USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 75 THR OG1 : rot 14:sc= 0.28 USER MOD Set 1.2: A 79 TYR OH : rot 1:sc= 1.63 USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.42 K(o=-2,f=-7!) USER MOD Set 2.2: A 65 THR OG1 : rot -50:sc= -0.596 USER MOD Single : A 6 SER OG : rot 180:sc= -0.823 USER MOD Single : A 7 SER OG : rot 180:sc=-0.000158 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.268 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 159:sc=-0.000274 (180deg=-0.0718) USER MOD Single : A 41 THR OG1 : rot -60:sc= 0.295 USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl -152:sc= -1.75 (180deg=-5.02!) USER MOD Single : A 69 THR OG1 : rot 180:sc=-0.00017 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 168:sc= -1.31 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 29:sc= 0.228 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 56 N LEU A 4 9.360 3.323 -5.467 1.00 0.78 N ATOM 57 CA LEU A 4 9.506 2.048 -6.148 1.00 0.57 C ATOM 58 C LEU A 4 9.425 2.270 -7.660 1.00 0.52 C ATOM 59 O LEU A 4 9.135 3.375 -8.114 1.00 0.56 O ATOM 60 CB LEU A 4 8.486 1.037 -5.619 1.00 0.83 C ATOM 61 CG LEU A 4 7.041 1.239 -6.079 1.00 0.49 C ATOM 62 CD1 LEU A 4 6.699 2.727 -6.175 1.00 0.69 C ATOM 63 CD2 LEU A 4 6.777 0.504 -7.395 1.00 0.50 C ATOM 0 HA LEU A 4 10.485 1.616 -5.941 1.00 0.57 H new ATOM 0 HB2 LEU A 4 8.805 0.039 -5.918 1.00 0.83 H new ATOM 0 HB3 LEU A 4 8.507 1.066 -4.530 1.00 0.83 H new ATOM 0 HG LEU A 4 6.380 0.805 -5.329 1.00 0.49 H new ATOM 0 HD11 LEU A 4 5.666 2.842 -6.504 1.00 0.69 H new ATOM 0 HD12 LEU A 4 6.823 3.193 -5.197 1.00 0.69 H new ATOM 0 HD13 LEU A 4 7.364 3.208 -6.892 1.00 0.69 H new ATOM 0 HD21 LEU A 4 5.743 0.664 -7.700 1.00 0.50 H new ATOM 0 HD22 LEU A 4 7.446 0.887 -8.166 1.00 0.50 H new ATOM 0 HD23 LEU A 4 6.954 -0.563 -7.258 1.00 0.50 H new ATOM 75 N VAL A 5 9.685 1.200 -8.397 1.00 0.49 N ATOM 76 CA VAL A 5 9.644 1.264 -9.849 1.00 0.49 C ATOM 77 C VAL A 5 8.267 1.759 -10.295 1.00 0.45 C ATOM 78 O VAL A 5 8.096 2.938 -10.602 1.00 0.51 O ATOM 79 CB VAL A 5 10.012 -0.097 -10.443 1.00 0.53 C ATOM 80 CG1 VAL A 5 9.576 -0.191 -11.906 1.00 0.68 C ATOM 81 CG2 VAL A 5 11.510 -0.371 -10.299 1.00 0.63 C ATOM 0 H VAL A 5 9.925 0.284 -8.017 1.00 0.49 H new ATOM 0 HA VAL A 5 10.381 1.976 -10.221 1.00 0.49 H new ATOM 0 HB VAL A 5 9.476 -0.863 -9.883 1.00 0.53 H new ATOM 0 HG11 VAL A 5 9.849 -1.168 -12.305 1.00 0.68 H new ATOM 0 HG12 VAL A 5 8.496 -0.061 -11.973 1.00 0.68 H new ATOM 0 HG13 VAL A 5 10.072 0.589 -12.484 1.00 0.68 H new ATOM 0 HG21 VAL A 5 11.745 -1.345 -10.729 1.00 0.63 H new ATOM 0 HG22 VAL A 5 12.073 0.402 -10.822 1.00 0.63 H new ATOM 0 HG23 VAL A 5 11.781 -0.366 -9.243 1.00 0.63 H new ATOM 91 N SER A 6 7.319 0.833 -10.317 1.00 0.40 N ATOM 92 CA SER A 6 5.962 1.160 -10.720 1.00 0.37 C ATOM 93 C SER A 6 4.960 0.359 -9.885 1.00 0.33 C ATOM 94 O SER A 6 5.258 -0.753 -9.451 1.00 0.33 O ATOM 95 CB SER A 6 5.749 0.887 -12.210 1.00 0.40 C ATOM 96 OG SER A 6 6.905 1.204 -12.980 1.00 0.50 O ATOM 0 H SER A 6 7.464 -0.144 -10.062 1.00 0.40 H new ATOM 0 HA SER A 6 5.801 2.224 -10.547 1.00 0.37 H new ATOM 0 HB2 SER A 6 5.494 -0.163 -12.354 1.00 0.40 H new ATOM 0 HB3 SER A 6 4.902 1.472 -12.569 1.00 0.40 H new ATOM 0 HG SER A 6 6.730 1.015 -13.926 1.00 0.50 H new ATOM 102 N SER A 7 3.795 0.956 -9.685 1.00 0.32 N ATOM 103 CA SER A 7 2.747 0.312 -8.910 1.00 0.30 C ATOM 104 C SER A 7 1.385 0.901 -9.279 1.00 0.33 C ATOM 105 O SER A 7 1.311 1.947 -9.925 1.00 0.36 O ATOM 106 CB SER A 7 3.002 0.462 -7.409 1.00 0.30 C ATOM 107 OG SER A 7 3.137 1.828 -7.024 1.00 0.34 O ATOM 0 H SER A 7 3.553 1.879 -10.046 1.00 0.32 H new ATOM 0 HA SER A 7 2.751 -0.752 -9.147 1.00 0.30 H new ATOM 0 HB2 SER A 7 2.180 0.009 -6.855 1.00 0.30 H new ATOM 0 HB3 SER A 7 3.907 -0.082 -7.139 1.00 0.30 H new ATOM 0 HG SER A 7 3.297 1.882 -6.059 1.00 0.34 H new ATOM 113 N THR A 8 0.340 0.207 -8.853 1.00 0.35 N ATOM 114 CA THR A 8 -1.016 0.649 -9.131 1.00 0.40 C ATOM 115 C THR A 8 -1.891 0.499 -7.886 1.00 0.44 C ATOM 116 O THR A 8 -2.906 -0.197 -7.917 1.00 0.49 O ATOM 117 CB THR A 8 -1.532 -0.138 -10.337 1.00 0.42 C ATOM 118 OG1 THR A 8 -0.459 -0.087 -11.271 1.00 0.54 O ATOM 119 CG2 THR A 8 -2.683 0.572 -11.051 1.00 0.79 C ATOM 0 H THR A 8 0.405 -0.659 -8.317 1.00 0.35 H new ATOM 0 HA THR A 8 -1.043 1.709 -9.382 1.00 0.40 H new ATOM 0 HB THR A 8 -1.861 -1.125 -10.012 1.00 0.42 H new ATOM 0 HG1 THR A 8 -0.709 -0.575 -12.083 1.00 0.54 H new ATOM 0 HG21 THR A 8 -3.011 -0.029 -11.899 1.00 0.79 H new ATOM 0 HG22 THR A 8 -3.514 0.706 -10.358 1.00 0.79 H new ATOM 0 HG23 THR A 8 -2.346 1.546 -11.406 1.00 0.79 H new ATOM 127 N PRO A 9 -1.456 1.179 -6.792 1.00 0.44 N ATOM 128 CA PRO A 9 -2.190 1.127 -5.538 1.00 0.49 C ATOM 129 C PRO A 9 -3.456 1.981 -5.609 1.00 0.56 C ATOM 130 O PRO A 9 -4.562 1.451 -5.696 1.00 0.64 O ATOM 131 CB PRO A 9 -1.204 1.610 -4.486 1.00 0.47 C ATOM 132 CG PRO A 9 -0.115 2.352 -5.244 1.00 0.43 C ATOM 133 CD PRO A 9 -0.260 2.012 -6.719 1.00 0.41 C ATOM 0 HA PRO A 9 -2.547 0.125 -5.300 1.00 0.49 H new ATOM 0 HB2 PRO A 9 -1.693 2.265 -3.764 1.00 0.47 H new ATOM 0 HB3 PRO A 9 -0.789 0.772 -3.926 1.00 0.47 H new ATOM 0 HG2 PRO A 9 -0.207 3.427 -5.089 1.00 0.43 H new ATOM 0 HG3 PRO A 9 0.870 2.060 -4.880 1.00 0.43 H new ATOM 0 HD2 PRO A 9 -0.367 2.912 -7.324 1.00 0.41 H new ATOM 0 HD3 PRO A 9 0.616 1.480 -7.091 1.00 0.41 H new ATOM 141 N ALA A 10 -3.252 3.290 -5.566 1.00 0.59 N ATOM 142 CA ALA A 10 -4.365 4.223 -5.624 1.00 0.67 C ATOM 143 C ALA A 10 -3.854 5.637 -5.341 1.00 0.71 C ATOM 144 O ALA A 10 -4.457 6.375 -4.564 1.00 0.69 O ATOM 145 CB ALA A 10 -5.449 3.786 -4.637 1.00 0.59 C ATOM 0 H ALA A 10 -2.333 3.726 -5.492 1.00 0.59 H new ATOM 0 HA ALA A 10 -4.812 4.227 -6.618 1.00 0.67 H new ATOM 0 HB1 ALA A 10 -6.284 4.486 -4.680 1.00 0.59 H new ATOM 0 HB2 ALA A 10 -5.798 2.787 -4.899 1.00 0.59 H new ATOM 0 HB3 ALA A 10 -5.038 3.773 -3.627 1.00 0.59 H new ATOM 151 N GLU A 11 -2.747 5.973 -5.986 1.00 0.84 N ATOM 152 CA GLU A 11 -2.148 7.284 -5.813 1.00 0.98 C ATOM 153 C GLU A 11 -3.203 8.378 -5.995 1.00 0.98 C ATOM 154 O GLU A 11 -3.676 8.610 -7.107 1.00 1.11 O ATOM 155 CB GLU A 11 -0.978 7.486 -6.779 1.00 1.28 C ATOM 156 CG GLU A 11 0.359 7.454 -6.035 1.00 1.41 C ATOM 157 CD GLU A 11 1.414 6.688 -6.836 1.00 1.81 C ATOM 158 OE1 GLU A 11 1.182 5.533 -7.222 1.00 2.64 O ATOM 159 OE2 GLU A 11 2.507 7.336 -7.057 1.00 2.35 O ATOM 0 H GLU A 11 -2.249 5.359 -6.630 1.00 0.84 H new ATOM 0 HA GLU A 11 -1.754 7.350 -4.799 1.00 0.98 H new ATOM 0 HB2 GLU A 11 -0.993 6.707 -7.542 1.00 1.28 H new ATOM 0 HB3 GLU A 11 -1.088 8.440 -7.295 1.00 1.28 H new ATOM 0 HG2 GLU A 11 0.703 8.472 -5.854 1.00 1.41 H new ATOM 0 HG3 GLU A 11 0.226 6.985 -5.060 1.00 1.41 H new ATOM 166 N GLY A 12 -3.540 9.020 -4.887 1.00 0.88 N ATOM 167 CA GLY A 12 -4.531 10.083 -4.911 1.00 0.89 C ATOM 168 C GLY A 12 -5.646 9.772 -5.911 1.00 1.02 C ATOM 169 O GLY A 12 -5.910 10.562 -6.817 1.00 1.33 O ATOM 0 H GLY A 12 -3.145 8.825 -3.967 1.00 0.88 H new ATOM 0 HA2 GLY A 12 -4.956 10.211 -3.915 1.00 0.89 H new ATOM 0 HA3 GLY A 12 -4.052 11.025 -5.177 1.00 0.89 H new ATOM 173 N SER A 13 -6.269 8.620 -5.714 1.00 0.98 N ATOM 174 CA SER A 13 -7.350 8.194 -6.589 1.00 1.14 C ATOM 175 C SER A 13 -8.638 8.022 -5.782 1.00 0.67 C ATOM 176 O SER A 13 -8.645 7.350 -4.752 1.00 0.81 O ATOM 177 CB SER A 13 -6.996 6.892 -7.308 1.00 1.62 C ATOM 178 OG SER A 13 -6.816 7.087 -8.708 1.00 2.35 O ATOM 0 H SER A 13 -6.047 7.968 -4.962 1.00 0.98 H new ATOM 0 HA SER A 13 -7.502 8.964 -7.345 1.00 1.14 H new ATOM 0 HB2 SER A 13 -6.083 6.478 -6.879 1.00 1.62 H new ATOM 0 HB3 SER A 13 -7.787 6.160 -7.143 1.00 1.62 H new ATOM 0 HG SER A 13 -6.589 6.232 -9.131 1.00 2.35 H new ATOM 184 N GLU A 14 -9.698 8.642 -6.280 1.00 0.46 N ATOM 185 CA GLU A 14 -10.990 8.565 -5.619 1.00 0.73 C ATOM 186 C GLU A 14 -11.893 7.555 -6.331 1.00 1.22 C ATOM 187 O GLU A 14 -11.941 7.519 -7.560 1.00 1.53 O ATOM 188 CB GLU A 14 -11.654 9.942 -5.552 1.00 1.22 C ATOM 189 CG GLU A 14 -10.639 11.022 -5.178 1.00 1.33 C ATOM 190 CD GLU A 14 -11.163 12.415 -5.536 1.00 2.10 C ATOM 191 OE1 GLU A 14 -12.392 12.635 -5.211 1.00 4.21 O ATOM 192 OE2 GLU A 14 -10.418 13.232 -6.098 1.00 1.41 O ATOM 0 H GLU A 14 -9.688 9.200 -7.134 1.00 0.46 H new ATOM 0 HA GLU A 14 -10.832 8.223 -4.596 1.00 0.73 H new ATOM 0 HB2 GLU A 14 -12.105 10.180 -6.516 1.00 1.22 H new ATOM 0 HB3 GLU A 14 -12.460 9.926 -4.818 1.00 1.22 H new ATOM 0 HG2 GLU A 14 -10.427 10.973 -4.110 1.00 1.33 H new ATOM 0 HG3 GLU A 14 -9.699 10.838 -5.698 1.00 1.33 H new ATOM 199 N GLY A 15 -12.583 6.758 -5.530 1.00 1.38 N ATOM 200 CA GLY A 15 -13.482 5.751 -6.069 1.00 1.97 C ATOM 201 C GLY A 15 -14.559 5.376 -5.049 1.00 1.21 C ATOM 202 O GLY A 15 -15.362 6.219 -4.652 1.00 1.00 O ATOM 0 H GLY A 15 -12.538 6.788 -4.511 1.00 1.38 H new ATOM 0 HA2 GLY A 15 -13.952 6.127 -6.978 1.00 1.97 H new ATOM 0 HA3 GLY A 15 -12.914 4.863 -6.347 1.00 1.97 H new ATOM 206 N ALA A 16 -14.542 4.110 -4.656 1.00 1.63 N ATOM 207 CA ALA A 16 -15.508 3.614 -3.692 1.00 1.74 C ATOM 208 C ALA A 16 -15.275 2.118 -3.466 1.00 2.67 C ATOM 209 O ALA A 16 -15.929 1.284 -4.089 1.00 4.52 O ATOM 210 CB ALA A 16 -16.924 3.915 -4.186 1.00 2.29 C ATOM 0 H ALA A 16 -13.874 3.414 -4.988 1.00 1.63 H new ATOM 0 HA ALA A 16 -15.384 4.116 -2.732 1.00 1.74 H new ATOM 0 HB1 ALA A 16 -17.649 3.542 -3.462 1.00 2.29 H new ATOM 0 HB2 ALA A 16 -17.048 4.992 -4.302 1.00 2.29 H new ATOM 0 HB3 ALA A 16 -17.086 3.426 -5.146 1.00 2.29 H new ATOM 216 N ALA A 17 -14.341 1.826 -2.572 1.00 1.65 N ATOM 217 CA ALA A 17 -14.013 0.446 -2.257 1.00 2.33 C ATOM 218 C ALA A 17 -13.401 -0.223 -3.490 1.00 1.94 C ATOM 219 O ALA A 17 -14.119 -0.786 -4.315 1.00 1.73 O ATOM 220 CB ALA A 17 -15.269 -0.276 -1.764 1.00 2.92 C ATOM 0 H ALA A 17 -13.802 2.521 -2.056 1.00 1.65 H new ATOM 0 HA ALA A 17 -13.274 0.399 -1.457 1.00 2.33 H new ATOM 0 HB1 ALA A 17 -15.024 -1.311 -1.527 1.00 2.92 H new ATOM 0 HB2 ALA A 17 -15.647 0.221 -0.871 1.00 2.92 H new ATOM 0 HB3 ALA A 17 -16.032 -0.252 -2.543 1.00 2.92 H new ATOM 226 N PRO A 18 -12.047 -0.137 -3.577 1.00 1.92 N ATOM 227 CA PRO A 18 -11.330 -0.728 -4.695 1.00 1.64 C ATOM 228 C PRO A 18 -11.261 -2.250 -4.559 1.00 1.36 C ATOM 229 O PRO A 18 -11.893 -2.828 -3.676 1.00 1.94 O ATOM 230 CB PRO A 18 -9.962 -0.066 -4.678 1.00 1.86 C ATOM 231 CG PRO A 18 -9.800 0.521 -3.285 1.00 2.17 C ATOM 232 CD PRO A 18 -11.165 0.521 -2.618 1.00 2.22 C ATOM 0 HA PRO A 18 -11.827 -0.560 -5.650 1.00 1.64 H new ATOM 0 HB2 PRO A 18 -9.175 -0.790 -4.891 1.00 1.86 H new ATOM 0 HB3 PRO A 18 -9.895 0.711 -5.439 1.00 1.86 H new ATOM 0 HG2 PRO A 18 -9.091 -0.067 -2.703 1.00 2.17 H new ATOM 0 HG3 PRO A 18 -9.403 1.534 -3.342 1.00 2.17 H new ATOM 0 HD2 PRO A 18 -11.142 -0.015 -1.669 1.00 2.22 H new ATOM 0 HD3 PRO A 18 -11.501 1.536 -2.403 1.00 2.22 H new ATOM 240 N ALA A 19 -10.486 -2.857 -5.446 1.00 0.83 N ATOM 241 CA ALA A 19 -10.324 -4.300 -5.436 1.00 0.63 C ATOM 242 C ALA A 19 -9.059 -4.662 -4.657 1.00 0.56 C ATOM 243 O ALA A 19 -9.136 -5.198 -3.553 1.00 0.58 O ATOM 244 CB ALA A 19 -10.294 -4.821 -6.874 1.00 0.73 C ATOM 0 H ALA A 19 -9.963 -2.375 -6.177 1.00 0.83 H new ATOM 0 HA ALA A 19 -11.166 -4.777 -4.935 1.00 0.63 H new ATOM 0 HB1 ALA A 19 -10.172 -5.904 -6.866 1.00 0.73 H new ATOM 0 HB2 ALA A 19 -11.228 -4.564 -7.374 1.00 0.73 H new ATOM 0 HB3 ALA A 19 -9.460 -4.366 -7.408 1.00 0.73 H new ATOM 250 N LYS A 20 -7.922 -4.356 -5.265 1.00 0.50 N ATOM 251 CA LYS A 20 -6.640 -4.642 -4.642 1.00 0.47 C ATOM 252 C LYS A 20 -5.580 -3.693 -5.206 1.00 0.41 C ATOM 253 O LYS A 20 -5.696 -3.231 -6.339 1.00 0.45 O ATOM 254 CB LYS A 20 -6.287 -6.122 -4.800 1.00 0.55 C ATOM 255 CG LYS A 20 -6.155 -6.500 -6.278 1.00 0.60 C ATOM 256 CD LYS A 20 -7.235 -7.506 -6.684 1.00 1.51 C ATOM 257 CE LYS A 20 -7.057 -7.942 -8.139 1.00 1.62 C ATOM 258 NZ LYS A 20 -8.374 -8.133 -8.787 1.00 2.71 N ATOM 0 H LYS A 20 -7.862 -3.913 -6.182 1.00 0.50 H new ATOM 0 HA LYS A 20 -6.690 -4.462 -3.568 1.00 0.47 H new ATOM 0 HB2 LYS A 20 -5.352 -6.334 -4.282 1.00 0.55 H new ATOM 0 HB3 LYS A 20 -7.057 -6.735 -4.331 1.00 0.55 H new ATOM 0 HG2 LYS A 20 -6.236 -5.605 -6.895 1.00 0.60 H new ATOM 0 HG3 LYS A 20 -5.169 -6.926 -6.462 1.00 0.60 H new ATOM 0 HD2 LYS A 20 -7.189 -8.378 -6.031 1.00 1.51 H new ATOM 0 HD3 LYS A 20 -8.221 -7.060 -6.552 1.00 1.51 H new ATOM 0 HE2 LYS A 20 -6.483 -7.191 -8.682 1.00 1.62 H new ATOM 0 HE3 LYS A 20 -6.487 -8.870 -8.180 1.00 1.62 H new ATOM 0 HZ1 LYS A 20 -8.235 -8.429 -9.774 1.00 2.71 H new ATOM 0 HZ2 LYS A 20 -8.908 -8.866 -8.278 1.00 2.71 H new ATOM 0 HZ3 LYS A 20 -8.905 -7.239 -8.765 1.00 2.71 H new ATOM 272 N ILE A 21 -4.572 -3.431 -4.387 1.00 0.42 N ATOM 273 CA ILE A 21 -3.493 -2.545 -4.790 1.00 0.42 C ATOM 274 C ILE A 21 -2.448 -3.344 -5.572 1.00 0.41 C ATOM 275 O ILE A 21 -2.204 -4.513 -5.275 1.00 0.41 O ATOM 276 CB ILE A 21 -2.922 -1.810 -3.576 1.00 0.47 C ATOM 277 CG1 ILE A 21 -3.647 -0.482 -3.348 1.00 0.52 C ATOM 278 CG2 ILE A 21 -1.409 -1.622 -3.711 1.00 0.47 C ATOM 279 CD1 ILE A 21 -4.420 -0.499 -2.029 1.00 0.62 C ATOM 0 H ILE A 21 -4.480 -3.816 -3.447 1.00 0.42 H new ATOM 0 HA ILE A 21 -3.867 -1.769 -5.457 1.00 0.42 H new ATOM 0 HB ILE A 21 -3.092 -2.425 -2.693 1.00 0.47 H new ATOM 0 HG12 ILE A 21 -2.924 0.334 -3.340 1.00 0.52 H new ATOM 0 HG13 ILE A 21 -4.333 -0.292 -4.173 1.00 0.52 H new ATOM 0 HG21 ILE A 21 -1.028 -1.097 -2.835 1.00 0.47 H new ATOM 0 HG22 ILE A 21 -0.927 -2.596 -3.788 1.00 0.47 H new ATOM 0 HG23 ILE A 21 -1.193 -1.038 -4.606 1.00 0.47 H new ATOM 0 HD11 ILE A 21 -4.926 0.457 -1.891 1.00 0.62 H new ATOM 0 HD12 ILE A 21 -5.158 -1.301 -2.050 1.00 0.62 H new ATOM 0 HD13 ILE A 21 -3.728 -0.665 -1.204 1.00 0.62 H new ATOM 291 N GLU A 22 -1.859 -2.682 -6.558 1.00 0.42 N ATOM 292 CA GLU A 22 -0.847 -3.316 -7.385 1.00 0.43 C ATOM 293 C GLU A 22 0.521 -2.681 -7.128 1.00 0.38 C ATOM 294 O GLU A 22 0.611 -1.492 -6.828 1.00 0.36 O ATOM 295 CB GLU A 22 -1.220 -3.236 -8.866 1.00 0.46 C ATOM 296 CG GLU A 22 -1.147 -4.614 -9.526 1.00 0.52 C ATOM 297 CD GLU A 22 0.195 -4.812 -10.235 1.00 1.42 C ATOM 298 OE1 GLU A 22 1.253 -4.737 -9.593 1.00 2.93 O ATOM 299 OE2 GLU A 22 0.111 -5.054 -11.500 1.00 1.80 O ATOM 0 H GLU A 22 -2.064 -1.713 -6.802 1.00 0.42 H new ATOM 0 HA GLU A 22 -0.793 -4.371 -7.115 1.00 0.43 H new ATOM 0 HB2 GLU A 22 -2.227 -2.832 -8.970 1.00 0.46 H new ATOM 0 HB3 GLU A 22 -0.547 -2.548 -9.377 1.00 0.46 H new ATOM 0 HG2 GLU A 22 -1.282 -5.390 -8.772 1.00 0.52 H new ATOM 0 HG3 GLU A 22 -1.961 -4.721 -10.243 1.00 0.52 H new ATOM 306 N LEU A 23 1.554 -3.503 -7.257 1.00 0.39 N ATOM 307 CA LEU A 23 2.913 -3.036 -7.043 1.00 0.37 C ATOM 308 C LEU A 23 3.866 -3.828 -7.941 1.00 0.37 C ATOM 309 O LEU A 23 3.636 -5.006 -8.211 1.00 0.42 O ATOM 310 CB LEU A 23 3.273 -3.098 -5.557 1.00 0.40 C ATOM 311 CG LEU A 23 2.343 -2.340 -4.609 1.00 0.42 C ATOM 312 CD1 LEU A 23 2.385 -2.940 -3.202 1.00 0.48 C ATOM 313 CD2 LEU A 23 2.667 -0.845 -4.604 1.00 0.39 C ATOM 0 H LEU A 23 1.476 -4.489 -7.507 1.00 0.39 H new ATOM 0 HA LEU A 23 3.005 -1.987 -7.326 1.00 0.37 H new ATOM 0 HB2 LEU A 23 3.295 -4.144 -5.252 1.00 0.40 H new ATOM 0 HB3 LEU A 23 4.283 -2.708 -5.432 1.00 0.40 H new ATOM 0 HG LEU A 23 1.322 -2.448 -4.974 1.00 0.42 H new ATOM 0 HD11 LEU A 23 1.715 -2.382 -2.548 1.00 0.48 H new ATOM 0 HD12 LEU A 23 2.069 -3.982 -3.241 1.00 0.48 H new ATOM 0 HD13 LEU A 23 3.402 -2.884 -2.813 1.00 0.48 H new ATOM 0 HD21 LEU A 23 1.992 -0.329 -3.922 1.00 0.39 H new ATOM 0 HD22 LEU A 23 3.696 -0.697 -4.277 1.00 0.39 H new ATOM 0 HD23 LEU A 23 2.545 -0.443 -5.610 1.00 0.39 H new ATOM 325 N HIS A 24 4.916 -3.149 -8.378 1.00 0.36 N ATOM 326 CA HIS A 24 5.905 -3.774 -9.240 1.00 0.40 C ATOM 327 C HIS A 24 7.308 -3.342 -8.809 1.00 0.43 C ATOM 328 O HIS A 24 7.484 -2.260 -8.251 1.00 0.42 O ATOM 329 CB HIS A 24 5.616 -3.467 -10.710 1.00 0.40 C ATOM 330 CG HIS A 24 4.545 -4.340 -11.320 1.00 0.43 C ATOM 331 ND1 HIS A 24 4.826 -5.537 -11.957 1.00 0.51 N ATOM 332 CD2 HIS A 24 3.192 -4.179 -11.384 1.00 0.48 C ATOM 333 CE1 HIS A 24 3.686 -6.062 -12.381 1.00 0.53 C ATOM 334 NE2 HIS A 24 2.675 -5.219 -12.026 1.00 0.50 N ATOM 0 H HIS A 24 5.104 -2.172 -8.151 1.00 0.36 H new ATOM 0 HA HIS A 24 5.849 -4.858 -9.138 1.00 0.40 H new ATOM 0 HB2 HIS A 24 5.315 -2.423 -10.800 1.00 0.40 H new ATOM 0 HB3 HIS A 24 6.536 -3.584 -11.283 1.00 0.40 H new ATOM 0 HD2 HIS A 24 2.636 -3.346 -10.980 1.00 0.48 H new ATOM 0 HE1 HIS A 24 3.577 -6.995 -12.915 1.00 0.53 H new ATOM 0 HE2 HIS A 24 1.684 -5.364 -12.222 1.00 0.50 H new ATOM 342 N PHE A 25 8.271 -4.209 -9.083 1.00 0.54 N ATOM 343 CA PHE A 25 9.652 -3.931 -8.731 1.00 0.60 C ATOM 344 C PHE A 25 10.615 -4.614 -9.704 1.00 0.68 C ATOM 345 O PHE A 25 10.934 -5.792 -9.543 1.00 0.98 O ATOM 346 CB PHE A 25 9.879 -4.496 -7.328 1.00 0.67 C ATOM 347 CG PHE A 25 9.218 -3.680 -6.214 1.00 0.73 C ATOM 348 CD1 PHE A 25 9.871 -2.619 -5.669 1.00 1.62 C ATOM 349 CD2 PHE A 25 7.977 -4.016 -5.771 1.00 2.11 C ATOM 350 CE1 PHE A 25 9.258 -1.862 -4.636 1.00 1.74 C ATOM 351 CE2 PHE A 25 7.364 -3.259 -4.738 1.00 2.22 C ATOM 352 CZ PHE A 25 8.017 -2.198 -4.192 1.00 1.17 C ATOM 0 H PHE A 25 8.122 -5.106 -9.545 1.00 0.54 H new ATOM 0 HA PHE A 25 9.837 -2.858 -8.772 1.00 0.60 H new ATOM 0 HB2 PHE A 25 9.498 -5.516 -7.292 1.00 0.67 H new ATOM 0 HB3 PHE A 25 10.951 -4.550 -7.138 1.00 0.67 H new ATOM 0 HD1 PHE A 25 10.856 -2.352 -6.022 1.00 1.62 H new ATOM 0 HD2 PHE A 25 7.458 -4.858 -6.205 1.00 2.11 H new ATOM 0 HE1 PHE A 25 9.777 -1.020 -4.203 1.00 1.74 H new ATOM 0 HE2 PHE A 25 6.379 -3.526 -4.386 1.00 2.22 H new ATOM 0 HZ PHE A 25 7.550 -1.623 -3.406 1.00 1.17 H new ATOM 362 N SER A 26 11.050 -3.847 -10.693 1.00 0.70 N ATOM 363 CA SER A 26 11.970 -4.364 -11.692 1.00 0.80 C ATOM 364 C SER A 26 13.348 -4.594 -11.066 1.00 0.76 C ATOM 365 O SER A 26 14.240 -5.146 -11.707 1.00 0.87 O ATOM 366 CB SER A 26 12.081 -3.412 -12.884 1.00 1.15 C ATOM 367 OG SER A 26 11.165 -3.748 -13.923 1.00 2.05 O ATOM 0 H SER A 26 10.782 -2.871 -10.824 1.00 0.70 H new ATOM 0 HA SER A 26 11.580 -5.315 -12.056 1.00 0.80 H new ATOM 0 HB2 SER A 26 11.893 -2.391 -12.551 1.00 1.15 H new ATOM 0 HB3 SER A 26 13.098 -3.438 -13.275 1.00 1.15 H new ATOM 0 HG SER A 26 11.266 -3.116 -14.665 1.00 2.05 H new ATOM 499 N GLY A 35 7.311 -5.040 2.206 1.00 0.98 N ATOM 500 CA GLY A 35 5.935 -5.252 2.623 1.00 0.93 C ATOM 501 C GLY A 35 5.139 -3.946 2.568 1.00 0.81 C ATOM 502 O GLY A 35 5.646 -2.925 2.105 1.00 0.97 O ATOM 0 HA2 GLY A 35 5.466 -5.995 1.978 1.00 0.93 H new ATOM 0 HA3 GLY A 35 5.916 -5.652 3.637 1.00 0.93 H new ATOM 506 N ALA A 36 3.906 -4.022 3.047 1.00 0.63 N ATOM 507 CA ALA A 36 3.035 -2.859 3.057 1.00 0.57 C ATOM 508 C ALA A 36 2.008 -3.007 4.182 1.00 0.59 C ATOM 509 O ALA A 36 1.814 -4.101 4.709 1.00 0.68 O ATOM 510 CB ALA A 36 2.379 -2.700 1.685 1.00 0.63 C ATOM 0 H ALA A 36 3.490 -4.870 3.431 1.00 0.63 H new ATOM 0 HA ALA A 36 3.608 -1.952 3.250 1.00 0.57 H new ATOM 0 HB1 ALA A 36 1.726 -1.828 1.693 1.00 0.63 H new ATOM 0 HB2 ALA A 36 3.150 -2.569 0.926 1.00 0.63 H new ATOM 0 HB3 ALA A 36 1.793 -3.590 1.457 1.00 0.63 H new ATOM 516 N LYS A 37 1.376 -1.891 4.514 1.00 0.56 N ATOM 517 CA LYS A 37 0.374 -1.883 5.566 1.00 0.63 C ATOM 518 C LYS A 37 -0.618 -0.747 5.311 1.00 0.60 C ATOM 519 O LYS A 37 -0.223 0.412 5.189 1.00 0.61 O ATOM 520 CB LYS A 37 1.042 -1.819 6.942 1.00 0.75 C ATOM 521 CG LYS A 37 1.084 -3.201 7.596 1.00 0.86 C ATOM 522 CD LYS A 37 -0.046 -3.361 8.614 1.00 1.66 C ATOM 523 CE LYS A 37 0.503 -3.412 10.040 1.00 1.86 C ATOM 524 NZ LYS A 37 0.231 -4.731 10.654 1.00 2.63 N ATOM 0 H LYS A 37 1.538 -0.986 4.073 1.00 0.56 H new ATOM 0 HA LYS A 37 -0.196 -2.812 5.556 1.00 0.63 H new ATOM 0 HB2 LYS A 37 2.055 -1.430 6.841 1.00 0.75 H new ATOM 0 HB3 LYS A 37 0.497 -1.126 7.583 1.00 0.75 H new ATOM 0 HG2 LYS A 37 1.000 -3.972 6.830 1.00 0.86 H new ATOM 0 HG3 LYS A 37 2.045 -3.345 8.089 1.00 0.86 H new ATOM 0 HD2 LYS A 37 -0.745 -2.530 8.519 1.00 1.66 H new ATOM 0 HD3 LYS A 37 -0.604 -4.273 8.403 1.00 1.66 H new ATOM 0 HE2 LYS A 37 1.577 -3.224 10.029 1.00 1.86 H new ATOM 0 HE3 LYS A 37 0.047 -2.624 10.640 1.00 1.86 H new ATOM 0 HZ1 LYS A 37 0.611 -4.748 11.622 1.00 2.63 H new ATOM 0 HZ2 LYS A 37 -0.795 -4.896 10.682 1.00 2.63 H new ATOM 0 HZ3 LYS A 37 0.687 -5.477 10.090 1.00 2.63 H new ATOM 538 N LEU A 38 -1.888 -1.118 5.235 1.00 0.61 N ATOM 539 CA LEU A 38 -2.940 -0.145 4.995 1.00 0.61 C ATOM 540 C LEU A 38 -3.396 0.445 6.331 1.00 0.70 C ATOM 541 O LEU A 38 -3.504 -0.272 7.326 1.00 0.86 O ATOM 542 CB LEU A 38 -4.073 -0.771 4.179 1.00 0.63 C ATOM 543 CG LEU A 38 -5.385 0.014 4.143 1.00 0.73 C ATOM 544 CD1 LEU A 38 -5.134 1.486 3.810 1.00 0.77 C ATOM 545 CD2 LEU A 38 -6.383 -0.630 3.179 1.00 0.83 C ATOM 0 H LEU A 38 -2.212 -2.080 5.336 1.00 0.61 H new ATOM 0 HA LEU A 38 -2.565 0.682 4.392 1.00 0.61 H new ATOM 0 HB2 LEU A 38 -3.725 -0.906 3.155 1.00 0.63 H new ATOM 0 HB3 LEU A 38 -4.277 -1.764 4.580 1.00 0.63 H new ATOM 0 HG LEU A 38 -5.831 -0.020 5.137 1.00 0.73 H new ATOM 0 HD11 LEU A 38 -6.083 2.022 3.791 1.00 0.77 H new ATOM 0 HD12 LEU A 38 -4.485 1.925 4.568 1.00 0.77 H new ATOM 0 HD13 LEU A 38 -4.655 1.562 2.834 1.00 0.77 H new ATOM 0 HD21 LEU A 38 -7.307 -0.052 3.172 1.00 0.83 H new ATOM 0 HD22 LEU A 38 -5.959 -0.648 2.175 1.00 0.83 H new ATOM 0 HD23 LEU A 38 -6.595 -1.649 3.502 1.00 0.83 H new ATOM 557 N VAL A 39 -3.652 1.743 6.311 1.00 0.65 N ATOM 558 CA VAL A 39 -4.095 2.438 7.509 1.00 0.75 C ATOM 559 C VAL A 39 -5.193 3.437 7.138 1.00 0.77 C ATOM 560 O VAL A 39 -5.045 4.201 6.186 1.00 0.79 O ATOM 561 CB VAL A 39 -2.902 3.094 8.206 1.00 0.84 C ATOM 562 CG1 VAL A 39 -1.743 2.105 8.356 1.00 0.85 C ATOM 563 CG2 VAL A 39 -2.454 4.352 7.460 1.00 0.83 C ATOM 0 H VAL A 39 -3.562 2.334 5.484 1.00 0.65 H new ATOM 0 HA VAL A 39 -4.523 1.733 8.222 1.00 0.75 H new ATOM 0 HB VAL A 39 -3.221 3.392 9.205 1.00 0.84 H new ATOM 0 HG11 VAL A 39 -0.908 2.596 8.854 1.00 0.85 H new ATOM 0 HG12 VAL A 39 -2.068 1.251 8.950 1.00 0.85 H new ATOM 0 HG13 VAL A 39 -1.427 1.763 7.371 1.00 0.85 H new ATOM 0 HG21 VAL A 39 -1.605 4.798 7.977 1.00 0.83 H new ATOM 0 HG22 VAL A 39 -2.162 4.088 6.444 1.00 0.83 H new ATOM 0 HG23 VAL A 39 -3.276 5.068 7.427 1.00 0.83 H new ATOM 573 N MET A 40 -6.270 3.398 7.909 1.00 0.80 N ATOM 574 CA MET A 40 -7.392 4.290 7.673 1.00 0.84 C ATOM 575 C MET A 40 -7.167 5.645 8.349 1.00 0.94 C ATOM 576 O MET A 40 -7.474 5.812 9.528 1.00 1.03 O ATOM 577 CB MET A 40 -8.673 3.654 8.217 1.00 0.94 C ATOM 578 CG MET A 40 -9.840 4.643 8.165 1.00 1.07 C ATOM 579 SD MET A 40 -10.557 4.827 9.789 1.00 1.58 S ATOM 580 CE MET A 40 -10.632 6.607 9.895 1.00 3.32 C ATOM 0 H MET A 40 -6.389 2.762 8.698 1.00 0.80 H new ATOM 0 HA MET A 40 -7.484 4.452 6.599 1.00 0.84 H new ATOM 0 HB2 MET A 40 -8.918 2.766 7.635 1.00 0.94 H new ATOM 0 HB3 MET A 40 -8.513 3.328 9.245 1.00 0.94 H new ATOM 0 HG2 MET A 40 -9.492 5.610 7.800 1.00 1.07 H new ATOM 0 HG3 MET A 40 -10.595 4.290 7.463 1.00 1.07 H new ATOM 0 HE1 MET A 40 -11.369 6.896 10.645 1.00 3.32 H new ATOM 0 HE2 MET A 40 -9.654 6.996 10.178 1.00 3.32 H new ATOM 0 HE3 MET A 40 -10.919 7.017 8.927 1.00 3.32 H new ATOM 590 N THR A 41 -6.633 6.576 7.572 1.00 0.94 N ATOM 591 CA THR A 41 -6.363 7.910 8.081 1.00 1.06 C ATOM 592 C THR A 41 -7.152 8.952 7.288 1.00 1.21 C ATOM 593 O THR A 41 -6.569 9.852 6.685 1.00 1.42 O ATOM 594 CB THR A 41 -4.851 8.134 8.041 1.00 1.23 C ATOM 595 OG1 THR A 41 -4.678 9.437 8.591 1.00 1.37 O ATOM 596 CG2 THR A 41 -4.313 8.257 6.614 1.00 1.40 C ATOM 0 H THR A 41 -6.380 6.433 6.594 1.00 0.94 H new ATOM 0 HA THR A 41 -6.694 8.014 9.114 1.00 1.06 H new ATOM 0 HB THR A 41 -4.349 7.309 8.547 1.00 1.23 H new ATOM 0 HG1 THR A 41 -5.159 10.090 8.042 1.00 1.37 H new ATOM 0 HG21 THR A 41 -3.235 8.415 6.644 1.00 1.40 H new ATOM 0 HG22 THR A 41 -4.531 7.342 6.063 1.00 1.40 H new ATOM 0 HG23 THR A 41 -4.790 9.102 6.117 1.00 1.40 H new ATOM 604 N ALA A 42 -8.468 8.797 7.313 1.00 1.16 N ATOM 605 CA ALA A 42 -9.344 9.714 6.604 1.00 1.36 C ATOM 606 C ALA A 42 -8.875 11.150 6.844 1.00 1.80 C ATOM 607 O ALA A 42 -8.090 11.406 7.756 1.00 2.65 O ATOM 608 CB ALA A 42 -10.790 9.490 7.052 1.00 1.43 C ATOM 0 H ALA A 42 -8.949 8.050 7.814 1.00 1.16 H new ATOM 0 HA ALA A 42 -9.304 9.529 5.531 1.00 1.36 H new ATOM 0 HB1 ALA A 42 -11.447 10.178 6.520 1.00 1.43 H new ATOM 0 HB2 ALA A 42 -11.084 8.464 6.832 1.00 1.43 H new ATOM 0 HB3 ALA A 42 -10.870 9.668 8.124 1.00 1.43 H new ATOM 726 N MET A 51 -5.024 4.511 11.625 1.00 1.29 N ATOM 727 CA MET A 51 -5.369 3.252 12.264 1.00 1.31 C ATOM 728 C MET A 51 -5.184 2.079 11.298 1.00 1.13 C ATOM 729 O MET A 51 -5.975 1.901 10.373 1.00 1.13 O ATOM 730 CB MET A 51 -6.823 3.300 12.735 1.00 1.43 C ATOM 731 CG MET A 51 -7.000 4.317 13.864 1.00 1.72 C ATOM 732 SD MET A 51 -8.627 5.048 13.779 1.00 2.29 S ATOM 733 CE MET A 51 -9.521 3.940 14.857 1.00 2.12 C ATOM 0 HA MET A 51 -4.706 3.105 13.117 1.00 1.31 H new ATOM 0 HB2 MET A 51 -7.471 3.563 11.899 1.00 1.43 H new ATOM 0 HB3 MET A 51 -7.130 2.312 13.079 1.00 1.43 H new ATOM 0 HG2 MET A 51 -6.862 3.829 14.829 1.00 1.72 H new ATOM 0 HG3 MET A 51 -6.239 5.094 13.787 1.00 1.72 H new ATOM 0 HE1 MET A 51 -10.563 4.254 14.918 1.00 2.12 H new ATOM 0 HE2 MET A 51 -9.470 2.926 14.460 1.00 2.12 H new ATOM 0 HE3 MET A 51 -9.077 3.963 15.852 1.00 2.12 H new ATOM 743 N ALA A 52 -4.135 1.310 11.547 1.00 1.25 N ATOM 744 CA ALA A 52 -3.835 0.159 10.711 1.00 1.10 C ATOM 745 C ALA A 52 -5.111 -0.658 10.500 1.00 1.02 C ATOM 746 O ALA A 52 -5.923 -0.795 11.414 1.00 1.14 O ATOM 747 CB ALA A 52 -2.716 -0.662 11.355 1.00 1.16 C ATOM 0 H ALA A 52 -3.482 1.461 12.316 1.00 1.25 H new ATOM 0 HA ALA A 52 -3.482 0.478 9.730 1.00 1.10 H new ATOM 0 HB1 ALA A 52 -2.491 -1.525 10.728 1.00 1.16 H new ATOM 0 HB2 ALA A 52 -1.824 -0.044 11.456 1.00 1.16 H new ATOM 0 HB3 ALA A 52 -3.035 -1.002 12.340 1.00 1.16 H new ATOM 753 N VAL A 53 -5.248 -1.179 9.290 1.00 0.86 N ATOM 754 CA VAL A 53 -6.412 -1.979 8.947 1.00 0.85 C ATOM 755 C VAL A 53 -5.999 -3.447 8.828 1.00 0.81 C ATOM 756 O VAL A 53 -4.811 -3.760 8.784 1.00 1.02 O ATOM 757 CB VAL A 53 -7.064 -1.436 7.673 1.00 0.83 C ATOM 758 CG1 VAL A 53 -6.365 -1.981 6.425 1.00 0.74 C ATOM 759 CG2 VAL A 53 -8.560 -1.752 7.645 1.00 0.97 C ATOM 0 H VAL A 53 -4.572 -1.063 8.535 1.00 0.86 H new ATOM 0 HA VAL A 53 -7.164 -1.915 9.733 1.00 0.85 H new ATOM 0 HB VAL A 53 -6.951 -0.352 7.675 1.00 0.83 H new ATOM 0 HG11 VAL A 53 -6.847 -1.580 5.534 1.00 0.74 H new ATOM 0 HG12 VAL A 53 -5.317 -1.683 6.436 1.00 0.74 H new ATOM 0 HG13 VAL A 53 -6.433 -3.069 6.416 1.00 0.74 H new ATOM 0 HG21 VAL A 53 -8.999 -1.355 6.729 1.00 0.97 H new ATOM 0 HG22 VAL A 53 -8.704 -2.832 7.678 1.00 0.97 H new ATOM 0 HG23 VAL A 53 -9.045 -1.295 8.507 1.00 0.97 H new ATOM 769 N LYS A 54 -7.004 -4.309 8.778 1.00 0.67 N ATOM 770 CA LYS A 54 -6.760 -5.736 8.665 1.00 0.69 C ATOM 771 C LYS A 54 -6.607 -6.109 7.189 1.00 0.65 C ATOM 772 O LYS A 54 -7.557 -6.575 6.562 1.00 0.85 O ATOM 773 CB LYS A 54 -7.854 -6.526 9.389 1.00 0.78 C ATOM 774 CG LYS A 54 -7.439 -6.849 10.825 1.00 2.08 C ATOM 775 CD LYS A 54 -8.640 -7.313 11.652 1.00 2.18 C ATOM 776 CE LYS A 54 -8.185 -8.009 12.936 1.00 3.40 C ATOM 777 NZ LYS A 54 -9.016 -7.575 14.082 1.00 3.95 N ATOM 0 H LYS A 54 -7.989 -4.046 8.814 1.00 0.67 H new ATOM 0 HA LYS A 54 -5.826 -6.002 9.159 1.00 0.69 H new ATOM 0 HB2 LYS A 54 -8.779 -5.950 9.395 1.00 0.78 H new ATOM 0 HB3 LYS A 54 -8.057 -7.451 8.849 1.00 0.78 H new ATOM 0 HG2 LYS A 54 -6.674 -7.626 10.820 1.00 2.08 H new ATOM 0 HG3 LYS A 54 -6.995 -5.967 11.286 1.00 2.08 H new ATOM 0 HD2 LYS A 54 -9.267 -6.457 11.901 1.00 2.18 H new ATOM 0 HD3 LYS A 54 -9.251 -7.995 11.061 1.00 2.18 H new ATOM 0 HE2 LYS A 54 -8.256 -9.090 12.816 1.00 3.40 H new ATOM 0 HE3 LYS A 54 -7.138 -7.778 13.130 1.00 3.40 H new ATOM 0 HZ1 LYS A 54 -8.694 -8.056 14.946 1.00 3.95 H new ATOM 0 HZ2 LYS A 54 -8.927 -6.546 14.205 1.00 3.95 H new ATOM 0 HZ3 LYS A 54 -10.011 -7.817 13.901 1.00 3.95 H new ATOM 791 N ALA A 55 -5.405 -5.889 6.679 1.00 0.67 N ATOM 792 CA ALA A 55 -5.115 -6.194 5.288 1.00 0.64 C ATOM 793 C ALA A 55 -3.950 -7.185 5.220 1.00 0.64 C ATOM 794 O ALA A 55 -3.356 -7.521 6.244 1.00 0.67 O ATOM 795 CB ALA A 55 -4.822 -4.898 4.530 1.00 0.66 C ATOM 0 H ALA A 55 -4.620 -5.503 7.204 1.00 0.67 H new ATOM 0 HA ALA A 55 -5.976 -6.663 4.811 1.00 0.64 H new ATOM 0 HB1 ALA A 55 -4.605 -5.128 3.487 1.00 0.66 H new ATOM 0 HB2 ALA A 55 -5.690 -4.241 4.584 1.00 0.66 H new ATOM 0 HB3 ALA A 55 -3.962 -4.400 4.979 1.00 0.66 H new ATOM 801 N ALA A 56 -3.661 -7.625 4.005 1.00 0.64 N ATOM 802 CA ALA A 56 -2.578 -8.571 3.790 1.00 0.67 C ATOM 803 C ALA A 56 -1.950 -8.317 2.418 1.00 0.54 C ATOM 804 O ALA A 56 -2.651 -7.991 1.462 1.00 0.49 O ATOM 805 CB ALA A 56 -3.111 -9.998 3.933 1.00 0.80 C ATOM 0 H ALA A 56 -4.157 -7.345 3.159 1.00 0.64 H new ATOM 0 HA ALA A 56 -1.797 -8.438 4.539 1.00 0.67 H new ATOM 0 HB1 ALA A 56 -2.299 -10.707 3.772 1.00 0.80 H new ATOM 0 HB2 ALA A 56 -3.519 -10.135 4.934 1.00 0.80 H new ATOM 0 HB3 ALA A 56 -3.895 -10.169 3.195 1.00 0.80 H new ATOM 811 N VAL A 57 -0.636 -8.476 2.366 1.00 0.59 N ATOM 812 CA VAL A 57 0.095 -8.269 1.127 1.00 0.54 C ATOM 813 C VAL A 57 0.398 -9.625 0.486 1.00 0.57 C ATOM 814 O VAL A 57 0.906 -10.529 1.148 1.00 0.63 O ATOM 815 CB VAL A 57 1.352 -7.440 1.395 1.00 0.60 C ATOM 816 CG1 VAL A 57 0.993 -6.070 1.974 1.00 2.01 C ATOM 817 CG2 VAL A 57 2.318 -8.188 2.314 1.00 1.71 C ATOM 0 H VAL A 57 -0.058 -8.746 3.162 1.00 0.59 H new ATOM 0 HA VAL A 57 -0.507 -7.702 0.417 1.00 0.54 H new ATOM 0 HB VAL A 57 1.855 -7.279 0.442 1.00 0.60 H new ATOM 0 HG11 VAL A 57 1.905 -5.501 2.155 1.00 2.01 H new ATOM 0 HG12 VAL A 57 0.363 -5.530 1.267 1.00 2.01 H new ATOM 0 HG13 VAL A 57 0.455 -6.201 2.913 1.00 2.01 H new ATOM 0 HG21 VAL A 57 3.203 -7.576 2.488 1.00 1.71 H new ATOM 0 HG22 VAL A 57 1.828 -8.396 3.265 1.00 1.71 H new ATOM 0 HG23 VAL A 57 2.613 -9.127 1.845 1.00 1.71 H new ATOM 827 N SER A 58 0.074 -9.724 -0.794 1.00 0.57 N ATOM 828 CA SER A 58 0.306 -10.954 -1.533 1.00 0.65 C ATOM 829 C SER A 58 0.809 -10.632 -2.941 1.00 0.73 C ATOM 830 O SER A 58 0.255 -9.770 -3.621 1.00 1.19 O ATOM 831 CB SER A 58 -0.966 -11.801 -1.605 1.00 0.80 C ATOM 832 OG SER A 58 -1.609 -11.909 -0.337 1.00 0.94 O ATOM 0 H SER A 58 -0.348 -8.972 -1.339 1.00 0.57 H new ATOM 0 HA SER A 58 1.066 -11.531 -1.006 1.00 0.65 H new ATOM 0 HB2 SER A 58 -1.655 -11.359 -2.324 1.00 0.80 H new ATOM 0 HB3 SER A 58 -0.718 -12.797 -1.972 1.00 0.80 H new ATOM 0 HG SER A 58 -2.417 -12.456 -0.426 1.00 0.94 H new ATOM 838 N GLY A 59 1.856 -11.342 -3.337 1.00 0.65 N ATOM 839 CA GLY A 59 2.441 -11.143 -4.652 1.00 0.68 C ATOM 840 C GLY A 59 1.563 -11.761 -5.742 1.00 0.90 C ATOM 841 O GLY A 59 0.762 -12.653 -5.467 1.00 1.08 O ATOM 0 H GLY A 59 2.314 -12.056 -2.770 1.00 0.65 H new ATOM 0 HA2 GLY A 59 2.565 -10.077 -4.841 1.00 0.68 H new ATOM 0 HA3 GLY A 59 3.435 -11.590 -4.683 1.00 0.68 H new ATOM 885 N LYS A 64 8.409 -10.369 -7.829 1.00 0.87 N ATOM 886 CA LYS A 64 8.763 -8.994 -8.139 1.00 0.75 C ATOM 887 C LYS A 64 7.489 -8.150 -8.222 1.00 0.61 C ATOM 888 O LYS A 64 7.555 -6.923 -8.244 1.00 0.66 O ATOM 889 CB LYS A 64 9.623 -8.935 -9.404 1.00 0.79 C ATOM 890 CG LYS A 64 8.791 -9.250 -10.649 1.00 0.82 C ATOM 891 CD LYS A 64 9.295 -8.461 -11.859 1.00 1.14 C ATOM 892 CE LYS A 64 10.261 -9.303 -12.696 1.00 1.57 C ATOM 893 NZ LYS A 64 9.903 -9.227 -14.130 1.00 1.95 N ATOM 0 HA LYS A 64 9.376 -8.570 -7.344 1.00 0.75 H new ATOM 0 HB2 LYS A 64 10.067 -7.944 -9.500 1.00 0.79 H new ATOM 0 HB3 LYS A 64 10.445 -9.646 -9.322 1.00 0.79 H new ATOM 0 HG2 LYS A 64 8.838 -10.318 -10.862 1.00 0.82 H new ATOM 0 HG3 LYS A 64 7.745 -9.008 -10.462 1.00 0.82 H new ATOM 0 HD2 LYS A 64 8.450 -8.151 -12.474 1.00 1.14 H new ATOM 0 HD3 LYS A 64 9.795 -7.553 -11.523 1.00 1.14 H new ATOM 0 HE2 LYS A 64 11.282 -8.949 -12.550 1.00 1.57 H new ATOM 0 HE3 LYS A 64 10.232 -10.340 -12.362 1.00 1.57 H new ATOM 0 HZ1 LYS A 64 10.568 -9.803 -14.685 1.00 1.95 H new ATOM 0 HZ2 LYS A 64 8.936 -9.586 -14.266 1.00 1.95 H new ATOM 0 HZ3 LYS A 64 9.953 -8.238 -14.448 1.00 1.95 H new ATOM 907 N THR A 65 6.360 -8.842 -8.266 1.00 0.58 N ATOM 908 CA THR A 65 5.074 -8.172 -8.346 1.00 0.53 C ATOM 909 C THR A 65 4.304 -8.336 -7.035 1.00 0.51 C ATOM 910 O THR A 65 4.092 -9.456 -6.571 1.00 0.60 O ATOM 911 CB THR A 65 4.328 -8.723 -9.562 1.00 0.67 C ATOM 912 OG1 THR A 65 4.837 -7.966 -10.656 1.00 0.75 O ATOM 913 CG2 THR A 65 2.836 -8.385 -9.537 1.00 0.73 C ATOM 0 H THR A 65 6.310 -9.861 -8.248 1.00 0.58 H new ATOM 0 HA THR A 65 5.196 -7.097 -8.482 1.00 0.53 H new ATOM 0 HB THR A 65 4.454 -9.805 -9.604 1.00 0.67 H new ATOM 0 HG1 THR A 65 4.801 -7.011 -10.438 1.00 0.75 H new ATOM 0 HG21 THR A 65 2.354 -8.800 -10.422 1.00 0.73 H new ATOM 0 HG22 THR A 65 2.381 -8.812 -8.643 1.00 0.73 H new ATOM 0 HG23 THR A 65 2.708 -7.303 -9.528 1.00 0.73 H new ATOM 921 N MET A 66 3.907 -7.205 -6.472 1.00 0.48 N ATOM 922 CA MET A 66 3.165 -7.210 -5.222 1.00 0.47 C ATOM 923 C MET A 66 1.705 -6.814 -5.451 1.00 0.43 C ATOM 924 O MET A 66 1.401 -6.044 -6.361 1.00 0.45 O ATOM 925 CB MET A 66 3.812 -6.231 -4.241 1.00 0.50 C ATOM 926 CG MET A 66 4.475 -6.977 -3.080 1.00 0.57 C ATOM 927 SD MET A 66 6.249 -6.961 -3.277 1.00 1.35 S ATOM 928 CE MET A 66 6.405 -7.956 -4.751 1.00 0.84 C ATOM 0 H MET A 66 4.085 -6.278 -6.858 1.00 0.48 H new ATOM 0 HA MET A 66 3.188 -8.219 -4.810 1.00 0.47 H new ATOM 0 HB2 MET A 66 4.555 -5.627 -4.761 1.00 0.50 H new ATOM 0 HB3 MET A 66 3.058 -5.546 -3.854 1.00 0.50 H new ATOM 0 HG2 MET A 66 4.202 -6.510 -2.134 1.00 0.57 H new ATOM 0 HG3 MET A 66 4.114 -8.005 -3.044 1.00 0.57 H new ATOM 0 HE1 MET A 66 7.372 -8.459 -4.750 1.00 0.84 H new ATOM 0 HE2 MET A 66 5.609 -8.700 -4.774 1.00 0.84 H new ATOM 0 HE3 MET A 66 6.329 -7.317 -5.631 1.00 0.84 H new ATOM 938 N VAL A 67 0.839 -7.357 -4.607 1.00 0.43 N ATOM 939 CA VAL A 67 -0.582 -7.070 -4.705 1.00 0.42 C ATOM 940 C VAL A 67 -1.187 -7.027 -3.301 1.00 0.45 C ATOM 941 O VAL A 67 -1.207 -8.037 -2.598 1.00 0.52 O ATOM 942 CB VAL A 67 -1.261 -8.094 -5.617 1.00 0.44 C ATOM 943 CG1 VAL A 67 -2.763 -7.823 -5.722 1.00 1.76 C ATOM 944 CG2 VAL A 67 -0.608 -8.113 -7.001 1.00 1.53 C ATOM 0 H VAL A 67 1.094 -7.994 -3.852 1.00 0.43 H new ATOM 0 HA VAL A 67 -0.744 -6.092 -5.159 1.00 0.42 H new ATOM 0 HB VAL A 67 -1.129 -9.080 -5.171 1.00 0.44 H new ATOM 0 HG11 VAL A 67 -3.222 -8.565 -6.376 1.00 1.76 H new ATOM 0 HG12 VAL A 67 -3.214 -7.884 -4.731 1.00 1.76 H new ATOM 0 HG13 VAL A 67 -2.925 -6.827 -6.134 1.00 1.76 H new ATOM 0 HG21 VAL A 67 -1.109 -8.849 -7.630 1.00 1.53 H new ATOM 0 HG22 VAL A 67 -0.694 -7.127 -7.458 1.00 1.53 H new ATOM 0 HG23 VAL A 67 0.445 -8.377 -6.903 1.00 1.53 H new ATOM 954 N ILE A 68 -1.666 -5.847 -2.933 1.00 0.43 N ATOM 955 CA ILE A 68 -2.270 -5.660 -1.625 1.00 0.47 C ATOM 956 C ILE A 68 -3.749 -6.041 -1.692 1.00 0.43 C ATOM 957 O ILE A 68 -4.513 -5.447 -2.452 1.00 0.45 O ATOM 958 CB ILE A 68 -2.022 -4.236 -1.120 1.00 0.53 C ATOM 959 CG1 ILE A 68 -0.889 -4.208 -0.093 1.00 0.63 C ATOM 960 CG2 ILE A 68 -3.310 -3.619 -0.570 1.00 0.63 C ATOM 961 CD1 ILE A 68 0.475 -4.133 -0.784 1.00 0.68 C ATOM 0 H ILE A 68 -1.648 -5.012 -3.518 1.00 0.43 H new ATOM 0 HA ILE A 68 -1.805 -6.319 -0.892 1.00 0.47 H new ATOM 0 HB ILE A 68 -1.706 -3.624 -1.964 1.00 0.53 H new ATOM 0 HG12 ILE A 68 -1.014 -3.350 0.568 1.00 0.63 H new ATOM 0 HG13 ILE A 68 -0.936 -5.101 0.531 1.00 0.63 H new ATOM 0 HG21 ILE A 68 -3.107 -2.608 -0.218 1.00 0.63 H new ATOM 0 HG22 ILE A 68 -4.062 -3.585 -1.358 1.00 0.63 H new ATOM 0 HG23 ILE A 68 -3.679 -4.225 0.258 1.00 0.63 H new ATOM 0 HD11 ILE A 68 1.263 -4.114 -0.032 1.00 0.68 H new ATOM 0 HD12 ILE A 68 0.606 -5.004 -1.426 1.00 0.68 H new ATOM 0 HD13 ILE A 68 0.528 -3.227 -1.387 1.00 0.68 H new ATOM 973 N THR A 69 -4.111 -7.029 -0.887 1.00 0.41 N ATOM 974 CA THR A 69 -5.486 -7.496 -0.845 1.00 0.41 C ATOM 975 C THR A 69 -5.992 -7.535 0.598 1.00 0.42 C ATOM 976 O THR A 69 -5.682 -8.464 1.343 1.00 0.47 O ATOM 977 CB THR A 69 -5.546 -8.853 -1.548 1.00 0.47 C ATOM 978 OG1 THR A 69 -6.228 -8.582 -2.769 1.00 0.50 O ATOM 979 CG2 THR A 69 -6.457 -9.847 -0.824 1.00 0.49 C ATOM 0 H THR A 69 -3.475 -7.519 -0.258 1.00 0.41 H new ATOM 0 HA THR A 69 -6.153 -6.812 -1.371 1.00 0.41 H new ATOM 0 HB THR A 69 -4.541 -9.269 -1.621 1.00 0.47 H new ATOM 0 HG1 THR A 69 -6.309 -9.409 -3.289 1.00 0.50 H new ATOM 0 HG21 THR A 69 -6.464 -10.794 -1.364 1.00 0.49 H new ATOM 0 HG22 THR A 69 -6.087 -10.009 0.188 1.00 0.49 H new ATOM 0 HG23 THR A 69 -7.470 -9.447 -0.780 1.00 0.49 H new ATOM 987 N PRO A 70 -6.784 -6.490 0.959 1.00 0.44 N ATOM 988 CA PRO A 70 -7.336 -6.397 2.300 1.00 0.48 C ATOM 989 C PRO A 70 -8.493 -7.382 2.486 1.00 0.49 C ATOM 990 O PRO A 70 -9.337 -7.527 1.603 1.00 0.53 O ATOM 991 CB PRO A 70 -7.763 -4.946 2.450 1.00 0.59 C ATOM 992 CG PRO A 70 -7.862 -4.392 1.037 1.00 0.62 C ATOM 993 CD PRO A 70 -7.173 -5.373 0.102 1.00 0.51 C ATOM 0 HA PRO A 70 -6.615 -6.668 3.071 1.00 0.48 H new ATOM 0 HB2 PRO A 70 -8.720 -4.872 2.966 1.00 0.59 H new ATOM 0 HB3 PRO A 70 -7.038 -4.385 3.040 1.00 0.59 H new ATOM 0 HG2 PRO A 70 -8.906 -4.261 0.751 1.00 0.62 H new ATOM 0 HG3 PRO A 70 -7.389 -3.412 0.977 1.00 0.62 H new ATOM 0 HD2 PRO A 70 -7.843 -5.699 -0.694 1.00 0.51 H new ATOM 0 HD3 PRO A 70 -6.305 -4.920 -0.377 1.00 0.51 H new ATOM 1001 N ALA A 71 -8.493 -8.033 3.640 1.00 0.52 N ATOM 1002 CA ALA A 71 -9.531 -8.999 3.953 1.00 0.57 C ATOM 1003 C ALA A 71 -10.867 -8.271 4.118 1.00 0.60 C ATOM 1004 O ALA A 71 -11.928 -8.863 3.922 1.00 0.70 O ATOM 1005 CB ALA A 71 -9.136 -9.786 5.205 1.00 0.64 C ATOM 0 H ALA A 71 -7.790 -7.910 4.369 1.00 0.52 H new ATOM 0 HA ALA A 71 -9.645 -9.716 3.140 1.00 0.57 H new ATOM 0 HB1 ALA A 71 -9.915 -10.511 5.440 1.00 0.64 H new ATOM 0 HB2 ALA A 71 -8.196 -10.308 5.025 1.00 0.64 H new ATOM 0 HB3 ALA A 71 -9.015 -9.100 6.043 1.00 0.64 H new ATOM 1011 N SER A 72 -10.770 -7.000 4.477 1.00 0.59 N ATOM 1012 CA SER A 72 -11.958 -6.186 4.671 1.00 0.65 C ATOM 1013 C SER A 72 -12.081 -5.162 3.541 1.00 0.69 C ATOM 1014 O SER A 72 -11.079 -4.620 3.078 1.00 0.76 O ATOM 1015 CB SER A 72 -11.925 -5.477 6.027 1.00 0.66 C ATOM 1016 OG SER A 72 -13.165 -5.589 6.718 1.00 0.80 O ATOM 0 H SER A 72 -9.888 -6.514 4.639 1.00 0.59 H new ATOM 0 HA SER A 72 -12.828 -6.842 4.655 1.00 0.65 H new ATOM 0 HB2 SER A 72 -11.129 -5.902 6.639 1.00 0.66 H new ATOM 0 HB3 SER A 72 -11.686 -4.424 5.880 1.00 0.66 H new ATOM 0 HG SER A 72 -13.103 -5.125 7.579 1.00 0.80 H new ATOM 1022 N PRO A 73 -13.351 -4.923 3.116 1.00 0.72 N ATOM 1023 CA PRO A 73 -13.618 -3.975 2.049 1.00 0.80 C ATOM 1024 C PRO A 73 -13.476 -2.535 2.546 1.00 0.70 C ATOM 1025 O PRO A 73 -13.969 -2.194 3.621 1.00 0.63 O ATOM 1026 CB PRO A 73 -15.024 -4.302 1.574 1.00 0.93 C ATOM 1027 CG PRO A 73 -15.665 -5.108 2.693 1.00 0.91 C ATOM 1028 CD PRO A 73 -14.562 -5.547 3.641 1.00 0.78 C ATOM 0 HA PRO A 73 -12.905 -4.055 1.228 1.00 0.80 H new ATOM 0 HB2 PRO A 73 -15.590 -3.392 1.374 1.00 0.93 H new ATOM 0 HB3 PRO A 73 -15.000 -4.873 0.646 1.00 0.93 H new ATOM 0 HG2 PRO A 73 -16.405 -4.507 3.221 1.00 0.91 H new ATOM 0 HG3 PRO A 73 -16.188 -5.974 2.288 1.00 0.91 H new ATOM 0 HD2 PRO A 73 -14.764 -5.222 4.661 1.00 0.78 H new ATOM 0 HD3 PRO A 73 -14.469 -6.633 3.665 1.00 0.78 H new ATOM 1036 N LEU A 74 -12.799 -1.729 1.742 1.00 0.76 N ATOM 1037 CA LEU A 74 -12.587 -0.333 2.087 1.00 0.75 C ATOM 1038 C LEU A 74 -13.928 0.404 2.065 1.00 0.77 C ATOM 1039 O LEU A 74 -14.561 0.516 1.017 1.00 0.86 O ATOM 1040 CB LEU A 74 -11.528 0.289 1.175 1.00 0.86 C ATOM 1041 CG LEU A 74 -10.162 -0.401 1.163 1.00 0.93 C ATOM 1042 CD1 LEU A 74 -9.341 0.029 -0.054 1.00 1.10 C ATOM 1043 CD2 LEU A 74 -9.414 -0.157 2.475 1.00 0.90 C ATOM 0 H LEU A 74 -12.390 -2.015 0.853 1.00 0.76 H new ATOM 0 HA LEU A 74 -12.193 -0.247 3.100 1.00 0.75 H new ATOM 0 HB2 LEU A 74 -11.916 0.300 0.156 1.00 0.86 H new ATOM 0 HB3 LEU A 74 -11.385 1.328 1.473 1.00 0.86 H new ATOM 0 HG LEU A 74 -10.322 -1.476 1.079 1.00 0.93 H new ATOM 0 HD11 LEU A 74 -8.375 -0.476 -0.038 1.00 1.10 H new ATOM 0 HD12 LEU A 74 -9.875 -0.238 -0.966 1.00 1.10 H new ATOM 0 HD13 LEU A 74 -9.187 1.108 -0.026 1.00 1.10 H new ATOM 0 HD21 LEU A 74 -8.446 -0.658 2.441 1.00 0.90 H new ATOM 0 HD22 LEU A 74 -9.264 0.914 2.614 1.00 0.90 H new ATOM 0 HD23 LEU A 74 -9.998 -0.553 3.306 1.00 0.90 H new ATOM 1055 N THR A 75 -14.320 0.887 3.235 1.00 0.79 N ATOM 1056 CA THR A 75 -15.573 1.610 3.363 1.00 0.92 C ATOM 1057 C THR A 75 -15.363 3.097 3.071 1.00 0.95 C ATOM 1058 O THR A 75 -14.240 3.594 3.135 1.00 1.04 O ATOM 1059 CB THR A 75 -16.135 1.338 4.761 1.00 1.06 C ATOM 1060 OG1 THR A 75 -15.079 1.718 5.639 1.00 1.11 O ATOM 1061 CG2 THR A 75 -16.328 -0.155 5.034 1.00 0.94 C ATOM 0 H THR A 75 -13.792 0.792 4.102 1.00 0.79 H new ATOM 0 HA THR A 75 -16.304 1.268 2.631 1.00 0.92 H new ATOM 0 HB THR A 75 -17.088 1.854 4.876 1.00 1.06 H new ATOM 0 HG1 THR A 75 -14.414 2.240 5.144 1.00 1.11 H new ATOM 0 HG21 THR A 75 -16.728 -0.292 6.038 1.00 0.94 H new ATOM 0 HG22 THR A 75 -17.024 -0.571 4.306 1.00 0.94 H new ATOM 0 HG23 THR A 75 -15.369 -0.667 4.953 1.00 0.94 H new ATOM 1069 N ALA A 76 -16.463 3.767 2.758 1.00 0.92 N ATOM 1070 CA ALA A 76 -16.414 5.187 2.457 1.00 0.99 C ATOM 1071 C ALA A 76 -15.451 5.877 3.425 1.00 0.94 C ATOM 1072 O ALA A 76 -15.418 5.551 4.611 1.00 1.18 O ATOM 1073 CB ALA A 76 -17.826 5.773 2.523 1.00 1.15 C ATOM 0 H ALA A 76 -17.393 3.352 2.707 1.00 0.92 H new ATOM 0 HA ALA A 76 -16.040 5.351 1.447 1.00 0.99 H new ATOM 0 HB1 ALA A 76 -17.789 6.839 2.297 1.00 1.15 H new ATOM 0 HB2 ALA A 76 -18.463 5.270 1.796 1.00 1.15 H new ATOM 0 HB3 ALA A 76 -18.234 5.628 3.524 1.00 1.15 H new ATOM 1079 N GLY A 77 -14.691 6.818 2.884 1.00 0.75 N ATOM 1080 CA GLY A 77 -13.729 7.556 3.686 1.00 0.71 C ATOM 1081 C GLY A 77 -12.406 7.727 2.936 1.00 0.64 C ATOM 1082 O GLY A 77 -12.379 7.706 1.707 1.00 0.66 O ATOM 0 H GLY A 77 -14.722 7.086 1.900 1.00 0.75 H new ATOM 0 HA2 GLY A 77 -14.136 8.535 3.940 1.00 0.71 H new ATOM 0 HA3 GLY A 77 -13.554 7.031 4.625 1.00 0.71 H new ATOM 1086 N THR A 78 -11.343 7.892 3.708 1.00 0.60 N ATOM 1087 CA THR A 78 -10.020 8.067 3.133 1.00 0.55 C ATOM 1088 C THR A 78 -8.995 7.216 3.886 1.00 0.53 C ATOM 1089 O THR A 78 -9.079 7.071 5.105 1.00 0.55 O ATOM 1090 CB THR A 78 -9.694 9.561 3.141 1.00 0.54 C ATOM 1091 OG1 THR A 78 -10.091 10.010 1.848 1.00 0.84 O ATOM 1092 CG2 THR A 78 -8.189 9.832 3.184 1.00 0.92 C ATOM 0 H THR A 78 -11.370 7.908 4.728 1.00 0.60 H new ATOM 0 HA THR A 78 -9.988 7.720 2.100 1.00 0.55 H new ATOM 0 HB THR A 78 -10.172 10.032 4.000 1.00 0.54 H new ATOM 0 HG1 THR A 78 -10.098 10.990 1.830 1.00 0.84 H new ATOM 0 HG21 THR A 78 -8.013 10.908 3.188 1.00 0.92 H new ATOM 0 HG22 THR A 78 -7.766 9.392 4.087 1.00 0.92 H new ATOM 0 HG23 THR A 78 -7.715 9.390 2.308 1.00 0.92 H new ATOM 1100 N TYR A 79 -8.051 6.678 3.128 1.00 0.52 N ATOM 1101 CA TYR A 79 -7.010 5.845 3.709 1.00 0.53 C ATOM 1102 C TYR A 79 -5.671 6.072 3.006 1.00 0.48 C ATOM 1103 O TYR A 79 -5.599 6.808 2.022 1.00 0.51 O ATOM 1104 CB TYR A 79 -7.452 4.398 3.484 1.00 0.63 C ATOM 1105 CG TYR A 79 -8.872 4.099 3.969 1.00 0.69 C ATOM 1106 CD1 TYR A 79 -9.956 4.647 3.313 1.00 1.49 C ATOM 1107 CD2 TYR A 79 -9.070 3.280 5.063 1.00 2.06 C ATOM 1108 CE1 TYR A 79 -11.292 4.365 3.769 1.00 1.50 C ATOM 1109 CE2 TYR A 79 -10.406 2.998 5.518 1.00 2.11 C ATOM 1110 CZ TYR A 79 -11.452 3.555 4.850 1.00 0.86 C ATOM 1111 OH TYR A 79 -12.713 3.289 5.281 1.00 0.96 O ATOM 0 H TYR A 79 -7.985 6.802 2.118 1.00 0.52 H new ATOM 0 HA TYR A 79 -6.875 6.081 4.765 1.00 0.53 H new ATOM 0 HB2 TYR A 79 -7.387 4.170 2.420 1.00 0.63 H new ATOM 0 HB3 TYR A 79 -6.757 3.733 3.996 1.00 0.63 H new ATOM 0 HD1 TYR A 79 -9.802 5.288 2.457 1.00 1.49 H new ATOM 0 HD2 TYR A 79 -8.223 2.851 5.577 1.00 2.06 H new ATOM 0 HE1 TYR A 79 -12.148 4.787 3.264 1.00 1.50 H new ATOM 0 HE2 TYR A 79 -10.574 2.358 6.371 1.00 2.11 H new ATOM 0 HH TYR A 79 -13.360 3.741 4.699 1.00 0.96 H new ATOM 1121 N LYS A 80 -4.643 5.426 3.536 1.00 0.46 N ATOM 1122 CA LYS A 80 -3.310 5.549 2.971 1.00 0.46 C ATOM 1123 C LYS A 80 -2.569 4.219 3.132 1.00 0.45 C ATOM 1124 O LYS A 80 -2.463 3.694 4.239 1.00 0.46 O ATOM 1125 CB LYS A 80 -2.574 6.741 3.587 1.00 0.51 C ATOM 1126 CG LYS A 80 -1.095 6.735 3.193 1.00 1.28 C ATOM 1127 CD LYS A 80 -0.219 6.271 4.359 1.00 2.32 C ATOM 1128 CE LYS A 80 0.549 7.446 4.968 1.00 2.47 C ATOM 1129 NZ LYS A 80 -0.354 8.286 5.788 1.00 2.51 N ATOM 0 H LYS A 80 -4.706 4.816 4.351 1.00 0.46 H new ATOM 0 HA LYS A 80 -3.367 5.757 1.903 1.00 0.46 H new ATOM 0 HB2 LYS A 80 -3.038 7.670 3.256 1.00 0.51 H new ATOM 0 HB3 LYS A 80 -2.665 6.708 4.673 1.00 0.51 H new ATOM 0 HG2 LYS A 80 -0.946 6.077 2.337 1.00 1.28 H new ATOM 0 HG3 LYS A 80 -0.794 7.735 2.883 1.00 1.28 H new ATOM 0 HD2 LYS A 80 -0.841 5.803 5.122 1.00 2.32 H new ATOM 0 HD3 LYS A 80 0.483 5.513 4.012 1.00 2.32 H new ATOM 0 HE2 LYS A 80 1.368 7.073 5.584 1.00 2.47 H new ATOM 0 HE3 LYS A 80 0.995 8.047 4.175 1.00 2.47 H new ATOM 0 HZ1 LYS A 80 0.183 9.079 6.194 1.00 2.51 H new ATOM 0 HZ2 LYS A 80 -1.121 8.657 5.191 1.00 2.51 H new ATOM 0 HZ3 LYS A 80 -0.759 7.713 6.556 1.00 2.51 H new ATOM 1143 N VAL A 81 -2.076 3.715 2.011 1.00 0.48 N ATOM 1144 CA VAL A 81 -1.348 2.457 2.013 1.00 0.49 C ATOM 1145 C VAL A 81 0.154 2.742 2.077 1.00 0.49 C ATOM 1146 O VAL A 81 0.727 3.288 1.136 1.00 0.57 O ATOM 1147 CB VAL A 81 -1.746 1.619 0.795 1.00 0.50 C ATOM 1148 CG1 VAL A 81 -0.953 0.312 0.746 1.00 0.58 C ATOM 1149 CG2 VAL A 81 -3.252 1.348 0.785 1.00 0.57 C ATOM 0 H VAL A 81 -2.166 4.154 1.095 1.00 0.48 H new ATOM 0 HA VAL A 81 -1.606 1.869 2.894 1.00 0.49 H new ATOM 0 HB VAL A 81 -1.503 2.192 -0.100 1.00 0.50 H new ATOM 0 HG11 VAL A 81 -1.255 -0.264 -0.129 1.00 0.58 H new ATOM 0 HG12 VAL A 81 0.112 0.535 0.684 1.00 0.58 H new ATOM 0 HG13 VAL A 81 -1.150 -0.267 1.648 1.00 0.58 H new ATOM 0 HG21 VAL A 81 -3.508 0.751 -0.090 1.00 0.57 H new ATOM 0 HG22 VAL A 81 -3.530 0.805 1.689 1.00 0.57 H new ATOM 0 HG23 VAL A 81 -3.792 2.294 0.750 1.00 0.57 H new ATOM 1159 N ASP A 82 0.749 2.359 3.198 1.00 0.51 N ATOM 1160 CA ASP A 82 2.173 2.566 3.396 1.00 0.52 C ATOM 1161 C ASP A 82 2.930 1.300 2.991 1.00 0.49 C ATOM 1162 O ASP A 82 2.804 0.263 3.639 1.00 0.59 O ATOM 1163 CB ASP A 82 2.488 2.855 4.866 1.00 0.62 C ATOM 1164 CG ASP A 82 1.687 4.003 5.485 1.00 0.73 C ATOM 1165 OD1 ASP A 82 0.482 3.875 5.742 1.00 1.79 O ATOM 1166 OD2 ASP A 82 2.362 5.079 5.708 1.00 1.73 O ATOM 0 H ASP A 82 0.271 1.907 3.977 1.00 0.51 H new ATOM 0 HA ASP A 82 2.478 3.417 2.787 1.00 0.52 H new ATOM 0 HB2 ASP A 82 2.305 1.950 5.446 1.00 0.62 H new ATOM 0 HB3 ASP A 82 3.550 3.083 4.957 1.00 0.62 H new ATOM 1171 N TRP A 83 3.701 1.427 1.922 1.00 0.41 N ATOM 1172 CA TRP A 83 4.478 0.306 1.421 1.00 0.42 C ATOM 1173 C TRP A 83 5.953 0.580 1.725 1.00 0.46 C ATOM 1174 O TRP A 83 6.337 1.722 1.974 1.00 0.46 O ATOM 1175 CB TRP A 83 4.208 0.071 -0.066 1.00 0.40 C ATOM 1176 CG TRP A 83 4.402 1.313 -0.938 1.00 0.38 C ATOM 1177 CD1 TRP A 83 3.462 2.134 -1.425 1.00 0.42 C ATOM 1178 CD2 TRP A 83 5.659 1.845 -1.409 1.00 0.38 C ATOM 1179 NE1 TRP A 83 4.018 3.152 -2.172 1.00 0.45 N ATOM 1180 CE2 TRP A 83 5.396 2.971 -2.163 1.00 0.41 C ATOM 1181 CE3 TRP A 83 6.973 1.391 -1.205 1.00 0.43 C ATOM 1182 CZ2 TRP A 83 6.398 3.736 -2.773 1.00 0.45 C ATOM 1183 CZ3 TRP A 83 7.962 2.166 -1.821 1.00 0.47 C ATOM 1184 CH2 TRP A 83 7.714 3.301 -2.583 1.00 0.47 C ATOM 0 H TRP A 83 3.805 2.290 1.388 1.00 0.41 H new ATOM 0 HA TRP A 83 4.185 -0.619 1.919 1.00 0.42 H new ATOM 0 HB2 TRP A 83 4.869 -0.719 -0.424 1.00 0.40 H new ATOM 0 HB3 TRP A 83 3.186 -0.289 -0.187 1.00 0.40 H new ATOM 0 HD1 TRP A 83 2.402 2.014 -1.254 1.00 0.42 H new ATOM 0 HE1 TRP A 83 3.511 3.900 -2.644 1.00 0.45 H new ATOM 0 HE3 TRP A 83 7.202 0.513 -0.619 1.00 0.43 H new ATOM 0 HZ2 TRP A 83 6.167 4.614 -3.358 1.00 0.45 H new ATOM 0 HZ3 TRP A 83 8.990 1.860 -1.695 1.00 0.47 H new ATOM 0 HH2 TRP A 83 8.534 3.845 -3.027 1.00 0.47 H new ATOM 1195 N ARG A 84 6.739 -0.486 1.694 1.00 0.59 N ATOM 1196 CA ARG A 84 8.162 -0.374 1.963 1.00 0.66 C ATOM 1197 C ARG A 84 8.938 -1.421 1.161 1.00 0.71 C ATOM 1198 O ARG A 84 8.731 -2.621 1.338 1.00 0.77 O ATOM 1199 CB ARG A 84 8.458 -0.561 3.453 1.00 0.75 C ATOM 1200 CG ARG A 84 8.338 0.766 4.206 1.00 0.81 C ATOM 1201 CD ARG A 84 8.150 0.529 5.706 1.00 1.32 C ATOM 1202 NE ARG A 84 9.460 0.268 6.344 1.00 2.78 N ATOM 1203 CZ ARG A 84 10.008 -0.959 6.473 1.00 4.24 C ATOM 1204 NH1 ARG A 84 9.363 -2.049 6.007 1.00 4.59 N ATOM 1205 NH2 ARG A 84 11.184 -1.076 7.061 1.00 5.84 N ATOM 0 H ARG A 84 6.417 -1.431 1.487 1.00 0.59 H new ATOM 0 HA ARG A 84 8.478 0.626 1.664 1.00 0.66 H new ATOM 0 HB2 ARG A 84 7.765 -1.288 3.877 1.00 0.75 H new ATOM 0 HB3 ARG A 84 9.462 -0.966 3.580 1.00 0.75 H new ATOM 0 HG2 ARG A 84 9.232 1.366 4.038 1.00 0.81 H new ATOM 0 HG3 ARG A 84 7.494 1.335 3.815 1.00 0.81 H new ATOM 0 HD2 ARG A 84 7.680 1.399 6.164 1.00 1.32 H new ATOM 0 HD3 ARG A 84 7.482 -0.317 5.868 1.00 1.32 H new ATOM 0 HE ARG A 84 9.981 1.065 6.709 1.00 2.78 H new ATOM 0 HH11 ARG A 84 8.455 -1.949 5.553 1.00 4.59 H new ATOM 0 HH12 ARG A 84 9.784 -2.973 6.108 1.00 4.59 H new ATOM 0 HH21 ARG A 84 11.665 -0.247 7.410 1.00 5.84 H new ATOM 0 HH22 ARG A 84 11.612 -1.996 7.167 1.00 5.84 H new ATOM 1324 N ILE A 93 13.284 1.453 1.535 1.00 0.72 N ATOM 1325 CA ILE A 93 12.618 2.621 0.983 1.00 0.66 C ATOM 1326 C ILE A 93 11.141 2.598 1.382 1.00 0.58 C ATOM 1327 O ILE A 93 10.427 1.647 1.070 1.00 0.77 O ATOM 1328 CB ILE A 93 12.847 2.703 -0.528 1.00 0.86 C ATOM 1329 CG1 ILE A 93 12.329 1.447 -1.230 1.00 2.08 C ATOM 1330 CG2 ILE A 93 14.319 2.971 -0.846 1.00 2.68 C ATOM 1331 CD1 ILE A 93 12.371 1.611 -2.750 1.00 3.13 C ATOM 0 HA ILE A 93 13.045 3.535 1.397 1.00 0.66 H new ATOM 0 HB ILE A 93 12.275 3.547 -0.914 1.00 0.86 H new ATOM 0 HG12 ILE A 93 12.932 0.588 -0.937 1.00 2.08 H new ATOM 0 HG13 ILE A 93 11.307 1.243 -0.911 1.00 2.08 H new ATOM 0 HG21 ILE A 93 14.454 3.025 -1.926 1.00 2.68 H new ATOM 0 HG22 ILE A 93 14.622 3.916 -0.395 1.00 2.68 H new ATOM 0 HG23 ILE A 93 14.931 2.164 -0.443 1.00 2.68 H new ATOM 0 HD11 ILE A 93 11.997 0.704 -3.224 1.00 3.13 H new ATOM 0 HD12 ILE A 93 11.748 2.456 -3.042 1.00 3.13 H new ATOM 0 HD13 ILE A 93 13.398 1.790 -3.068 1.00 3.13 H new ATOM 1343 N THR A 94 10.728 3.655 2.064 1.00 0.64 N ATOM 1344 CA THR A 94 9.350 3.767 2.508 1.00 0.60 C ATOM 1345 C THR A 94 8.518 4.534 1.477 1.00 0.56 C ATOM 1346 O THR A 94 9.042 5.386 0.761 1.00 0.66 O ATOM 1347 CB THR A 94 9.351 4.419 3.892 1.00 0.68 C ATOM 1348 OG1 THR A 94 10.010 5.666 3.689 1.00 0.75 O ATOM 1349 CG2 THR A 94 10.249 3.680 4.886 1.00 0.81 C ATOM 0 H THR A 94 11.324 4.442 2.320 1.00 0.64 H new ATOM 0 HA THR A 94 8.882 2.787 2.594 1.00 0.60 H new ATOM 0 HB THR A 94 8.332 4.452 4.278 1.00 0.68 H new ATOM 0 HG1 THR A 94 10.053 6.155 4.537 1.00 0.75 H new ATOM 0 HG21 THR A 94 10.214 4.183 5.852 1.00 0.81 H new ATOM 0 HG22 THR A 94 9.900 2.654 4.999 1.00 0.81 H new ATOM 0 HG23 THR A 94 11.274 3.676 4.516 1.00 0.81 H new ATOM 1357 N GLY A 95 7.236 4.203 1.434 1.00 0.53 N ATOM 1358 CA GLY A 95 6.327 4.849 0.503 1.00 0.51 C ATOM 1359 C GLY A 95 4.888 4.798 1.018 1.00 0.48 C ATOM 1360 O GLY A 95 4.537 3.922 1.808 1.00 0.52 O ATOM 0 H GLY A 95 6.805 3.496 2.029 1.00 0.53 H new ATOM 0 HA2 GLY A 95 6.628 5.886 0.356 1.00 0.51 H new ATOM 0 HA3 GLY A 95 6.387 4.359 -0.469 1.00 0.51 H new ATOM 1364 N SER A 96 4.091 5.749 0.549 1.00 0.51 N ATOM 1365 CA SER A 96 2.698 5.823 0.952 1.00 0.56 C ATOM 1366 C SER A 96 1.825 6.200 -0.246 1.00 0.53 C ATOM 1367 O SER A 96 2.263 6.937 -1.129 1.00 0.54 O ATOM 1368 CB SER A 96 2.505 6.831 2.087 1.00 0.70 C ATOM 1369 OG SER A 96 3.749 7.311 2.591 1.00 0.88 O ATOM 0 H SER A 96 4.385 6.474 -0.106 1.00 0.51 H new ATOM 0 HA SER A 96 2.397 4.842 1.319 1.00 0.56 H new ATOM 0 HB2 SER A 96 1.910 7.671 1.729 1.00 0.70 H new ATOM 0 HB3 SER A 96 1.942 6.364 2.895 1.00 0.70 H new ATOM 0 HG SER A 96 3.584 7.953 3.313 1.00 0.88 H new ATOM 1375 N VAL A 97 0.607 5.678 -0.240 1.00 0.53 N ATOM 1376 CA VAL A 97 -0.330 5.950 -1.316 1.00 0.50 C ATOM 1377 C VAL A 97 -1.711 6.236 -0.723 1.00 0.49 C ATOM 1378 O VAL A 97 -2.418 5.316 -0.316 1.00 0.46 O ATOM 1379 CB VAL A 97 -0.334 4.790 -2.312 1.00 0.50 C ATOM 1380 CG1 VAL A 97 -1.251 5.091 -3.500 1.00 0.53 C ATOM 1381 CG2 VAL A 97 1.084 4.464 -2.783 1.00 0.55 C ATOM 0 H VAL A 97 0.248 5.068 0.494 1.00 0.53 H new ATOM 0 HA VAL A 97 -0.026 6.836 -1.873 1.00 0.50 H new ATOM 0 HB VAL A 97 -0.726 3.911 -1.800 1.00 0.50 H new ATOM 0 HG11 VAL A 97 -1.236 4.250 -4.194 1.00 0.53 H new ATOM 0 HG12 VAL A 97 -2.269 5.249 -3.143 1.00 0.53 H new ATOM 0 HG13 VAL A 97 -0.902 5.989 -4.011 1.00 0.53 H new ATOM 0 HG21 VAL A 97 1.051 3.635 -3.490 1.00 0.55 H new ATOM 0 HG22 VAL A 97 1.516 5.339 -3.269 1.00 0.55 H new ATOM 0 HG23 VAL A 97 1.697 4.185 -1.926 1.00 0.55 H new ATOM 1391 N THR A 98 -2.055 7.515 -0.694 1.00 0.53 N ATOM 1392 CA THR A 98 -3.339 7.933 -0.157 1.00 0.54 C ATOM 1393 C THR A 98 -4.414 7.873 -1.243 1.00 0.52 C ATOM 1394 O THR A 98 -4.179 8.279 -2.379 1.00 0.55 O ATOM 1395 CB THR A 98 -3.166 9.327 0.451 1.00 0.60 C ATOM 1396 OG1 THR A 98 -4.325 9.497 1.262 1.00 0.63 O ATOM 1397 CG2 THR A 98 -3.276 10.439 -0.594 1.00 0.62 C ATOM 0 H THR A 98 -1.467 8.276 -1.034 1.00 0.53 H new ATOM 0 HA THR A 98 -3.678 7.259 0.630 1.00 0.54 H new ATOM 0 HB THR A 98 -2.197 9.390 0.947 1.00 0.60 H new ATOM 0 HG1 THR A 98 -4.637 8.622 1.574 1.00 0.63 H new ATOM 0 HG21 THR A 98 -3.146 11.407 -0.110 1.00 0.62 H new ATOM 0 HG22 THR A 98 -2.503 10.305 -1.351 1.00 0.62 H new ATOM 0 HG23 THR A 98 -4.257 10.398 -1.066 1.00 0.62 H new ATOM 1405 N PHE A 99 -5.574 7.362 -0.855 1.00 0.51 N ATOM 1406 CA PHE A 99 -6.687 7.243 -1.781 1.00 0.50 C ATOM 1407 C PHE A 99 -8.020 7.483 -1.069 1.00 0.48 C ATOM 1408 O PHE A 99 -8.117 7.326 0.147 1.00 0.51 O ATOM 1409 CB PHE A 99 -6.664 5.814 -2.327 1.00 0.49 C ATOM 1410 CG PHE A 99 -7.046 4.748 -1.297 1.00 0.52 C ATOM 1411 CD1 PHE A 99 -8.355 4.539 -0.989 1.00 1.58 C ATOM 1412 CD2 PHE A 99 -6.078 4.011 -0.691 1.00 1.98 C ATOM 1413 CE1 PHE A 99 -8.709 3.550 -0.033 1.00 1.57 C ATOM 1414 CE2 PHE A 99 -6.432 3.022 0.265 1.00 2.01 C ATOM 1415 CZ PHE A 99 -7.740 2.812 0.574 1.00 0.58 C ATOM 0 H PHE A 99 -5.767 7.026 0.089 1.00 0.51 H new ATOM 0 HA PHE A 99 -6.591 7.983 -2.575 1.00 0.50 H new ATOM 0 HB2 PHE A 99 -7.348 5.748 -3.173 1.00 0.49 H new ATOM 0 HB3 PHE A 99 -5.665 5.597 -2.706 1.00 0.49 H new ATOM 0 HD1 PHE A 99 -9.124 5.125 -1.471 1.00 1.58 H new ATOM 0 HD2 PHE A 99 -5.040 4.177 -0.936 1.00 1.98 H new ATOM 0 HE1 PHE A 99 -9.748 3.384 0.212 1.00 1.57 H new ATOM 0 HE2 PHE A 99 -5.663 2.437 0.747 1.00 2.01 H new ATOM 0 HZ PHE A 99 -8.009 2.060 1.301 1.00 0.58 H new ATOM 1425 N LYS A 100 -9.015 7.861 -1.858 1.00 0.49 N ATOM 1426 CA LYS A 100 -10.339 8.124 -1.318 1.00 0.48 C ATOM 1427 C LYS A 100 -11.262 6.949 -1.645 1.00 0.59 C ATOM 1428 O LYS A 100 -10.940 6.120 -2.496 1.00 0.71 O ATOM 1429 CB LYS A 100 -10.862 9.473 -1.816 1.00 0.49 C ATOM 1430 CG LYS A 100 -9.974 10.620 -1.328 1.00 0.54 C ATOM 1431 CD LYS A 100 -10.498 11.969 -1.825 1.00 1.38 C ATOM 1432 CE LYS A 100 -9.385 12.776 -2.495 1.00 2.65 C ATOM 1433 NZ LYS A 100 -9.018 13.944 -1.663 1.00 3.08 N ATOM 0 H LYS A 100 -8.932 7.991 -2.866 1.00 0.49 H new ATOM 0 HA LYS A 100 -10.298 8.204 -0.232 1.00 0.48 H new ATOM 0 HB2 LYS A 100 -10.897 9.474 -2.905 1.00 0.49 H new ATOM 0 HB3 LYS A 100 -11.883 9.624 -1.464 1.00 0.49 H new ATOM 0 HG2 LYS A 100 -9.938 10.619 -0.239 1.00 0.54 H new ATOM 0 HG3 LYS A 100 -8.954 10.470 -1.681 1.00 0.54 H new ATOM 0 HD2 LYS A 100 -11.312 11.809 -2.532 1.00 1.38 H new ATOM 0 HD3 LYS A 100 -10.909 12.534 -0.988 1.00 1.38 H new ATOM 0 HE2 LYS A 100 -8.511 12.143 -2.649 1.00 2.65 H new ATOM 0 HE3 LYS A 100 -9.713 13.112 -3.479 1.00 2.65 H new ATOM 0 HZ1 LYS A 100 -8.261 14.481 -2.133 1.00 3.08 H new ATOM 0 HZ2 LYS A 100 -9.850 14.556 -1.537 1.00 3.08 H new ATOM 0 HZ3 LYS A 100 -8.685 13.617 -0.733 1.00 3.08 H new ATOM 1447 N VAL A 101 -12.392 6.913 -0.953 1.00 0.57 N ATOM 1448 CA VAL A 101 -13.363 5.852 -1.159 1.00 0.69 C ATOM 1449 C VAL A 101 -14.770 6.402 -0.917 1.00 0.79 C ATOM 1450 O VAL A 101 -15.100 6.804 0.198 1.00 0.84 O ATOM 1451 CB VAL A 101 -13.027 4.655 -0.268 1.00 0.75 C ATOM 1452 CG1 VAL A 101 -14.258 3.774 -0.047 1.00 1.09 C ATOM 1453 CG2 VAL A 101 -11.870 3.843 -0.854 1.00 0.57 C ATOM 0 H VAL A 101 -12.656 7.602 -0.249 1.00 0.57 H new ATOM 0 HA VAL A 101 -13.326 5.494 -2.188 1.00 0.69 H new ATOM 0 HB VAL A 101 -12.710 5.038 0.702 1.00 0.75 H new ATOM 0 HG11 VAL A 101 -13.992 2.930 0.590 1.00 1.09 H new ATOM 0 HG12 VAL A 101 -15.042 4.359 0.434 1.00 1.09 H new ATOM 0 HG13 VAL A 101 -14.618 3.405 -1.007 1.00 1.09 H new ATOM 0 HG21 VAL A 101 -11.651 2.998 -0.201 1.00 0.57 H new ATOM 0 HG22 VAL A 101 -12.147 3.476 -1.842 1.00 0.57 H new ATOM 0 HG23 VAL A 101 -10.986 4.476 -0.937 1.00 0.57 H new ATOM 1463 N LYS A 102 -15.562 6.403 -1.979 1.00 0.83 N ATOM 1464 CA LYS A 102 -16.926 6.896 -1.895 1.00 0.94 C ATOM 1465 C LYS A 102 -17.856 5.747 -1.501 1.00 1.46 C ATOM 1466 O LYS A 102 -18.970 5.978 -1.032 1.00 1.69 O ATOM 1467 CB LYS A 102 -17.325 7.590 -3.200 1.00 1.06 C ATOM 1468 CG LYS A 102 -16.344 8.712 -3.546 1.00 0.98 C ATOM 1469 CD LYS A 102 -16.692 9.996 -2.791 1.00 1.11 C ATOM 1470 CE LYS A 102 -15.550 11.012 -2.883 1.00 1.73 C ATOM 1471 NZ LYS A 102 -15.095 11.402 -1.530 1.00 2.91 N ATOM 1472 OXT LYS A 102 -17.405 4.732 -0.975 1.00 1.86 O ATOM 0 H LYS A 102 -15.285 6.070 -2.902 1.00 0.83 H new ATOM 0 HA LYS A 102 -17.010 7.655 -1.117 1.00 0.94 H new ATOM 0 HB2 LYS A 102 -17.351 6.862 -4.010 1.00 1.06 H new ATOM 0 HB3 LYS A 102 -18.331 7.998 -3.106 1.00 1.06 H new ATOM 0 HG2 LYS A 102 -15.329 8.403 -3.296 1.00 0.98 H new ATOM 0 HG3 LYS A 102 -16.365 8.900 -4.619 1.00 0.98 H new ATOM 0 HD2 LYS A 102 -17.603 10.429 -3.203 1.00 1.11 H new ATOM 0 HD3 LYS A 102 -16.894 9.764 -1.745 1.00 1.11 H new ATOM 0 HE2 LYS A 102 -14.719 10.584 -3.444 1.00 1.73 H new ATOM 0 HE3 LYS A 102 -15.883 11.894 -3.430 1.00 1.73 H new ATOM 0 HZ1 LYS A 102 -14.320 12.091 -1.610 1.00 2.91 H new ATOM 0 HZ2 LYS A 102 -15.886 11.829 -1.007 1.00 2.91 H new ATOM 0 HZ3 LYS A 102 -14.758 10.560 -1.021 1.00 2.91 H new