USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 495 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 33 LYS NZ :NH3+ -170:sc= 0.796 (180deg=0.713) USER MOD Set 1.2: A 59 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0214) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot 180:sc= -2.51 USER MOD Single : A 38 LYS NZ :NH3+ 156:sc=0.000627 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= -0.403 (180deg=-0.411) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0.112 (180deg=0.101) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N LEU A 7 -7.149 -1.401 7.053 1.00 0.00 N ATOM 94 CA LEU A 7 -6.480 -1.007 5.817 1.00 0.00 C ATOM 95 C LEU A 7 -5.112 -0.388 6.098 1.00 0.00 C ATOM 96 O LEU A 7 -4.171 -0.564 5.323 1.00 0.00 O ATOM 97 CB LEU A 7 -7.352 -0.010 5.050 1.00 0.00 C ATOM 98 CG LEU A 7 -7.363 -0.189 3.533 1.00 0.00 C ATOM 99 CD1 LEU A 7 -8.206 0.892 2.875 1.00 0.00 C ATOM 100 CD2 LEU A 7 -5.944 -0.168 2.985 1.00 0.00 C ATOM 0 HA LEU A 7 -6.329 -1.902 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.375 -0.090 5.417 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -7.009 0.999 5.278 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.807 -1.158 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.202 0.749 1.794 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -9.229 0.832 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.791 1.872 3.113 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -5.970 -0.297 1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -5.475 0.786 3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -5.369 -0.978 3.433 1.00 0.00 H new ATOM 112 N GLU A 8 -5.012 0.348 7.200 1.00 0.00 N ATOM 113 CA GLU A 8 -3.762 1.006 7.571 1.00 0.00 C ATOM 114 C GLU A 8 -2.737 0.009 8.109 1.00 0.00 C ATOM 115 O GLU A 8 -1.538 0.156 7.877 1.00 0.00 O ATOM 116 CB GLU A 8 -4.027 2.092 8.614 1.00 0.00 C ATOM 117 CG GLU A 8 -4.422 3.430 8.009 1.00 0.00 C ATOM 118 CD GLU A 8 -4.692 4.488 9.060 1.00 0.00 C ATOM 119 OE1 GLU A 8 -5.323 4.158 10.087 1.00 0.00 O ATOM 120 OE2 GLU A 8 -4.276 5.648 8.856 1.00 0.00 O ATOM 0 H GLU A 8 -5.780 0.504 7.852 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.348 1.459 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.819 1.757 9.283 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.132 2.227 9.222 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -3.627 3.775 7.348 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.313 3.298 7.395 1.00 0.00 H new ATOM 127 N GLU A 9 -3.211 -0.999 8.834 1.00 0.00 N ATOM 128 CA GLU A 9 -2.325 -2.008 9.407 1.00 0.00 C ATOM 129 C GLU A 9 -1.814 -2.977 8.340 1.00 0.00 C ATOM 130 O GLU A 9 -0.809 -3.657 8.539 1.00 0.00 O ATOM 131 CB GLU A 9 -3.045 -2.778 10.520 1.00 0.00 C ATOM 132 CG GLU A 9 -4.053 -3.800 10.014 1.00 0.00 C ATOM 133 CD GLU A 9 -3.681 -5.222 10.386 1.00 0.00 C ATOM 134 OE1 GLU A 9 -3.046 -5.410 11.446 1.00 0.00 O ATOM 135 OE2 GLU A 9 -4.023 -6.145 9.619 1.00 0.00 O ATOM 0 H GLU A 9 -4.200 -1.139 9.039 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.463 -1.492 9.830 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.303 -3.288 11.134 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -3.558 -2.066 11.167 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.036 -3.567 10.422 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -4.131 -3.721 8.930 1.00 0.00 H new ATOM 142 N LYS A 10 -2.516 -3.038 7.212 1.00 0.00 N ATOM 143 CA LYS A 10 -2.137 -3.929 6.121 1.00 0.00 C ATOM 144 C LYS A 10 -0.896 -3.416 5.395 1.00 0.00 C ATOM 145 O LYS A 10 0.066 -4.157 5.193 1.00 0.00 O ATOM 146 CB LYS A 10 -3.299 -4.073 5.134 1.00 0.00 C ATOM 147 CG LYS A 10 -3.833 -5.493 5.026 1.00 0.00 C ATOM 148 CD LYS A 10 -4.875 -5.611 3.926 1.00 0.00 C ATOM 149 CE LYS A 10 -6.000 -6.553 4.323 1.00 0.00 C ATOM 150 NZ LYS A 10 -6.995 -6.724 3.228 1.00 0.00 N ATOM 0 H LYS A 10 -3.351 -2.481 7.030 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.902 -4.904 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.109 -3.411 5.440 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.971 -3.741 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.010 -6.179 4.825 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.271 -5.792 5.978 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.285 -4.626 3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.402 -5.972 3.013 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.583 -7.524 4.589 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.500 -6.167 5.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.745 -7.373 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -7.412 -5.801 2.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.523 -7.117 2.388 1.00 0.00 H new ATOM 164 N VAL A 11 -0.931 -2.149 4.999 1.00 0.00 N ATOM 165 CA VAL A 11 0.186 -1.535 4.286 1.00 0.00 C ATOM 166 C VAL A 11 1.406 -1.375 5.184 1.00 0.00 C ATOM 167 O VAL A 11 2.537 -1.392 4.711 1.00 0.00 O ATOM 168 CB VAL A 11 -0.200 -0.160 3.708 1.00 0.00 C ATOM 169 CG1 VAL A 11 0.904 0.373 2.805 1.00 0.00 C ATOM 170 CG2 VAL A 11 -1.520 -0.248 2.957 1.00 0.00 C ATOM 0 H VAL A 11 -1.722 -1.525 5.159 1.00 0.00 H new ATOM 0 HA VAL A 11 0.436 -2.208 3.466 1.00 0.00 H new ATOM 0 HB VAL A 11 -0.325 0.538 4.536 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.611 1.345 2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 11 1.825 0.478 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 11 1.068 -0.322 1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.776 0.733 2.556 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.426 -0.962 2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.305 -0.578 3.638 1.00 0.00 H new ATOM 180 N LYS A 12 1.165 -1.214 6.478 1.00 0.00 N ATOM 181 CA LYS A 12 2.246 -1.047 7.447 1.00 0.00 C ATOM 182 C LYS A 12 3.170 -2.260 7.433 1.00 0.00 C ATOM 183 O LYS A 12 4.386 -2.129 7.564 1.00 0.00 O ATOM 184 CB LYS A 12 1.674 -0.833 8.851 1.00 0.00 C ATOM 185 CG LYS A 12 2.036 0.515 9.456 1.00 0.00 C ATOM 186 CD LYS A 12 3.187 0.392 10.442 1.00 0.00 C ATOM 187 CE LYS A 12 2.731 -0.216 11.758 1.00 0.00 C ATOM 188 NZ LYS A 12 3.584 0.222 12.897 1.00 0.00 N ATOM 0 H LYS A 12 0.230 -1.195 6.884 1.00 0.00 H new ATOM 0 HA LYS A 12 2.826 -0.167 7.167 1.00 0.00 H new ATOM 0 HB2 LYS A 12 0.589 -0.924 8.810 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.036 -1.625 9.506 1.00 0.00 H new ATOM 0 HG2 LYS A 12 2.309 1.210 8.662 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.166 0.934 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.974 -0.225 10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.618 1.377 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 12 1.696 0.067 11.950 1.00 0.00 H new ATOM 0 HE3 LYS A 12 2.755 -1.303 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 3.240 -0.214 13.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.567 -0.070 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 3.541 1.257 12.985 1.00 0.00 H new ATOM 202 N ALA A 13 2.585 -3.438 7.248 1.00 0.00 N ATOM 203 CA ALA A 13 3.361 -4.670 7.186 1.00 0.00 C ATOM 204 C ALA A 13 3.954 -4.828 5.792 1.00 0.00 C ATOM 205 O ALA A 13 4.969 -5.497 5.596 1.00 0.00 O ATOM 206 CB ALA A 13 2.491 -5.869 7.537 1.00 0.00 C ATOM 0 H ALA A 13 1.579 -3.565 7.139 1.00 0.00 H new ATOM 0 HA ALA A 13 4.171 -4.618 7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 13 3.088 -6.779 7.485 1.00 0.00 H new ATOM 0 HB2 ALA A 13 2.098 -5.750 8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 13 1.663 -5.937 6.831 1.00 0.00 H new ATOM 212 N LEU A 14 3.301 -4.182 4.834 1.00 0.00 N ATOM 213 CA LEU A 14 3.719 -4.197 3.444 1.00 0.00 C ATOM 214 C LEU A 14 5.070 -3.502 3.275 1.00 0.00 C ATOM 215 O LEU A 14 5.808 -3.776 2.328 1.00 0.00 O ATOM 216 CB LEU A 14 2.650 -3.499 2.602 1.00 0.00 C ATOM 217 CG LEU A 14 2.557 -3.951 1.144 1.00 0.00 C ATOM 218 CD1 LEU A 14 1.118 -4.292 0.790 1.00 0.00 C ATOM 219 CD2 LEU A 14 3.093 -2.875 0.210 1.00 0.00 C ATOM 0 H LEU A 14 2.461 -3.630 5.005 1.00 0.00 H new ATOM 0 HA LEU A 14 3.835 -5.229 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.681 -3.657 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.843 -2.426 2.619 1.00 0.00 H new ATOM 0 HG LEU A 14 3.169 -4.844 1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.065 -4.612 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.765 -5.096 1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.490 -3.412 0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.017 -3.218 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.509 -1.963 0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.137 -2.673 0.449 1.00 0.00 H new ATOM 231 N GLU A 15 5.377 -2.595 4.199 1.00 0.00 N ATOM 232 CA GLU A 15 6.626 -1.845 4.162 1.00 0.00 C ATOM 233 C GLU A 15 7.802 -2.715 4.598 1.00 0.00 C ATOM 234 O GLU A 15 8.857 -2.710 3.964 1.00 0.00 O ATOM 235 CB GLU A 15 6.510 -0.605 5.060 1.00 0.00 C ATOM 236 CG GLU A 15 7.836 0.087 5.338 1.00 0.00 C ATOM 237 CD GLU A 15 7.696 1.247 6.304 1.00 0.00 C ATOM 238 OE1 GLU A 15 6.872 2.147 6.038 1.00 0.00 O ATOM 239 OE2 GLU A 15 8.411 1.256 7.329 1.00 0.00 O ATOM 0 H GLU A 15 4.772 -2.362 4.987 1.00 0.00 H new ATOM 0 HA GLU A 15 6.812 -1.528 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.832 0.108 4.591 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.059 -0.897 6.008 1.00 0.00 H new ATOM 0 HG2 GLU A 15 8.541 -0.637 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 15 8.257 0.449 4.400 1.00 0.00 H new ATOM 246 N GLU A 16 7.614 -3.463 5.680 1.00 0.00 N ATOM 247 CA GLU A 16 8.661 -4.339 6.195 1.00 0.00 C ATOM 248 C GLU A 16 9.195 -5.258 5.097 1.00 0.00 C ATOM 249 O GLU A 16 10.338 -5.710 5.153 1.00 0.00 O ATOM 250 CB GLU A 16 8.131 -5.174 7.360 1.00 0.00 C ATOM 251 CG GLU A 16 7.771 -4.348 8.586 1.00 0.00 C ATOM 252 CD GLU A 16 8.436 -4.858 9.850 1.00 0.00 C ATOM 253 OE1 GLU A 16 9.619 -5.249 9.782 1.00 0.00 O ATOM 254 OE2 GLU A 16 7.772 -4.864 10.908 1.00 0.00 O ATOM 0 H GLU A 16 6.747 -3.481 6.217 1.00 0.00 H new ATOM 0 HA GLU A 16 9.480 -3.712 6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.249 -5.724 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.882 -5.913 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.063 -3.311 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 16 6.689 -4.357 8.720 1.00 0.00 H new ATOM 261 N LYS A 17 8.358 -5.529 4.099 1.00 0.00 N ATOM 262 CA LYS A 17 8.745 -6.392 2.989 1.00 0.00 C ATOM 263 C LYS A 17 9.669 -5.661 2.019 1.00 0.00 C ATOM 264 O LYS A 17 10.762 -6.135 1.713 1.00 0.00 O ATOM 265 CB LYS A 17 7.502 -6.892 2.249 1.00 0.00 C ATOM 266 CG LYS A 17 7.653 -8.294 1.684 1.00 0.00 C ATOM 267 CD LYS A 17 6.864 -8.465 0.393 1.00 0.00 C ATOM 268 CE LYS A 17 5.882 -9.622 0.487 1.00 0.00 C ATOM 269 NZ LYS A 17 5.597 -10.219 -0.846 1.00 0.00 N ATOM 0 H LYS A 17 7.408 -5.163 4.037 1.00 0.00 H new ATOM 0 HA LYS A 17 9.286 -7.245 3.399 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.652 -6.874 2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.273 -6.204 1.435 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.707 -8.500 1.497 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.311 -9.022 2.419 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.323 -7.545 0.172 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.552 -8.637 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.286 -10.388 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.952 -9.273 0.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.924 -11.004 -0.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.187 -9.495 -1.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.481 -10.576 -1.263 1.00 0.00 H new ATOM 283 N VAL A 18 9.221 -4.507 1.535 1.00 0.00 N ATOM 284 CA VAL A 18 10.009 -3.714 0.596 1.00 0.00 C ATOM 285 C VAL A 18 11.288 -3.201 1.244 1.00 0.00 C ATOM 286 O VAL A 18 12.384 -3.402 0.721 1.00 0.00 O ATOM 287 CB VAL A 18 9.215 -2.510 0.055 1.00 0.00 C ATOM 288 CG1 VAL A 18 9.876 -1.957 -1.198 1.00 0.00 C ATOM 289 CG2 VAL A 18 7.769 -2.892 -0.222 1.00 0.00 C ATOM 0 H VAL A 18 8.318 -4.100 1.777 1.00 0.00 H new ATOM 0 HA VAL A 18 10.257 -4.378 -0.232 1.00 0.00 H new ATOM 0 HB VAL A 18 9.216 -1.731 0.817 1.00 0.00 H new ATOM 0 HG11 VAL A 18 9.302 -1.107 -1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.890 -1.635 -0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.910 -2.732 -1.964 1.00 0.00 H new ATOM 0 HG21 VAL A 18 7.230 -2.025 -0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.739 -3.692 -0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 18 7.300 -3.234 0.701 1.00 0.00 H new ATOM 299 N LYS A 19 11.142 -2.533 2.383 1.00 0.00 N ATOM 300 CA LYS A 19 12.286 -1.982 3.102 1.00 0.00 C ATOM 301 C LYS A 19 13.342 -3.055 3.367 1.00 0.00 C ATOM 302 O LYS A 19 14.528 -2.751 3.500 1.00 0.00 O ATOM 303 CB LYS A 19 11.834 -1.359 4.422 1.00 0.00 C ATOM 304 CG LYS A 19 11.195 0.010 4.257 1.00 0.00 C ATOM 305 CD LYS A 19 11.796 1.029 5.211 1.00 0.00 C ATOM 306 CE LYS A 19 13.182 1.462 4.763 1.00 0.00 C ATOM 307 NZ LYS A 19 13.126 2.587 3.789 1.00 0.00 N ATOM 0 H LYS A 19 10.241 -2.360 2.829 1.00 0.00 H new ATOM 0 HA LYS A 19 12.733 -1.210 2.476 1.00 0.00 H new ATOM 0 HB2 LYS A 19 11.122 -2.028 4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.693 -1.273 5.087 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.326 0.351 3.230 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.122 -0.065 4.434 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.144 1.900 5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.853 0.602 6.212 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.767 1.763 5.632 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.698 0.615 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.092 2.852 3.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.590 2.292 2.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.657 3.404 4.229 1.00 0.00 H new ATOM 321 N ALA A 20 12.905 -4.307 3.441 1.00 0.00 N ATOM 322 CA ALA A 20 13.815 -5.421 3.689 1.00 0.00 C ATOM 323 C ALA A 20 14.327 -6.025 2.384 1.00 0.00 C ATOM 324 O ALA A 20 15.251 -6.838 2.387 1.00 0.00 O ATOM 325 CB ALA A 20 13.126 -6.485 4.530 1.00 0.00 C ATOM 0 H ALA A 20 11.927 -4.577 3.333 1.00 0.00 H new ATOM 0 HA ALA A 20 14.675 -5.036 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 20 13.815 -7.311 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.822 -6.054 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 20 12.247 -6.854 4.001 1.00 0.00 H new ATOM 331 N LEU A 21 13.722 -5.625 1.268 1.00 0.00 N ATOM 332 CA LEU A 21 14.109 -6.122 -0.038 1.00 0.00 C ATOM 333 C LEU A 21 15.377 -5.418 -0.529 1.00 0.00 C ATOM 334 O LEU A 21 16.146 -4.887 0.272 1.00 0.00 O ATOM 335 CB LEU A 21 12.952 -5.905 -1.013 1.00 0.00 C ATOM 336 CG LEU A 21 12.474 -7.153 -1.757 1.00 0.00 C ATOM 337 CD1 LEU A 21 11.395 -6.790 -2.763 1.00 0.00 C ATOM 338 CD2 LEU A 21 13.637 -7.851 -2.448 1.00 0.00 C ATOM 0 H LEU A 21 12.956 -4.952 1.249 1.00 0.00 H new ATOM 0 HA LEU A 21 14.330 -7.187 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 21 12.109 -5.487 -0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 21 13.254 -5.159 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 21 12.050 -7.843 -1.028 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.066 -7.689 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.549 -6.342 -2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.795 -6.078 -3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.272 -8.735 -2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 21 14.096 -7.170 -3.165 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.377 -8.148 -1.705 1.00 0.00 H new ATOM 371 N GLY A 25 14.385 -1.403 -9.864 1.00 0.00 N ATOM 372 CA GLY A 25 13.392 -1.378 -10.922 1.00 0.00 C ATOM 373 C GLY A 25 11.973 -1.426 -10.387 1.00 0.00 C ATOM 374 O GLY A 25 11.432 -0.410 -9.952 1.00 0.00 O ATOM 0 HA2 GLY A 25 13.522 -0.474 -11.517 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.555 -2.225 -11.589 1.00 0.00 H new ATOM 378 N ARG A 26 11.371 -2.611 -10.420 1.00 0.00 N ATOM 379 CA ARG A 26 10.006 -2.791 -9.936 1.00 0.00 C ATOM 380 C ARG A 26 9.877 -2.349 -8.479 1.00 0.00 C ATOM 381 O ARG A 26 8.802 -1.946 -8.037 1.00 0.00 O ATOM 382 CB ARG A 26 9.570 -4.254 -10.085 1.00 0.00 C ATOM 383 CG ARG A 26 10.172 -5.188 -9.047 1.00 0.00 C ATOM 384 CD ARG A 26 11.679 -5.300 -9.206 1.00 0.00 C ATOM 385 NE ARG A 26 12.207 -6.513 -8.587 1.00 0.00 N ATOM 386 CZ ARG A 26 13.501 -6.726 -8.361 1.00 0.00 C ATOM 387 NH1 ARG A 26 14.401 -5.812 -8.704 1.00 0.00 N ATOM 388 NH2 ARG A 26 13.896 -7.855 -7.791 1.00 0.00 N ATOM 0 H ARG A 26 11.807 -3.461 -10.777 1.00 0.00 H new ATOM 0 HA ARG A 26 9.351 -2.165 -10.543 1.00 0.00 H new ATOM 0 HB2 ARG A 26 8.483 -4.307 -10.019 1.00 0.00 H new ATOM 0 HB3 ARG A 26 9.847 -4.605 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 26 9.937 -4.823 -8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 26 9.721 -6.176 -9.140 1.00 0.00 H new ATOM 0 HD2 ARG A 26 11.933 -5.294 -10.266 1.00 0.00 H new ATOM 0 HD3 ARG A 26 12.156 -4.428 -8.759 1.00 0.00 H new ATOM 0 HE ARG A 26 11.545 -7.239 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 26 14.102 -4.941 -9.143 1.00 0.00 H new ATOM 0 HH12 ARG A 26 15.392 -5.981 -8.528 1.00 0.00 H new ATOM 0 HH21 ARG A 26 13.208 -8.560 -7.526 1.00 0.00 H new ATOM 0 HH22 ARG A 26 14.888 -8.019 -7.617 1.00 0.00 H new ATOM 402 N ILE A 27 10.977 -2.434 -7.740 1.00 0.00 N ATOM 403 CA ILE A 27 10.987 -2.049 -6.336 1.00 0.00 C ATOM 404 C ILE A 27 10.945 -0.531 -6.177 1.00 0.00 C ATOM 405 O ILE A 27 10.433 -0.017 -5.183 1.00 0.00 O ATOM 406 CB ILE A 27 12.228 -2.602 -5.609 1.00 0.00 C ATOM 407 CG1 ILE A 27 12.332 -4.115 -5.815 1.00 0.00 C ATOM 408 CG2 ILE A 27 12.171 -2.270 -4.125 1.00 0.00 C ATOM 409 CD1 ILE A 27 13.750 -4.638 -5.744 1.00 0.00 C ATOM 0 H ILE A 27 11.875 -2.767 -8.092 1.00 0.00 H new ATOM 0 HA ILE A 27 10.093 -2.479 -5.885 1.00 0.00 H new ATOM 0 HB ILE A 27 13.115 -2.131 -6.031 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.729 -4.619 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 27 11.907 -4.372 -6.785 1.00 0.00 H new ATOM 0 HG21 ILE A 27 13.056 -2.669 -3.629 1.00 0.00 H new ATOM 0 HG22 ILE A 27 12.139 -1.188 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 27 11.278 -2.715 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 27 13.748 -5.717 -5.899 1.00 0.00 H new ATOM 0 HD12 ILE A 27 14.353 -4.162 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 27 14.172 -4.413 -4.765 1.00 0.00 H new ATOM 421 N GLU A 28 11.498 0.180 -7.154 1.00 0.00 N ATOM 422 CA GLU A 28 11.536 1.639 -7.117 1.00 0.00 C ATOM 423 C GLU A 28 10.133 2.240 -7.184 1.00 0.00 C ATOM 424 O GLU A 28 9.742 3.014 -6.312 1.00 0.00 O ATOM 425 CB GLU A 28 12.383 2.174 -8.272 1.00 0.00 C ATOM 426 CG GLU A 28 12.822 3.617 -8.088 1.00 0.00 C ATOM 427 CD GLU A 28 13.527 3.848 -6.765 1.00 0.00 C ATOM 428 OE1 GLU A 28 14.742 3.575 -6.685 1.00 0.00 O ATOM 429 OE2 GLU A 28 12.861 4.299 -5.809 1.00 0.00 O ATOM 0 H GLU A 28 11.927 -0.231 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 28 11.985 1.934 -6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 28 13.267 1.546 -8.385 1.00 0.00 H new ATOM 0 HB3 GLU A 28 11.813 2.092 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.488 3.897 -8.904 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.950 4.269 -8.150 1.00 0.00 H new ATOM 436 N GLU A 29 9.383 1.890 -8.224 1.00 0.00 N ATOM 437 CA GLU A 29 8.028 2.409 -8.403 1.00 0.00 C ATOM 438 C GLU A 29 7.122 2.000 -7.243 1.00 0.00 C ATOM 439 O GLU A 29 6.236 2.754 -6.840 1.00 0.00 O ATOM 440 CB GLU A 29 7.438 1.909 -9.727 1.00 0.00 C ATOM 441 CG GLU A 29 5.972 2.270 -9.925 1.00 0.00 C ATOM 442 CD GLU A 29 5.756 3.762 -10.092 1.00 0.00 C ATOM 443 OE1 GLU A 29 5.837 4.248 -11.239 1.00 0.00 O ATOM 444 OE2 GLU A 29 5.506 4.442 -9.075 1.00 0.00 O ATOM 0 H GLU A 29 9.689 1.249 -8.956 1.00 0.00 H new ATOM 0 HA GLU A 29 8.087 3.497 -8.424 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.018 2.323 -10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.545 0.825 -9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.589 1.751 -10.804 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.396 1.917 -9.070 1.00 0.00 H new ATOM 451 N LEU A 30 7.343 0.802 -6.720 1.00 0.00 N ATOM 452 CA LEU A 30 6.543 0.287 -5.616 1.00 0.00 C ATOM 453 C LEU A 30 6.828 1.036 -4.316 1.00 0.00 C ATOM 454 O LEU A 30 6.015 1.019 -3.395 1.00 0.00 O ATOM 455 CB LEU A 30 6.802 -1.208 -5.427 1.00 0.00 C ATOM 456 CG LEU A 30 6.284 -2.103 -6.555 1.00 0.00 C ATOM 457 CD1 LEU A 30 6.751 -3.537 -6.358 1.00 0.00 C ATOM 458 CD2 LEU A 30 4.766 -2.041 -6.631 1.00 0.00 C ATOM 0 H LEU A 30 8.072 0.166 -7.043 1.00 0.00 H new ATOM 0 HA LEU A 30 5.494 0.442 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.876 -1.365 -5.323 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.342 -1.526 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 30 6.691 -1.737 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.372 -4.158 -7.170 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.841 -3.568 -6.355 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.375 -3.915 -5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.416 -2.684 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.340 -2.380 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.453 -1.015 -6.822 1.00 0.00 H new ATOM 470 N LYS A 31 7.988 1.680 -4.241 1.00 0.00 N ATOM 471 CA LYS A 31 8.376 2.422 -3.045 1.00 0.00 C ATOM 472 C LYS A 31 7.645 3.759 -2.952 1.00 0.00 C ATOM 473 O LYS A 31 6.942 4.020 -1.983 1.00 0.00 O ATOM 474 CB LYS A 31 9.887 2.654 -3.038 1.00 0.00 C ATOM 475 CG LYS A 31 10.387 3.362 -1.790 1.00 0.00 C ATOM 476 CD LYS A 31 11.673 2.738 -1.272 1.00 0.00 C ATOM 477 CE LYS A 31 12.479 3.726 -0.445 1.00 0.00 C ATOM 478 NZ LYS A 31 13.945 3.539 -0.631 1.00 0.00 N ATOM 0 H LYS A 31 8.676 1.704 -4.994 1.00 0.00 H new ATOM 0 HA LYS A 31 8.095 1.824 -2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.394 1.693 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.160 3.243 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 31 10.556 4.416 -2.012 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.622 3.318 -1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.436 1.863 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 31 12.274 2.390 -2.112 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.204 4.743 -0.725 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.228 3.607 0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.460 4.232 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.212 2.577 -0.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.188 3.678 -1.633 1.00 0.00 H new ATOM 492 N LYS A 32 7.826 4.604 -3.960 1.00 0.00 N ATOM 493 CA LYS A 32 7.191 5.922 -3.987 1.00 0.00 C ATOM 494 C LYS A 32 5.679 5.822 -3.784 1.00 0.00 C ATOM 495 O LYS A 32 5.072 6.677 -3.139 1.00 0.00 O ATOM 496 CB LYS A 32 7.487 6.618 -5.317 1.00 0.00 C ATOM 497 CG LYS A 32 7.679 8.121 -5.188 1.00 0.00 C ATOM 498 CD LYS A 32 7.172 8.857 -6.418 1.00 0.00 C ATOM 499 CE LYS A 32 8.315 9.284 -7.324 1.00 0.00 C ATOM 500 NZ LYS A 32 7.885 9.398 -8.745 1.00 0.00 N ATOM 0 H LYS A 32 8.408 4.402 -4.773 1.00 0.00 H new ATOM 0 HA LYS A 32 7.605 6.507 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.385 6.182 -5.754 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.668 6.423 -6.010 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.152 8.481 -4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.736 8.342 -5.041 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.489 8.214 -6.972 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.604 9.735 -6.109 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.708 10.243 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.128 8.562 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.693 9.691 -9.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.534 8.477 -9.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.127 10.106 -8.823 1.00 0.00 H new ATOM 514 N LYS A 33 5.081 4.781 -4.347 1.00 0.00 N ATOM 515 CA LYS A 33 3.640 4.567 -4.244 1.00 0.00 C ATOM 516 C LYS A 33 3.250 3.981 -2.887 1.00 0.00 C ATOM 517 O LYS A 33 2.111 4.123 -2.448 1.00 0.00 O ATOM 518 CB LYS A 33 3.161 3.646 -5.367 1.00 0.00 C ATOM 519 CG LYS A 33 1.951 4.178 -6.116 1.00 0.00 C ATOM 520 CD LYS A 33 0.797 4.472 -5.172 1.00 0.00 C ATOM 521 CE LYS A 33 0.169 3.193 -4.643 1.00 0.00 C ATOM 522 NZ LYS A 33 -0.898 2.683 -5.549 1.00 0.00 N ATOM 0 H LYS A 33 5.573 4.066 -4.883 1.00 0.00 H new ATOM 0 HA LYS A 33 3.155 5.539 -4.340 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.977 3.494 -6.073 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.917 2.670 -4.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 2.224 5.087 -6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.635 3.450 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.153 5.076 -4.337 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.042 5.061 -5.692 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.940 2.432 -4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.251 3.377 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.415 1.913 -5.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.558 3.454 -5.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -0.467 2.325 -6.425 1.00 0.00 H new ATOM 536 N CYS A 34 4.190 3.298 -2.244 1.00 0.00 N ATOM 537 CA CYS A 34 3.939 2.662 -0.951 1.00 0.00 C ATOM 538 C CYS A 34 3.644 3.680 0.151 1.00 0.00 C ATOM 539 O CYS A 34 2.601 3.621 0.802 1.00 0.00 O ATOM 540 CB CYS A 34 5.160 1.833 -0.549 1.00 0.00 C ATOM 541 SG CYS A 34 4.779 0.114 -0.083 1.00 0.00 S ATOM 0 H CYS A 34 5.138 3.169 -2.597 1.00 0.00 H new ATOM 0 HA CYS A 34 3.059 2.029 -1.064 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.867 1.824 -1.378 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.657 2.322 0.289 1.00 0.00 H new ATOM 0 HG CYS A 34 5.878 -0.502 0.238 1.00 0.00 H new ATOM 546 N GLU A 35 4.583 4.592 0.373 1.00 0.00 N ATOM 547 CA GLU A 35 4.447 5.604 1.417 1.00 0.00 C ATOM 548 C GLU A 35 3.313 6.583 1.123 1.00 0.00 C ATOM 549 O GLU A 35 2.578 6.974 2.025 1.00 0.00 O ATOM 550 CB GLU A 35 5.759 6.367 1.590 1.00 0.00 C ATOM 551 CG GLU A 35 6.314 6.916 0.291 1.00 0.00 C ATOM 552 CD GLU A 35 6.540 8.415 0.336 1.00 0.00 C ATOM 553 OE1 GLU A 35 7.128 8.896 1.327 1.00 0.00 O ATOM 554 OE2 GLU A 35 6.128 9.107 -0.619 1.00 0.00 O ATOM 0 H GLU A 35 5.452 4.652 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 35 4.203 5.082 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.602 7.191 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.498 5.705 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.257 6.418 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.626 6.681 -0.521 1.00 0.00 H new ATOM 561 N GLU A 36 3.181 6.981 -0.133 1.00 0.00 N ATOM 562 CA GLU A 36 2.137 7.919 -0.529 1.00 0.00 C ATOM 563 C GLU A 36 0.749 7.337 -0.271 1.00 0.00 C ATOM 564 O GLU A 36 -0.215 8.071 -0.052 1.00 0.00 O ATOM 565 CB GLU A 36 2.283 8.285 -2.006 1.00 0.00 C ATOM 566 CG GLU A 36 1.968 9.741 -2.306 1.00 0.00 C ATOM 567 CD GLU A 36 3.146 10.659 -2.044 1.00 0.00 C ATOM 568 OE1 GLU A 36 4.285 10.274 -2.382 1.00 0.00 O ATOM 569 OE2 GLU A 36 2.928 11.762 -1.500 1.00 0.00 O ATOM 0 H GLU A 36 3.782 6.671 -0.896 1.00 0.00 H new ATOM 0 HA GLU A 36 2.249 8.820 0.074 1.00 0.00 H new ATOM 0 HB2 GLU A 36 3.302 8.069 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.622 7.650 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 36 1.663 9.836 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.122 10.059 -1.697 1.00 0.00 H new ATOM 576 N LEU A 37 0.658 6.014 -0.317 1.00 0.00 N ATOM 577 CA LEU A 37 -0.606 5.315 -0.110 1.00 0.00 C ATOM 578 C LEU A 37 -1.069 5.404 1.345 1.00 0.00 C ATOM 579 O LEU A 37 -2.188 5.836 1.623 1.00 0.00 O ATOM 580 CB LEU A 37 -0.455 3.847 -0.529 1.00 0.00 C ATOM 581 CG LEU A 37 -1.756 3.067 -0.788 1.00 0.00 C ATOM 582 CD1 LEU A 37 -1.781 1.784 0.028 1.00 0.00 C ATOM 583 CD2 LEU A 37 -2.992 3.906 -0.484 1.00 0.00 C ATOM 0 H LEU A 37 1.451 5.398 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.366 5.797 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.149 3.812 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.105 3.327 0.248 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.777 2.817 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.708 1.246 -0.168 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.933 1.159 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.720 2.026 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.888 3.318 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.978 4.208 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.994 4.793 -1.117 1.00 0.00 H new ATOM 595 N LYS A 38 -0.209 4.985 2.269 1.00 0.00 N ATOM 596 CA LYS A 38 -0.538 5.008 3.693 1.00 0.00 C ATOM 597 C LYS A 38 -1.057 6.377 4.128 1.00 0.00 C ATOM 598 O LYS A 38 -2.168 6.495 4.644 1.00 0.00 O ATOM 599 CB LYS A 38 0.691 4.627 4.524 1.00 0.00 C ATOM 600 CG LYS A 38 0.425 3.521 5.531 1.00 0.00 C ATOM 601 CD LYS A 38 1.570 3.382 6.522 1.00 0.00 C ATOM 602 CE LYS A 38 2.608 2.383 6.036 1.00 0.00 C ATOM 603 NZ LYS A 38 3.753 3.053 5.360 1.00 0.00 N ATOM 0 H LYS A 38 0.722 4.625 2.058 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.331 4.279 3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.490 4.311 3.853 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.050 5.510 5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.499 3.732 6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.280 2.577 5.006 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.041 4.353 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.180 3.062 7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.976 1.802 6.882 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.140 1.681 5.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.591 2.439 5.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.511 3.233 4.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.957 3.955 5.835 1.00 0.00 H new ATOM 617 N LYS A 39 -0.243 7.405 3.920 1.00 0.00 N ATOM 618 CA LYS A 39 -0.609 8.769 4.292 1.00 0.00 C ATOM 619 C LYS A 39 -1.983 9.147 3.743 1.00 0.00 C ATOM 620 O LYS A 39 -2.682 9.981 4.318 1.00 0.00 O ATOM 621 CB LYS A 39 0.444 9.757 3.783 1.00 0.00 C ATOM 622 CG LYS A 39 0.521 9.838 2.268 1.00 0.00 C ATOM 623 CD LYS A 39 1.702 10.681 1.814 1.00 0.00 C ATOM 624 CE LYS A 39 1.617 12.100 2.354 1.00 0.00 C ATOM 625 NZ LYS A 39 2.566 12.324 3.478 1.00 0.00 N ATOM 0 H LYS A 39 0.680 7.320 3.494 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.653 8.816 5.380 1.00 0.00 H new ATOM 0 HB2 LYS A 39 0.223 10.748 4.181 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.420 9.468 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.609 8.834 1.853 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.403 10.265 1.878 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.630 10.218 2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.734 10.707 0.725 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.831 12.807 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.600 12.299 2.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.477 13.303 3.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.347 11.667 4.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.539 12.159 3.149 1.00 0.00 H new ATOM 639 N LYS A 40 -2.364 8.531 2.628 1.00 0.00 N ATOM 640 CA LYS A 40 -3.653 8.810 2.007 1.00 0.00 C ATOM 641 C LYS A 40 -4.796 8.241 2.841 1.00 0.00 C ATOM 642 O LYS A 40 -5.909 8.765 2.824 1.00 0.00 O ATOM 643 CB LYS A 40 -3.700 8.232 0.592 1.00 0.00 C ATOM 644 CG LYS A 40 -4.807 8.820 -0.269 1.00 0.00 C ATOM 645 CD LYS A 40 -4.596 8.502 -1.741 1.00 0.00 C ATOM 646 CE LYS A 40 -4.971 7.064 -2.061 1.00 0.00 C ATOM 647 NZ LYS A 40 -5.916 6.979 -3.209 1.00 0.00 N ATOM 0 H LYS A 40 -1.800 7.837 2.138 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.772 9.892 1.952 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.741 8.407 0.105 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.834 7.152 0.654 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -5.770 8.426 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.842 9.901 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -5.195 9.179 -2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.553 8.674 -2.005 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -4.069 6.496 -2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.424 6.603 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.187 5.987 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -6.766 7.542 -3.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.456 7.349 -4.065 1.00 0.00 H new ATOM 661 N ILE A 41 -4.516 7.168 3.574 1.00 0.00 N ATOM 662 CA ILE A 41 -5.525 6.538 4.416 1.00 0.00 C ATOM 663 C ILE A 41 -5.775 7.370 5.669 1.00 0.00 C ATOM 664 O ILE A 41 -6.888 7.398 6.195 1.00 0.00 O ATOM 665 CB ILE A 41 -5.112 5.112 4.832 1.00 0.00 C ATOM 666 CG1 ILE A 41 -4.519 4.357 3.639 1.00 0.00 C ATOM 667 CG2 ILE A 41 -6.307 4.361 5.402 1.00 0.00 C ATOM 668 CD1 ILE A 41 -4.180 2.912 3.939 1.00 0.00 C ATOM 0 H ILE A 41 -3.601 6.718 3.602 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.439 6.477 3.826 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.348 5.183 5.606 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.227 4.390 2.811 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.617 4.871 3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.001 3.356 5.691 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.686 4.891 6.276 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.091 4.298 4.647 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.765 2.443 3.047 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.448 2.870 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.083 2.382 4.241 1.00 0.00 H new ATOM 680 N GLU A 42 -4.735 8.055 6.134 1.00 0.00 N ATOM 681 CA GLU A 42 -4.844 8.897 7.317 1.00 0.00 C ATOM 682 C GLU A 42 -5.718 10.110 7.023 1.00 0.00 C ATOM 683 O GLU A 42 -6.456 10.584 7.888 1.00 0.00 O ATOM 684 CB GLU A 42 -3.458 9.352 7.779 1.00 0.00 C ATOM 685 CG GLU A 42 -2.650 8.252 8.447 1.00 0.00 C ATOM 686 CD GLU A 42 -1.262 8.712 8.849 1.00 0.00 C ATOM 687 OE1 GLU A 42 -1.161 9.641 9.677 1.00 0.00 O ATOM 688 OE2 GLU A 42 -0.276 8.141 8.337 1.00 0.00 O ATOM 0 H GLU A 42 -3.808 8.043 5.709 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.305 8.313 8.114 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.903 9.729 6.920 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.571 10.183 8.475 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.183 7.900 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.565 7.404 7.767 1.00 0.00 H new ATOM 695 N GLU A 43 -5.636 10.603 5.790 1.00 0.00 N ATOM 696 CA GLU A 43 -6.424 11.754 5.373 1.00 0.00 C ATOM 697 C GLU A 43 -7.890 11.366 5.211 1.00 0.00 C ATOM 698 O GLU A 43 -8.789 12.185 5.401 1.00 0.00 O ATOM 699 CB GLU A 43 -5.873 12.330 4.062 1.00 0.00 C ATOM 700 CG GLU A 43 -6.158 11.481 2.830 1.00 0.00 C ATOM 701 CD GLU A 43 -6.512 12.318 1.616 1.00 0.00 C ATOM 702 OE1 GLU A 43 -7.563 12.994 1.647 1.00 0.00 O ATOM 703 OE2 GLU A 43 -5.740 12.299 0.635 1.00 0.00 O ATOM 0 H GLU A 43 -5.031 10.221 5.063 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.354 12.520 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.297 13.323 3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.795 12.455 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -5.284 10.870 2.604 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.978 10.796 3.047 1.00 0.00 H new ATOM 710 N LEU A 44 -8.118 10.106 4.857 1.00 0.00 N ATOM 711 CA LEU A 44 -9.466 9.588 4.664 1.00 0.00 C ATOM 712 C LEU A 44 -10.304 9.764 5.927 1.00 0.00 C ATOM 713 O LEU A 44 -9.856 10.365 6.903 1.00 0.00 O ATOM 714 CB LEU A 44 -9.407 8.107 4.274 1.00 0.00 C ATOM 715 CG LEU A 44 -9.578 7.822 2.782 1.00 0.00 C ATOM 716 CD1 LEU A 44 -9.306 6.355 2.485 1.00 0.00 C ATOM 717 CD2 LEU A 44 -10.976 8.210 2.324 1.00 0.00 C ATOM 0 H LEU A 44 -7.380 9.420 4.697 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.938 10.152 3.860 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.449 7.700 4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -10.183 7.572 4.822 1.00 0.00 H new ATOM 0 HG LEU A 44 -8.856 8.423 2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.432 6.170 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -8.286 6.108 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.005 5.735 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.081 8.001 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.715 7.634 2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.135 9.273 2.502 1.00 0.00 H new ATOM 757 N GLU A 49 -15.456 7.377 -0.604 1.00 0.00 N ATOM 758 CA GLU A 49 -14.205 7.511 -1.340 1.00 0.00 C ATOM 759 C GLU A 49 -13.164 6.516 -0.834 1.00 0.00 C ATOM 760 O GLU A 49 -12.228 6.163 -1.551 1.00 0.00 O ATOM 761 CB GLU A 49 -13.666 8.938 -1.219 1.00 0.00 C ATOM 762 CG GLU A 49 -12.396 9.180 -2.016 1.00 0.00 C ATOM 763 CD GLU A 49 -12.620 10.079 -3.215 1.00 0.00 C ATOM 764 OE1 GLU A 49 -13.574 9.823 -3.980 1.00 0.00 O ATOM 765 OE2 GLU A 49 -11.841 11.040 -3.391 1.00 0.00 O ATOM 0 HA GLU A 49 -14.407 7.295 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -14.433 9.636 -1.554 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -13.473 9.156 -0.169 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.644 9.628 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.996 8.224 -2.354 1.00 0.00 H new ATOM 772 N VAL A 50 -13.334 6.067 0.407 1.00 0.00 N ATOM 773 CA VAL A 50 -12.410 5.114 1.013 1.00 0.00 C ATOM 774 C VAL A 50 -12.212 3.890 0.123 1.00 0.00 C ATOM 775 O VAL A 50 -11.146 3.275 0.125 1.00 0.00 O ATOM 776 CB VAL A 50 -12.910 4.658 2.397 1.00 0.00 C ATOM 777 CG1 VAL A 50 -14.237 3.922 2.276 1.00 0.00 C ATOM 778 CG2 VAL A 50 -11.868 3.785 3.082 1.00 0.00 C ATOM 0 H VAL A 50 -14.105 6.349 1.013 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.455 5.627 1.128 1.00 0.00 H new ATOM 0 HB VAL A 50 -13.070 5.544 3.012 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -14.571 3.609 3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.981 4.584 1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -14.110 3.045 1.642 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -12.240 3.473 4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -11.672 2.905 2.470 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -10.945 4.351 3.209 1.00 0.00 H new ATOM 788 N LYS A 51 -13.246 3.542 -0.633 1.00 0.00 N ATOM 789 CA LYS A 51 -13.188 2.391 -1.528 1.00 0.00 C ATOM 790 C LYS A 51 -12.088 2.561 -2.573 1.00 0.00 C ATOM 791 O LYS A 51 -11.544 1.580 -3.080 1.00 0.00 O ATOM 792 CB LYS A 51 -14.536 2.187 -2.219 1.00 0.00 C ATOM 793 CG LYS A 51 -14.928 3.331 -3.139 1.00 0.00 C ATOM 794 CD LYS A 51 -16.155 2.987 -3.967 1.00 0.00 C ATOM 795 CE LYS A 51 -16.769 4.227 -4.598 1.00 0.00 C ATOM 796 NZ LYS A 51 -17.206 3.977 -6.000 1.00 0.00 N ATOM 0 H LYS A 51 -14.136 4.040 -0.645 1.00 0.00 H new ATOM 0 HA LYS A 51 -12.957 1.511 -0.928 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.503 1.263 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.308 2.061 -1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -15.127 4.224 -2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -14.096 3.567 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -15.881 2.278 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -16.895 2.495 -3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.623 4.552 -4.004 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -16.043 5.040 -4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -17.619 4.846 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -16.387 3.691 -6.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -17.918 3.219 -6.012 1.00 0.00 H new ATOM 810 N LYS A 52 -11.767 3.812 -2.894 1.00 0.00 N ATOM 811 CA LYS A 52 -10.734 4.105 -3.881 1.00 0.00 C ATOM 812 C LYS A 52 -9.352 3.716 -3.361 1.00 0.00 C ATOM 813 O LYS A 52 -8.646 2.920 -3.980 1.00 0.00 O ATOM 814 CB LYS A 52 -10.760 5.594 -4.242 1.00 0.00 C ATOM 815 CG LYS A 52 -9.591 6.036 -5.107 1.00 0.00 C ATOM 816 CD LYS A 52 -9.846 7.396 -5.738 1.00 0.00 C ATOM 817 CE LYS A 52 -8.807 7.722 -6.798 1.00 0.00 C ATOM 818 NZ LYS A 52 -9.223 8.870 -7.650 1.00 0.00 N ATOM 0 H LYS A 52 -12.207 4.637 -2.485 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.939 3.515 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -11.691 5.815 -4.765 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.763 6.181 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.685 6.079 -4.502 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.417 5.298 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.840 7.410 -6.185 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.833 8.165 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.857 7.953 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.641 6.846 -7.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.487 9.060 -8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.116 8.640 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.357 9.713 -7.056 1.00 0.00 H new ATOM 832 N VAL A 53 -8.972 4.281 -2.219 1.00 0.00 N ATOM 833 CA VAL A 53 -7.675 3.992 -1.615 1.00 0.00 C ATOM 834 C VAL A 53 -7.471 2.491 -1.437 1.00 0.00 C ATOM 835 O VAL A 53 -6.339 2.008 -1.411 1.00 0.00 O ATOM 836 CB VAL A 53 -7.525 4.687 -0.249 1.00 0.00 C ATOM 837 CG1 VAL A 53 -6.110 4.520 0.285 1.00 0.00 C ATOM 838 CG2 VAL A 53 -7.890 6.159 -0.357 1.00 0.00 C ATOM 0 H VAL A 53 -9.544 4.942 -1.693 1.00 0.00 H new ATOM 0 HA VAL A 53 -6.916 4.378 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 53 -8.211 4.215 0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -6.024 5.018 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.888 3.459 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.402 4.963 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.778 6.634 0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -7.231 6.646 -1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.923 6.254 -0.691 1.00 0.00 H new ATOM 848 N GLU A 54 -8.573 1.755 -1.318 1.00 0.00 N ATOM 849 CA GLU A 54 -8.509 0.309 -1.150 1.00 0.00 C ATOM 850 C GLU A 54 -7.925 -0.348 -2.397 1.00 0.00 C ATOM 851 O GLU A 54 -7.241 -1.368 -2.312 1.00 0.00 O ATOM 852 CB GLU A 54 -9.901 -0.257 -0.863 1.00 0.00 C ATOM 853 CG GLU A 54 -10.552 0.331 0.378 1.00 0.00 C ATOM 854 CD GLU A 54 -11.196 -0.724 1.256 1.00 0.00 C ATOM 855 OE1 GLU A 54 -11.450 -1.839 0.756 1.00 0.00 O ATOM 856 OE2 GLU A 54 -11.445 -0.435 2.446 1.00 0.00 O ATOM 0 H GLU A 54 -9.519 2.137 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.859 0.091 -0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.544 -0.071 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.828 -1.338 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.802 0.870 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.306 1.058 0.078 1.00 0.00 H new ATOM 863 N GLU A 55 -8.197 0.251 -3.552 1.00 0.00 N ATOM 864 CA GLU A 55 -7.697 -0.265 -4.820 1.00 0.00 C ATOM 865 C GLU A 55 -6.226 0.094 -5.006 1.00 0.00 C ATOM 866 O GLU A 55 -5.483 -0.617 -5.682 1.00 0.00 O ATOM 867 CB GLU A 55 -8.524 0.288 -5.982 1.00 0.00 C ATOM 868 CG GLU A 55 -8.058 -0.197 -7.347 1.00 0.00 C ATOM 869 CD GLU A 55 -7.279 0.860 -8.106 1.00 0.00 C ATOM 870 OE1 GLU A 55 -7.870 1.909 -8.438 1.00 0.00 O ATOM 871 OE2 GLU A 55 -6.078 0.638 -8.367 1.00 0.00 O ATOM 0 H GLU A 55 -8.762 1.096 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.789 -1.351 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.567 0.005 -5.842 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.484 1.377 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.434 -1.082 -7.221 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.924 -0.499 -7.937 1.00 0.00 H new ATOM 878 N GLU A 56 -5.812 1.202 -4.397 1.00 0.00 N ATOM 879 CA GLU A 56 -4.431 1.657 -4.490 1.00 0.00 C ATOM 880 C GLU A 56 -3.502 0.706 -3.743 1.00 0.00 C ATOM 881 O GLU A 56 -2.330 0.560 -4.093 1.00 0.00 O ATOM 882 CB GLU A 56 -4.304 3.071 -3.920 1.00 0.00 C ATOM 883 CG GLU A 56 -4.649 4.161 -4.922 1.00 0.00 C ATOM 884 CD GLU A 56 -3.719 5.356 -4.832 1.00 0.00 C ATOM 885 OE1 GLU A 56 -2.917 5.415 -3.875 1.00 0.00 O ATOM 886 OE2 GLU A 56 -3.793 6.233 -5.718 1.00 0.00 O ATOM 0 H GLU A 56 -6.415 1.801 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.141 1.670 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.958 3.165 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.284 3.222 -3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.607 3.748 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -5.674 4.491 -4.755 1.00 0.00 H new ATOM 893 N VAL A 57 -4.038 0.060 -2.714 1.00 0.00 N ATOM 894 CA VAL A 57 -3.269 -0.883 -1.909 1.00 0.00 C ATOM 895 C VAL A 57 -3.232 -2.256 -2.568 1.00 0.00 C ATOM 896 O VAL A 57 -2.316 -3.042 -2.336 1.00 0.00 O ATOM 897 CB VAL A 57 -3.855 -1.031 -0.490 1.00 0.00 C ATOM 898 CG1 VAL A 57 -2.809 -1.587 0.462 1.00 0.00 C ATOM 899 CG2 VAL A 57 -4.398 0.300 0.019 1.00 0.00 C ATOM 0 H VAL A 57 -5.007 0.173 -2.416 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.258 -0.481 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.686 -1.735 -0.537 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.239 -1.685 1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.481 -2.565 0.111 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.955 -0.910 0.500 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.805 0.167 1.021 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.593 1.034 0.049 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.185 0.651 -0.649 1.00 0.00 H new ATOM 909 N LYS A 58 -4.243 -2.541 -3.382 1.00 0.00 N ATOM 910 CA LYS A 58 -4.342 -3.821 -4.074 1.00 0.00 C ATOM 911 C LYS A 58 -3.342 -3.915 -5.224 1.00 0.00 C ATOM 912 O LYS A 58 -2.920 -5.005 -5.600 1.00 0.00 O ATOM 913 CB LYS A 58 -5.763 -4.027 -4.602 1.00 0.00 C ATOM 914 CG LYS A 58 -6.542 -5.096 -3.852 1.00 0.00 C ATOM 915 CD LYS A 58 -6.952 -6.237 -4.770 1.00 0.00 C ATOM 916 CE LYS A 58 -7.726 -7.307 -4.017 1.00 0.00 C ATOM 917 NZ LYS A 58 -8.699 -8.011 -4.896 1.00 0.00 N ATOM 0 H LYS A 58 -5.010 -1.898 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.105 -4.606 -3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -6.305 -3.083 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.714 -4.298 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.933 -5.485 -3.036 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.431 -4.652 -3.403 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.564 -5.849 -5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.064 -6.679 -5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.028 -8.031 -3.595 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.256 -6.851 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.206 -8.732 -4.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -9.381 -7.325 -5.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.191 -8.468 -5.680 1.00 0.00 H new ATOM 931 N LYS A 59 -2.986 -2.769 -5.799 1.00 0.00 N ATOM 932 CA LYS A 59 -2.054 -2.735 -6.922 1.00 0.00 C ATOM 933 C LYS A 59 -0.611 -2.968 -6.475 1.00 0.00 C ATOM 934 O LYS A 59 0.135 -3.698 -7.127 1.00 0.00 O ATOM 935 CB LYS A 59 -2.156 -1.393 -7.655 1.00 0.00 C ATOM 936 CG LYS A 59 -1.163 -1.244 -8.802 1.00 0.00 C ATOM 937 CD LYS A 59 -0.282 -0.016 -8.628 1.00 0.00 C ATOM 938 CE LYS A 59 -0.963 1.237 -9.155 1.00 0.00 C ATOM 939 NZ LYS A 59 -0.013 2.376 -9.281 1.00 0.00 N ATOM 0 H LYS A 59 -3.328 -1.854 -5.506 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.331 -3.545 -7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.167 -1.278 -8.045 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.996 -0.586 -6.940 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.538 -2.135 -8.860 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.705 -1.173 -9.745 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.043 0.115 -7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.662 -0.167 -9.152 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.408 1.026 -10.128 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.777 1.516 -8.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.544 3.270 -9.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.632 2.382 -8.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.538 2.273 -10.157 1.00 0.00 H new ATOM 953 N LEU A 60 -0.213 -2.333 -5.377 1.00 0.00 N ATOM 954 CA LEU A 60 1.153 -2.471 -4.878 1.00 0.00 C ATOM 955 C LEU A 60 1.382 -3.819 -4.205 1.00 0.00 C ATOM 956 O LEU A 60 2.511 -4.295 -4.133 1.00 0.00 O ATOM 957 CB LEU A 60 1.487 -1.350 -3.898 1.00 0.00 C ATOM 958 CG LEU A 60 2.981 -1.033 -3.796 1.00 0.00 C ATOM 959 CD1 LEU A 60 3.234 0.456 -3.959 1.00 0.00 C ATOM 960 CD2 LEU A 60 3.547 -1.536 -2.476 1.00 0.00 C ATOM 0 H LEU A 60 -0.810 -1.723 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 60 1.813 -2.406 -5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.955 -0.448 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.116 -1.623 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 60 3.493 -1.551 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.303 0.654 -3.882 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.874 0.782 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.707 1.002 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.610 -1.301 -2.423 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.027 -1.052 -1.649 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.410 -2.615 -2.409 1.00 0.00 H new ATOM 972 N GLU A 61 0.316 -4.423 -3.705 1.00 0.00 N ATOM 973 CA GLU A 61 0.419 -5.713 -3.036 1.00 0.00 C ATOM 974 C GLU A 61 0.714 -6.822 -4.041 1.00 0.00 C ATOM 975 O GLU A 61 1.679 -7.572 -3.893 1.00 0.00 O ATOM 976 CB GLU A 61 -0.877 -6.015 -2.284 1.00 0.00 C ATOM 977 CG GLU A 61 -0.656 -6.588 -0.895 1.00 0.00 C ATOM 978 CD GLU A 61 -1.742 -7.562 -0.485 1.00 0.00 C ATOM 979 OE1 GLU A 61 -2.085 -8.447 -1.297 1.00 0.00 O ATOM 980 OE2 GLU A 61 -2.253 -7.438 0.648 1.00 0.00 O ATOM 0 H GLU A 61 -0.630 -4.043 -3.749 1.00 0.00 H new ATOM 0 HA GLU A 61 1.243 -5.669 -2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.461 -5.098 -2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.470 -6.719 -2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.310 -7.093 -0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.613 -5.773 -0.173 1.00 0.00 H new ATOM 987 N GLU A 62 -0.125 -6.914 -5.067 1.00 0.00 N ATOM 988 CA GLU A 62 0.034 -7.922 -6.108 1.00 0.00 C ATOM 989 C GLU A 62 1.346 -7.730 -6.863 1.00 0.00 C ATOM 990 O GLU A 62 1.906 -8.683 -7.407 1.00 0.00 O ATOM 991 CB GLU A 62 -1.143 -7.851 -7.082 1.00 0.00 C ATOM 992 CG GLU A 62 -1.598 -9.208 -7.588 1.00 0.00 C ATOM 993 CD GLU A 62 -2.473 -9.110 -8.821 1.00 0.00 C ATOM 994 OE1 GLU A 62 -2.283 -8.159 -9.609 1.00 0.00 O ATOM 995 OE2 GLU A 62 -3.348 -9.983 -9.000 1.00 0.00 O ATOM 0 H GLU A 62 -0.927 -6.298 -5.200 1.00 0.00 H new ATOM 0 HA GLU A 62 0.055 -8.903 -5.634 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.981 -7.357 -6.590 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.862 -7.231 -7.933 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.724 -9.818 -7.816 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.147 -9.720 -6.798 1.00 0.00 H new ATOM 1002 N GLU A 63 1.829 -6.493 -6.897 1.00 0.00 N ATOM 1003 CA GLU A 63 3.072 -6.173 -7.590 1.00 0.00 C ATOM 1004 C GLU A 63 4.256 -6.903 -6.962 1.00 0.00 C ATOM 1005 O GLU A 63 4.945 -7.676 -7.626 1.00 0.00 O ATOM 1006 CB GLU A 63 3.309 -4.660 -7.568 1.00 0.00 C ATOM 1007 CG GLU A 63 3.471 -4.050 -8.951 1.00 0.00 C ATOM 1008 CD GLU A 63 4.921 -3.979 -9.390 1.00 0.00 C ATOM 1009 OE1 GLU A 63 5.659 -4.961 -9.164 1.00 0.00 O ATOM 1010 OE2 GLU A 63 5.317 -2.943 -9.963 1.00 0.00 O ATOM 0 H GLU A 63 1.378 -5.694 -6.452 1.00 0.00 H new ATOM 0 HA GLU A 63 2.982 -6.506 -8.624 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.473 -4.177 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.202 -4.449 -6.980 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.905 -4.639 -9.673 1.00 0.00 H new ATOM 0 HG3 GLU A 63 3.045 -3.047 -8.954 1.00 0.00 H new ATOM 1017 N ILE A 64 4.484 -6.653 -5.676 1.00 0.00 N ATOM 1018 CA ILE A 64 5.582 -7.284 -4.954 1.00 0.00 C ATOM 1019 C ILE A 64 5.508 -8.805 -5.061 1.00 0.00 C ATOM 1020 O ILE A 64 6.524 -9.494 -4.960 1.00 0.00 O ATOM 1021 CB ILE A 64 5.580 -6.886 -3.462 1.00 0.00 C ATOM 1022 CG1 ILE A 64 5.490 -5.365 -3.313 1.00 0.00 C ATOM 1023 CG2 ILE A 64 6.828 -7.420 -2.773 1.00 0.00 C ATOM 1024 CD1 ILE A 64 5.505 -4.895 -1.872 1.00 0.00 C ATOM 0 H ILE A 64 3.921 -6.016 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 64 6.505 -6.932 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 64 4.705 -7.328 -2.984 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.323 -4.906 -3.845 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.575 -5.015 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.814 -7.133 -1.722 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.850 -8.507 -2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.714 -7.003 -3.252 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.438 -3.807 -1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.656 -5.325 -1.340 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.431 -5.214 -1.395 1.00 0.00 H new ATOM 1036 N LYS A 65 4.300 -9.324 -5.265 1.00 0.00 N ATOM 1037 CA LYS A 65 4.098 -10.764 -5.386 1.00 0.00 C ATOM 1038 C LYS A 65 4.860 -11.321 -6.584 1.00 0.00 C ATOM 1039 O LYS A 65 5.354 -12.449 -6.548 1.00 0.00 O ATOM 1040 CB LYS A 65 2.607 -11.080 -5.518 1.00 0.00 C ATOM 1041 CG LYS A 65 2.022 -11.768 -4.296 1.00 0.00 C ATOM 1042 CD LYS A 65 1.340 -10.773 -3.372 1.00 0.00 C ATOM 1043 CE LYS A 65 0.920 -11.424 -2.064 1.00 0.00 C ATOM 1044 NZ LYS A 65 0.239 -10.459 -1.157 1.00 0.00 N ATOM 0 H LYS A 65 3.448 -8.770 -5.350 1.00 0.00 H new ATOM 0 HA LYS A 65 4.483 -11.239 -4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.062 -10.153 -5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.454 -11.715 -6.391 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.304 -12.525 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.814 -12.286 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.017 -9.944 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.465 -10.355 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.252 -12.260 -2.273 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.798 -11.834 -1.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.151 -10.968 -0.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.924 -9.748 -0.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.532 -9.986 -1.670 1.00 0.00 H new ATOM 1058 N LYS A 66 4.954 -10.526 -7.644 1.00 0.00 N ATOM 1059 CA LYS A 66 5.656 -10.942 -8.851 1.00 0.00 C ATOM 1060 C LYS A 66 7.140 -11.149 -8.570 1.00 0.00 C ATOM 1061 O LYS A 66 7.685 -12.226 -8.817 1.00 0.00 O ATOM 1062 CB LYS A 66 5.474 -9.901 -9.958 1.00 0.00 C ATOM 1063 CG LYS A 66 4.036 -9.761 -10.431 1.00 0.00 C ATOM 1064 CD LYS A 66 3.964 -9.510 -11.928 1.00 0.00 C ATOM 1065 CE LYS A 66 3.883 -10.812 -12.708 1.00 0.00 C ATOM 1066 NZ LYS A 66 3.307 -10.611 -14.067 1.00 0.00 N ATOM 0 H LYS A 66 4.552 -9.590 -7.691 1.00 0.00 H new ATOM 0 HA LYS A 66 5.230 -11.890 -9.181 1.00 0.00 H new ATOM 0 HB2 LYS A 66 5.825 -8.934 -9.597 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.102 -10.172 -10.807 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.481 -10.667 -10.186 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.555 -8.939 -9.900 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.093 -8.895 -12.153 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.842 -8.948 -12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.880 -11.245 -12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 66 3.273 -11.528 -12.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.269 -11.523 -14.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.346 -10.222 -13.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 3.903 -9.948 -14.602 1.00 0.00 H new