USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 399 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 Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -90:sc= -0.165 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -76:sc= 0.18 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.64 USER MOD Single : A 23 ASN : amide:sc= -0.0392 K(o=-0.039,f=-1.1) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.22 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= 0.193 (180deg=0.122) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.1 USER MOD Single : A 38 ASN : amide:sc= -1.45 K(o=-1.4,f=-9.5!) USER MOD Single : A 40 ASN : amide:sc= -0.491 K(o=-0.49,f=-3.1!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 MET CE :methyl 151:sc=-0.00376 (180deg=-1.33) USER MOD Single : A 50 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.26) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 2 8.212 10.620 3.953 1.00 0.00 N ATOM 23 CA ASP A 2 8.992 9.883 2.965 1.00 0.00 C ATOM 24 C ASP A 2 8.354 8.530 2.642 1.00 0.00 C ATOM 25 O ASP A 2 8.842 7.798 1.781 1.00 0.00 O ATOM 26 CB ASP A 2 10.422 9.675 3.469 1.00 0.00 C ATOM 27 CG ASP A 2 11.182 10.980 3.603 1.00 0.00 C ATOM 28 OD1 ASP A 2 11.264 11.724 2.604 1.00 0.00 O ATOM 29 OD2 ASP A 2 11.695 11.256 4.707 1.00 0.00 O ATOM 0 HA ASP A 2 9.012 10.475 2.050 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.394 9.173 4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.954 9.016 2.783 1.00 0.00 H new ATOM 34 N THR A 3 7.268 8.200 3.337 1.00 0.00 N ATOM 35 CA THR A 3 6.577 6.934 3.119 1.00 0.00 C ATOM 36 C THR A 3 5.657 7.011 1.904 1.00 0.00 C ATOM 37 O THR A 3 5.576 6.070 1.114 1.00 0.00 O ATOM 38 CB THR A 3 5.771 6.553 4.360 1.00 0.00 C ATOM 39 OG1 THR A 3 6.610 6.472 5.498 1.00 0.00 O ATOM 40 CG2 THR A 3 5.052 5.227 4.226 1.00 0.00 C ATOM 0 H THR A 3 6.849 8.791 4.055 1.00 0.00 H new ATOM 0 HA THR A 3 7.329 6.168 2.930 1.00 0.00 H new ATOM 0 HB THR A 3 5.027 7.341 4.472 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.075 6.229 6.282 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.500 5.018 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.358 5.273 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.780 4.434 4.053 1.00 0.00 H new ATOM 48 N CYS A 4 4.964 8.136 1.762 1.00 0.00 N ATOM 49 CA CYS A 4 4.045 8.334 0.647 1.00 0.00 C ATOM 50 C CYS A 4 4.788 8.421 -0.686 1.00 0.00 C ATOM 51 O CYS A 4 4.172 8.363 -1.750 1.00 0.00 O ATOM 52 CB CYS A 4 3.219 9.603 0.863 1.00 0.00 C ATOM 53 SG CYS A 4 2.229 9.592 2.394 1.00 0.00 S ATOM 0 H CYS A 4 5.021 8.925 2.406 1.00 0.00 H new ATOM 0 HA CYS A 4 3.382 7.470 0.608 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.890 10.462 0.883 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.552 9.739 0.012 1.00 0.00 H new ATOM 58 N ARG A 5 6.109 8.566 -0.627 1.00 0.00 N ATOM 59 CA ARG A 5 6.917 8.664 -1.838 1.00 0.00 C ATOM 60 C ARG A 5 7.523 7.315 -2.212 1.00 0.00 C ATOM 61 O ARG A 5 7.775 7.044 -3.387 1.00 0.00 O ATOM 62 CB ARG A 5 8.027 9.702 -1.656 1.00 0.00 C ATOM 63 CG ARG A 5 8.810 9.536 -0.365 1.00 0.00 C ATOM 64 CD ARG A 5 9.967 10.518 -0.286 1.00 0.00 C ATOM 65 NE ARG A 5 9.539 11.827 0.202 1.00 0.00 N ATOM 66 CZ ARG A 5 10.231 12.950 0.017 1.00 0.00 C ATOM 67 NH1 ARG A 5 11.383 12.929 -0.640 1.00 0.00 N ATOM 68 NH2 ARG A 5 9.767 14.099 0.493 1.00 0.00 N ATOM 0 H ARG A 5 6.640 8.618 0.242 1.00 0.00 H new ATOM 0 HA ARG A 5 6.261 8.979 -2.650 1.00 0.00 H new ATOM 0 HB2 ARG A 5 8.715 9.637 -2.499 1.00 0.00 H new ATOM 0 HB3 ARG A 5 7.588 10.699 -1.679 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.146 9.685 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 5 9.191 8.517 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 5 10.737 10.119 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.418 10.628 -1.272 1.00 0.00 H new ATOM 0 HE ARG A 5 8.659 11.884 0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 5 11.745 12.049 -1.007 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.907 13.793 -0.778 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.882 14.121 0.999 1.00 0.00 H new ATOM 0 HH22 ARG A 5 10.296 14.960 0.352 1.00 0.00 H new ATOM 82 N LEU A 6 7.755 6.469 -1.213 1.00 0.00 N ATOM 83 CA LEU A 6 8.333 5.151 -1.454 1.00 0.00 C ATOM 84 C LEU A 6 7.238 4.117 -1.724 1.00 0.00 C ATOM 85 O LEU A 6 6.437 3.808 -0.841 1.00 0.00 O ATOM 86 CB LEU A 6 9.193 4.716 -0.261 1.00 0.00 C ATOM 87 CG LEU A 6 8.419 4.289 0.990 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.165 2.790 0.974 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.180 4.687 2.246 1.00 0.00 C ATOM 0 H LEU A 6 7.553 6.671 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 6 8.968 5.216 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.826 3.887 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.855 5.539 0.006 1.00 0.00 H new ATOM 0 HG LEU A 6 7.456 4.801 0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.614 2.505 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.581 2.529 0.091 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.117 2.260 0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.617 4.377 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.156 4.201 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.313 5.769 2.263 1.00 0.00 H new ATOM 101 N PRO A 7 7.182 3.569 -2.953 1.00 0.00 N ATOM 102 CA PRO A 7 6.173 2.571 -3.328 1.00 0.00 C ATOM 103 C PRO A 7 6.298 1.286 -2.516 1.00 0.00 C ATOM 104 O PRO A 7 7.278 1.086 -1.798 1.00 0.00 O ATOM 105 CB PRO A 7 6.462 2.291 -4.809 1.00 0.00 C ATOM 106 CG PRO A 7 7.300 3.434 -5.270 1.00 0.00 C ATOM 107 CD PRO A 7 8.086 3.879 -4.073 1.00 0.00 C ATOM 0 HA PRO A 7 5.163 2.935 -3.141 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.986 1.343 -4.935 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.538 2.224 -5.384 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.962 3.130 -6.081 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.679 4.244 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.032 3.344 -3.989 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.324 4.942 -4.118 1.00 0.00 H new ATOM 115 N SER A 8 5.300 0.417 -2.638 1.00 0.00 N ATOM 116 CA SER A 8 5.297 -0.853 -1.920 1.00 0.00 C ATOM 117 C SER A 8 5.499 -2.020 -2.882 1.00 0.00 C ATOM 118 O SER A 8 5.117 -1.945 -4.050 1.00 0.00 O ATOM 119 CB SER A 8 3.983 -1.025 -1.153 1.00 0.00 C ATOM 120 OG SER A 8 4.223 -1.281 0.220 1.00 0.00 O ATOM 0 H SER A 8 4.482 0.569 -3.228 1.00 0.00 H new ATOM 0 HA SER A 8 6.124 -0.845 -1.210 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.377 -0.125 -1.258 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.411 -1.846 -1.585 1.00 0.00 H new ATOM 0 HG SER A 8 4.295 -2.248 0.365 1.00 0.00 H new ATOM 126 N ASP A 9 6.101 -3.095 -2.386 1.00 0.00 N ATOM 127 CA ASP A 9 6.352 -4.276 -3.204 1.00 0.00 C ATOM 128 C ASP A 9 5.776 -5.528 -2.547 1.00 0.00 C ATOM 129 O ASP A 9 5.956 -5.753 -1.350 1.00 0.00 O ATOM 130 CB ASP A 9 7.855 -4.450 -3.438 1.00 0.00 C ATOM 131 CG ASP A 9 8.184 -4.729 -4.891 1.00 0.00 C ATOM 132 OD1 ASP A 9 7.869 -3.876 -5.746 1.00 0.00 O ATOM 133 OD2 ASP A 9 8.757 -5.804 -5.174 1.00 0.00 O ATOM 0 H ASP A 9 6.424 -3.173 -1.422 1.00 0.00 H new ATOM 0 HA ASP A 9 5.857 -4.134 -4.165 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.377 -3.549 -3.117 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.224 -5.269 -2.821 1.00 0.00 H new ATOM 138 N ARG A 10 5.081 -6.338 -3.338 1.00 0.00 N ATOM 139 CA ARG A 10 4.476 -7.566 -2.834 1.00 0.00 C ATOM 140 C ARG A 10 5.432 -8.753 -2.949 1.00 0.00 C ATOM 141 O ARG A 10 5.082 -9.873 -2.575 1.00 0.00 O ATOM 142 CB ARG A 10 3.193 -7.869 -3.605 1.00 0.00 C ATOM 143 CG ARG A 10 3.362 -7.766 -5.114 1.00 0.00 C ATOM 144 CD ARG A 10 2.673 -8.912 -5.837 1.00 0.00 C ATOM 145 NE ARG A 10 1.431 -8.480 -6.477 1.00 0.00 N ATOM 146 CZ ARG A 10 1.258 -8.420 -7.802 1.00 0.00 C ATOM 147 NH1 ARG A 10 2.236 -8.779 -8.627 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.107 -8.000 -8.309 1.00 0.00 N ATOM 0 H ARG A 10 4.922 -6.167 -4.331 1.00 0.00 H new ATOM 0 HA ARG A 10 4.248 -7.414 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.853 -8.873 -3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.413 -7.178 -3.285 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.953 -6.818 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 10 4.423 -7.765 -5.362 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.346 -9.324 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.458 -9.712 -5.129 1.00 0.00 H new ATOM 0 HE ARG A 10 0.651 -8.209 -5.878 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.127 -9.103 -8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.096 -8.730 -9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.652 -7.721 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.019 -7.956 -9.320 1.00 0.00 H new ATOM 162 N GLY A 11 6.634 -8.509 -3.471 1.00 0.00 N ATOM 163 CA GLY A 11 7.608 -9.578 -3.625 1.00 0.00 C ATOM 164 C GLY A 11 7.019 -10.804 -4.296 1.00 0.00 C ATOM 165 O GLY A 11 5.865 -10.789 -4.724 1.00 0.00 O ATOM 0 H GLY A 11 6.949 -7.593 -3.789 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.452 -9.216 -4.213 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.997 -9.855 -2.645 1.00 0.00 H new ATOM 169 N ARG A 12 7.804 -11.873 -4.383 1.00 0.00 N ATOM 170 CA ARG A 12 7.332 -13.105 -4.999 1.00 0.00 C ATOM 171 C ARG A 12 6.666 -13.999 -3.956 1.00 0.00 C ATOM 172 O ARG A 12 5.439 -14.032 -3.858 1.00 0.00 O ATOM 173 CB ARG A 12 8.484 -13.840 -5.694 1.00 0.00 C ATOM 174 CG ARG A 12 8.033 -14.703 -6.861 1.00 0.00 C ATOM 175 CD ARG A 12 8.891 -15.950 -6.997 1.00 0.00 C ATOM 176 NE ARG A 12 8.252 -16.966 -7.830 1.00 0.00 N ATOM 177 CZ ARG A 12 7.288 -17.776 -7.400 1.00 0.00 C ATOM 178 NH1 ARG A 12 6.850 -17.694 -6.151 1.00 0.00 N ATOM 179 NH2 ARG A 12 6.760 -18.672 -8.224 1.00 0.00 N ATOM 0 H ARG A 12 8.763 -11.910 -4.037 1.00 0.00 H new ATOM 0 HA ARG A 12 6.590 -12.851 -5.756 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.209 -13.108 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.997 -14.467 -4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.991 -14.991 -6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.082 -14.124 -7.783 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.855 -15.681 -7.429 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.089 -16.364 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 12 8.563 -17.060 -8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.252 -17.007 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.111 -18.318 -5.828 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.093 -18.739 -9.186 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.021 -19.294 -7.896 1.00 0.00 H new ATOM 193 N CYS A 13 7.480 -14.703 -3.164 1.00 0.00 N ATOM 194 CA CYS A 13 6.976 -15.586 -2.107 1.00 0.00 C ATOM 195 C CYS A 13 5.652 -16.249 -2.506 1.00 0.00 C ATOM 196 O CYS A 13 5.387 -16.460 -3.689 1.00 0.00 O ATOM 197 CB CYS A 13 6.807 -14.790 -0.808 1.00 0.00 C ATOM 198 SG CYS A 13 8.156 -13.608 -0.472 1.00 0.00 S ATOM 0 H CYS A 13 8.497 -14.678 -3.236 1.00 0.00 H new ATOM 0 HA CYS A 13 7.704 -16.382 -1.953 1.00 0.00 H new ATOM 0 HB2 CYS A 13 5.864 -14.245 -0.849 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.735 -15.488 0.026 1.00 0.00 H new ATOM 203 N LYS A 14 4.819 -16.568 -1.515 1.00 0.00 N ATOM 204 CA LYS A 14 3.525 -17.191 -1.774 1.00 0.00 C ATOM 205 C LYS A 14 2.398 -16.202 -1.494 1.00 0.00 C ATOM 206 O LYS A 14 1.471 -16.493 -0.739 1.00 0.00 O ATOM 207 CB LYS A 14 3.347 -18.454 -0.921 1.00 0.00 C ATOM 208 CG LYS A 14 4.037 -18.393 0.434 1.00 0.00 C ATOM 209 CD LYS A 14 3.367 -17.388 1.358 1.00 0.00 C ATOM 210 CE LYS A 14 2.013 -17.888 1.840 1.00 0.00 C ATOM 211 NZ LYS A 14 1.831 -17.680 3.302 1.00 0.00 N ATOM 0 H LYS A 14 5.019 -16.405 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 14 3.489 -17.480 -2.824 1.00 0.00 H new ATOM 0 HB2 LYS A 14 2.282 -18.628 -0.767 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.733 -19.310 -1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.021 -19.380 0.896 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.084 -18.122 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.011 -17.196 2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 3.241 -16.440 0.835 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.221 -17.370 1.299 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.915 -18.949 1.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.896 -18.034 3.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 2.571 -18.195 3.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.899 -16.665 3.519 1.00 0.00 H new ATOM 225 N ALA A 15 2.495 -15.024 -2.106 1.00 0.00 N ATOM 226 CA ALA A 15 1.498 -13.974 -1.926 1.00 0.00 C ATOM 227 C ALA A 15 0.082 -14.494 -2.148 1.00 0.00 C ATOM 228 O ALA A 15 -0.165 -15.291 -3.053 1.00 0.00 O ATOM 229 CB ALA A 15 1.784 -12.813 -2.867 1.00 0.00 C ATOM 0 H ALA A 15 3.259 -14.773 -2.734 1.00 0.00 H new ATOM 0 HA ALA A 15 1.565 -13.628 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.034 -12.035 -2.724 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.773 -12.407 -2.654 1.00 0.00 H new ATOM 0 HB3 ALA A 15 1.751 -13.164 -3.898 1.00 0.00 H new ATOM 235 N SER A 16 -0.846 -14.032 -1.315 1.00 0.00 N ATOM 236 CA SER A 16 -2.238 -14.446 -1.419 1.00 0.00 C ATOM 237 C SER A 16 -3.172 -13.443 -0.743 1.00 0.00 C ATOM 238 O SER A 16 -4.291 -13.789 -0.364 1.00 0.00 O ATOM 239 CB SER A 16 -2.426 -15.831 -0.796 1.00 0.00 C ATOM 240 OG SER A 16 -1.478 -16.061 0.233 1.00 0.00 O ATOM 0 H SER A 16 -0.657 -13.371 -0.561 1.00 0.00 H new ATOM 0 HA SER A 16 -2.493 -14.487 -2.478 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.434 -15.917 -0.391 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.325 -16.596 -1.566 1.00 0.00 H new ATOM 0 HG SER A 16 -0.606 -16.265 -0.165 1.00 0.00 H new ATOM 246 N PHE A 17 -2.715 -12.201 -0.593 1.00 0.00 N ATOM 247 CA PHE A 17 -3.528 -11.167 0.038 1.00 0.00 C ATOM 248 C PHE A 17 -3.607 -9.925 -0.846 1.00 0.00 C ATOM 249 O PHE A 17 -2.728 -9.685 -1.670 1.00 0.00 O ATOM 250 CB PHE A 17 -2.949 -10.800 1.405 1.00 0.00 C ATOM 251 CG PHE A 17 -3.047 -11.908 2.415 1.00 0.00 C ATOM 252 CD1 PHE A 17 -2.043 -12.857 2.523 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.145 -12.000 3.256 1.00 0.00 C ATOM 254 CE1 PHE A 17 -2.131 -13.877 3.451 1.00 0.00 C ATOM 255 CE2 PHE A 17 -4.238 -13.019 4.186 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.230 -13.958 4.283 1.00 0.00 C ATOM 0 H PHE A 17 -1.793 -11.889 -0.898 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.536 -11.560 0.172 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.902 -10.521 1.284 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.471 -9.923 1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.182 -12.799 1.874 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.936 -11.268 3.184 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.341 -14.610 3.525 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.098 -13.081 4.836 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.301 -14.755 5.009 1.00 0.00 H new ATOM 266 N GLU A 18 -4.664 -9.139 -0.667 1.00 0.00 N ATOM 267 CA GLU A 18 -4.851 -7.919 -1.448 1.00 0.00 C ATOM 268 C GLU A 18 -4.662 -6.688 -0.568 1.00 0.00 C ATOM 269 O GLU A 18 -5.290 -6.566 0.484 1.00 0.00 O ATOM 270 CB GLU A 18 -6.244 -7.900 -2.083 1.00 0.00 C ATOM 271 CG GLU A 18 -7.368 -8.158 -1.093 1.00 0.00 C ATOM 272 CD GLU A 18 -7.648 -9.636 -0.901 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.453 -10.193 -1.676 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.062 -10.235 0.024 1.00 0.00 O ATOM 0 H GLU A 18 -5.404 -9.324 0.011 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.103 -7.901 -2.241 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.404 -6.932 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.285 -8.652 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -7.110 -7.713 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.274 -7.662 -1.441 1.00 0.00 H new ATOM 281 N ARG A 19 -3.787 -5.782 -0.997 1.00 0.00 N ATOM 282 CA ARG A 19 -3.513 -4.570 -0.231 1.00 0.00 C ATOM 283 C ARG A 19 -3.526 -3.331 -1.123 1.00 0.00 C ATOM 284 O ARG A 19 -3.634 -3.429 -2.345 1.00 0.00 O ATOM 285 CB ARG A 19 -2.158 -4.691 0.472 1.00 0.00 C ATOM 286 CG ARG A 19 -2.260 -4.903 1.974 1.00 0.00 C ATOM 287 CD ARG A 19 -2.698 -6.318 2.311 1.00 0.00 C ATOM 288 NE ARG A 19 -3.329 -6.396 3.627 1.00 0.00 N ATOM 289 CZ ARG A 19 -4.261 -7.289 3.956 1.00 0.00 C ATOM 290 NH1 ARG A 19 -4.678 -8.186 3.071 1.00 0.00 N ATOM 291 NH2 ARG A 19 -4.778 -7.286 5.178 1.00 0.00 N ATOM 0 H ARG A 19 -3.259 -5.863 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.302 -4.458 0.513 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.606 -5.522 0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.579 -3.788 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.294 -4.701 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.971 -4.192 2.395 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.396 -6.672 1.552 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -1.834 -6.982 2.283 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.038 -5.725 4.338 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.284 -8.195 2.130 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.392 -8.866 3.332 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.462 -6.601 5.864 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.492 -7.969 5.431 1.00 0.00 H new ATOM 305 N TRP A 20 -3.407 -2.164 -0.494 1.00 0.00 N ATOM 306 CA TRP A 20 -3.394 -0.895 -1.211 1.00 0.00 C ATOM 307 C TRP A 20 -2.048 -0.199 -1.036 1.00 0.00 C ATOM 308 O TRP A 20 -1.393 -0.347 -0.005 1.00 0.00 O ATOM 309 CB TRP A 20 -4.520 0.011 -0.711 1.00 0.00 C ATOM 310 CG TRP A 20 -5.890 -0.530 -0.987 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.579 -1.439 -0.238 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.738 -0.195 -2.091 1.00 0.00 C ATOM 313 NE1 TRP A 20 -7.801 -1.691 -0.807 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.924 -0.938 -1.945 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.612 0.663 -3.188 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.974 -0.851 -2.853 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.656 0.749 -4.089 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.824 -0.005 -3.917 1.00 0.00 C ATOM 0 H TRP A 20 -3.318 -2.073 0.518 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.550 -1.097 -2.271 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.406 0.160 0.363 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.423 0.990 -1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.215 -1.894 0.671 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.504 -2.334 -0.442 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.715 1.248 -3.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.876 -1.431 -2.722 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.570 1.408 -4.940 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.622 0.084 -4.639 1.00 0.00 H new ATOM 329 N TYR A 21 -1.634 0.550 -2.051 1.00 0.00 N ATOM 330 CA TYR A 21 -0.356 1.256 -2.010 1.00 0.00 C ATOM 331 C TYR A 21 -0.500 2.666 -2.571 1.00 0.00 C ATOM 332 O TYR A 21 -1.101 2.866 -3.626 1.00 0.00 O ATOM 333 CB TYR A 21 0.709 0.483 -2.802 1.00 0.00 C ATOM 334 CG TYR A 21 0.153 -0.215 -4.022 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.789 -1.222 -3.888 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.548 0.150 -5.302 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.332 -1.842 -4.989 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.016 -0.476 -6.415 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.928 -1.469 -6.251 1.00 0.00 C ATOM 340 OH TYR A 21 -1.488 -2.073 -7.354 1.00 0.00 O ATOM 0 H TYR A 21 -2.163 0.685 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.041 1.326 -0.969 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.494 1.173 -3.112 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.174 -0.256 -2.149 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.103 -1.526 -2.900 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.280 0.933 -5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.072 -2.618 -4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.337 -0.189 -7.405 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.095 -1.696 -8.169 1.00 0.00 H new ATOM 350 N PHE A 22 0.055 3.639 -1.858 1.00 0.00 N ATOM 351 CA PHE A 22 -0.015 5.032 -2.286 1.00 0.00 C ATOM 352 C PHE A 22 0.846 5.264 -3.523 1.00 0.00 C ATOM 353 O PHE A 22 2.070 5.144 -3.471 1.00 0.00 O ATOM 354 CB PHE A 22 0.436 5.957 -1.154 1.00 0.00 C ATOM 355 CG PHE A 22 -0.364 7.225 -1.061 1.00 0.00 C ATOM 356 CD1 PHE A 22 -1.550 7.261 -0.347 1.00 0.00 C ATOM 357 CD2 PHE A 22 0.073 8.381 -1.688 1.00 0.00 C ATOM 358 CE1 PHE A 22 -2.286 8.426 -0.260 1.00 0.00 C ATOM 359 CE2 PHE A 22 -0.660 9.550 -1.604 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.841 9.572 -0.889 1.00 0.00 C ATOM 0 H PHE A 22 0.557 3.490 -0.983 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.051 5.258 -2.540 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.364 5.421 -0.207 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.486 6.209 -1.299 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.903 6.368 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.996 8.368 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.209 8.441 0.300 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.309 10.445 -2.097 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.416 10.484 -0.822 1.00 0.00 H new ATOM 370 N ASN A 23 0.198 5.596 -4.635 1.00 0.00 N ATOM 371 CA ASN A 23 0.904 5.845 -5.887 1.00 0.00 C ATOM 372 C ASN A 23 1.185 7.334 -6.070 1.00 0.00 C ATOM 373 O ASN A 23 1.024 7.878 -7.163 1.00 0.00 O ATOM 374 CB ASN A 23 0.091 5.317 -7.069 1.00 0.00 C ATOM 375 CG ASN A 23 0.968 4.874 -8.224 1.00 0.00 C ATOM 376 OD1 ASN A 23 2.155 5.197 -8.275 1.00 0.00 O ATOM 377 ND2 ASN A 23 0.387 4.132 -9.158 1.00 0.00 N ATOM 0 H ASN A 23 -0.815 5.699 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 23 1.857 5.318 -5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.521 4.478 -6.739 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.592 6.094 -7.412 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.927 3.805 -9.959 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.600 3.888 -9.075 1.00 0.00 H new ATOM 384 N GLY A 24 1.612 7.987 -4.994 1.00 0.00 N ATOM 385 CA GLY A 24 1.919 9.403 -5.056 1.00 0.00 C ATOM 386 C GLY A 24 0.682 10.275 -5.160 1.00 0.00 C ATOM 387 O GLY A 24 0.319 10.962 -4.205 1.00 0.00 O ATOM 0 H GLY A 24 1.751 7.559 -4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.482 9.686 -4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.563 9.592 -5.915 1.00 0.00 H new ATOM 391 N ARG A 25 0.040 10.260 -6.324 1.00 0.00 N ATOM 392 CA ARG A 25 -1.153 11.070 -6.548 1.00 0.00 C ATOM 393 C ARG A 25 -2.429 10.282 -6.265 1.00 0.00 C ATOM 394 O ARG A 25 -3.426 10.846 -5.814 1.00 0.00 O ATOM 395 CB ARG A 25 -1.176 11.593 -7.986 1.00 0.00 C ATOM 396 CG ARG A 25 -0.992 10.509 -9.035 1.00 0.00 C ATOM 397 CD ARG A 25 0.407 10.534 -9.634 1.00 0.00 C ATOM 398 NE ARG A 25 0.382 10.780 -11.074 1.00 0.00 N ATOM 399 CZ ARG A 25 1.445 11.162 -11.779 1.00 0.00 C ATOM 400 NH1 ARG A 25 2.617 11.341 -11.182 1.00 0.00 N ATOM 401 NH2 ARG A 25 1.336 11.363 -13.084 1.00 0.00 N ATOM 0 H ARG A 25 0.325 9.697 -7.125 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.114 11.911 -5.856 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.124 12.100 -8.163 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.389 12.338 -8.105 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.178 9.533 -8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.729 10.641 -9.827 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.997 11.309 -9.144 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.903 9.583 -9.437 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.501 10.652 -11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.707 11.186 -10.178 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.428 11.634 -11.727 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.438 11.225 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.150 11.656 -13.625 1.00 0.00 H new ATOM 415 N THR A 26 -2.398 8.981 -6.534 1.00 0.00 N ATOM 416 CA THR A 26 -3.564 8.133 -6.308 1.00 0.00 C ATOM 417 C THR A 26 -3.159 6.783 -5.727 1.00 0.00 C ATOM 418 O THR A 26 -1.979 6.436 -5.700 1.00 0.00 O ATOM 419 CB THR A 26 -4.331 7.930 -7.616 1.00 0.00 C ATOM 420 OG1 THR A 26 -5.504 7.164 -7.398 1.00 0.00 O ATOM 421 CG2 THR A 26 -3.515 7.233 -8.685 1.00 0.00 C ATOM 0 H THR A 26 -1.584 8.493 -6.907 1.00 0.00 H new ATOM 0 HA THR A 26 -4.210 8.634 -5.587 1.00 0.00 H new ATOM 0 HB THR A 26 -4.577 8.933 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 26 -5.981 7.047 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.117 7.120 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.630 7.827 -8.912 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.210 6.250 -8.327 1.00 0.00 H new ATOM 429 N CYS A 27 -4.148 6.023 -5.263 1.00 0.00 N ATOM 430 CA CYS A 27 -3.897 4.709 -4.684 1.00 0.00 C ATOM 431 C CYS A 27 -3.948 3.626 -5.756 1.00 0.00 C ATOM 432 O CYS A 27 -4.256 3.896 -6.916 1.00 0.00 O ATOM 433 CB CYS A 27 -4.918 4.409 -3.585 1.00 0.00 C ATOM 434 SG CYS A 27 -4.247 3.443 -2.192 1.00 0.00 S ATOM 0 H CYS A 27 -5.131 6.296 -5.277 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.898 4.715 -4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.313 5.351 -3.204 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.756 3.865 -4.021 1.00 0.00 H new ATOM 439 N ALA A 28 -3.632 2.400 -5.357 1.00 0.00 N ATOM 440 CA ALA A 28 -3.628 1.269 -6.276 1.00 0.00 C ATOM 441 C ALA A 28 -3.955 -0.034 -5.546 1.00 0.00 C ATOM 442 O ALA A 28 -4.131 -0.039 -4.327 1.00 0.00 O ATOM 443 CB ALA A 28 -2.292 1.183 -6.991 1.00 0.00 C ATOM 0 H ALA A 28 -3.374 2.163 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.406 1.425 -7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.299 0.335 -7.675 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.120 2.101 -7.553 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.495 1.052 -6.259 1.00 0.00 H new ATOM 449 N LYS A 29 -4.055 -1.133 -6.294 1.00 0.00 N ATOM 450 CA LYS A 29 -4.386 -2.429 -5.703 1.00 0.00 C ATOM 451 C LYS A 29 -3.580 -3.556 -6.340 1.00 0.00 C ATOM 452 O LYS A 29 -3.362 -3.576 -7.551 1.00 0.00 O ATOM 453 CB LYS A 29 -5.883 -2.711 -5.852 1.00 0.00 C ATOM 454 CG LYS A 29 -6.372 -3.866 -4.992 1.00 0.00 C ATOM 455 CD LYS A 29 -7.730 -3.568 -4.377 1.00 0.00 C ATOM 456 CE LYS A 29 -7.816 -4.074 -2.946 1.00 0.00 C ATOM 457 NZ LYS A 29 -9.222 -4.122 -2.457 1.00 0.00 N ATOM 0 H LYS A 29 -3.913 -1.152 -7.304 1.00 0.00 H new ATOM 0 HA LYS A 29 -4.129 -2.386 -4.645 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.442 -1.812 -5.591 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -6.101 -2.929 -6.897 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -6.436 -4.770 -5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.649 -4.063 -4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -7.911 -2.493 -4.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.512 -4.034 -4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.377 -5.070 -2.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.228 -3.426 -2.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -9.295 -4.804 -1.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.505 -3.179 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -9.849 -4.416 -3.233 1.00 0.00 H new ATOM 471 N PHE A 30 -3.137 -4.491 -5.505 1.00 0.00 N ATOM 472 CA PHE A 30 -2.344 -5.625 -5.966 1.00 0.00 C ATOM 473 C PHE A 30 -2.328 -6.742 -4.929 1.00 0.00 C ATOM 474 O PHE A 30 -2.877 -6.597 -3.838 1.00 0.00 O ATOM 475 CB PHE A 30 -0.913 -5.182 -6.301 1.00 0.00 C ATOM 476 CG PHE A 30 -0.101 -4.687 -5.126 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.670 -4.513 -3.869 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.243 -4.393 -5.289 1.00 0.00 C ATOM 479 CE1 PHE A 30 0.088 -4.057 -2.807 1.00 0.00 C ATOM 480 CE2 PHE A 30 2.004 -3.938 -4.229 1.00 0.00 C ATOM 481 CZ PHE A 30 1.425 -3.770 -2.986 1.00 0.00 C ATOM 0 H PHE A 30 -3.315 -4.485 -4.501 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.809 -6.013 -6.872 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.388 -6.021 -6.758 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.960 -4.390 -7.049 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.716 -4.737 -3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.702 -4.521 -6.258 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.367 -3.925 -1.836 1.00 0.00 H new ATOM 0 HE2 PHE A 30 3.051 -3.714 -4.372 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.018 -3.415 -2.156 1.00 0.00 H new ATOM 491 N ILE A 31 -1.695 -7.858 -5.275 1.00 0.00 N ATOM 492 CA ILE A 31 -1.613 -8.990 -4.372 1.00 0.00 C ATOM 493 C ILE A 31 -0.378 -8.864 -3.493 1.00 0.00 C ATOM 494 O ILE A 31 0.743 -9.074 -3.948 1.00 0.00 O ATOM 495 CB ILE A 31 -1.558 -10.320 -5.147 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.760 -10.438 -6.084 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.512 -11.500 -4.185 1.00 0.00 C ATOM 498 CD1 ILE A 31 -4.089 -10.483 -5.360 1.00 0.00 C ATOM 0 H ILE A 31 -1.233 -7.998 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.509 -8.990 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.648 -10.333 -5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.759 -9.592 -6.772 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.653 -11.340 -6.687 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.474 -12.430 -4.752 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.626 -11.422 -3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.404 -11.494 -3.558 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.897 -10.567 -6.087 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.111 -11.344 -4.692 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.218 -9.570 -4.779 1.00 0.00 H new ATOM 510 N TYR A 32 -0.594 -8.505 -2.237 1.00 0.00 N ATOM 511 CA TYR A 32 0.500 -8.333 -1.298 1.00 0.00 C ATOM 512 C TYR A 32 0.818 -9.641 -0.588 1.00 0.00 C ATOM 513 O TYR A 32 -0.009 -10.185 0.146 1.00 0.00 O ATOM 514 CB TYR A 32 0.148 -7.250 -0.276 1.00 0.00 C ATOM 515 CG TYR A 32 1.258 -6.946 0.704 1.00 0.00 C ATOM 516 CD1 TYR A 32 2.506 -6.522 0.263 1.00 0.00 C ATOM 517 CD2 TYR A 32 1.056 -7.079 2.072 1.00 0.00 C ATOM 518 CE1 TYR A 32 3.520 -6.239 1.159 1.00 0.00 C ATOM 519 CE2 TYR A 32 2.065 -6.797 2.973 1.00 0.00 C ATOM 520 CZ TYR A 32 3.294 -6.379 2.512 1.00 0.00 C ATOM 521 OH TYR A 32 4.301 -6.099 3.407 1.00 0.00 O ATOM 0 H TYR A 32 -1.519 -8.327 -1.845 1.00 0.00 H new ATOM 0 HA TYR A 32 1.385 -8.024 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.115 -6.335 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -0.737 -7.562 0.278 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.686 -6.412 -0.796 1.00 0.00 H new ATOM 0 HD2 TYR A 32 0.094 -7.408 2.437 1.00 0.00 H new ATOM 0 HE1 TYR A 32 4.484 -5.910 0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.891 -6.904 4.034 1.00 0.00 H new ATOM 0 HH TYR A 32 3.978 -6.247 4.320 1.00 0.00 H new ATOM 531 N GLY A 33 2.023 -10.142 -0.825 1.00 0.00 N ATOM 532 CA GLY A 33 2.444 -11.386 -0.208 1.00 0.00 C ATOM 533 C GLY A 33 3.269 -11.167 1.048 1.00 0.00 C ATOM 534 O GLY A 33 3.903 -12.096 1.549 1.00 0.00 O ATOM 0 H GLY A 33 2.718 -9.709 -1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.564 -11.980 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.028 -11.963 -0.925 1.00 0.00 H new ATOM 538 N GLY A 34 3.258 -9.940 1.562 1.00 0.00 N ATOM 539 CA GLY A 34 4.013 -9.634 2.764 1.00 0.00 C ATOM 540 C GLY A 34 5.501 -9.473 2.507 1.00 0.00 C ATOM 541 O GLY A 34 6.275 -9.268 3.441 1.00 0.00 O ATOM 0 H GLY A 34 2.741 -9.154 1.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.625 -8.716 3.206 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.860 -10.429 3.494 1.00 0.00 H new ATOM 545 N CYS A 35 5.906 -9.571 1.244 1.00 0.00 N ATOM 546 CA CYS A 35 7.314 -9.437 0.883 1.00 0.00 C ATOM 547 C CYS A 35 7.572 -8.141 0.118 1.00 0.00 C ATOM 548 O CYS A 35 7.303 -8.049 -1.081 1.00 0.00 O ATOM 549 CB CYS A 35 7.758 -10.641 0.048 1.00 0.00 C ATOM 550 SG CYS A 35 7.310 -12.251 0.778 1.00 0.00 S ATOM 0 H CYS A 35 5.282 -9.742 0.456 1.00 0.00 H new ATOM 0 HA CYS A 35 7.897 -9.403 1.804 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.313 -10.567 -0.944 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.839 -10.601 -0.083 1.00 0.00 H new ATOM 555 N GLY A 36 8.101 -7.142 0.819 1.00 0.00 N ATOM 556 CA GLY A 36 8.393 -5.866 0.189 1.00 0.00 C ATOM 557 C GLY A 36 7.472 -4.755 0.657 1.00 0.00 C ATOM 558 O GLY A 36 7.088 -3.889 -0.129 1.00 0.00 O ATOM 0 H GLY A 36 8.333 -7.193 1.811 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.426 -5.589 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 36 8.307 -5.972 -0.892 1.00 0.00 H new ATOM 562 N GLY A 37 7.118 -4.776 1.937 1.00 0.00 N ATOM 563 CA GLY A 37 6.241 -3.755 2.480 1.00 0.00 C ATOM 564 C GLY A 37 6.872 -3.001 3.634 1.00 0.00 C ATOM 565 O GLY A 37 7.772 -3.512 4.300 1.00 0.00 O ATOM 0 H GLY A 37 7.422 -5.481 2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.977 -3.051 1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.314 -4.219 2.817 1.00 0.00 H new ATOM 569 N ASN A 38 6.397 -1.784 3.871 1.00 0.00 N ATOM 570 CA ASN A 38 6.919 -0.955 4.953 1.00 0.00 C ATOM 571 C ASN A 38 5.846 0.002 5.467 1.00 0.00 C ATOM 572 O ASN A 38 5.219 -0.249 6.497 1.00 0.00 O ATOM 573 CB ASN A 38 8.151 -0.168 4.488 1.00 0.00 C ATOM 574 CG ASN A 38 8.118 0.157 3.004 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.062 0.454 2.446 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.278 0.100 2.359 1.00 0.00 N ATOM 0 H ASN A 38 5.651 -1.348 3.329 1.00 0.00 H new ATOM 0 HA ASN A 38 7.216 -1.614 5.769 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.220 0.759 5.057 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.049 -0.745 4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.317 0.307 1.361 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.129 -0.151 2.862 1.00 0.00 H new ATOM 583 N GLY A 39 5.635 1.098 4.744 1.00 0.00 N ATOM 584 CA GLY A 39 4.636 2.072 5.145 1.00 0.00 C ATOM 585 C GLY A 39 3.765 2.535 3.990 1.00 0.00 C ATOM 586 O GLY A 39 2.873 3.364 4.176 1.00 0.00 O ATOM 0 H GLY A 39 6.138 1.329 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.003 1.638 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.134 2.935 5.587 1.00 0.00 H new ATOM 590 N ASN A 40 4.018 2.006 2.795 1.00 0.00 N ATOM 591 CA ASN A 40 3.247 2.378 1.615 1.00 0.00 C ATOM 592 C ASN A 40 2.040 1.463 1.441 1.00 0.00 C ATOM 593 O ASN A 40 1.009 1.875 0.908 1.00 0.00 O ATOM 594 CB ASN A 40 4.129 2.320 0.368 1.00 0.00 C ATOM 595 CG ASN A 40 3.524 3.064 -0.806 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.152 2.463 -1.813 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.421 4.383 -0.680 1.00 0.00 N ATOM 0 H ASN A 40 4.751 1.319 2.620 1.00 0.00 H new ATOM 0 HA ASN A 40 2.888 3.398 1.753 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.106 2.744 0.598 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.291 1.279 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.021 4.938 -1.436 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.742 4.840 0.173 1.00 0.00 H new ATOM 604 N LYS A 41 2.176 0.218 1.891 1.00 0.00 N ATOM 605 CA LYS A 41 1.096 -0.756 1.784 1.00 0.00 C ATOM 606 C LYS A 41 0.024 -0.506 2.841 1.00 0.00 C ATOM 607 O LYS A 41 0.314 -0.004 3.927 1.00 0.00 O ATOM 608 CB LYS A 41 1.647 -2.176 1.926 1.00 0.00 C ATOM 609 CG LYS A 41 2.514 -2.372 3.162 1.00 0.00 C ATOM 610 CD LYS A 41 1.989 -3.496 4.040 1.00 0.00 C ATOM 611 CE LYS A 41 0.881 -3.012 4.961 1.00 0.00 C ATOM 612 NZ LYS A 41 0.669 -3.935 6.111 1.00 0.00 N ATOM 0 H LYS A 41 3.023 -0.139 2.333 1.00 0.00 H new ATOM 0 HA LYS A 41 0.640 -0.645 0.800 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.814 -2.878 1.962 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.232 -2.420 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.537 -2.594 2.858 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.546 -1.446 3.736 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.615 -4.305 3.412 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.805 -3.906 4.635 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.128 -2.018 5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.046 -2.919 4.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.095 -3.568 6.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.408 -4.877 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.546 -4.005 6.666 1.00 0.00 H new ATOM 626 N PHE A 42 -1.214 -0.860 2.513 1.00 0.00 N ATOM 627 CA PHE A 42 -2.333 -0.678 3.430 1.00 0.00 C ATOM 628 C PHE A 42 -3.402 -1.744 3.195 1.00 0.00 C ATOM 629 O PHE A 42 -3.651 -2.139 2.058 1.00 0.00 O ATOM 630 CB PHE A 42 -2.939 0.717 3.261 1.00 0.00 C ATOM 631 CG PHE A 42 -2.050 1.821 3.760 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.742 1.924 5.107 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.523 2.754 2.882 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.925 2.938 5.570 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.705 3.770 3.338 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.406 3.862 4.684 1.00 0.00 C ATOM 0 H PHE A 42 -1.468 -1.276 1.617 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.959 -0.780 4.449 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.156 0.885 2.206 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.890 0.758 3.793 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.145 1.203 5.803 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.754 2.687 1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.693 3.008 6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.300 4.491 2.644 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.233 4.655 5.043 1.00 0.00 H new ATOM 646 N PRO A 43 -4.051 -2.225 4.269 1.00 0.00 N ATOM 647 CA PRO A 43 -5.093 -3.253 4.166 1.00 0.00 C ATOM 648 C PRO A 43 -6.295 -2.789 3.349 1.00 0.00 C ATOM 649 O PRO A 43 -6.792 -3.518 2.492 1.00 0.00 O ATOM 650 CB PRO A 43 -5.500 -3.508 5.622 1.00 0.00 C ATOM 651 CG PRO A 43 -5.056 -2.295 6.367 1.00 0.00 C ATOM 652 CD PRO A 43 -3.821 -1.812 5.664 1.00 0.00 C ATOM 0 HA PRO A 43 -4.729 -4.143 3.652 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.577 -3.653 5.711 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.024 -4.407 6.013 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.832 -1.529 6.365 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.845 -2.532 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -3.703 -0.732 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.919 -2.265 6.076 1.00 0.00 H new ATOM 660 N THR A 44 -6.761 -1.574 3.622 1.00 0.00 N ATOM 661 CA THR A 44 -7.910 -1.022 2.910 1.00 0.00 C ATOM 662 C THR A 44 -7.587 0.349 2.325 1.00 0.00 C ATOM 663 O THR A 44 -6.595 0.977 2.698 1.00 0.00 O ATOM 664 CB THR A 44 -9.113 -0.917 3.847 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.719 -0.418 5.114 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.814 -2.239 4.073 1.00 0.00 C ATOM 0 H THR A 44 -6.363 -0.955 4.328 1.00 0.00 H new ATOM 0 HA THR A 44 -8.152 -1.697 2.089 1.00 0.00 H new ATOM 0 HB THR A 44 -9.806 -0.237 3.352 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.503 -0.356 5.699 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.658 -2.093 4.747 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.174 -2.628 3.120 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.116 -2.950 4.515 1.00 0.00 H new ATOM 674 N GLN A 45 -8.433 0.808 1.408 1.00 0.00 N ATOM 675 CA GLN A 45 -8.240 2.106 0.770 1.00 0.00 C ATOM 676 C GLN A 45 -8.384 3.236 1.785 1.00 0.00 C ATOM 677 O GLN A 45 -7.770 4.294 1.645 1.00 0.00 O ATOM 678 CB GLN A 45 -9.246 2.295 -0.366 1.00 0.00 C ATOM 679 CG GLN A 45 -8.752 3.217 -1.469 1.00 0.00 C ATOM 680 CD GLN A 45 -9.829 4.162 -1.964 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.513 3.883 -2.949 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.984 5.291 -1.282 1.00 0.00 N ATOM 0 H GLN A 45 -9.259 0.301 1.090 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.231 2.135 0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.483 1.322 -0.796 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.173 2.696 0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -7.906 3.797 -1.101 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.388 2.617 -2.303 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.395 5.482 -0.471 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.692 5.967 -1.569 1.00 0.00 H new ATOM 691 N GLU A 46 -9.201 3.006 2.810 1.00 0.00 N ATOM 692 CA GLU A 46 -9.423 4.004 3.848 1.00 0.00 C ATOM 693 C GLU A 46 -8.103 4.422 4.489 1.00 0.00 C ATOM 694 O GLU A 46 -7.867 5.604 4.733 1.00 0.00 O ATOM 695 CB GLU A 46 -10.374 3.457 4.915 1.00 0.00 C ATOM 696 CG GLU A 46 -11.416 4.464 5.375 1.00 0.00 C ATOM 697 CD GLU A 46 -12.227 5.029 4.225 1.00 0.00 C ATOM 698 OE1 GLU A 46 -13.249 4.412 3.860 1.00 0.00 O ATOM 699 OE2 GLU A 46 -11.840 6.089 3.690 1.00 0.00 O ATOM 0 H GLU A 46 -9.719 2.137 2.942 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.875 4.881 3.386 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.881 2.576 4.521 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.791 3.130 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -12.088 3.986 6.088 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.920 5.280 5.901 1.00 0.00 H new ATOM 706 N ALA A 47 -7.245 3.442 4.754 1.00 0.00 N ATOM 707 CA ALA A 47 -5.948 3.707 5.363 1.00 0.00 C ATOM 708 C ALA A 47 -4.994 4.357 4.364 1.00 0.00 C ATOM 709 O ALA A 47 -4.062 5.062 4.750 1.00 0.00 O ATOM 710 CB ALA A 47 -5.347 2.419 5.907 1.00 0.00 C ATOM 0 H ALA A 47 -7.425 2.458 4.556 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.098 4.403 6.189 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.378 2.632 6.359 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.013 1.996 6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.219 1.705 5.093 1.00 0.00 H new ATOM 716 N CYS A 48 -5.235 4.115 3.078 1.00 0.00 N ATOM 717 CA CYS A 48 -4.397 4.677 2.023 1.00 0.00 C ATOM 718 C CYS A 48 -4.343 6.198 2.122 1.00 0.00 C ATOM 719 O CYS A 48 -3.264 6.791 2.143 1.00 0.00 O ATOM 720 CB CYS A 48 -4.928 4.264 0.648 1.00 0.00 C ATOM 721 SG CYS A 48 -3.906 4.832 -0.750 1.00 0.00 S ATOM 0 H CYS A 48 -6.003 3.534 2.742 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.387 4.286 2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.002 3.177 0.611 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.938 4.657 0.528 1.00 0.00 H new ATOM 726 N MET A 49 -5.513 6.826 2.180 1.00 0.00 N ATOM 727 CA MET A 49 -5.597 8.279 2.273 1.00 0.00 C ATOM 728 C MET A 49 -5.606 8.741 3.728 1.00 0.00 C ATOM 729 O MET A 49 -5.178 9.851 4.038 1.00 0.00 O ATOM 730 CB MET A 49 -6.851 8.783 1.559 1.00 0.00 C ATOM 731 CG MET A 49 -6.828 8.559 0.056 1.00 0.00 C ATOM 732 SD MET A 49 -7.746 9.820 -0.849 1.00 0.00 S ATOM 733 CE MET A 49 -6.589 11.187 -0.790 1.00 0.00 C ATOM 0 H MET A 49 -6.416 6.352 2.164 1.00 0.00 H new ATOM 0 HA MET A 49 -4.715 8.697 1.788 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.724 8.283 1.979 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.968 9.848 1.757 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.794 8.549 -0.290 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.248 7.579 -0.168 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.725 11.817 -1.669 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.767 11.776 0.110 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.570 10.801 -0.775 1.00 0.00 H new ATOM 743 N LYS A 50 -6.100 7.886 4.616 1.00 0.00 N ATOM 744 CA LYS A 50 -6.167 8.216 6.036 1.00 0.00 C ATOM 745 C LYS A 50 -4.778 8.236 6.673 1.00 0.00 C ATOM 746 O LYS A 50 -4.599 8.770 7.767 1.00 0.00 O ATOM 747 CB LYS A 50 -7.061 7.215 6.770 1.00 0.00 C ATOM 748 CG LYS A 50 -7.226 7.515 8.251 1.00 0.00 C ATOM 749 CD LYS A 50 -8.003 8.802 8.475 1.00 0.00 C ATOM 750 CE LYS A 50 -7.467 9.575 9.669 1.00 0.00 C ATOM 751 NZ LYS A 50 -8.475 10.526 10.214 1.00 0.00 N ATOM 0 H LYS A 50 -6.459 6.961 4.379 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.594 9.215 6.124 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.044 7.205 6.299 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.642 6.215 6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.744 6.687 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.245 7.595 8.719 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.945 9.424 7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.056 8.570 8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.169 8.875 10.450 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.573 10.124 9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -7.989 11.344 10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.098 10.850 9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.043 10.049 10.943 1.00 0.00 H new ATOM 765 N ARG A 51 -3.799 7.646 5.991 1.00 0.00 N ATOM 766 CA ARG A 51 -2.435 7.598 6.511 1.00 0.00 C ATOM 767 C ARG A 51 -1.493 8.490 5.706 1.00 0.00 C ATOM 768 O ARG A 51 -0.495 8.983 6.233 1.00 0.00 O ATOM 769 CB ARG A 51 -1.920 6.158 6.504 1.00 0.00 C ATOM 770 CG ARG A 51 -0.964 5.847 7.645 1.00 0.00 C ATOM 771 CD ARG A 51 -1.669 5.898 8.991 1.00 0.00 C ATOM 772 NE ARG A 51 -2.789 4.961 9.059 1.00 0.00 N ATOM 773 CZ ARG A 51 -2.653 3.659 9.301 1.00 0.00 C ATOM 774 NH1 ARG A 51 -1.449 3.134 9.494 1.00 0.00 N ATOM 775 NH2 ARG A 51 -3.724 2.880 9.349 1.00 0.00 N ATOM 0 H ARG A 51 -3.923 7.197 5.083 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.458 7.972 7.535 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.769 5.477 6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.416 5.966 5.557 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.529 4.858 7.498 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.141 6.562 7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.956 5.668 9.783 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.031 6.910 9.172 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.730 5.326 8.912 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.621 3.729 9.457 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -1.352 2.136 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.651 3.278 9.201 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.621 1.882 9.534 1.00 0.00 H new ATOM 789 N CYS A 52 -1.803 8.691 4.429 1.00 0.00 N ATOM 790 CA CYS A 52 -0.966 9.519 3.566 1.00 0.00 C ATOM 791 C CYS A 52 -1.606 10.880 3.300 1.00 0.00 C ATOM 792 O CYS A 52 -0.907 11.864 3.057 1.00 0.00 O ATOM 793 CB CYS A 52 -0.696 8.801 2.243 1.00 0.00 C ATOM 794 SG CYS A 52 0.954 8.034 2.136 1.00 0.00 S ATOM 0 H CYS A 52 -2.623 8.294 3.970 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.022 9.687 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.453 8.030 2.099 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.807 9.514 1.426 1.00 0.00 H new ATOM 799 N ALA A 53 -2.932 10.933 3.342 1.00 0.00 N ATOM 800 CA ALA A 53 -3.650 12.180 3.100 1.00 0.00 C ATOM 801 C ALA A 53 -3.986 12.887 4.408 1.00 0.00 C ATOM 802 O ALA A 53 -3.689 14.070 4.578 1.00 0.00 O ATOM 803 CB ALA A 53 -4.918 11.914 2.300 1.00 0.00 C ATOM 0 H ALA A 53 -3.530 10.131 3.540 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.999 12.836 2.522 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.443 12.853 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.656 11.463 1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.564 11.235 2.857 1.00 0.00 H new ATOM 809 N LYS A 54 -4.606 12.157 5.329 1.00 0.00 N ATOM 810 CA LYS A 54 -4.980 12.719 6.620 1.00 0.00 C ATOM 811 C LYS A 54 -3.747 12.961 7.486 1.00 0.00 C ATOM 812 O LYS A 54 -3.481 14.088 7.905 1.00 0.00 O ATOM 813 CB LYS A 54 -5.953 11.787 7.345 1.00 0.00 C ATOM 814 CG LYS A 54 -7.413 12.140 7.115 1.00 0.00 C ATOM 815 CD LYS A 54 -7.753 12.158 5.633 1.00 0.00 C ATOM 816 CE LYS A 54 -9.223 12.466 5.401 1.00 0.00 C ATOM 817 NZ LYS A 54 -9.424 13.371 4.236 1.00 0.00 N ATOM 0 H LYS A 54 -4.859 11.177 5.205 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.471 13.676 6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.778 10.763 7.014 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.744 11.817 8.414 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.049 11.417 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.626 13.116 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.140 12.904 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.509 11.192 5.191 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.767 11.536 5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.643 12.927 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.440 13.556 4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.926 14.269 4.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -9.047 12.921 3.378 1.00 0.00 H new ATOM 831 N ALA A 55 -2.997 11.896 7.748 1.00 0.00 N ATOM 832 CA ALA A 55 -1.792 11.993 8.563 1.00 0.00 C ATOM 833 C ALA A 55 -0.767 12.919 7.918 1.00 0.00 C ATOM 834 O ALA A 55 0.401 12.907 8.360 1.00 0.00 O ATOM 835 CB ALA A 55 -1.194 10.611 8.784 1.00 0.00 C ATOM 836 OXT ALA A 55 -1.140 13.650 6.976 1.00 0.00 O ATOM 0 H ALA A 55 -3.202 10.956 7.408 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.068 12.417 9.529 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.295 10.697 9.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.920 9.978 9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.939 10.167 7.822 1.00 0.00 H new