USER MOD reduce.3.24.130724 H: found=0, std=0, add=313, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 314 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 227 TYR OH : rot 39:sc= 1.17 USER MOD Set 1.2: A 259 SER OG : rot 12:sc= 0.194 USER MOD Single : A 228 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 234 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0254) USER MOD Single : A 236 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 241 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0507) USER MOD Single : A 242 HIS : no HD1:sc= -0.275 X(o=-0.28,f=0.057) USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 248 THR OG1 : rot 180:sc= 0 USER MOD Single : A 256 SER OG : rot 180:sc= 0 USER MOD Single : A 258 SER OG : rot 180:sc= 0 USER MOD Single : A 261 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 264 CYS SG : rot -22:sc= -1.53 USER MOD ----------------------------------------------------------------- ATOM 114 N TYR A 227 -1.322 -15.498 0.185 1.00 0.00 N ATOM 115 CA TYR A 227 -2.117 -14.718 1.144 1.00 0.00 C ATOM 116 C TYR A 227 -2.366 -13.309 0.592 1.00 0.00 C ATOM 117 O TYR A 227 -1.421 -12.613 0.205 1.00 0.00 O ATOM 118 CB TYR A 227 -1.396 -14.652 2.528 1.00 0.00 C ATOM 119 CG TYR A 227 -1.824 -15.757 3.499 1.00 0.00 C ATOM 120 CD1 TYR A 227 -1.446 -17.090 3.304 1.00 0.00 C ATOM 121 CD2 TYR A 227 -2.631 -15.463 4.599 1.00 0.00 C ATOM 122 CE1 TYR A 227 -1.852 -18.075 4.180 1.00 0.00 C ATOM 123 CE2 TYR A 227 -3.037 -16.440 5.471 1.00 0.00 C ATOM 124 CZ TYR A 227 -2.647 -17.744 5.259 1.00 0.00 C ATOM 125 OH TYR A 227 -3.049 -18.722 6.130 1.00 0.00 O ATOM 0 HA TYR A 227 -3.079 -15.210 1.289 1.00 0.00 H new ATOM 0 HB2 TYR A 227 -0.319 -14.716 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 227 -1.594 -13.682 2.985 1.00 0.00 H new ATOM 0 HD1 TYR A 227 -0.829 -17.351 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 227 -2.943 -14.443 4.767 1.00 0.00 H new ATOM 0 HE1 TYR A 227 -1.550 -19.100 4.023 1.00 0.00 H new ATOM 0 HE2 TYR A 227 -3.658 -16.189 6.318 1.00 0.00 H new ATOM 0 HH TYR A 227 -2.314 -19.355 6.273 1.00 0.00 H new ATOM 135 N THR A 228 -3.643 -12.927 0.538 1.00 0.00 N ATOM 136 CA THR A 228 -4.068 -11.550 0.270 1.00 0.00 C ATOM 137 C THR A 228 -3.822 -10.703 1.544 1.00 0.00 C ATOM 138 O THR A 228 -4.033 -11.218 2.653 1.00 0.00 O ATOM 139 CB THR A 228 -5.580 -11.518 -0.151 1.00 0.00 C ATOM 140 OG1 THR A 228 -6.382 -12.138 0.861 1.00 0.00 O ATOM 141 CG2 THR A 228 -5.827 -12.249 -1.486 1.00 0.00 C ATOM 0 H THR A 228 -4.421 -13.571 0.681 1.00 0.00 H new ATOM 0 HA THR A 228 -3.492 -11.133 -0.556 1.00 0.00 H new ATOM 0 HB THR A 228 -5.855 -10.470 -0.274 1.00 0.00 H new ATOM 0 HG1 THR A 228 -7.324 -12.113 0.593 1.00 0.00 H new ATOM 0 HG21 THR A 228 -6.887 -12.201 -1.737 1.00 0.00 H new ATOM 0 HG22 THR A 228 -5.245 -11.772 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 228 -5.524 -13.292 -1.391 1.00 0.00 H new ATOM 149 N PRO A 229 -3.368 -9.407 1.419 1.00 0.00 N ATOM 150 CA PRO A 229 -2.964 -8.561 2.587 1.00 0.00 C ATOM 151 C PRO A 229 -4.087 -8.362 3.638 1.00 0.00 C ATOM 152 O PRO A 229 -3.796 -8.088 4.812 1.00 0.00 O ATOM 153 CB PRO A 229 -2.543 -7.210 1.930 1.00 0.00 C ATOM 154 CG PRO A 229 -3.206 -7.217 0.581 1.00 0.00 C ATOM 155 CD PRO A 229 -3.201 -8.660 0.137 1.00 0.00 C ATOM 0 HA PRO A 229 -2.168 -9.033 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 229 -2.871 -6.360 2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 229 -1.459 -7.135 1.838 1.00 0.00 H new ATOM 0 HG2 PRO A 229 -4.223 -6.828 0.641 1.00 0.00 H new ATOM 0 HG3 PRO A 229 -2.665 -6.587 -0.125 1.00 0.00 H new ATOM 0 HD2 PRO A 229 -4.011 -8.870 -0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 229 -2.271 -8.924 -0.366 1.00 0.00 H new ATOM 163 N GLU A 230 -5.350 -8.510 3.192 1.00 0.00 N ATOM 164 CA GLU A 230 -6.537 -8.435 4.063 1.00 0.00 C ATOM 165 C GLU A 230 -6.488 -9.520 5.163 1.00 0.00 C ATOM 166 O GLU A 230 -6.822 -9.241 6.305 1.00 0.00 O ATOM 167 CB GLU A 230 -7.840 -8.578 3.229 1.00 0.00 C ATOM 168 CG GLU A 230 -7.960 -9.908 2.462 1.00 0.00 C ATOM 169 CD GLU A 230 -9.293 -10.084 1.727 1.00 0.00 C ATOM 170 OE1 GLU A 230 -9.448 -9.527 0.618 1.00 0.00 O ATOM 171 OE2 GLU A 230 -10.195 -10.772 2.260 1.00 0.00 O ATOM 0 H GLU A 230 -5.575 -8.686 2.213 1.00 0.00 H new ATOM 0 HA GLU A 230 -6.535 -7.457 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 230 -8.697 -8.478 3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 230 -7.893 -7.755 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 230 -7.147 -9.974 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 230 -7.831 -10.733 3.163 1.00 0.00 H new ATOM 178 N GLU A 231 -6.024 -10.738 4.792 1.00 0.00 N ATOM 179 CA GLU A 231 -5.965 -11.919 5.682 1.00 0.00 C ATOM 180 C GLU A 231 -4.924 -11.746 6.789 1.00 0.00 C ATOM 181 O GLU A 231 -5.076 -12.318 7.862 1.00 0.00 O ATOM 182 CB GLU A 231 -5.650 -13.206 4.879 1.00 0.00 C ATOM 183 CG GLU A 231 -6.698 -13.544 3.811 1.00 0.00 C ATOM 184 CD GLU A 231 -6.358 -14.818 3.030 1.00 0.00 C ATOM 185 OE1 GLU A 231 -5.496 -14.751 2.128 1.00 0.00 O ATOM 186 OE2 GLU A 231 -6.942 -15.885 3.315 1.00 0.00 O ATOM 0 H GLU A 231 -5.676 -10.928 3.852 1.00 0.00 H new ATOM 0 HA GLU A 231 -6.948 -12.013 6.143 1.00 0.00 H new ATOM 0 HB2 GLU A 231 -4.678 -13.094 4.398 1.00 0.00 H new ATOM 0 HB3 GLU A 231 -5.568 -14.044 5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 231 -7.671 -13.664 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 231 -6.785 -12.709 3.116 1.00 0.00 H new ATOM 193 N ILE A 232 -3.857 -10.980 6.499 1.00 0.00 N ATOM 194 CA ILE A 232 -2.811 -10.672 7.484 1.00 0.00 C ATOM 195 C ILE A 232 -3.400 -9.742 8.556 1.00 0.00 C ATOM 196 O ILE A 232 -3.397 -10.071 9.740 1.00 0.00 O ATOM 197 CB ILE A 232 -1.503 -10.052 6.826 1.00 0.00 C ATOM 198 CG1 ILE A 232 -0.767 -11.106 5.906 1.00 0.00 C ATOM 199 CG2 ILE A 232 -0.521 -9.508 7.908 1.00 0.00 C ATOM 200 CD1 ILE A 232 -1.442 -11.445 4.587 1.00 0.00 C ATOM 0 H ILE A 232 -3.698 -10.561 5.583 1.00 0.00 H new ATOM 0 HA ILE A 232 -2.487 -11.606 7.943 1.00 0.00 H new ATOM 0 HB ILE A 232 -1.825 -9.216 6.205 1.00 0.00 H new ATOM 0 HG12 ILE A 232 0.233 -10.731 5.690 1.00 0.00 H new ATOM 0 HG13 ILE A 232 -0.646 -12.028 6.474 1.00 0.00 H new ATOM 0 HG21 ILE A 232 0.361 -9.092 7.422 1.00 0.00 H new ATOM 0 HG22 ILE A 232 -1.015 -8.730 8.490 1.00 0.00 H new ATOM 0 HG23 ILE A 232 -0.222 -10.321 8.569 1.00 0.00 H new ATOM 0 HD11 ILE A 232 -0.841 -12.177 4.048 1.00 0.00 H new ATOM 0 HD12 ILE A 232 -2.431 -11.859 4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 232 -1.539 -10.542 3.985 1.00 0.00 H new ATOM 212 N GLU A 233 -3.973 -8.620 8.106 1.00 0.00 N ATOM 213 CA GLU A 233 -4.646 -7.639 8.984 1.00 0.00 C ATOM 214 C GLU A 233 -5.830 -8.283 9.747 1.00 0.00 C ATOM 215 O GLU A 233 -6.115 -7.920 10.892 1.00 0.00 O ATOM 216 CB GLU A 233 -5.131 -6.446 8.124 1.00 0.00 C ATOM 217 CG GLU A 233 -5.819 -5.305 8.912 1.00 0.00 C ATOM 218 CD GLU A 233 -6.155 -4.094 8.026 1.00 0.00 C ATOM 219 OE1 GLU A 233 -7.222 -4.098 7.368 1.00 0.00 O ATOM 220 OE2 GLU A 233 -5.338 -3.155 7.955 1.00 0.00 O ATOM 0 H GLU A 233 -3.986 -8.360 7.120 1.00 0.00 H new ATOM 0 HA GLU A 233 -3.936 -7.287 9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 233 -4.276 -6.033 7.589 1.00 0.00 H new ATOM 0 HB3 GLU A 233 -5.827 -6.819 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 233 -6.735 -5.683 9.367 1.00 0.00 H new ATOM 0 HG3 GLU A 233 -5.167 -4.986 9.725 1.00 0.00 H new ATOM 227 N LYS A 234 -6.479 -9.263 9.089 1.00 0.00 N ATOM 228 CA LYS A 234 -7.651 -9.977 9.620 1.00 0.00 C ATOM 229 C LYS A 234 -7.236 -10.952 10.729 1.00 0.00 C ATOM 230 O LYS A 234 -7.892 -11.028 11.760 1.00 0.00 O ATOM 231 CB LYS A 234 -8.374 -10.764 8.494 1.00 0.00 C ATOM 232 CG LYS A 234 -9.760 -11.331 8.882 1.00 0.00 C ATOM 233 CD LYS A 234 -10.801 -10.219 9.181 1.00 0.00 C ATOM 234 CE LYS A 234 -11.010 -9.237 8.006 1.00 0.00 C ATOM 235 NZ LYS A 234 -11.387 -9.938 6.758 1.00 0.00 N ATOM 0 H LYS A 234 -6.199 -9.583 8.162 1.00 0.00 H new ATOM 0 HA LYS A 234 -8.332 -9.232 10.031 1.00 0.00 H new ATOM 0 HB2 LYS A 234 -8.494 -10.108 7.632 1.00 0.00 H new ATOM 0 HB3 LYS A 234 -7.735 -11.589 8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 234 -10.130 -11.961 8.073 1.00 0.00 H new ATOM 0 HG3 LYS A 234 -9.654 -11.969 9.759 1.00 0.00 H new ATOM 0 HD2 LYS A 234 -11.755 -10.683 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 234 -10.480 -9.659 10.059 1.00 0.00 H new ATOM 0 HE2 LYS A 234 -11.787 -8.519 8.267 1.00 0.00 H new ATOM 0 HE3 LYS A 234 -10.094 -8.669 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 234 -11.600 -9.239 6.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 234 -10.599 -10.542 6.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 234 -12.227 -10.526 6.930 1.00 0.00 H new ATOM 249 N LEU A 235 -6.128 -11.689 10.493 1.00 0.00 N ATOM 250 CA LEU A 235 -5.626 -12.707 11.432 1.00 0.00 C ATOM 251 C LEU A 235 -5.145 -12.016 12.715 1.00 0.00 C ATOM 252 O LEU A 235 -5.329 -12.530 13.819 1.00 0.00 O ATOM 253 CB LEU A 235 -4.512 -13.613 10.762 1.00 0.00 C ATOM 254 CG LEU A 235 -3.019 -13.106 10.744 1.00 0.00 C ATOM 255 CD1 LEU A 235 -2.283 -13.440 12.059 1.00 0.00 C ATOM 256 CD2 LEU A 235 -2.241 -13.666 9.530 1.00 0.00 C ATOM 0 H LEU A 235 -5.562 -11.593 9.650 1.00 0.00 H new ATOM 0 HA LEU A 235 -6.434 -13.388 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 235 -4.525 -14.578 11.269 1.00 0.00 H new ATOM 0 HB3 LEU A 235 -4.811 -13.791 9.729 1.00 0.00 H new ATOM 0 HG LEU A 235 -3.059 -12.021 10.649 1.00 0.00 H new ATOM 0 HD11 LEU A 235 -1.258 -13.074 12.005 1.00 0.00 H new ATOM 0 HD12 LEU A 235 -2.796 -12.963 12.894 1.00 0.00 H new ATOM 0 HD13 LEU A 235 -2.275 -14.520 12.207 1.00 0.00 H new ATOM 0 HD21 LEU A 235 -1.216 -13.295 9.552 1.00 0.00 H new ATOM 0 HD22 LEU A 235 -2.233 -14.755 9.574 1.00 0.00 H new ATOM 0 HD23 LEU A 235 -2.724 -13.343 8.608 1.00 0.00 H new ATOM 268 N LYS A 236 -4.534 -10.834 12.529 1.00 0.00 N ATOM 269 CA LYS A 236 -4.023 -9.992 13.614 1.00 0.00 C ATOM 270 C LYS A 236 -5.177 -9.377 14.425 1.00 0.00 C ATOM 271 O LYS A 236 -5.114 -9.322 15.650 1.00 0.00 O ATOM 272 CB LYS A 236 -3.112 -8.906 12.999 1.00 0.00 C ATOM 273 CG LYS A 236 -1.799 -9.478 12.391 1.00 0.00 C ATOM 274 CD LYS A 236 -1.052 -8.475 11.483 1.00 0.00 C ATOM 275 CE LYS A 236 -0.684 -7.169 12.199 1.00 0.00 C ATOM 276 NZ LYS A 236 0.055 -6.243 11.324 1.00 0.00 N ATOM 0 H LYS A 236 -4.381 -10.434 11.603 1.00 0.00 H new ATOM 0 HA LYS A 236 -3.442 -10.595 14.312 1.00 0.00 H new ATOM 0 HB2 LYS A 236 -3.663 -8.376 12.222 1.00 0.00 H new ATOM 0 HB3 LYS A 236 -2.860 -8.175 13.767 1.00 0.00 H new ATOM 0 HG2 LYS A 236 -1.137 -9.786 13.200 1.00 0.00 H new ATOM 0 HG3 LYS A 236 -2.035 -10.372 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 236 -0.143 -8.944 11.106 1.00 0.00 H new ATOM 0 HD3 LYS A 236 -1.674 -8.245 10.618 1.00 0.00 H new ATOM 0 HE2 LYS A 236 -1.593 -6.683 12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 236 -0.080 -7.396 13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 236 0.282 -5.375 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 236 0.936 -6.695 11.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 236 -0.530 -6.004 10.498 1.00 0.00 H new ATOM 290 N GLU A 237 -6.236 -8.943 13.715 1.00 0.00 N ATOM 291 CA GLU A 237 -7.478 -8.426 14.326 1.00 0.00 C ATOM 292 C GLU A 237 -8.113 -9.503 15.232 1.00 0.00 C ATOM 293 O GLU A 237 -8.406 -9.251 16.405 1.00 0.00 O ATOM 294 CB GLU A 237 -8.463 -7.989 13.199 1.00 0.00 C ATOM 295 CG GLU A 237 -9.871 -7.546 13.667 1.00 0.00 C ATOM 296 CD GLU A 237 -9.876 -6.366 14.660 1.00 0.00 C ATOM 297 OE1 GLU A 237 -9.208 -5.348 14.393 1.00 0.00 O ATOM 298 OE2 GLU A 237 -10.583 -6.437 15.690 1.00 0.00 O ATOM 0 H GLU A 237 -6.255 -8.941 12.695 1.00 0.00 H new ATOM 0 HA GLU A 237 -7.249 -7.560 14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 237 -8.010 -7.167 12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 237 -8.577 -8.818 12.501 1.00 0.00 H new ATOM 0 HG2 GLU A 237 -10.460 -7.270 12.792 1.00 0.00 H new ATOM 0 HG3 GLU A 237 -10.369 -8.397 14.132 1.00 0.00 H new ATOM 305 N LEU A 238 -8.260 -10.712 14.666 1.00 0.00 N ATOM 306 CA LEU A 238 -8.803 -11.889 15.365 1.00 0.00 C ATOM 307 C LEU A 238 -7.898 -12.301 16.536 1.00 0.00 C ATOM 308 O LEU A 238 -8.391 -12.756 17.563 1.00 0.00 O ATOM 309 CB LEU A 238 -8.977 -13.083 14.383 1.00 0.00 C ATOM 310 CG LEU A 238 -10.042 -12.893 13.258 1.00 0.00 C ATOM 311 CD1 LEU A 238 -10.053 -14.095 12.279 1.00 0.00 C ATOM 312 CD2 LEU A 238 -11.449 -12.633 13.859 1.00 0.00 C ATOM 0 H LEU A 238 -8.002 -10.902 13.698 1.00 0.00 H new ATOM 0 HA LEU A 238 -9.781 -11.616 15.762 1.00 0.00 H new ATOM 0 HB2 LEU A 238 -8.014 -13.285 13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 238 -9.242 -13.968 14.961 1.00 0.00 H new ATOM 0 HG LEU A 238 -9.762 -12.011 12.682 1.00 0.00 H new ATOM 0 HD11 LEU A 238 -10.806 -13.930 11.508 1.00 0.00 H new ATOM 0 HD12 LEU A 238 -9.073 -14.194 11.813 1.00 0.00 H new ATOM 0 HD13 LEU A 238 -10.288 -15.008 12.826 1.00 0.00 H new ATOM 0 HD21 LEU A 238 -12.171 -12.504 13.053 1.00 0.00 H new ATOM 0 HD22 LEU A 238 -11.743 -13.481 14.477 1.00 0.00 H new ATOM 0 HD23 LEU A 238 -11.423 -11.731 14.470 1.00 0.00 H new ATOM 324 N ARG A 239 -6.577 -12.118 16.374 1.00 0.00 N ATOM 325 CA ARG A 239 -5.587 -12.512 17.392 1.00 0.00 C ATOM 326 C ARG A 239 -5.702 -11.618 18.639 1.00 0.00 C ATOM 327 O ARG A 239 -5.502 -12.074 19.760 1.00 0.00 O ATOM 328 CB ARG A 239 -4.144 -12.442 16.829 1.00 0.00 C ATOM 329 CG ARG A 239 -3.086 -13.166 17.710 1.00 0.00 C ATOM 330 CD ARG A 239 -1.741 -12.428 17.799 1.00 0.00 C ATOM 331 NE ARG A 239 -1.900 -11.084 18.361 1.00 0.00 N ATOM 332 CZ ARG A 239 -2.164 -10.789 19.643 1.00 0.00 C ATOM 333 NH1 ARG A 239 -2.372 -11.739 20.548 1.00 0.00 N ATOM 334 NH2 ARG A 239 -2.242 -9.525 20.005 1.00 0.00 N ATOM 0 H ARG A 239 -6.167 -11.696 15.541 1.00 0.00 H new ATOM 0 HA ARG A 239 -5.800 -13.543 17.673 1.00 0.00 H new ATOM 0 HB2 ARG A 239 -4.133 -12.881 15.831 1.00 0.00 H new ATOM 0 HB3 ARG A 239 -3.857 -11.396 16.721 1.00 0.00 H new ATOM 0 HG2 ARG A 239 -3.488 -13.291 18.715 1.00 0.00 H new ATOM 0 HG3 ARG A 239 -2.915 -14.165 17.309 1.00 0.00 H new ATOM 0 HD2 ARG A 239 -1.050 -13.002 18.417 1.00 0.00 H new ATOM 0 HD3 ARG A 239 -1.297 -12.358 16.806 1.00 0.00 H new ATOM 0 HE ARG A 239 -1.801 -10.299 17.717 1.00 0.00 H new ATOM 0 HH11 ARG A 239 -2.333 -12.721 20.275 1.00 0.00 H new ATOM 0 HH12 ARG A 239 -2.571 -11.486 21.516 1.00 0.00 H new ATOM 0 HH21 ARG A 239 -2.102 -8.787 19.315 1.00 0.00 H new ATOM 0 HH22 ARG A 239 -2.442 -9.284 20.976 1.00 0.00 H new ATOM 348 N ILE A 240 -6.019 -10.335 18.418 1.00 0.00 N ATOM 349 CA ILE A 240 -6.235 -9.370 19.512 1.00 0.00 C ATOM 350 C ILE A 240 -7.594 -9.648 20.207 1.00 0.00 C ATOM 351 O ILE A 240 -7.728 -9.473 21.422 1.00 0.00 O ATOM 352 CB ILE A 240 -6.177 -7.888 18.974 1.00 0.00 C ATOM 353 CG1 ILE A 240 -4.809 -7.611 18.254 1.00 0.00 C ATOM 354 CG2 ILE A 240 -6.411 -6.851 20.112 1.00 0.00 C ATOM 355 CD1 ILE A 240 -4.715 -6.275 17.521 1.00 0.00 C ATOM 0 H ILE A 240 -6.133 -9.937 17.486 1.00 0.00 H new ATOM 0 HA ILE A 240 -5.437 -9.492 20.244 1.00 0.00 H new ATOM 0 HB ILE A 240 -6.984 -7.773 18.250 1.00 0.00 H new ATOM 0 HG12 ILE A 240 -4.011 -7.656 18.996 1.00 0.00 H new ATOM 0 HG13 ILE A 240 -4.625 -8.413 17.539 1.00 0.00 H new ATOM 0 HG21 ILE A 240 -6.363 -5.843 19.701 1.00 0.00 H new ATOM 0 HG22 ILE A 240 -7.392 -7.015 20.558 1.00 0.00 H new ATOM 0 HG23 ILE A 240 -5.642 -6.968 20.875 1.00 0.00 H new ATOM 0 HD11 ILE A 240 -3.732 -6.182 17.059 1.00 0.00 H new ATOM 0 HD12 ILE A 240 -5.484 -6.228 16.750 1.00 0.00 H new ATOM 0 HD13 ILE A 240 -4.861 -5.460 18.230 1.00 0.00 H new ATOM 367 N LYS A 241 -8.588 -10.107 19.422 1.00 0.00 N ATOM 368 CA LYS A 241 -9.961 -10.361 19.919 1.00 0.00 C ATOM 369 C LYS A 241 -10.122 -11.752 20.572 1.00 0.00 C ATOM 370 O LYS A 241 -11.055 -11.955 21.353 1.00 0.00 O ATOM 371 CB LYS A 241 -10.986 -10.190 18.764 1.00 0.00 C ATOM 372 CG LYS A 241 -11.047 -8.761 18.175 1.00 0.00 C ATOM 373 CD LYS A 241 -11.440 -7.679 19.217 1.00 0.00 C ATOM 374 CE LYS A 241 -12.858 -7.867 19.798 1.00 0.00 C ATOM 375 NZ LYS A 241 -13.902 -7.808 18.744 1.00 0.00 N ATOM 0 H LYS A 241 -8.466 -10.312 18.430 1.00 0.00 H new ATOM 0 HA LYS A 241 -10.154 -9.625 20.699 1.00 0.00 H new ATOM 0 HB2 LYS A 241 -10.737 -10.889 17.966 1.00 0.00 H new ATOM 0 HB3 LYS A 241 -11.976 -10.463 19.129 1.00 0.00 H new ATOM 0 HG2 LYS A 241 -10.075 -8.510 17.751 1.00 0.00 H new ATOM 0 HG3 LYS A 241 -11.766 -8.744 17.356 1.00 0.00 H new ATOM 0 HD2 LYS A 241 -10.717 -7.693 20.033 1.00 0.00 H new ATOM 0 HD3 LYS A 241 -11.375 -6.696 18.750 1.00 0.00 H new ATOM 0 HE2 LYS A 241 -12.915 -8.827 20.312 1.00 0.00 H new ATOM 0 HE3 LYS A 241 -13.050 -7.095 20.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 241 -14.843 -7.836 19.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 241 -13.800 -6.926 18.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 241 -13.795 -8.621 18.104 1.00 0.00 H new ATOM 389 N HIS A 242 -9.226 -12.703 20.254 1.00 0.00 N ATOM 390 CA HIS A 242 -9.309 -14.105 20.758 1.00 0.00 C ATOM 391 C HIS A 242 -8.143 -14.417 21.717 1.00 0.00 C ATOM 392 O HIS A 242 -8.330 -15.084 22.740 1.00 0.00 O ATOM 393 CB HIS A 242 -9.334 -15.114 19.575 1.00 0.00 C ATOM 394 CG HIS A 242 -10.617 -15.102 18.769 1.00 0.00 C ATOM 395 ND1 HIS A 242 -11.659 -15.971 19.006 1.00 0.00 N ATOM 396 CD2 HIS A 242 -11.020 -14.326 17.733 1.00 0.00 C ATOM 397 CE1 HIS A 242 -12.636 -15.735 18.153 1.00 0.00 C ATOM 398 NE2 HIS A 242 -12.269 -14.743 17.373 1.00 0.00 N ATOM 0 H HIS A 242 -8.425 -12.534 19.645 1.00 0.00 H new ATOM 0 HA HIS A 242 -10.240 -14.208 21.315 1.00 0.00 H new ATOM 0 HB2 HIS A 242 -8.499 -14.895 18.909 1.00 0.00 H new ATOM 0 HB3 HIS A 242 -9.175 -16.119 19.967 1.00 0.00 H new ATOM 0 HD2 HIS A 242 -10.457 -13.525 17.277 1.00 0.00 H new ATOM 0 HE1 HIS A 242 -13.576 -16.265 18.104 1.00 0.00 H new ATOM 0 HE2 HIS A 242 -12.829 -14.347 16.618 1.00 0.00 H new ATOM 407 N GLY A 243 -6.936 -13.930 21.368 1.00 0.00 N ATOM 408 CA GLY A 243 -5.730 -14.122 22.188 1.00 0.00 C ATOM 409 C GLY A 243 -4.646 -14.869 21.420 1.00 0.00 C ATOM 410 O GLY A 243 -3.826 -14.251 20.736 1.00 0.00 O ATOM 0 H GLY A 243 -6.773 -13.396 20.514 1.00 0.00 H new ATOM 0 HA2 GLY A 243 -5.348 -13.153 22.508 1.00 0.00 H new ATOM 0 HA3 GLY A 243 -5.987 -14.677 23.090 1.00 0.00 H new ATOM 414 N ASN A 244 -4.652 -16.205 21.533 1.00 0.00 N ATOM 415 CA ASN A 244 -3.691 -17.100 20.837 1.00 0.00 C ATOM 416 C ASN A 244 -4.447 -18.281 20.208 1.00 0.00 C ATOM 417 O ASN A 244 -3.901 -19.381 20.061 1.00 0.00 O ATOM 418 CB ASN A 244 -2.589 -17.606 21.818 1.00 0.00 C ATOM 419 CG ASN A 244 -1.664 -16.486 22.320 1.00 0.00 C ATOM 420 OD1 ASN A 244 -0.639 -16.186 21.708 1.00 0.00 O ATOM 421 ND2 ASN A 244 -2.027 -15.850 23.423 1.00 0.00 N ATOM 0 H ASN A 244 -5.325 -16.707 22.112 1.00 0.00 H new ATOM 0 HA ASN A 244 -3.195 -16.536 20.047 1.00 0.00 H new ATOM 0 HB2 ASN A 244 -3.065 -18.085 22.673 1.00 0.00 H new ATOM 0 HB3 ASN A 244 -1.989 -18.367 21.319 1.00 0.00 H new ATOM 0 HD21 ASN A 244 -1.452 -15.090 23.786 1.00 0.00 H new ATOM 0 HD22 ASN A 244 -2.882 -16.120 23.910 1.00 0.00 H new ATOM 428 N ASP A 245 -5.707 -18.024 19.808 1.00 0.00 N ATOM 429 CA ASP A 245 -6.572 -19.014 19.139 1.00 0.00 C ATOM 430 C ASP A 245 -6.241 -19.095 17.637 1.00 0.00 C ATOM 431 O ASP A 245 -7.073 -18.753 16.796 1.00 0.00 O ATOM 432 CB ASP A 245 -8.075 -18.666 19.349 1.00 0.00 C ATOM 433 CG ASP A 245 -8.550 -18.859 20.788 1.00 0.00 C ATOM 434 OD1 ASP A 245 -8.970 -19.984 21.131 1.00 0.00 O ATOM 435 OD2 ASP A 245 -8.522 -17.890 21.570 1.00 0.00 O ATOM 0 H ASP A 245 -6.156 -17.118 19.941 1.00 0.00 H new ATOM 0 HA ASP A 245 -6.382 -19.989 19.587 1.00 0.00 H new ATOM 0 HB2 ASP A 245 -8.244 -17.630 19.055 1.00 0.00 H new ATOM 0 HB3 ASP A 245 -8.679 -19.288 18.689 1.00 0.00 H new ATOM 440 N TRP A 246 -5.025 -19.571 17.317 1.00 0.00 N ATOM 441 CA TRP A 246 -4.510 -19.644 15.935 1.00 0.00 C ATOM 442 C TRP A 246 -5.337 -20.610 15.080 1.00 0.00 C ATOM 443 O TRP A 246 -5.512 -20.392 13.876 1.00 0.00 O ATOM 444 CB TRP A 246 -3.035 -20.094 15.940 1.00 0.00 C ATOM 445 CG TRP A 246 -2.120 -19.208 16.745 1.00 0.00 C ATOM 446 CD1 TRP A 246 -1.500 -19.512 17.924 1.00 0.00 C ATOM 447 CD2 TRP A 246 -1.728 -17.868 16.424 1.00 0.00 C ATOM 448 NE1 TRP A 246 -0.726 -18.460 18.334 1.00 0.00 N ATOM 449 CE2 TRP A 246 -0.847 -17.441 17.433 1.00 0.00 C ATOM 450 CE3 TRP A 246 -2.018 -16.996 15.366 1.00 0.00 C ATOM 451 CZ2 TRP A 246 -0.265 -16.182 17.427 1.00 0.00 C ATOM 452 CZ3 TRP A 246 -1.440 -15.747 15.361 1.00 0.00 C ATOM 453 CH2 TRP A 246 -0.562 -15.357 16.381 1.00 0.00 C ATOM 0 H TRP A 246 -4.366 -19.919 18.014 1.00 0.00 H new ATOM 0 HA TRP A 246 -4.588 -18.648 15.500 1.00 0.00 H new ATOM 0 HB2 TRP A 246 -2.978 -21.109 16.334 1.00 0.00 H new ATOM 0 HB3 TRP A 246 -2.675 -20.130 14.912 1.00 0.00 H new ATOM 0 HD1 TRP A 246 -1.605 -20.446 18.455 1.00 0.00 H new ATOM 0 HE1 TRP A 246 -0.152 -18.440 19.177 1.00 0.00 H new ATOM 0 HE3 TRP A 246 -2.682 -17.298 14.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 246 0.398 -15.867 18.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 246 -1.666 -15.058 14.560 1.00 0.00 H new ATOM 0 HH2 TRP A 246 -0.108 -14.378 16.338 1.00 0.00 H new ATOM 464 N ALA A 247 -5.827 -21.680 15.728 1.00 0.00 N ATOM 465 CA ALA A 247 -6.680 -22.688 15.088 1.00 0.00 C ATOM 466 C ALA A 247 -8.027 -22.075 14.661 1.00 0.00 C ATOM 467 O ALA A 247 -8.512 -22.337 13.558 1.00 0.00 O ATOM 468 CB ALA A 247 -6.882 -23.881 16.033 1.00 0.00 C ATOM 0 H ALA A 247 -5.641 -21.868 16.713 1.00 0.00 H new ATOM 0 HA ALA A 247 -6.185 -23.047 14.186 1.00 0.00 H new ATOM 0 HB1 ALA A 247 -7.516 -24.624 15.550 1.00 0.00 H new ATOM 0 HB2 ALA A 247 -5.915 -24.326 16.268 1.00 0.00 H new ATOM 0 HB3 ALA A 247 -7.358 -23.540 16.953 1.00 0.00 H new ATOM 474 N THR A 248 -8.595 -21.246 15.553 1.00 0.00 N ATOM 475 CA THR A 248 -9.864 -20.528 15.319 1.00 0.00 C ATOM 476 C THR A 248 -9.708 -19.492 14.181 1.00 0.00 C ATOM 477 O THR A 248 -10.592 -19.356 13.328 1.00 0.00 O ATOM 478 CB THR A 248 -10.334 -19.817 16.632 1.00 0.00 C ATOM 479 OG1 THR A 248 -10.539 -20.794 17.669 1.00 0.00 O ATOM 480 CG2 THR A 248 -11.621 -18.994 16.446 1.00 0.00 C ATOM 0 H THR A 248 -8.184 -21.052 16.466 1.00 0.00 H new ATOM 0 HA THR A 248 -10.618 -21.256 15.020 1.00 0.00 H new ATOM 0 HB THR A 248 -9.544 -19.120 16.911 1.00 0.00 H new ATOM 0 HG1 THR A 248 -10.831 -20.344 18.489 1.00 0.00 H new ATOM 0 HG21 THR A 248 -11.894 -18.527 17.392 1.00 0.00 H new ATOM 0 HG22 THR A 248 -11.454 -18.222 15.695 1.00 0.00 H new ATOM 0 HG23 THR A 248 -12.428 -19.650 16.119 1.00 0.00 H new ATOM 488 N ILE A 249 -8.568 -18.779 14.197 1.00 0.00 N ATOM 489 CA ILE A 249 -8.234 -17.740 13.203 1.00 0.00 C ATOM 490 C ILE A 249 -8.112 -18.353 11.790 1.00 0.00 C ATOM 491 O ILE A 249 -8.783 -17.904 10.848 1.00 0.00 O ATOM 492 CB ILE A 249 -6.887 -17.020 13.603 1.00 0.00 C ATOM 493 CG1 ILE A 249 -7.042 -16.253 14.957 1.00 0.00 C ATOM 494 CG2 ILE A 249 -6.385 -16.072 12.490 1.00 0.00 C ATOM 495 CD1 ILE A 249 -5.739 -15.722 15.533 1.00 0.00 C ATOM 0 H ILE A 249 -7.846 -18.908 14.906 1.00 0.00 H new ATOM 0 HA ILE A 249 -9.039 -17.005 13.189 1.00 0.00 H new ATOM 0 HB ILE A 249 -6.134 -17.797 13.732 1.00 0.00 H new ATOM 0 HG12 ILE A 249 -7.727 -15.418 14.811 1.00 0.00 H new ATOM 0 HG13 ILE A 249 -7.503 -16.919 15.687 1.00 0.00 H new ATOM 0 HG21 ILE A 249 -5.456 -15.598 12.807 1.00 0.00 H new ATOM 0 HG22 ILE A 249 -6.208 -16.643 11.578 1.00 0.00 H new ATOM 0 HG23 ILE A 249 -7.136 -15.306 12.298 1.00 0.00 H new ATOM 0 HD11 ILE A 249 -5.940 -15.205 16.471 1.00 0.00 H new ATOM 0 HD12 ILE A 249 -5.057 -16.552 15.715 1.00 0.00 H new ATOM 0 HD13 ILE A 249 -5.285 -15.028 14.826 1.00 0.00 H new ATOM 507 N GLY A 250 -7.257 -19.389 11.679 1.00 0.00 N ATOM 508 CA GLY A 250 -7.010 -20.089 10.419 1.00 0.00 C ATOM 509 C GLY A 250 -8.275 -20.729 9.852 1.00 0.00 C ATOM 510 O GLY A 250 -8.506 -20.680 8.643 1.00 0.00 O ATOM 0 H GLY A 250 -6.722 -19.758 12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 250 -6.603 -19.388 9.691 1.00 0.00 H new ATOM 0 HA3 GLY A 250 -6.255 -20.859 10.576 1.00 0.00 H new ATOM 514 N ALA A 251 -9.103 -21.296 10.751 1.00 0.00 N ATOM 515 CA ALA A 251 -10.394 -21.918 10.390 1.00 0.00 C ATOM 516 C ALA A 251 -11.390 -20.878 9.839 1.00 0.00 C ATOM 517 O ALA A 251 -12.095 -21.154 8.865 1.00 0.00 O ATOM 518 CB ALA A 251 -10.994 -22.642 11.600 1.00 0.00 C ATOM 0 H ALA A 251 -8.896 -21.336 11.749 1.00 0.00 H new ATOM 0 HA ALA A 251 -10.203 -22.645 9.601 1.00 0.00 H new ATOM 0 HB1 ALA A 251 -11.945 -23.095 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 251 -10.307 -23.419 11.936 1.00 0.00 H new ATOM 0 HB3 ALA A 251 -11.157 -21.928 12.407 1.00 0.00 H new ATOM 524 N ALA A 252 -11.413 -19.682 10.469 1.00 0.00 N ATOM 525 CA ALA A 252 -12.311 -18.563 10.081 1.00 0.00 C ATOM 526 C ALA A 252 -11.962 -18.045 8.675 1.00 0.00 C ATOM 527 O ALA A 252 -12.849 -17.730 7.872 1.00 0.00 O ATOM 528 CB ALA A 252 -12.209 -17.425 11.112 1.00 0.00 C ATOM 0 H ALA A 252 -10.810 -19.462 11.262 1.00 0.00 H new ATOM 0 HA ALA A 252 -13.336 -18.932 10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 252 -12.870 -16.609 10.820 1.00 0.00 H new ATOM 0 HB2 ALA A 252 -12.503 -17.796 12.094 1.00 0.00 H new ATOM 0 HB3 ALA A 252 -11.182 -17.062 11.153 1.00 0.00 H new ATOM 534 N LEU A 253 -10.649 -17.953 8.413 1.00 0.00 N ATOM 535 CA LEU A 253 -10.094 -17.555 7.105 1.00 0.00 C ATOM 536 C LEU A 253 -10.226 -18.695 6.072 1.00 0.00 C ATOM 537 O LEU A 253 -10.236 -18.439 4.864 1.00 0.00 O ATOM 538 CB LEU A 253 -8.609 -17.148 7.284 1.00 0.00 C ATOM 539 CG LEU A 253 -8.371 -15.895 8.191 1.00 0.00 C ATOM 540 CD1 LEU A 253 -6.897 -15.776 8.616 1.00 0.00 C ATOM 541 CD2 LEU A 253 -8.861 -14.602 7.490 1.00 0.00 C ATOM 0 H LEU A 253 -9.932 -18.155 9.110 1.00 0.00 H new ATOM 0 HA LEU A 253 -10.660 -16.705 6.725 1.00 0.00 H new ATOM 0 HB2 LEU A 253 -8.065 -17.993 7.707 1.00 0.00 H new ATOM 0 HB3 LEU A 253 -8.180 -16.953 6.301 1.00 0.00 H new ATOM 0 HG LEU A 253 -8.960 -16.028 9.099 1.00 0.00 H new ATOM 0 HD11 LEU A 253 -6.770 -14.895 9.245 1.00 0.00 H new ATOM 0 HD12 LEU A 253 -6.607 -16.666 9.175 1.00 0.00 H new ATOM 0 HD13 LEU A 253 -6.269 -15.683 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 253 -8.684 -13.746 8.141 1.00 0.00 H new ATOM 0 HD22 LEU A 253 -8.316 -14.466 6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 253 -9.927 -14.684 7.280 1.00 0.00 H new ATOM 553 N GLY A 254 -10.324 -19.947 6.570 1.00 0.00 N ATOM 554 CA GLY A 254 -10.397 -21.146 5.723 1.00 0.00 C ATOM 555 C GLY A 254 -9.034 -21.548 5.168 1.00 0.00 C ATOM 556 O GLY A 254 -8.952 -22.229 4.142 1.00 0.00 O ATOM 0 H GLY A 254 -10.354 -20.149 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 254 -10.809 -21.972 6.302 1.00 0.00 H new ATOM 0 HA3 GLY A 254 -11.083 -20.963 4.896 1.00 0.00 H new ATOM 560 N ARG A 255 -7.962 -21.085 5.838 1.00 0.00 N ATOM 561 CA ARG A 255 -6.556 -21.373 5.476 1.00 0.00 C ATOM 562 C ARG A 255 -5.918 -22.218 6.595 1.00 0.00 C ATOM 563 O ARG A 255 -6.611 -22.647 7.523 1.00 0.00 O ATOM 564 CB ARG A 255 -5.757 -20.049 5.264 1.00 0.00 C ATOM 565 CG ARG A 255 -6.509 -18.935 4.494 1.00 0.00 C ATOM 566 CD ARG A 255 -6.926 -19.338 3.061 1.00 0.00 C ATOM 567 NE ARG A 255 -5.769 -19.728 2.230 1.00 0.00 N ATOM 568 CZ ARG A 255 -4.941 -18.875 1.607 1.00 0.00 C ATOM 569 NH1 ARG A 255 -5.051 -17.567 1.745 1.00 0.00 N ATOM 570 NH2 ARG A 255 -3.985 -19.349 0.847 1.00 0.00 N ATOM 0 H ARG A 255 -8.047 -20.489 6.661 1.00 0.00 H new ATOM 0 HA ARG A 255 -6.529 -21.928 4.538 1.00 0.00 H new ATOM 0 HB2 ARG A 255 -5.466 -19.660 6.240 1.00 0.00 H new ATOM 0 HB3 ARG A 255 -4.838 -20.281 4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 255 -7.400 -18.656 5.056 1.00 0.00 H new ATOM 0 HG3 ARG A 255 -5.874 -18.050 4.442 1.00 0.00 H new ATOM 0 HD2 ARG A 255 -7.632 -20.167 3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 255 -7.446 -18.505 2.588 1.00 0.00 H new ATOM 0 HE ARG A 255 -5.584 -20.725 2.121 1.00 0.00 H new ATOM 0 HH11 ARG A 255 -5.782 -17.177 2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 255 -4.405 -16.947 1.257 1.00 0.00 H new ATOM 0 HH21 ARG A 255 -3.876 -20.357 0.734 1.00 0.00 H new ATOM 0 HH22 ARG A 255 -3.350 -18.710 0.369 1.00 0.00 H new ATOM 584 N SER A 256 -4.601 -22.462 6.494 1.00 0.00 N ATOM 585 CA SER A 256 -3.841 -23.189 7.523 1.00 0.00 C ATOM 586 C SER A 256 -3.607 -22.292 8.770 1.00 0.00 C ATOM 587 O SER A 256 -3.366 -21.082 8.644 1.00 0.00 O ATOM 588 CB SER A 256 -2.497 -23.677 6.926 1.00 0.00 C ATOM 589 OG SER A 256 -2.704 -24.474 5.772 1.00 0.00 O ATOM 0 H SER A 256 -4.035 -22.162 5.700 1.00 0.00 H new ATOM 0 HA SER A 256 -4.416 -24.057 7.847 1.00 0.00 H new ATOM 0 HB2 SER A 256 -1.877 -22.818 6.670 1.00 0.00 H new ATOM 0 HB3 SER A 256 -1.952 -24.252 7.674 1.00 0.00 H new ATOM 0 HG SER A 256 -1.839 -24.766 5.416 1.00 0.00 H new ATOM 595 N ALA A 257 -3.714 -22.897 9.962 1.00 0.00 N ATOM 596 CA ALA A 257 -3.478 -22.217 11.252 1.00 0.00 C ATOM 597 C ALA A 257 -1.974 -21.939 11.475 1.00 0.00 C ATOM 598 O ALA A 257 -1.596 -20.936 12.098 1.00 0.00 O ATOM 599 CB ALA A 257 -4.058 -23.062 12.392 1.00 0.00 C ATOM 0 H ALA A 257 -3.969 -23.880 10.063 1.00 0.00 H new ATOM 0 HA ALA A 257 -3.983 -21.251 11.235 1.00 0.00 H new ATOM 0 HB1 ALA A 257 -3.883 -22.559 13.343 1.00 0.00 H new ATOM 0 HB2 ALA A 257 -5.130 -23.190 12.241 1.00 0.00 H new ATOM 0 HB3 ALA A 257 -3.574 -24.039 12.404 1.00 0.00 H new ATOM 605 N SER A 258 -1.133 -22.841 10.936 1.00 0.00 N ATOM 606 CA SER A 258 0.335 -22.745 11.011 1.00 0.00 C ATOM 607 C SER A 258 0.847 -21.518 10.241 1.00 0.00 C ATOM 608 O SER A 258 1.734 -20.801 10.717 1.00 0.00 O ATOM 609 CB SER A 258 0.970 -24.033 10.441 1.00 0.00 C ATOM 610 OG SER A 258 2.389 -24.008 10.525 1.00 0.00 O ATOM 0 H SER A 258 -1.458 -23.665 10.431 1.00 0.00 H new ATOM 0 HA SER A 258 0.621 -22.631 12.057 1.00 0.00 H new ATOM 0 HB2 SER A 258 0.589 -24.897 10.986 1.00 0.00 H new ATOM 0 HB3 SER A 258 0.670 -24.155 9.400 1.00 0.00 H new ATOM 0 HG SER A 258 2.753 -24.840 10.156 1.00 0.00 H new ATOM 616 N SER A 259 0.258 -21.290 9.049 1.00 0.00 N ATOM 617 CA SER A 259 0.648 -20.195 8.152 1.00 0.00 C ATOM 618 C SER A 259 0.270 -18.823 8.747 1.00 0.00 C ATOM 619 O SER A 259 1.058 -17.886 8.638 1.00 0.00 O ATOM 620 CB SER A 259 0.018 -20.393 6.751 1.00 0.00 C ATOM 621 OG SER A 259 -1.349 -20.721 6.849 1.00 0.00 O ATOM 0 H SER A 259 -0.503 -21.864 8.685 1.00 0.00 H new ATOM 0 HA SER A 259 1.732 -20.214 8.043 1.00 0.00 H new ATOM 0 HB2 SER A 259 0.135 -19.482 6.165 1.00 0.00 H new ATOM 0 HB3 SER A 259 0.547 -21.184 6.220 1.00 0.00 H new ATOM 0 HG SER A 259 -1.658 -20.565 7.766 1.00 0.00 H new ATOM 627 N VAL A 260 -0.924 -18.712 9.391 1.00 0.00 N ATOM 628 CA VAL A 260 -1.365 -17.431 10.010 1.00 0.00 C ATOM 629 C VAL A 260 -0.549 -17.119 11.283 1.00 0.00 C ATOM 630 O VAL A 260 -0.240 -15.949 11.551 1.00 0.00 O ATOM 631 CB VAL A 260 -2.919 -17.377 10.315 1.00 0.00 C ATOM 632 CG1 VAL A 260 -3.736 -17.577 9.021 1.00 0.00 C ATOM 633 CG2 VAL A 260 -3.358 -18.384 11.408 1.00 0.00 C ATOM 0 H VAL A 260 -1.588 -19.479 9.494 1.00 0.00 H new ATOM 0 HA VAL A 260 -1.172 -16.659 9.265 1.00 0.00 H new ATOM 0 HB VAL A 260 -3.124 -16.383 10.713 1.00 0.00 H new ATOM 0 HG11 VAL A 260 -4.800 -17.536 9.253 1.00 0.00 H new ATOM 0 HG12 VAL A 260 -3.489 -16.789 8.309 1.00 0.00 H new ATOM 0 HG13 VAL A 260 -3.496 -18.547 8.586 1.00 0.00 H new ATOM 0 HG21 VAL A 260 -4.432 -18.298 11.571 1.00 0.00 H new ATOM 0 HG22 VAL A 260 -3.120 -19.398 11.086 1.00 0.00 H new ATOM 0 HG23 VAL A 260 -2.831 -18.165 12.337 1.00 0.00 H new ATOM 643 N LYS A 261 -0.185 -18.172 12.042 1.00 0.00 N ATOM 644 CA LYS A 261 0.639 -18.042 13.255 1.00 0.00 C ATOM 645 C LYS A 261 2.040 -17.520 12.914 1.00 0.00 C ATOM 646 O LYS A 261 2.532 -16.554 13.521 1.00 0.00 O ATOM 647 CB LYS A 261 0.740 -19.402 13.990 1.00 0.00 C ATOM 648 CG LYS A 261 1.571 -19.348 15.295 1.00 0.00 C ATOM 649 CD LYS A 261 1.613 -20.691 16.044 1.00 0.00 C ATOM 650 CE LYS A 261 2.359 -20.595 17.390 1.00 0.00 C ATOM 651 NZ LYS A 261 2.426 -21.908 18.082 1.00 0.00 N ATOM 0 H LYS A 261 -0.454 -19.133 11.830 1.00 0.00 H new ATOM 0 HA LYS A 261 0.156 -17.321 13.914 1.00 0.00 H new ATOM 0 HB2 LYS A 261 -0.265 -19.753 14.225 1.00 0.00 H new ATOM 0 HB3 LYS A 261 1.185 -20.136 13.317 1.00 0.00 H new ATOM 0 HG2 LYS A 261 2.589 -19.040 15.057 1.00 0.00 H new ATOM 0 HG3 LYS A 261 1.153 -18.586 15.953 1.00 0.00 H new ATOM 0 HD2 LYS A 261 0.594 -21.036 16.221 1.00 0.00 H new ATOM 0 HD3 LYS A 261 2.098 -21.438 15.416 1.00 0.00 H new ATOM 0 HE2 LYS A 261 3.369 -20.223 17.219 1.00 0.00 H new ATOM 0 HE3 LYS A 261 1.857 -19.871 18.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 261 2.935 -21.800 18.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 261 1.462 -22.252 18.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 261 2.928 -22.592 17.480 1.00 0.00 H new ATOM 665 N ASP A 262 2.653 -18.173 11.921 1.00 0.00 N ATOM 666 CA ASP A 262 3.985 -17.825 11.412 1.00 0.00 C ATOM 667 C ASP A 262 3.989 -16.415 10.807 1.00 0.00 C ATOM 668 O ASP A 262 4.950 -15.664 10.985 1.00 0.00 O ATOM 669 CB ASP A 262 4.416 -18.867 10.358 1.00 0.00 C ATOM 670 CG ASP A 262 5.769 -18.556 9.690 1.00 0.00 C ATOM 671 OD1 ASP A 262 6.824 -18.692 10.354 1.00 0.00 O ATOM 672 OD2 ASP A 262 5.784 -18.197 8.488 1.00 0.00 O ATOM 0 H ASP A 262 2.233 -18.969 11.441 1.00 0.00 H new ATOM 0 HA ASP A 262 4.694 -17.833 12.240 1.00 0.00 H new ATOM 0 HB2 ASP A 262 4.473 -19.847 10.832 1.00 0.00 H new ATOM 0 HB3 ASP A 262 3.647 -18.930 9.588 1.00 0.00 H new ATOM 677 N ARG A 263 2.890 -16.075 10.107 1.00 0.00 N ATOM 678 CA ARG A 263 2.733 -14.782 9.416 1.00 0.00 C ATOM 679 C ARG A 263 2.687 -13.616 10.420 1.00 0.00 C ATOM 680 O ARG A 263 3.291 -12.571 10.179 1.00 0.00 O ATOM 681 CB ARG A 263 1.466 -14.798 8.519 1.00 0.00 C ATOM 682 CG ARG A 263 1.301 -13.582 7.576 1.00 0.00 C ATOM 683 CD ARG A 263 2.535 -13.326 6.683 1.00 0.00 C ATOM 684 NE ARG A 263 2.992 -14.544 5.980 1.00 0.00 N ATOM 685 CZ ARG A 263 4.079 -14.620 5.204 1.00 0.00 C ATOM 686 NH1 ARG A 263 4.815 -13.549 4.951 1.00 0.00 N ATOM 687 NH2 ARG A 263 4.435 -15.784 4.699 1.00 0.00 N ATOM 0 H ARG A 263 2.084 -16.692 10.005 1.00 0.00 H new ATOM 0 HA ARG A 263 3.603 -14.629 8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 263 1.482 -15.705 7.914 1.00 0.00 H new ATOM 0 HB3 ARG A 263 0.588 -14.859 9.162 1.00 0.00 H new ATOM 0 HG2 ARG A 263 0.429 -13.740 6.941 1.00 0.00 H new ATOM 0 HG3 ARG A 263 1.104 -12.692 8.174 1.00 0.00 H new ATOM 0 HD2 ARG A 263 2.294 -12.557 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 263 3.348 -12.938 7.296 1.00 0.00 H new ATOM 0 HE ARG A 263 2.436 -15.391 6.096 1.00 0.00 H new ATOM 0 HH11 ARG A 263 4.557 -12.647 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 263 5.641 -13.626 4.357 1.00 0.00 H new ATOM 0 HH21 ARG A 263 3.883 -16.618 4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 263 5.262 -15.851 4.106 1.00 0.00 H new ATOM 701 N CYS A 264 1.976 -13.822 11.539 1.00 0.00 N ATOM 702 CA CYS A 264 1.908 -12.843 12.643 1.00 0.00 C ATOM 703 C CYS A 264 3.288 -12.684 13.294 1.00 0.00 C ATOM 704 O CYS A 264 3.728 -11.565 13.547 1.00 0.00 O ATOM 705 CB CYS A 264 0.888 -13.309 13.698 1.00 0.00 C ATOM 706 SG CYS A 264 0.636 -12.166 15.079 1.00 0.00 S ATOM 0 H CYS A 264 1.432 -14.668 11.707 1.00 0.00 H new ATOM 0 HA CYS A 264 1.592 -11.881 12.239 1.00 0.00 H new ATOM 0 HB2 CYS A 264 -0.070 -13.476 13.206 1.00 0.00 H new ATOM 0 HB3 CYS A 264 1.214 -14.270 14.097 1.00 0.00 H new ATOM 0 HG CYS A 264 1.667 -11.382 15.187 1.00 0.00 H new ATOM 712 N ARG A 265 3.961 -13.833 13.530 1.00 0.00 N ATOM 713 CA ARG A 265 5.285 -13.897 14.186 1.00 0.00 C ATOM 714 C ARG A 265 6.344 -13.072 13.411 1.00 0.00 C ATOM 715 O ARG A 265 7.075 -12.273 14.015 1.00 0.00 O ATOM 716 CB ARG A 265 5.734 -15.383 14.316 1.00 0.00 C ATOM 717 CG ARG A 265 7.167 -15.608 14.867 1.00 0.00 C ATOM 718 CD ARG A 265 7.373 -15.033 16.279 1.00 0.00 C ATOM 719 NE ARG A 265 8.756 -15.244 16.760 1.00 0.00 N ATOM 720 CZ ARG A 265 9.323 -14.619 17.806 1.00 0.00 C ATOM 721 NH1 ARG A 265 8.655 -13.709 18.494 1.00 0.00 N ATOM 722 NH2 ARG A 265 10.559 -14.912 18.161 1.00 0.00 N ATOM 0 H ARG A 265 3.597 -14.749 13.268 1.00 0.00 H new ATOM 0 HA ARG A 265 5.197 -13.459 15.180 1.00 0.00 H new ATOM 0 HB2 ARG A 265 5.029 -15.901 14.967 1.00 0.00 H new ATOM 0 HB3 ARG A 265 5.665 -15.851 13.334 1.00 0.00 H new ATOM 0 HG2 ARG A 265 7.379 -16.677 14.883 1.00 0.00 H new ATOM 0 HG3 ARG A 265 7.886 -15.151 14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 265 7.148 -13.966 16.274 1.00 0.00 H new ATOM 0 HD3 ARG A 265 6.672 -15.503 16.969 1.00 0.00 H new ATOM 0 HE ARG A 265 9.328 -15.921 16.255 1.00 0.00 H new ATOM 0 HH11 ARG A 265 7.697 -13.474 18.233 1.00 0.00 H new ATOM 0 HH12 ARG A 265 9.097 -13.242 19.286 1.00 0.00 H new ATOM 0 HH21 ARG A 265 11.086 -15.614 17.641 1.00 0.00 H new ATOM 0 HH22 ARG A 265 10.988 -14.437 18.955 1.00 0.00 H new