338 9.449 -13.261 1.00 0.00 H new ATOM 0 HA HIS A 71 1.441 11.762 -14.337 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.744 9.638 -15.553 1.00 0.00 H new ATOM 0 HB3 HIS A 71 0.339 8.957 -14.759 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -1.929 11.152 -15.293 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.704 11.062 -19.354 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -2.567 11.736 -17.753 1.00 0.00 H new ATOM 1020 N THR A 72 -1.155 10.235 -12.946 1.00 0.00 N ATOM 1021 CA THR A 72 -2.473 10.464 -12.369 1.00 0.00 C ATOM 1022 C THR A 72 -2.409 10.493 -10.846 1.00 0.00 C ATOM 1023 O THR A 72 -1.671 9.724 -10.233 1.00 0.00 O ATOM 1024 CB THR A 72 -3.475 9.381 -12.809 1.00 0.00 C ATOM 1025 OG1 THR A 72 -3.553 9.336 -14.238 1.00 0.00 O ATOM 1026 CG2 THR A 72 -4.855 9.652 -12.229 1.00 0.00 C ATOM 0 H THR A 72 -0.873 9.255 -12.976 1.00 0.00 H new ATOM 0 HA THR A 72 -2.814 11.433 -12.734 1.00 0.00 H new ATOM 0 HB THR A 72 -3.123 8.420 -12.435 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.191 8.643 -14.509 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.545 8.874 -12.554 1.00 0.00 H new ATOM 0 HG22 THR A 72 -4.798 9.655 -11.140 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.212 10.622 -12.577 1.00 0.00 H new ATOM 1034 N GLU A 73 -3.187 11.386 -10.243 1.00 0.00 N ATOM 1035 CA GLU A 73 -3.218 11.514 -8.790 1.00 0.00 C ATOM 1036 C GLU A 73 -4.565 11.063 -8.232 1.00 0.00 C ATOM 1037 O GLU A 73 -4.660 10.627 -7.085 1.00 0.00 O ATOM 1038 CB GLU A 73 -2.941 12.961 -8.378 1.00 0.00 C ATOM 1039 CG GLU A 73 -1.495 13.384 -8.571 1.00 0.00 C ATOM 1040 CD GLU A 73 -1.322 14.890 -8.575 1.00 0.00 C ATOM 1041 OE1 GLU A 73 -1.412 15.495 -9.664 1.00 0.00 O ATOM 1042 OE2 GLU A 73 -1.098 15.464 -7.488 1.00 0.00 O ATOM 0 H GLU A 73 -3.804 12.031 -10.737 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.441 10.871 -8.377 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.585 13.624 -8.956 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.211 13.089 -7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.886 12.954 -7.776 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.124 12.977 -9.512 1.00 0.00 H new ATOM 1049 N LYS A 74 -5.604 11.171 -9.053 1.00 0.00 N ATOM 1050 CA LYS A 74 -6.947 10.775 -8.644 1.00 0.00 C ATOM 1051 C LYS A 74 -7.805 10.430 -9.857 1.00 0.00 C ATOM 1052 O LYS A 74 -7.492 10.820 -10.981 1.00 0.00 O ATOM 1053 CB LYS A 74 -7.609 11.895 -7.839 1.00 0.00 C ATOM 1054 CG LYS A 74 -8.735 11.415 -6.940 1.00 0.00 C ATOM 1055 CD LYS A 74 -9.174 12.497 -5.969 1.00 0.00 C ATOM 1056 CE LYS A 74 -10.106 13.499 -6.634 1.00 0.00 C ATOM 1057 NZ LYS A 74 -9.354 14.547 -7.377 1.00 0.00 N ATOM 0 H LYS A 74 -5.542 11.530 -10.006 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.862 9.888 -8.017 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.853 12.388 -7.228 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.000 12.644 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -9.584 11.108 -7.551 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.408 10.537 -6.384 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.678 12.040 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.298 13.016 -5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.773 12.976 -7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.733 13.970 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.802 15.472 -7.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -8.372 14.576 -7.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.362 14.325 -8.393 1.00 0.00 H new ATOM 1071 N ARG A 75 -8.889 9.699 -9.620 1.00 0.00 N ATOM 1072 CA ARG A 75 -9.793 9.303 -10.693 1.00 0.00 C ATOM 1073 C ARG A 75 -11.140 10.007 -10.558 1.00 0.00 C ATOM 1074 O ARG A 75 -11.701 10.092 -9.466 1.00 0.00 O ATOM 1075 CB ARG A 75 -9.996 7.786 -10.684 1.00 0.00 C ATOM 1076 CG ARG A 75 -8.888 7.020 -11.389 1.00 0.00 C ATOM 1077 CD ARG A 75 -9.021 5.521 -11.170 1.00 0.00 C ATOM 1078 NE ARG A 75 -8.537 5.116 -9.853 1.00 0.00 N ATOM 1079 CZ ARG A 75 -8.631 3.876 -9.385 1.00 0.00 C ATOM 1080 NH1 ARG A 75 -9.187 2.925 -10.123 1.00 0.00 N ATOM 1081 NH2 ARG A 75 -8.167 3.585 -8.176 1.00 0.00 N ATOM 0 H ARG A 75 -9.163 9.369 -8.694 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.342 9.598 -11.641 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -10.064 7.443 -9.652 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -10.948 7.552 -11.161 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -8.917 7.237 -12.457 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.919 7.358 -11.021 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.066 5.230 -11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.462 4.991 -11.941 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.103 5.824 -9.260 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.544 3.144 -11.053 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.258 1.974 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.738 4.314 -7.605 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.240 2.633 -7.817 1.00 0.00 H new ATOM 1095 N GLY A 76 -11.653 10.512 -11.676 1.00 0.00 N ATOM 1096 CA GLY A 76 -12.929 11.203 -11.660 1.00 0.00 C ATOM 1097 C GLY A 76 -13.519 11.362 -13.048 1.00 0.00 C ATOM 1098 O GLY A 76 -12.920 10.939 -14.036 1.00 0.00 O ATOM 0 H GLY A 76 -11.208 10.455 -12.592 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -13.629 10.652 -11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.801 12.187 -11.208 1.00 0.00 H new ATOM 1102 N ARG A 77 -14.697 11.973 -13.121 1.00 0.00 N ATOM 1103 CA ARG A 77 -15.370 12.184 -14.397 1.00 0.00 C ATOM 1104 C ARG A 77 -15.147 13.607 -14.901 1.00 0.00 C ATOM 1105 O ARG A 77 -15.509 14.576 -14.233 1.00 0.00 O ATOM 1106 CB ARG A 77 -16.868 11.909 -14.260 1.00 0.00 C ATOM 1107 CG ARG A 77 -17.246 10.457 -14.503 1.00 0.00 C ATOM 1108 CD ARG A 77 -17.015 10.056 -15.951 1.00 0.00 C ATOM 1109 NE ARG A 77 -17.444 8.685 -16.215 1.00 0.00 N ATOM 1110 CZ ARG A 77 -18.707 8.341 -16.441 1.00 0.00 C ATOM 1111 NH1 ARG A 77 -19.660 9.263 -16.435 1.00 0.00 N ATOM 1112 NH2 ARG A 77 -19.019 7.072 -16.673 1.00 0.00 N ATOM 0 H ARG A 77 -15.205 12.330 -12.312 1.00 0.00 H new ATOM 0 HA ARG A 77 -14.945 11.490 -15.122 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.192 12.197 -13.260 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -17.410 12.539 -14.965 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.660 9.813 -13.848 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -18.294 10.305 -14.245 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -17.557 10.738 -16.607 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -15.956 10.157 -16.191 1.00 0.00 H new ATOM 0 HE ARG A 77 -16.735 7.952 -16.226 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -19.424 10.239 -16.257 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.629 8.996 -16.609 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -18.289 6.360 -16.678 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -19.989 6.809 -16.846 1.00 0.00 H new ATOM 1126 N ILE A 78 -14.549 13.724 -16.081 1.00 0.00 N ATOM 1127 CA ILE A 78 -14.278 15.028 -16.674 1.00 0.00 C ATOM 1128 C ILE A 78 -15.288 15.355 -17.768 1.00 0.00 C ATOM 1129 O ILE A 78 -15.597 14.515 -18.614 1.00 0.00 O ATOM 1130 CB ILE A 78 -12.858 15.094 -17.266 1.00 0.00 C ATOM 1131 CG1 ILE A 78 -11.816 14.803 -16.183 1.00 0.00 C ATOM 1132 CG2 ILE A 78 -12.609 16.456 -17.896 1.00 0.00 C ATOM 1133 CD1 ILE A 78 -11.542 13.329 -15.988 1.00 0.00 C ATOM 0 H ILE A 78 -14.243 12.932 -16.646 1.00 0.00 H new ATOM 0 HA ILE A 78 -14.363 15.762 -15.873 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.769 14.335 -18.043 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.884 15.306 -16.442 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.156 15.229 -15.239 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.601 16.487 -18.310 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -13.334 16.627 -18.692 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -12.714 17.232 -17.138 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.794 13.198 -15.206 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.463 12.823 -15.698 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -11.171 12.902 -16.920 1.00 0.00 H new ATOM 1145 N TYR A 79 -15.799 16.581 -17.747 1.00 0.00 N ATOM 1146 CA TYR A 79 -16.775 17.020 -18.737 1.00 0.00 C ATOM 1147 C TYR A 79 -16.129 17.938 -19.770 1.00 0.00 C ATOM 1148 O TYR A 79 -16.686 18.976 -20.131 1.00 0.00 O ATOM 1149 CB TYR A 79 -17.938 17.741 -18.053 1.00 0.00 C ATOM 1150 CG TYR A 79 -18.753 16.850 -17.144 1.00 0.00 C ATOM 1151 CD1 TYR A 79 -19.612 15.891 -17.666 1.00 0.00 C ATOM 1152 CD2 TYR A 79 -18.663 16.966 -15.762 1.00 0.00 C ATOM 1153 CE1 TYR A 79 -20.359 15.075 -16.839 1.00 0.00 C ATOM 1154 CE2 TYR A 79 -19.406 16.153 -14.927 1.00 0.00 C ATOM 1155 CZ TYR A 79 -20.253 15.210 -15.471 1.00 0.00 C ATOM 1156 OH TYR A 79 -20.994 14.398 -14.643 1.00 0.00 O ATOM 0 H TYR A 79 -15.553 17.289 -17.055 1.00 0.00 H new ATOM 0 HA TYR A 79 -17.156 16.137 -19.251 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -17.546 18.576 -17.473 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -18.592 18.163 -18.816 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -19.697 15.782 -18.737 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -18.001 17.704 -15.333 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -21.023 14.335 -17.262 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -19.324 16.255 -13.855 1.00 0.00 H new ATOM 0 HH TYR A 79 -20.802 14.621 -13.708 1.00 0.00 H new ATOM 1166 N LEU A 80 -14.951 17.548 -20.243 1.00 0.00 N ATOM 1167 CA LEU A 80 -14.226 18.334 -21.236 1.00 0.00 C ATOM 1168 C LEU A 80 -14.392 19.828 -20.974 1.00 0.00 C ATOM 1169 O LEU A 80 -14.606 20.612 -21.899 1.00 0.00 O ATOM 1170 CB LEU A 80 -14.719 17.994 -22.643 1.00 0.00 C ATOM 1171 CG LEU A 80 -13.856 18.503 -23.798 1.00 0.00 C ATOM 1172 CD1 LEU A 80 -12.514 17.789 -23.816 1.00 0.00 C ATOM 1173 CD2 LEU A 80 -14.578 18.319 -25.125 1.00 0.00 C ATOM 0 H LEU A 80 -14.477 16.692 -19.955 1.00 0.00 H new ATOM 0 HA LEU A 80 -13.168 18.085 -21.159 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.799 16.910 -22.726 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.724 18.398 -22.762 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.676 19.568 -23.650 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.913 18.164 -24.645 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.992 17.972 -22.877 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -12.673 16.718 -23.939 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.949 18.687 -25.936 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -14.789 17.261 -25.281 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -15.514 18.877 -25.110 1.00 0.00 H new ATOM 1185 N LYS A 81 -14.291 20.216 -19.707 1.00 0.00 N ATOM 1186 CA LYS A 81 -14.426 21.616 -19.322 1.00 0.00 C ATOM 1187 C LYS A 81 -13.297 22.454 -19.914 1.00 0.00 C ATOM 1188 O LYS A 81 -12.181 22.463 -19.397 1.00 0.00 O ATOM 1189 CB LYS A 81 -14.429 21.749 -17.798 1.00 0.00 C ATOM 1190 CG LYS A 81 -15.258 22.916 -17.290 1.00 0.00 C ATOM 1191 CD LYS A 81 -14.581 24.246 -17.574 1.00 0.00 C ATOM 1192 CE LYS A 81 -13.404 24.483 -16.639 1.00 0.00 C ATOM 1193 NZ LYS A 81 -13.844 24.999 -15.314 1.00 0.00 N ATOM 0 H LYS A 81 -14.116 19.580 -18.929 1.00 0.00 H new ATOM 0 HA LYS A 81 -15.373 21.985 -19.715 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.811 20.826 -17.362 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.403 21.865 -17.450 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -16.240 22.899 -17.762 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.418 22.810 -16.217 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.236 24.266 -18.608 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.304 25.054 -17.463 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.856 23.551 -16.502 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.715 25.194 -17.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.013 25.148 -14.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.345 25.901 -15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -14.481 24.309 -14.867 1.00 0.00 H new ATOM 1207 N ALA A 82 -13.597 23.158 -21.001 1.00 0.00 N ATOM 1208 CA ALA A 82 -12.609 24.002 -21.661 1.00 0.00 C ATOM 1209 C ALA A 82 -12.911 25.480 -21.437 1.00 0.00 C ATOM 1210 O ALA A 82 -13.975 25.834 -20.930 1.00 0.00 O ATOM 1211 CB ALA A 82 -12.559 23.692 -23.150 1.00 0.00 C ATOM 0 H ALA A 82 -14.516 23.160 -21.443 1.00 0.00 H new ATOM 0 HA ALA A 82 -11.634 23.787 -21.223 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.817 24.330 -23.630 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -12.287 22.646 -23.295 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -13.537 23.877 -23.593 1.00 0.00 H new ATOM 1217 N GLU A 83 -11.968 26.336 -21.816 1.00 0.00 N ATOM 1218 CA GLU A 83 -12.135 27.776 -21.654 1.00 0.00 C ATOM 1219 C GLU A 83 -11.564 28.528 -22.853 1.00 0.00 C ATOM 1220 O GLU A 83 -11.021 27.924 -23.778 1.00 0.00 O ATOM 1221 CB GLU A 83 -11.453 28.249 -20.369 1.00 0.00 C ATOM 1222 CG GLU A 83 -11.814 27.421 -19.147 1.00 0.00 C ATOM 1223 CD GLU A 83 -10.878 26.246 -18.942 1.00 0.00 C ATOM 1224 OE1 GLU A 83 -9.813 26.438 -18.319 1.00 0.00 O ATOM 1225 OE2 GLU A 83 -11.211 25.134 -19.404 1.00 0.00 O ATOM 0 H GLU A 83 -11.081 26.058 -22.237 1.00 0.00 H new ATOM 0 HA GLU A 83 -13.202 27.988 -21.589 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.373 28.221 -20.510 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.724 29.289 -20.186 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -11.792 28.057 -18.262 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -12.835 27.054 -19.250 1.00 0.00 H new ATOM 1232 N VAL A 84 -11.693 29.851 -22.830 1.00 0.00 N ATOM 1233 CA VAL A 84 -11.190 30.687 -23.914 1.00 0.00 C ATOM 1234 C VAL A 84 -11.392 30.014 -25.266 1.00 0.00 C ATOM 1235 O VAL A 84 -10.563 30.144 -26.166 1.00 0.00 O ATOM 1236 CB VAL A 84 -9.694 31.005 -23.729 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -8.855 29.748 -23.905 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -9.256 32.088 -24.703 1.00 0.00 C ATOM 0 H VAL A 84 -12.141 30.367 -22.073 1.00 0.00 H new ATOM 0 HA VAL A 84 -11.758 31.617 -23.886 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.542 31.376 -22.715 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.801 29.992 -23.771 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.153 29.005 -23.165 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.009 29.345 -24.906 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -8.197 32.300 -24.559 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.422 31.747 -25.725 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -9.835 32.994 -24.524 1.00 0.00 H new ATOM 1248 N ALA A 85 -12.500 29.293 -25.402 1.00 0.00 N ATOM 1249 CA ALA A 85 -12.813 28.601 -26.646 1.00 0.00 C ATOM 1250 C ALA A 85 -12.316 29.389 -27.853 1.00 0.00 C ATOM 1251 O ALA A 85 -11.478 28.883 -28.598 1.00 0.00 O ATOM 1252 CB ALA A 85 -14.312 28.358 -26.753 1.00 0.00 C ATOM 0 H ALA A 85 -13.196 29.173 -24.666 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.300 27.639 -26.636 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.531 27.840 -27.687 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.642 27.747 -25.913 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.838 29.313 -26.735 1.00 0.00 H new TER 1258 ALA A 85 HETATM 1259 ZN ZN A 201 6.369 6.335 -2.255 1.00 0.00 ZN HETATM 1260 ZN ZN A 401 6.820 -6.491 -7.752 1.00 0.00 ZN