USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 403 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 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 8 HIS : no HD1:sc= -0.77 X(o=-0.6,f=-1) USER MOD Set 1.2: A 28 SER OG : rot -46:sc= 0.17 USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.073 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0703 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= -0.0696 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 75:sc= 1.31 USER MOD Single : A 31 TYR OH : rot 15:sc= -0.933 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl -147:sc= 0 (180deg=-1.46!) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.104 3.339 20.373 1.00 0.00 N ATOM 2 CA GLY A 1 -6.168 4.194 19.667 1.00 0.00 C ATOM 3 C GLY A 1 -6.794 4.871 18.465 1.00 0.00 C ATOM 4 O GLY A 1 -7.852 4.456 17.991 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.390 3.797 21.262 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.943 3.179 19.780 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.650 2.427 20.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.788 4.953 20.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.313 3.601 19.342 1.00 0.00 H new ATOM 8 N SER A 2 -6.142 5.919 17.971 1.00 0.00 N ATOM 9 CA SER A 2 -6.645 6.659 16.820 1.00 0.00 C ATOM 10 C SER A 2 -6.416 5.878 15.529 1.00 0.00 C ATOM 11 O SER A 2 -7.351 5.623 14.771 1.00 0.00 O ATOM 12 CB SER A 2 -5.964 8.026 16.729 1.00 0.00 C ATOM 13 OG SER A 2 -5.239 8.315 17.912 1.00 0.00 O ATOM 0 H SER A 2 -5.264 6.274 18.350 1.00 0.00 H new ATOM 0 HA SER A 2 -7.717 6.803 16.952 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.290 8.044 15.872 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.714 8.799 16.561 1.00 0.00 H new ATOM 0 HG SER A 2 -4.812 9.193 17.828 1.00 0.00 H new ATOM 19 N SER A 3 -5.164 5.501 15.288 1.00 0.00 N ATOM 20 CA SER A 3 -4.810 4.752 14.088 1.00 0.00 C ATOM 21 C SER A 3 -3.998 3.510 14.442 1.00 0.00 C ATOM 22 O SER A 3 -2.820 3.601 14.783 1.00 0.00 O ATOM 23 CB SER A 3 -4.016 5.637 13.125 1.00 0.00 C ATOM 24 OG SER A 3 -4.848 6.152 12.101 1.00 0.00 O ATOM 0 H SER A 3 -4.379 5.702 15.907 1.00 0.00 H new ATOM 0 HA SER A 3 -5.733 4.435 13.602 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.560 6.460 13.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.204 5.060 12.682 1.00 0.00 H new ATOM 0 HG SER A 3 -4.317 6.715 11.500 1.00 0.00 H new ATOM 30 N GLY A 4 -4.639 2.348 14.360 1.00 0.00 N ATOM 31 CA GLY A 4 -3.963 1.103 14.675 1.00 0.00 C ATOM 32 C GLY A 4 -4.389 -0.034 13.768 1.00 0.00 C ATOM 33 O GLY A 4 -3.911 -0.150 12.640 1.00 0.00 O ATOM 0 H GLY A 4 -5.615 2.247 14.081 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -2.886 1.247 14.591 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.169 0.834 15.711 1.00 0.00 H new ATOM 37 N SER A 5 -5.290 -0.877 14.262 1.00 0.00 N ATOM 38 CA SER A 5 -5.777 -2.014 13.491 1.00 0.00 C ATOM 39 C SER A 5 -7.302 -2.063 13.498 1.00 0.00 C ATOM 40 O SER A 5 -7.899 -3.119 13.707 1.00 0.00 O ATOM 41 CB SER A 5 -5.211 -3.319 14.054 1.00 0.00 C ATOM 42 OG SER A 5 -3.803 -3.244 14.201 1.00 0.00 O ATOM 0 H SER A 5 -5.698 -0.794 15.193 1.00 0.00 H new ATOM 0 HA SER A 5 -5.440 -1.894 12.461 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.670 -3.531 15.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.467 -4.146 13.391 1.00 0.00 H new ATOM 0 HG SER A 5 -3.466 -4.090 14.564 1.00 0.00 H new ATOM 48 N SER A 6 -7.925 -0.912 13.268 1.00 0.00 N ATOM 49 CA SER A 6 -9.381 -0.821 13.251 1.00 0.00 C ATOM 50 C SER A 6 -9.956 -1.549 12.040 1.00 0.00 C ATOM 51 O SER A 6 -10.621 -2.575 12.176 1.00 0.00 O ATOM 52 CB SER A 6 -9.821 0.644 13.237 1.00 0.00 C ATOM 53 OG SER A 6 -11.028 0.806 12.512 1.00 0.00 O ATOM 0 H SER A 6 -7.445 -0.030 13.091 1.00 0.00 H new ATOM 0 HA SER A 6 -9.762 -1.298 14.154 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.957 0.996 14.260 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.039 1.258 12.790 1.00 0.00 H new ATOM 0 HG SER A 6 -11.290 1.750 12.519 1.00 0.00 H new ATOM 59 N GLY A 7 -9.696 -1.008 10.853 1.00 0.00 N ATOM 60 CA GLY A 7 -10.195 -1.618 9.635 1.00 0.00 C ATOM 61 C GLY A 7 -9.352 -1.269 8.424 1.00 0.00 C ATOM 62 O GLY A 7 -9.881 -1.014 7.342 1.00 0.00 O ATOM 0 H GLY A 7 -9.149 -0.158 10.714 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.218 -2.701 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.222 -1.294 9.465 1.00 0.00 H new ATOM 66 N HIS A 8 -8.035 -1.257 8.606 1.00 0.00 N ATOM 67 CA HIS A 8 -7.116 -0.936 7.520 1.00 0.00 C ATOM 68 C HIS A 8 -7.394 0.459 6.967 1.00 0.00 C ATOM 69 O HIS A 8 -8.336 1.127 7.392 1.00 0.00 O ATOM 70 CB HIS A 8 -7.232 -1.973 6.402 1.00 0.00 C ATOM 71 CG HIS A 8 -6.851 -3.357 6.828 1.00 0.00 C ATOM 72 ND1 HIS A 8 -7.519 -4.051 7.815 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.867 -4.178 6.393 1.00 0.00 C ATOM 74 CE1 HIS A 8 -6.960 -5.238 7.970 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.956 -5.340 7.118 1.00 0.00 N ATOM 0 H HIS A 8 -7.581 -1.466 9.495 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.102 -0.954 7.918 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.258 -1.985 6.033 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -6.597 -1.670 5.569 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.146 -3.959 5.619 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -7.271 -5.996 8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.346 -6.151 7.015 1.00 0.00 H new ATOM 83 N GLU A 9 -6.568 0.890 6.019 1.00 0.00 N ATOM 84 CA GLU A 9 -6.726 2.206 5.411 1.00 0.00 C ATOM 85 C GLU A 9 -7.722 2.156 4.256 1.00 0.00 C ATOM 86 O GLU A 9 -8.365 1.132 4.021 1.00 0.00 O ATOM 87 CB GLU A 9 -5.376 2.727 4.912 1.00 0.00 C ATOM 88 CG GLU A 9 -4.249 2.556 5.916 1.00 0.00 C ATOM 89 CD GLU A 9 -2.971 3.248 5.482 1.00 0.00 C ATOM 90 OE1 GLU A 9 -2.837 3.546 4.277 1.00 0.00 O ATOM 91 OE2 GLU A 9 -2.106 3.492 6.349 1.00 0.00 O ATOM 0 H GLU A 9 -5.784 0.348 5.656 1.00 0.00 H new ATOM 0 HA GLU A 9 -7.111 2.885 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.113 2.206 3.991 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.473 3.784 4.664 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.564 2.954 6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.052 1.493 6.058 1.00 0.00 H new ATOM 98 N ASP A 10 -7.845 3.268 3.540 1.00 0.00 N ATOM 99 CA ASP A 10 -8.762 3.351 2.409 1.00 0.00 C ATOM 100 C ASP A 10 -8.288 4.392 1.400 1.00 0.00 C ATOM 101 O ASP A 10 -9.087 4.957 0.652 1.00 0.00 O ATOM 102 CB ASP A 10 -10.171 3.697 2.893 1.00 0.00 C ATOM 103 CG ASP A 10 -10.902 2.494 3.455 1.00 0.00 C ATOM 104 OD1 ASP A 10 -11.025 1.482 2.733 1.00 0.00 O ATOM 105 OD2 ASP A 10 -11.350 2.563 4.619 1.00 0.00 O ATOM 0 H ASP A 10 -7.322 4.124 3.722 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.783 2.378 1.917 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.109 4.471 3.658 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.745 4.113 2.065 1.00 0.00 H new ATOM 110 N PHE A 11 -6.983 4.643 1.386 1.00 0.00 N ATOM 111 CA PHE A 11 -6.402 5.618 0.470 1.00 0.00 C ATOM 112 C PHE A 11 -5.005 5.187 0.031 1.00 0.00 C ATOM 113 O PHE A 11 -4.223 4.669 0.829 1.00 0.00 O ATOM 114 CB PHE A 11 -6.337 6.996 1.132 1.00 0.00 C ATOM 115 CG PHE A 11 -7.609 7.385 1.830 1.00 0.00 C ATOM 116 CD1 PHE A 11 -8.665 7.933 1.119 1.00 0.00 C ATOM 117 CD2 PHE A 11 -7.749 7.204 3.197 1.00 0.00 C ATOM 118 CE1 PHE A 11 -9.837 8.293 1.758 1.00 0.00 C ATOM 119 CE2 PHE A 11 -8.918 7.561 3.841 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.963 8.107 3.121 1.00 0.00 C ATOM 0 H PHE A 11 -6.308 4.185 1.998 1.00 0.00 H new ATOM 0 HA PHE A 11 -7.040 5.675 -0.412 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.519 7.006 1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.104 7.744 0.374 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -8.571 8.081 0.053 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.935 6.779 3.765 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -10.653 8.719 1.193 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.015 7.413 4.906 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.877 8.388 3.623 1.00 0.00 H new ATOM 130 N CYS A 12 -4.700 5.403 -1.244 1.00 0.00 N ATOM 131 CA CYS A 12 -3.399 5.037 -1.792 1.00 0.00 C ATOM 132 C CYS A 12 -2.270 5.611 -0.942 1.00 0.00 C ATOM 133 O CYS A 12 -2.326 6.763 -0.512 1.00 0.00 O ATOM 134 CB CYS A 12 -3.271 5.535 -3.233 1.00 0.00 C ATOM 135 SG CYS A 12 -1.790 4.926 -4.101 1.00 0.00 S ATOM 0 H CYS A 12 -5.336 5.830 -1.917 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.321 3.950 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.157 5.231 -3.791 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.255 6.625 -3.229 1.00 0.00 H new ATOM 140 N SER A 13 -1.245 4.799 -0.703 1.00 0.00 N ATOM 141 CA SER A 13 -0.103 5.224 0.098 1.00 0.00 C ATOM 142 C SER A 13 1.020 5.749 -0.791 1.00 0.00 C ATOM 143 O SER A 13 2.199 5.507 -0.531 1.00 0.00 O ATOM 144 CB SER A 13 0.409 4.063 0.952 1.00 0.00 C ATOM 145 OG SER A 13 0.708 4.491 2.269 1.00 0.00 O ATOM 0 H SER A 13 -1.182 3.843 -1.053 1.00 0.00 H new ATOM 0 HA SER A 13 -0.432 6.031 0.753 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.341 3.273 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.301 3.636 0.494 1.00 0.00 H new ATOM 0 HG SER A 13 1.032 3.730 2.795 1.00 0.00 H new ATOM 151 N VAL A 14 0.645 6.471 -1.843 1.00 0.00 N ATOM 152 CA VAL A 14 1.619 7.032 -2.772 1.00 0.00 C ATOM 153 C VAL A 14 1.107 8.329 -3.388 1.00 0.00 C ATOM 154 O VAL A 14 1.833 9.320 -3.469 1.00 0.00 O ATOM 155 CB VAL A 14 1.956 6.038 -3.900 1.00 0.00 C ATOM 156 CG1 VAL A 14 2.948 6.653 -4.874 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.499 4.740 -3.321 1.00 0.00 C ATOM 0 H VAL A 14 -0.326 6.681 -2.073 1.00 0.00 H new ATOM 0 HA VAL A 14 2.522 7.238 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 14 1.041 5.810 -4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.174 5.937 -5.664 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.517 7.553 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.865 6.911 -4.345 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.732 4.049 -4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.404 4.947 -2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.751 4.292 -2.667 1.00 0.00 H new ATOM 167 N CYS A 15 -0.149 8.316 -3.822 1.00 0.00 N ATOM 168 CA CYS A 15 -0.760 9.491 -4.431 1.00 0.00 C ATOM 169 C CYS A 15 -1.923 10.000 -3.584 1.00 0.00 C ATOM 170 O CYS A 15 -2.284 11.175 -3.650 1.00 0.00 O ATOM 171 CB CYS A 15 -1.249 9.163 -5.843 1.00 0.00 C ATOM 172 SG CYS A 15 -2.597 7.938 -5.898 1.00 0.00 S ATOM 0 H CYS A 15 -0.764 7.504 -3.763 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.004 10.274 -4.488 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.588 10.082 -6.321 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.409 8.790 -6.429 1.00 0.00 H new ATOM 177 N ARG A 16 -2.504 9.108 -2.789 1.00 0.00 N ATOM 178 CA ARG A 16 -3.626 9.466 -1.930 1.00 0.00 C ATOM 179 C ARG A 16 -4.830 9.900 -2.760 1.00 0.00 C ATOM 180 O ARG A 16 -5.071 11.093 -2.949 1.00 0.00 O ATOM 181 CB ARG A 16 -3.223 10.589 -0.971 1.00 0.00 C ATOM 182 CG ARG A 16 -1.892 10.349 -0.278 1.00 0.00 C ATOM 183 CD ARG A 16 -2.024 10.455 1.233 1.00 0.00 C ATOM 184 NE ARG A 16 -0.748 10.765 1.874 1.00 0.00 N ATOM 185 CZ ARG A 16 -0.642 11.217 3.118 1.00 0.00 C ATOM 186 NH1 ARG A 16 -1.729 11.409 3.853 1.00 0.00 N ATOM 187 NH2 ARG A 16 0.554 11.476 3.631 1.00 0.00 N ATOM 0 H ARG A 16 -2.216 8.132 -2.722 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.904 8.585 -1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.171 11.527 -1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.000 10.707 -0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.515 9.361 -0.543 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.160 11.075 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.751 11.229 1.480 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.410 9.516 1.630 1.00 0.00 H new ATOM 0 HE ARG A 16 0.108 10.627 1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.650 11.209 3.463 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.644 11.756 4.808 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.393 11.328 3.070 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.635 11.823 4.587 1.00 0.00 H new ATOM 201 N LYS A 17 -5.583 8.924 -3.255 1.00 0.00 N ATOM 202 CA LYS A 17 -6.763 9.203 -4.065 1.00 0.00 C ATOM 203 C LYS A 17 -7.885 8.218 -3.750 1.00 0.00 C ATOM 204 O LYS A 17 -7.651 7.168 -3.152 1.00 0.00 O ATOM 205 CB LYS A 17 -6.413 9.134 -5.554 1.00 0.00 C ATOM 206 CG LYS A 17 -6.456 10.482 -6.251 1.00 0.00 C ATOM 207 CD LYS A 17 -7.852 10.803 -6.759 1.00 0.00 C ATOM 208 CE LYS A 17 -7.847 12.018 -7.673 1.00 0.00 C ATOM 209 NZ LYS A 17 -7.656 13.284 -6.912 1.00 0.00 N ATOM 0 H LYS A 17 -5.397 7.932 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.108 10.209 -3.825 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.416 8.709 -5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.106 8.455 -6.051 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.131 11.260 -5.560 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.755 10.484 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.251 9.943 -7.297 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.515 10.985 -5.913 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.051 11.914 -8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.787 12.063 -8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.658 14.089 -7.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -8.429 13.396 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.747 13.252 -6.408 1.00 0.00 H new ATOM 223 N SER A 18 -9.102 8.564 -4.157 1.00 0.00 N ATOM 224 CA SER A 18 -10.260 7.712 -3.916 1.00 0.00 C ATOM 225 C SER A 18 -10.390 6.651 -5.006 1.00 0.00 C ATOM 226 O SER A 18 -9.599 6.611 -5.946 1.00 0.00 O ATOM 227 CB SER A 18 -11.535 8.554 -3.853 1.00 0.00 C ATOM 228 OG SER A 18 -12.286 8.433 -5.049 1.00 0.00 O ATOM 0 H SER A 18 -9.311 9.429 -4.655 1.00 0.00 H new ATOM 0 HA SER A 18 -10.118 7.210 -2.959 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.142 8.237 -3.005 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.276 9.600 -3.687 1.00 0.00 H new ATOM 0 HG SER A 18 -13.097 8.979 -4.983 1.00 0.00 H new ATOM 234 N GLY A 19 -11.397 5.793 -4.870 1.00 0.00 N ATOM 235 CA GLY A 19 -11.614 4.744 -5.849 1.00 0.00 C ATOM 236 C GLY A 19 -11.350 3.362 -5.286 1.00 0.00 C ATOM 237 O GLY A 19 -11.551 3.122 -4.095 1.00 0.00 O ATOM 0 H GLY A 19 -12.066 5.806 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.641 4.796 -6.211 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.965 4.913 -6.708 1.00 0.00 H new ATOM 241 N GLN A 20 -10.900 2.451 -6.143 1.00 0.00 N ATOM 242 CA GLN A 20 -10.611 1.085 -5.723 1.00 0.00 C ATOM 243 C GLN A 20 -9.137 0.927 -5.363 1.00 0.00 C ATOM 244 O GLN A 20 -8.256 1.379 -6.095 1.00 0.00 O ATOM 245 CB GLN A 20 -10.986 0.099 -6.831 1.00 0.00 C ATOM 246 CG GLN A 20 -12.429 -0.372 -6.763 1.00 0.00 C ATOM 247 CD GLN A 20 -12.868 -1.094 -8.022 1.00 0.00 C ATOM 248 OE1 GLN A 20 -12.471 -2.233 -8.269 1.00 0.00 O ATOM 249 NE2 GLN A 20 -13.691 -0.433 -8.827 1.00 0.00 N ATOM 0 H GLN A 20 -10.728 2.634 -7.132 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.208 0.869 -4.837 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.811 0.569 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.327 -0.767 -6.774 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.550 -1.036 -5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.080 0.486 -6.595 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.995 0.510 -8.583 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.019 -0.868 -9.689 1.00 0.00 H new ATOM 258 N LEU A 21 -8.877 0.283 -4.231 1.00 0.00 N ATOM 259 CA LEU A 21 -7.509 0.065 -3.772 1.00 0.00 C ATOM 260 C LEU A 21 -7.281 -1.401 -3.417 1.00 0.00 C ATOM 261 O LEU A 21 -8.198 -2.093 -2.973 1.00 0.00 O ATOM 262 CB LEU A 21 -7.210 0.948 -2.559 1.00 0.00 C ATOM 263 CG LEU A 21 -6.472 2.256 -2.847 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.872 3.327 -1.844 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.967 2.036 -2.824 1.00 0.00 C ATOM 0 H LEU A 21 -9.595 -0.097 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.833 0.333 -4.584 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.153 1.187 -2.067 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.618 0.369 -1.850 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.753 2.597 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.337 4.250 -2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.945 3.505 -1.910 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.621 2.994 -0.837 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.458 2.978 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.668 1.670 -1.842 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.695 1.302 -3.583 1.00 0.00 H new ATOM 277 N LEU A 22 -6.053 -1.867 -3.612 1.00 0.00 N ATOM 278 CA LEU A 22 -5.702 -3.251 -3.310 1.00 0.00 C ATOM 279 C LEU A 22 -5.366 -3.417 -1.831 1.00 0.00 C ATOM 280 O LEU A 22 -4.945 -2.469 -1.170 1.00 0.00 O ATOM 281 CB LEU A 22 -4.516 -3.696 -4.167 1.00 0.00 C ATOM 282 CG LEU A 22 -4.408 -5.198 -4.435 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.652 -5.704 -5.150 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.160 -5.506 -5.249 1.00 0.00 C ATOM 0 H LEU A 22 -5.283 -1.307 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.564 -3.877 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.572 -3.179 -5.125 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.598 -3.367 -3.680 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.330 -5.714 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.557 -6.774 -5.332 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.529 -5.518 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.763 -5.183 -6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.099 -6.579 -5.430 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.208 -4.979 -6.202 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.277 -5.181 -4.699 1.00 0.00 H new ATOM 296 N MET A 23 -5.554 -4.629 -1.320 1.00 0.00 N ATOM 297 CA MET A 23 -5.268 -4.920 0.080 1.00 0.00 C ATOM 298 C MET A 23 -4.213 -6.016 0.203 1.00 0.00 C ATOM 299 O MET A 23 -4.164 -6.938 -0.612 1.00 0.00 O ATOM 300 CB MET A 23 -6.546 -5.342 0.807 1.00 0.00 C ATOM 301 CG MET A 23 -7.736 -4.442 0.517 1.00 0.00 C ATOM 302 SD MET A 23 -9.210 -4.922 1.437 1.00 0.00 S ATOM 303 CE MET A 23 -9.080 -3.852 2.868 1.00 0.00 C ATOM 0 H MET A 23 -5.903 -5.425 -1.854 1.00 0.00 H new ATOM 0 HA MET A 23 -4.879 -4.012 0.542 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.796 -6.364 0.522 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.358 -5.348 1.881 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.477 -3.413 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 23 -7.954 -4.468 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 23 -9.924 -4.032 3.534 1.00 0.00 H new ATOM 0 HE2 MET A 23 -8.150 -4.062 3.396 1.00 0.00 H new ATOM 0 HE3 MET A 23 -9.088 -2.811 2.546 1.00 0.00 H new ATOM 313 N CYS A 24 -3.371 -5.909 1.225 1.00 0.00 N ATOM 314 CA CYS A 24 -2.317 -6.889 1.454 1.00 0.00 C ATOM 315 C CYS A 24 -2.826 -8.044 2.312 1.00 0.00 C ATOM 316 O CYS A 24 -3.656 -7.853 3.200 1.00 0.00 O ATOM 317 CB CYS A 24 -1.115 -6.228 2.131 1.00 0.00 C ATOM 318 SG CYS A 24 0.295 -7.350 2.404 1.00 0.00 S ATOM 0 H CYS A 24 -3.398 -5.152 1.908 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.008 -7.286 0.487 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.784 -5.388 1.520 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.431 -5.819 3.091 1.00 0.00 H new ATOM 323 N ASP A 25 -2.321 -9.243 2.040 1.00 0.00 N ATOM 324 CA ASP A 25 -2.723 -10.429 2.787 1.00 0.00 C ATOM 325 C ASP A 25 -1.747 -10.710 3.925 1.00 0.00 C ATOM 326 O ASP A 25 -1.400 -11.862 4.190 1.00 0.00 O ATOM 327 CB ASP A 25 -2.803 -11.640 1.857 1.00 0.00 C ATOM 328 CG ASP A 25 -3.953 -12.564 2.207 1.00 0.00 C ATOM 329 OD1 ASP A 25 -4.559 -12.375 3.283 1.00 0.00 O ATOM 330 OD2 ASP A 25 -4.247 -13.477 1.407 1.00 0.00 O ATOM 0 H ASP A 25 -1.633 -9.419 1.308 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.708 -10.243 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.916 -11.298 0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.866 -12.195 1.907 1.00 0.00 H new ATOM 335 N THR A 26 -1.307 -9.650 4.596 1.00 0.00 N ATOM 336 CA THR A 26 -0.369 -9.782 5.704 1.00 0.00 C ATOM 337 C THR A 26 -0.417 -8.560 6.613 1.00 0.00 C ATOM 338 O THR A 26 -0.839 -8.647 7.767 1.00 0.00 O ATOM 339 CB THR A 26 1.073 -9.977 5.200 1.00 0.00 C ATOM 340 OG1 THR A 26 1.090 -10.017 3.769 1.00 0.00 O ATOM 341 CG2 THR A 26 1.673 -11.259 5.756 1.00 0.00 C ATOM 0 H THR A 26 -1.585 -8.690 4.391 1.00 0.00 H new ATOM 0 HA THR A 26 -0.670 -10.664 6.269 1.00 0.00 H new ATOM 0 HB THR A 26 1.672 -9.135 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.969 -9.111 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.692 -11.374 5.386 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.686 -11.212 6.845 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.072 -12.110 5.436 1.00 0.00 H new ATOM 349 N CYS A 27 0.017 -7.419 6.087 1.00 0.00 N ATOM 350 CA CYS A 27 0.024 -6.178 6.851 1.00 0.00 C ATOM 351 C CYS A 27 -1.289 -5.421 6.671 1.00 0.00 C ATOM 352 O CYS A 27 -2.249 -5.948 6.108 1.00 0.00 O ATOM 353 CB CYS A 27 1.197 -5.295 6.420 1.00 0.00 C ATOM 354 SG CYS A 27 1.044 -4.628 4.731 1.00 0.00 S ATOM 0 H CYS A 27 0.369 -7.329 5.134 1.00 0.00 H new ATOM 0 HA CYS A 27 0.136 -6.431 7.905 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.289 -4.465 7.120 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.118 -5.874 6.489 1.00 0.00 H new ATOM 359 N SER A 28 -1.323 -4.183 7.154 1.00 0.00 N ATOM 360 CA SER A 28 -2.519 -3.355 7.050 1.00 0.00 C ATOM 361 C SER A 28 -2.235 -2.089 6.248 1.00 0.00 C ATOM 362 O SER A 28 -2.179 -0.990 6.800 1.00 0.00 O ATOM 363 CB SER A 28 -3.032 -2.985 8.444 1.00 0.00 C ATOM 364 OG SER A 28 -3.639 -4.098 9.076 1.00 0.00 O ATOM 0 H SER A 28 -0.537 -3.732 7.621 1.00 0.00 H new ATOM 0 HA SER A 28 -3.285 -3.930 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.205 -2.622 9.055 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.752 -2.170 8.366 1.00 0.00 H new ATOM 0 HG SER A 28 -4.240 -4.545 8.444 1.00 0.00 H new ATOM 370 N ARG A 29 -2.056 -2.252 4.941 1.00 0.00 N ATOM 371 CA ARG A 29 -1.777 -1.124 4.061 1.00 0.00 C ATOM 372 C ARG A 29 -2.418 -1.330 2.692 1.00 0.00 C ATOM 373 O ARG A 29 -2.519 -2.456 2.205 1.00 0.00 O ATOM 374 CB ARG A 29 -0.267 -0.932 3.906 1.00 0.00 C ATOM 375 CG ARG A 29 0.494 -1.006 5.220 1.00 0.00 C ATOM 376 CD ARG A 29 1.998 -0.956 4.996 1.00 0.00 C ATOM 377 NE ARG A 29 2.501 0.415 4.964 1.00 0.00 N ATOM 378 CZ ARG A 29 3.780 0.732 5.127 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.682 -0.218 5.331 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.160 2.003 5.084 1.00 0.00 N ATOM 0 H ARG A 29 -2.099 -3.155 4.468 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.206 -0.229 4.512 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.120 -1.693 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.078 0.035 3.440 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.193 -0.179 5.863 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.233 -1.927 5.742 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.501 -1.508 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.242 -1.454 4.057 1.00 0.00 H new ATOM 0 HE ARG A 29 1.833 1.170 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.394 -1.196 5.363 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.664 0.029 5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.469 2.737 4.926 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.143 2.246 5.209 1.00 0.00 H new ATOM 394 N VAL A 30 -2.850 -0.234 2.075 1.00 0.00 N ATOM 395 CA VAL A 30 -3.480 -0.295 0.762 1.00 0.00 C ATOM 396 C VAL A 30 -2.606 0.365 -0.298 1.00 0.00 C ATOM 397 O VAL A 30 -1.889 1.326 -0.016 1.00 0.00 O ATOM 398 CB VAL A 30 -4.861 0.388 0.771 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.824 -0.367 1.675 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.734 1.840 1.206 1.00 0.00 C ATOM 0 H VAL A 30 -2.775 0.706 2.464 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.606 -1.350 0.519 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.263 0.371 -0.242 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.794 0.130 1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.937 -1.389 1.313 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.431 -0.384 2.692 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.719 2.307 1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.311 1.883 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.081 2.371 0.514 1.00 0.00 H new ATOM 410 N TYR A 31 -2.670 -0.156 -1.518 1.00 0.00 N ATOM 411 CA TYR A 31 -1.882 0.382 -2.621 1.00 0.00 C ATOM 412 C TYR A 31 -2.612 0.204 -3.949 1.00 0.00 C ATOM 413 O TYR A 31 -3.144 -0.868 -4.240 1.00 0.00 O ATOM 414 CB TYR A 31 -0.516 -0.304 -2.681 1.00 0.00 C ATOM 415 CG TYR A 31 0.250 -0.244 -1.379 1.00 0.00 C ATOM 416 CD1 TYR A 31 0.943 0.903 -1.011 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.280 -1.333 -0.517 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.645 0.962 0.178 1.00 0.00 C ATOM 419 CE2 TYR A 31 0.978 -1.282 0.674 1.00 0.00 C ATOM 420 CZ TYR A 31 1.659 -0.133 1.017 1.00 0.00 C ATOM 421 OH TYR A 31 2.356 -0.078 2.202 1.00 0.00 O ATOM 0 H TYR A 31 -3.259 -0.950 -1.768 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.738 1.448 -2.446 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.655 -1.348 -2.963 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.081 0.161 -3.466 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.933 1.762 -1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.251 -2.235 -0.783 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.180 1.860 0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.990 -2.138 1.333 1.00 0.00 H new ATOM 0 HH TYR A 31 2.576 0.854 2.409 1.00 0.00 H new ATOM 431 N HIS A 32 -2.632 1.262 -4.752 1.00 0.00 N ATOM 432 CA HIS A 32 -3.295 1.224 -6.051 1.00 0.00 C ATOM 433 C HIS A 32 -2.718 0.113 -6.923 1.00 0.00 C ATOM 434 O HIS A 32 -1.816 -0.613 -6.505 1.00 0.00 O ATOM 435 CB HIS A 32 -3.152 2.571 -6.760 1.00 0.00 C ATOM 436 CG HIS A 32 -4.239 3.545 -6.422 1.00 0.00 C ATOM 437 ND1 HIS A 32 -4.079 4.911 -6.509 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.508 3.342 -5.997 1.00 0.00 C ATOM 439 CE1 HIS A 32 -5.202 5.507 -6.150 1.00 0.00 C ATOM 440 NE2 HIS A 32 -6.085 4.577 -5.835 1.00 0.00 N ATOM 0 H HIS A 32 -2.197 2.157 -4.527 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.353 1.020 -5.886 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.189 3.009 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.145 2.406 -7.837 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.979 2.387 -5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.369 6.574 -6.119 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.041 4.748 -5.522 1.00 0.00 H new ATOM 448 N LEU A 33 -3.245 -0.014 -8.136 1.00 0.00 N ATOM 449 CA LEU A 33 -2.783 -1.037 -9.067 1.00 0.00 C ATOM 450 C LEU A 33 -1.657 -0.504 -9.947 1.00 0.00 C ATOM 451 O LEU A 33 -0.824 -1.267 -10.437 1.00 0.00 O ATOM 452 CB LEU A 33 -3.942 -1.521 -9.940 1.00 0.00 C ATOM 453 CG LEU A 33 -4.804 -2.639 -9.352 1.00 0.00 C ATOM 454 CD1 LEU A 33 -6.012 -2.904 -10.238 1.00 0.00 C ATOM 455 CD2 LEU A 33 -3.983 -3.908 -9.174 1.00 0.00 C ATOM 0 H LEU A 33 -3.992 0.579 -8.497 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.399 -1.875 -8.486 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.586 -0.669 -10.158 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.535 -1.865 -10.891 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.160 -2.320 -8.373 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.614 -3.702 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.613 -1.998 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.676 -3.202 -11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.613 -4.693 -8.755 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.597 -4.230 -10.141 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.150 -3.711 -8.499 1.00 0.00 H new ATOM 467 N ASP A 34 -1.637 0.810 -10.142 1.00 0.00 N ATOM 468 CA ASP A 34 -0.611 1.446 -10.960 1.00 0.00 C ATOM 469 C ASP A 34 0.471 2.072 -10.086 1.00 0.00 C ATOM 470 O ASP A 34 1.585 2.326 -10.544 1.00 0.00 O ATOM 471 CB ASP A 34 -1.235 2.512 -11.862 1.00 0.00 C ATOM 472 CG ASP A 34 -2.069 1.912 -12.977 1.00 0.00 C ATOM 473 OD1 ASP A 34 -2.016 0.677 -13.159 1.00 0.00 O ATOM 474 OD2 ASP A 34 -2.775 2.676 -13.666 1.00 0.00 O ATOM 0 H ASP A 34 -2.320 1.455 -9.745 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.151 0.678 -11.582 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -1.859 3.172 -11.260 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.445 3.126 -12.294 1.00 0.00 H new ATOM 479 N CYS A 35 0.135 2.318 -8.824 1.00 0.00 N ATOM 480 CA CYS A 35 1.077 2.916 -7.884 1.00 0.00 C ATOM 481 C CYS A 35 1.736 1.845 -7.020 1.00 0.00 C ATOM 482 O CYS A 35 1.648 1.882 -5.792 1.00 0.00 O ATOM 483 CB CYS A 35 0.364 3.937 -6.996 1.00 0.00 C ATOM 484 SG CYS A 35 -0.701 5.101 -7.907 1.00 0.00 S ATOM 0 H CYS A 35 -0.782 2.113 -8.428 1.00 0.00 H new ATOM 0 HA CYS A 35 1.853 3.423 -8.458 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.242 3.404 -6.263 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.111 4.504 -6.440 1.00 0.00 H new ATOM 489 N LEU A 36 2.396 0.893 -7.669 1.00 0.00 N ATOM 490 CA LEU A 36 3.072 -0.189 -6.961 1.00 0.00 C ATOM 491 C LEU A 36 4.563 -0.203 -7.281 1.00 0.00 C ATOM 492 O LEU A 36 5.055 0.645 -8.026 1.00 0.00 O ATOM 493 CB LEU A 36 2.447 -1.536 -7.331 1.00 0.00 C ATOM 494 CG LEU A 36 1.130 -1.879 -6.633 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.605 -3.222 -7.116 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.314 -1.888 -5.123 1.00 0.00 C ATOM 0 H LEU A 36 2.478 0.848 -8.685 1.00 0.00 H new ATOM 0 HA LEU A 36 2.951 -0.020 -5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.279 -1.553 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.169 -2.322 -7.109 1.00 0.00 H new ATOM 0 HG LEU A 36 0.396 -1.113 -6.885 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.333 -3.450 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.435 -3.181 -8.192 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.336 -4.000 -6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.367 -2.134 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.062 -2.633 -4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.645 -0.904 -4.791 1.00 0.00 H new ATOM 508 N ASP A 37 5.275 -1.170 -6.716 1.00 0.00 N ATOM 509 CA ASP A 37 6.710 -1.297 -6.943 1.00 0.00 C ATOM 510 C ASP A 37 7.145 -2.757 -6.874 1.00 0.00 C ATOM 511 O ASP A 37 7.391 -3.307 -5.801 1.00 0.00 O ATOM 512 CB ASP A 37 7.486 -0.471 -5.915 1.00 0.00 C ATOM 513 CG ASP A 37 8.830 -0.008 -6.441 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.853 0.711 -7.462 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.860 -0.363 -5.830 1.00 0.00 O ATOM 0 H ASP A 37 4.882 -1.879 -6.097 1.00 0.00 H new ATOM 0 HA ASP A 37 6.929 -0.919 -7.942 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.893 0.397 -5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.637 -1.066 -5.014 1.00 0.00 H new ATOM 520 N PRO A 38 7.241 -3.402 -8.046 1.00 0.00 N ATOM 521 CA PRO A 38 6.950 -2.758 -9.331 1.00 0.00 C ATOM 522 C PRO A 38 5.465 -2.459 -9.506 1.00 0.00 C ATOM 523 O PRO A 38 4.619 -2.932 -8.747 1.00 0.00 O ATOM 524 CB PRO A 38 7.412 -3.794 -10.359 1.00 0.00 C ATOM 525 CG PRO A 38 7.322 -5.100 -9.649 1.00 0.00 C ATOM 526 CD PRO A 38 7.641 -4.810 -8.208 1.00 0.00 C ATOM 0 HA PRO A 38 7.447 -1.793 -9.425 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.778 -3.781 -11.246 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.430 -3.594 -10.692 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.326 -5.531 -9.749 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.025 -5.821 -10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.088 -5.465 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.700 -4.954 -7.994 1.00 0.00 H new ATOM 534 N PRO A 39 5.139 -1.656 -10.529 1.00 0.00 N ATOM 535 CA PRO A 39 3.755 -1.276 -10.828 1.00 0.00 C ATOM 536 C PRO A 39 2.935 -2.447 -11.358 1.00 0.00 C ATOM 537 O PRO A 39 3.481 -3.395 -11.924 1.00 0.00 O ATOM 538 CB PRO A 39 3.907 -0.199 -11.905 1.00 0.00 C ATOM 539 CG PRO A 39 5.215 -0.495 -12.555 1.00 0.00 C ATOM 540 CD PRO A 39 6.097 -1.056 -11.474 1.00 0.00 C ATOM 0 HA PRO A 39 3.224 -0.936 -9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.089 -0.240 -12.624 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.898 0.800 -11.470 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.093 -1.209 -13.369 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.650 0.407 -12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.792 -1.798 -11.867 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.696 -0.278 -11.000 1.00 0.00 H new ATOM 548 N LEU A 40 1.621 -2.375 -11.172 1.00 0.00 N ATOM 549 CA LEU A 40 0.725 -3.430 -11.632 1.00 0.00 C ATOM 550 C LEU A 40 -0.276 -2.889 -12.649 1.00 0.00 C ATOM 551 O LEU A 40 -0.274 -1.699 -12.966 1.00 0.00 O ATOM 552 CB LEU A 40 -0.019 -4.048 -10.447 1.00 0.00 C ATOM 553 CG LEU A 40 0.546 -5.365 -9.913 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.264 -5.848 -8.720 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.566 -6.420 -11.009 1.00 0.00 C ATOM 0 H LEU A 40 1.153 -1.598 -10.706 1.00 0.00 H new ATOM 0 HA LEU A 40 1.328 -4.199 -12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.030 -3.324 -9.633 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.056 -4.213 -10.741 1.00 0.00 H new ATOM 0 HG LEU A 40 1.571 -5.192 -9.584 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.152 -6.786 -8.353 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.226 -5.100 -7.928 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.299 -6.004 -9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.971 -7.350 -10.611 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.449 -6.590 -11.369 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.190 -6.076 -11.834 1.00 0.00 H new ATOM 567 N LYS A 41 -1.132 -3.770 -13.155 1.00 0.00 N ATOM 568 CA LYS A 41 -2.141 -3.382 -14.133 1.00 0.00 C ATOM 569 C LYS A 41 -3.476 -4.058 -13.835 1.00 0.00 C ATOM 570 O LYS A 41 -4.429 -3.410 -13.400 1.00 0.00 O ATOM 571 CB LYS A 41 -1.678 -3.744 -15.546 1.00 0.00 C ATOM 572 CG LYS A 41 -2.679 -3.375 -16.627 1.00 0.00 C ATOM 573 CD LYS A 41 -2.683 -1.879 -16.897 1.00 0.00 C ATOM 574 CE LYS A 41 -3.660 -1.516 -18.004 1.00 0.00 C ATOM 575 NZ LYS A 41 -3.098 -0.488 -18.924 1.00 0.00 N ATOM 0 H LYS A 41 -1.147 -4.758 -12.904 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.278 -2.303 -14.068 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.733 -3.240 -15.750 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.484 -4.816 -15.592 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.438 -3.911 -17.545 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.677 -3.694 -16.324 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.949 -1.344 -15.985 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -1.680 -1.556 -17.175 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.915 -2.411 -18.572 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.585 -1.143 -17.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.794 -0.267 -19.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.878 0.375 -18.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.229 -0.853 -19.363 1.00 0.00 H new ATOM 589 N THR A 42 -3.538 -5.365 -14.071 1.00 0.00 N ATOM 590 CA THR A 42 -4.755 -6.128 -13.828 1.00 0.00 C ATOM 591 C THR A 42 -4.744 -6.752 -12.437 1.00 0.00 C ATOM 592 O THR A 42 -3.865 -6.463 -11.624 1.00 0.00 O ATOM 593 CB THR A 42 -4.938 -7.242 -14.877 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.968 -8.274 -14.669 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.802 -6.686 -16.286 1.00 0.00 C ATOM 0 H THR A 42 -2.759 -5.917 -14.430 1.00 0.00 H new ATOM 0 HA THR A 42 -5.587 -5.428 -13.903 1.00 0.00 H new ATOM 0 HB THR A 42 -5.939 -7.657 -14.763 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.092 -8.979 -15.338 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.935 -7.491 -17.009 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.561 -5.921 -16.450 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.812 -6.247 -16.410 1.00 0.00 H new ATOM 603 N ILE A 43 -5.724 -7.609 -12.171 1.00 0.00 N ATOM 604 CA ILE A 43 -5.825 -8.275 -10.878 1.00 0.00 C ATOM 605 C ILE A 43 -4.735 -9.329 -10.716 1.00 0.00 C ATOM 606 O ILE A 43 -4.704 -10.339 -11.418 1.00 0.00 O ATOM 607 CB ILE A 43 -7.200 -8.943 -10.695 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.318 -7.909 -10.849 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.283 -9.621 -9.335 1.00 0.00 C ATOM 610 CD1 ILE A 43 -9.706 -8.499 -10.735 1.00 0.00 C ATOM 0 H ILE A 43 -6.459 -7.858 -12.833 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.700 -7.506 -10.116 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.324 -9.703 -11.467 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.196 -7.138 -10.088 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.218 -7.420 -11.818 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.261 -10.089 -9.221 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.506 -10.382 -9.260 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.142 -8.879 -8.549 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -10.448 -7.709 -10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.847 -9.250 -11.512 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -9.825 -8.964 -9.756 1.00 0.00 H new ATOM 622 N PRO A 44 -3.818 -9.090 -9.766 1.00 0.00 N ATOM 623 CA PRO A 44 -2.710 -10.009 -9.487 1.00 0.00 C ATOM 624 C PRO A 44 -3.182 -11.308 -8.843 1.00 0.00 C ATOM 625 O PRO A 44 -3.230 -11.425 -7.618 1.00 0.00 O ATOM 626 CB PRO A 44 -1.831 -9.219 -8.514 1.00 0.00 C ATOM 627 CG PRO A 44 -2.762 -8.260 -7.855 1.00 0.00 C ATOM 628 CD PRO A 44 -3.793 -7.906 -8.891 1.00 0.00 C ATOM 0 HA PRO A 44 -2.195 -10.314 -10.398 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.358 -9.877 -7.784 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.031 -8.697 -9.038 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.228 -8.709 -6.978 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.230 -7.372 -7.514 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.768 -7.719 -8.440 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.518 -7.006 -9.441 1.00 0.00 H new ATOM 636 N LYS A 45 -3.530 -12.283 -9.676 1.00 0.00 N ATOM 637 CA LYS A 45 -3.997 -13.576 -9.188 1.00 0.00 C ATOM 638 C LYS A 45 -3.018 -14.161 -8.176 1.00 0.00 C ATOM 639 O LYS A 45 -1.875 -13.718 -8.075 1.00 0.00 O ATOM 640 CB LYS A 45 -4.181 -14.547 -10.356 1.00 0.00 C ATOM 641 CG LYS A 45 -5.562 -15.178 -10.410 1.00 0.00 C ATOM 642 CD LYS A 45 -6.305 -14.785 -11.676 1.00 0.00 C ATOM 643 CE LYS A 45 -6.986 -13.433 -11.526 1.00 0.00 C ATOM 644 NZ LYS A 45 -8.383 -13.456 -12.041 1.00 0.00 N ATOM 0 H LYS A 45 -3.498 -12.203 -10.692 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.956 -13.426 -8.693 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.996 -14.017 -11.291 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.433 -15.336 -10.283 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.469 -16.263 -10.363 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.138 -14.869 -9.538 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.607 -14.751 -12.513 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.050 -15.545 -11.912 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.991 -13.143 -10.475 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.413 -12.676 -12.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -8.813 -12.517 -11.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.377 -13.708 -13.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.936 -14.160 -11.512 1.00 0.00 H new ATOM 658 N GLY A 46 -3.475 -15.161 -7.428 1.00 0.00 N ATOM 659 CA GLY A 46 -2.626 -15.792 -6.434 1.00 0.00 C ATOM 660 C GLY A 46 -2.370 -14.896 -5.238 1.00 0.00 C ATOM 661 O GLY A 46 -2.542 -13.680 -5.316 1.00 0.00 O ATOM 0 H GLY A 46 -4.418 -15.545 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.092 -16.718 -6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.675 -16.062 -6.892 1.00 0.00 H new ATOM 665 N MET A 47 -1.960 -15.499 -4.126 1.00 0.00 N ATOM 666 CA MET A 47 -1.681 -14.747 -2.908 1.00 0.00 C ATOM 667 C MET A 47 -0.723 -13.593 -3.189 1.00 0.00 C ATOM 668 O MET A 47 0.481 -13.797 -3.343 1.00 0.00 O ATOM 669 CB MET A 47 -1.089 -15.668 -1.840 1.00 0.00 C ATOM 670 CG MET A 47 -0.733 -14.950 -0.548 1.00 0.00 C ATOM 671 SD MET A 47 0.077 -16.030 0.647 1.00 0.00 S ATOM 672 CE MET A 47 0.228 -14.928 2.051 1.00 0.00 C ATOM 0 H MET A 47 -1.814 -16.505 -4.044 1.00 0.00 H new ATOM 0 HA MET A 47 -2.621 -14.334 -2.542 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.803 -16.462 -1.620 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.194 -16.146 -2.239 1.00 0.00 H new ATOM 0 HG2 MET A 47 -0.078 -14.108 -0.773 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.639 -14.539 -0.104 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.139 -15.163 2.602 1.00 0.00 H new ATOM 0 HE2 MET A 47 0.271 -13.897 1.701 1.00 0.00 H new ATOM 0 HE3 MET A 47 -0.634 -15.053 2.706 1.00 0.00 H new ATOM 682 N TRP A 48 -1.266 -12.383 -3.255 1.00 0.00 N ATOM 683 CA TRP A 48 -0.458 -11.197 -3.518 1.00 0.00 C ATOM 684 C TRP A 48 0.014 -10.561 -2.215 1.00 0.00 C ATOM 685 O TRP A 48 -0.691 -10.592 -1.206 1.00 0.00 O ATOM 686 CB TRP A 48 -1.259 -10.181 -4.334 1.00 0.00 C ATOM 687 CG TRP A 48 -0.459 -8.978 -4.734 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.345 -8.857 -5.832 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.384 -7.729 -4.040 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.915 -7.606 -5.861 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.482 -6.895 -4.773 1.00 0.00 C ATOM 692 CE3 TRP A 48 -0.967 -7.232 -2.871 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.779 -5.595 -4.373 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.671 -5.942 -2.475 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.195 -5.135 -3.225 1.00 0.00 C ATOM 0 H TRP A 48 -2.261 -12.197 -3.130 1.00 0.00 H new ATOM 0 HA TRP A 48 0.418 -11.503 -4.090 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.643 -10.668 -5.231 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.122 -9.858 -3.752 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.509 -9.630 -6.568 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.556 -7.263 -6.576 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.637 -7.846 -2.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.447 -4.972 -4.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.115 -5.549 -1.572 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.405 -4.130 -2.890 1.00 0.00 H new ATOM 706 N ILE A 49 1.211 -9.984 -2.244 1.00 0.00 N ATOM 707 CA ILE A 49 1.776 -9.340 -1.065 1.00 0.00 C ATOM 708 C ILE A 49 2.505 -8.053 -1.438 1.00 0.00 C ATOM 709 O ILE A 49 3.367 -8.047 -2.317 1.00 0.00 O ATOM 710 CB ILE A 49 2.753 -10.274 -0.326 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.057 -11.585 0.044 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.303 -9.590 0.917 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.989 -12.616 0.643 1.00 0.00 C ATOM 0 H ILE A 49 1.808 -9.950 -3.071 1.00 0.00 H new ATOM 0 HA ILE A 49 0.942 -9.104 -0.404 1.00 0.00 H new ATOM 0 HB ILE A 49 3.587 -10.502 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.257 -11.374 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.590 -12.003 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.992 -10.263 1.428 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.831 -8.681 0.629 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.481 -9.335 1.586 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.427 -13.519 0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.775 -12.855 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.437 -12.217 1.553 1.00 0.00 H new ATOM 725 N CYS A 50 2.154 -6.964 -0.762 1.00 0.00 N ATOM 726 CA CYS A 50 2.775 -5.670 -1.020 1.00 0.00 C ATOM 727 C CYS A 50 4.296 -5.777 -0.968 1.00 0.00 C ATOM 728 O CYS A 50 4.860 -6.645 -0.301 1.00 0.00 O ATOM 729 CB CYS A 50 2.291 -4.637 -0.002 1.00 0.00 C ATOM 730 SG CYS A 50 2.968 -4.868 1.673 1.00 0.00 S ATOM 0 H CYS A 50 1.443 -6.952 -0.031 1.00 0.00 H new ATOM 0 HA CYS A 50 2.485 -5.349 -2.020 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.558 -3.641 -0.356 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.203 -4.676 0.049 1.00 0.00 H new ATOM 735 N PRO A 51 4.978 -4.874 -1.689 1.00 0.00 N ATOM 736 CA PRO A 51 6.442 -4.845 -1.741 1.00 0.00 C ATOM 737 C PRO A 51 7.061 -4.402 -0.420 1.00 0.00 C ATOM 738 O PRO A 51 8.269 -4.524 -0.217 1.00 0.00 O ATOM 739 CB PRO A 51 6.738 -3.821 -2.840 1.00 0.00 C ATOM 740 CG PRO A 51 5.540 -2.936 -2.865 1.00 0.00 C ATOM 741 CD PRO A 51 4.371 -3.812 -2.508 1.00 0.00 C ATOM 0 HA PRO A 51 6.862 -5.832 -1.934 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.644 -3.255 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.891 -4.307 -3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.645 -2.117 -2.154 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.406 -2.488 -3.850 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.611 -3.262 -1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.886 -4.217 -3.396 1.00 0.00 H new ATOM 749 N ARG A 52 6.225 -3.888 0.477 1.00 0.00 N ATOM 750 CA ARG A 52 6.690 -3.426 1.779 1.00 0.00 C ATOM 751 C ARG A 52 6.895 -4.600 2.731 1.00 0.00 C ATOM 752 O ARG A 52 7.667 -4.512 3.686 1.00 0.00 O ATOM 753 CB ARG A 52 5.691 -2.436 2.380 1.00 0.00 C ATOM 754 CG ARG A 52 6.186 -0.999 2.387 1.00 0.00 C ATOM 755 CD ARG A 52 7.425 -0.841 3.255 1.00 0.00 C ATOM 756 NE ARG A 52 8.634 -0.665 2.455 1.00 0.00 N ATOM 757 CZ ARG A 52 8.942 0.464 1.827 1.00 0.00 C ATOM 758 NH1 ARG A 52 8.134 1.512 1.907 1.00 0.00 N ATOM 759 NH2 ARG A 52 10.061 0.547 1.119 1.00 0.00 N ATOM 0 H ARG A 52 5.222 -3.781 0.325 1.00 0.00 H new ATOM 0 HA ARG A 52 7.647 -2.924 1.637 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.759 -2.487 1.818 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.464 -2.738 3.402 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.412 -0.686 1.368 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.397 -0.343 2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.299 0.017 3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 52 7.536 -1.719 3.892 1.00 0.00 H new ATOM 0 HE ARG A 52 9.277 -1.452 2.374 1.00 0.00 H new ATOM 0 HH11 ARG A 52 7.274 1.452 2.452 1.00 0.00 H new ATOM 0 HH12 ARG A 52 8.373 2.378 1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.686 -0.257 1.057 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.296 1.415 0.637 1.00 0.00 H new ATOM 773 N CYS A 53 6.197 -5.700 2.465 1.00 0.00 N ATOM 774 CA CYS A 53 6.300 -6.892 3.297 1.00 0.00 C ATOM 775 C CYS A 53 7.472 -7.764 2.856 1.00 0.00 C ATOM 776 O CYS A 53 8.335 -8.113 3.661 1.00 0.00 O ATOM 777 CB CYS A 53 5.000 -7.696 3.236 1.00 0.00 C ATOM 778 SG CYS A 53 3.712 -7.117 4.386 1.00 0.00 S ATOM 0 H CYS A 53 5.554 -5.790 1.679 1.00 0.00 H new ATOM 0 HA CYS A 53 6.474 -6.573 4.325 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.609 -7.657 2.219 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.221 -8.741 3.452 1.00 0.00 H new ATOM 783 N GLN A 54 7.495 -8.110 1.574 1.00 0.00 N ATOM 784 CA GLN A 54 8.560 -8.942 1.026 1.00 0.00 C ATOM 785 C GLN A 54 9.930 -8.371 1.376 1.00 0.00 C ATOM 786 O GLN A 54 10.901 -9.112 1.534 1.00 0.00 O ATOM 787 CB GLN A 54 8.416 -9.058 -0.493 1.00 0.00 C ATOM 788 CG GLN A 54 7.195 -9.852 -0.929 1.00 0.00 C ATOM 789 CD GLN A 54 7.532 -11.281 -1.303 1.00 0.00 C ATOM 790 OE1 GLN A 54 8.028 -12.051 -0.480 1.00 0.00 O ATOM 791 NE2 GLN A 54 7.264 -11.646 -2.552 1.00 0.00 N ATOM 0 H GLN A 54 6.789 -7.827 0.895 1.00 0.00 H new ATOM 0 HA GLN A 54 8.475 -9.935 1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.361 -8.057 -0.922 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.310 -9.530 -0.900 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.461 -9.855 -0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.730 -9.357 -1.782 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.853 -10.976 -3.202 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.469 -12.596 -2.861 1.00 0.00 H new ATOM 800 N ASP A 55 10.002 -7.050 1.496 1.00 0.00 N ATOM 801 CA ASP A 55 11.254 -6.379 1.828 1.00 0.00 C ATOM 802 C ASP A 55 11.610 -6.589 3.296 1.00 0.00 C ATOM 803 O ASP A 55 10.733 -6.617 4.159 1.00 0.00 O ATOM 804 CB ASP A 55 11.152 -4.883 1.524 1.00 0.00 C ATOM 805 CG ASP A 55 11.897 -4.497 0.261 1.00 0.00 C ATOM 806 OD1 ASP A 55 11.631 -5.108 -0.795 1.00 0.00 O ATOM 807 OD2 ASP A 55 12.745 -3.583 0.330 1.00 0.00 O ATOM 0 H ASP A 55 9.208 -6.422 1.368 1.00 0.00 H new ATOM 0 HA ASP A 55 12.044 -6.813 1.215 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.103 -4.607 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.551 -4.316 2.365 1.00 0.00 H new ATOM 812 N GLN A 56 12.902 -6.738 3.571 1.00 0.00 N ATOM 813 CA GLN A 56 13.373 -6.947 4.935 1.00 0.00 C ATOM 814 C GLN A 56 12.874 -5.842 5.859 1.00 0.00 C ATOM 815 O GLN A 56 11.833 -6.011 6.493 1.00 0.00 O ATOM 816 CB GLN A 56 14.901 -7.003 4.966 1.00 0.00 C ATOM 817 CG GLN A 56 15.567 -5.713 4.514 1.00 0.00 C ATOM 818 CD GLN A 56 16.927 -5.504 5.150 1.00 0.00 C ATOM 819 OE1 GLN A 56 17.028 -5.070 6.298 1.00 0.00 O ATOM 820 NE2 GLN A 56 17.982 -5.813 4.406 1.00 0.00 N ATOM 0 H GLN A 56 13.641 -6.718 2.868 1.00 0.00 H new ATOM 0 HA GLN A 56 12.974 -7.898 5.288 1.00 0.00 H new ATOM 0 HB2 GLN A 56 15.227 -7.234 5.980 1.00 0.00 H new ATOM 0 HB3 GLN A 56 15.239 -7.820 4.328 1.00 0.00 H new ATOM 0 HG2 GLN A 56 15.675 -5.725 3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 56 14.922 -4.870 4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 56 17.852 -6.170 3.459 1.00 0.00 H new ATOM 0 HE22 GLN A 56 18.923 -5.694 4.781 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -2.201 5.812 -6.285 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.973 -6.151 3.149 1.00 0.00 ZN