USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 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 51 ASN : amide:sc= -2.02 K(o=-2.2,f=-6.4!) USER MOD Set 1.2: A 53 GLN : amide:sc= -0.184 K(o=-2.2,f=-2.8) USER MOD Single : A 20 LYS NZ :NH3+ -164:sc= -0.0268 (180deg=-0.271) USER MOD Single : A 23 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.56) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 173:sc= -2.8! (180deg=-2.89) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 59 ASN : amide:sc= -0.111 X(o=-0.11,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 13:sc= 0.334! USER MOD Single : A 69 HIS : no HD1:sc= -1.66 K(o=-1.7,f=-2.3) USER MOD Single : A 71 LYS NZ :NH3+ -160:sc= -0.0447 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 1.903 -9.451 -3.333 1.00 0.00 N ATOM 177 CA PRO A 16 1.341 -8.224 -2.761 1.00 0.00 C ATOM 178 C PRO A 16 1.292 -7.083 -3.771 1.00 0.00 C ATOM 179 O PRO A 16 2.195 -6.930 -4.594 1.00 0.00 O ATOM 180 CB PRO A 16 2.308 -7.889 -1.622 1.00 0.00 C ATOM 181 CG PRO A 16 3.597 -8.521 -2.021 1.00 0.00 C ATOM 182 CD PRO A 16 3.230 -9.767 -2.778 1.00 0.00 C ATOM 0 HA PRO A 16 0.309 -8.361 -2.437 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.417 -6.811 -1.499 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.951 -8.284 -0.671 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.187 -7.847 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.202 -8.760 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.952 -9.987 -3.564 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.195 -10.639 -2.124 1.00 0.00 H new ATOM 190 N VAL A 17 0.232 -6.283 -3.703 1.00 0.00 N ATOM 191 CA VAL A 17 0.067 -5.155 -4.610 1.00 0.00 C ATOM 192 C VAL A 17 0.959 -3.987 -4.204 1.00 0.00 C ATOM 193 O VAL A 17 1.192 -3.753 -3.018 1.00 0.00 O ATOM 194 CB VAL A 17 -1.397 -4.678 -4.651 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.556 -3.523 -5.628 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.322 -5.828 -5.019 1.00 0.00 C ATOM 0 H VAL A 17 -0.525 -6.396 -3.029 1.00 0.00 H new ATOM 0 HA VAL A 17 0.357 -5.502 -5.602 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.672 -4.323 -3.658 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.597 -3.200 -5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.923 -2.693 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.262 -3.848 -6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.352 -5.473 -5.043 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.048 -6.215 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.229 -6.621 -4.277 1.00 0.00 H new ATOM 206 N PHE A 18 1.456 -3.256 -5.197 1.00 0.00 N ATOM 207 CA PHE A 18 2.323 -2.112 -4.943 1.00 0.00 C ATOM 208 C PHE A 18 1.752 -0.846 -5.575 1.00 0.00 C ATOM 209 O PHE A 18 1.172 -0.888 -6.659 1.00 0.00 O ATOM 210 CB PHE A 18 3.728 -2.379 -5.489 1.00 0.00 C ATOM 211 CG PHE A 18 4.437 -3.505 -4.793 1.00 0.00 C ATOM 212 CD1 PHE A 18 5.065 -3.298 -3.576 1.00 0.00 C ATOM 213 CD2 PHE A 18 4.477 -4.770 -5.357 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.719 -4.332 -2.932 1.00 0.00 C ATOM 215 CE2 PHE A 18 5.129 -5.808 -4.718 1.00 0.00 C ATOM 216 CZ PHE A 18 5.751 -5.589 -3.505 1.00 0.00 C ATOM 0 H PHE A 18 1.273 -3.436 -6.184 1.00 0.00 H new ATOM 0 HA PHE A 18 2.381 -1.964 -3.865 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.659 -2.606 -6.553 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.324 -1.471 -5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.044 -2.317 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.993 -4.947 -6.306 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.204 -4.158 -1.983 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.152 -6.790 -5.167 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.262 -6.399 -3.005 1.00 0.00 H new ATOM 226 N ALA A 19 1.921 0.279 -4.888 1.00 0.00 N ATOM 227 CA ALA A 19 1.425 1.558 -5.381 1.00 0.00 C ATOM 228 C ALA A 19 2.375 2.693 -5.018 1.00 0.00 C ATOM 229 O ALA A 19 2.753 2.854 -3.857 1.00 0.00 O ATOM 230 CB ALA A 19 0.035 1.833 -4.827 1.00 0.00 C ATOM 0 H ALA A 19 2.398 0.331 -3.988 1.00 0.00 H new ATOM 0 HA ALA A 19 1.367 1.502 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.324 2.791 -5.203 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.645 1.042 -5.142 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.077 1.863 -3.738 1.00 0.00 H new ATOM 236 N LYS A 20 2.760 3.479 -6.018 1.00 0.00 N ATOM 237 CA LYS A 20 3.667 4.601 -5.804 1.00 0.00 C ATOM 238 C LYS A 20 2.894 5.862 -5.433 1.00 0.00 C ATOM 239 O LYS A 20 2.168 6.421 -6.255 1.00 0.00 O ATOM 240 CB LYS A 20 4.504 4.853 -7.061 1.00 0.00 C ATOM 241 CG LYS A 20 5.145 6.229 -7.098 1.00 0.00 C ATOM 242 CD LYS A 20 5.966 6.428 -8.361 1.00 0.00 C ATOM 243 CE LYS A 20 7.239 5.595 -8.336 1.00 0.00 C ATOM 244 NZ LYS A 20 8.189 6.067 -7.292 1.00 0.00 N ATOM 0 H LYS A 20 2.458 3.360 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 20 4.331 4.347 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.285 4.096 -7.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.870 4.733 -7.940 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.370 6.994 -7.042 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.783 6.358 -6.224 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.369 6.155 -9.231 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.222 7.482 -8.468 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.986 4.551 -8.152 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.721 5.639 -9.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.132 5.669 -7.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.241 7.105 -7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.859 5.756 -6.356 1.00 0.00 H new ATOM 258 N ALA A 21 3.057 6.307 -4.191 1.00 0.00 N ATOM 259 CA ALA A 21 2.377 7.504 -3.714 1.00 0.00 C ATOM 260 C ALA A 21 2.728 8.714 -4.573 1.00 0.00 C ATOM 261 O ALA A 21 3.863 9.190 -4.557 1.00 0.00 O ATOM 262 CB ALA A 21 2.732 7.767 -2.258 1.00 0.00 C ATOM 0 H ALA A 21 3.654 5.856 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 21 1.303 7.337 -3.790 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.217 8.664 -1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.425 6.917 -1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.809 7.909 -2.166 1.00 0.00 H new ATOM 268 N ILE A 22 1.747 9.206 -5.322 1.00 0.00 N ATOM 269 CA ILE A 22 1.953 10.361 -6.187 1.00 0.00 C ATOM 270 C ILE A 22 1.911 11.660 -5.389 1.00 0.00 C ATOM 271 O ILE A 22 2.471 12.674 -5.806 1.00 0.00 O ATOM 272 CB ILE A 22 0.895 10.423 -7.304 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.511 10.307 -6.712 1.00 0.00 C ATOM 274 CG2 ILE A 22 1.138 9.322 -8.326 1.00 0.00 C ATOM 275 CD1 ILE A 22 -1.602 10.780 -7.648 1.00 0.00 C ATOM 0 H ILE A 22 0.802 8.823 -5.347 1.00 0.00 H new ATOM 0 HA ILE A 22 2.939 10.246 -6.638 1.00 0.00 H new ATOM 0 HB ILE A 22 0.978 11.385 -7.809 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.699 9.267 -6.444 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.557 10.887 -5.790 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.382 9.379 -9.109 1.00 0.00 H new ATOM 0 HG22 ILE A 22 2.127 9.447 -8.767 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.079 8.351 -7.835 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.572 10.669 -7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.439 11.829 -7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.583 10.184 -8.560 1.00 0.00 H new ATOM 287 N GLN A 23 1.244 11.621 -4.240 1.00 0.00 N ATOM 288 CA GLN A 23 1.130 12.795 -3.383 1.00 0.00 C ATOM 289 C GLN A 23 1.759 12.536 -2.018 1.00 0.00 C ATOM 290 O GLN A 23 2.151 11.412 -1.706 1.00 0.00 O ATOM 291 CB GLN A 23 -0.338 13.189 -3.215 1.00 0.00 C ATOM 292 CG GLN A 23 -0.884 14.012 -4.371 1.00 0.00 C ATOM 293 CD GLN A 23 -0.005 15.201 -4.707 1.00 0.00 C ATOM 294 OE1 GLN A 23 0.785 15.156 -5.651 1.00 0.00 O ATOM 295 NE2 GLN A 23 -0.138 16.273 -3.935 1.00 0.00 N ATOM 0 H GLN A 23 0.775 10.790 -3.881 1.00 0.00 H new ATOM 0 HA GLN A 23 1.667 13.615 -3.860 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -0.938 12.285 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.450 13.757 -2.291 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.981 13.376 -5.251 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.885 14.364 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.805 16.266 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.427 17.103 -4.113 1.00 0.00 H new ATOM 304 N LYS A 24 1.854 13.585 -1.207 1.00 0.00 N ATOM 305 CA LYS A 24 2.435 13.472 0.125 1.00 0.00 C ATOM 306 C LYS A 24 1.367 13.120 1.156 1.00 0.00 C ATOM 307 O LYS A 24 0.405 13.865 1.346 1.00 0.00 O ATOM 308 CB LYS A 24 3.124 14.781 0.516 1.00 0.00 C ATOM 309 CG LYS A 24 4.111 14.631 1.661 1.00 0.00 C ATOM 310 CD LYS A 24 4.839 15.934 1.944 1.00 0.00 C ATOM 311 CE LYS A 24 4.072 16.797 2.935 1.00 0.00 C ATOM 312 NZ LYS A 24 4.657 18.161 3.052 1.00 0.00 N ATOM 0 H LYS A 24 1.536 14.523 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 24 3.174 12.671 0.105 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.647 15.180 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.365 15.512 0.795 1.00 0.00 H new ATOM 0 HG2 LYS A 24 3.583 14.306 2.557 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.836 13.854 1.418 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.832 15.719 2.339 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.979 16.484 1.013 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.031 16.874 2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.074 16.316 3.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.106 18.717 3.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.642 18.089 3.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.632 18.630 2.124 1.00 0.00 H new ATOM 326 N ARG A 25 1.543 11.982 1.820 1.00 0.00 N ATOM 327 CA ARG A 25 0.595 11.533 2.831 1.00 0.00 C ATOM 328 C ARG A 25 1.146 11.766 4.235 1.00 0.00 C ATOM 329 O ARG A 25 2.140 11.157 4.632 1.00 0.00 O ATOM 330 CB ARG A 25 0.274 10.050 2.637 1.00 0.00 C ATOM 331 CG ARG A 25 -0.760 9.786 1.555 1.00 0.00 C ATOM 332 CD ARG A 25 -2.176 9.937 2.088 1.00 0.00 C ATOM 333 NE ARG A 25 -2.351 11.183 2.830 1.00 0.00 N ATOM 334 CZ ARG A 25 -2.210 11.280 4.147 1.00 0.00 C ATOM 335 NH1 ARG A 25 -1.892 10.211 4.864 1.00 0.00 N ATOM 336 NH2 ARG A 25 -2.386 12.449 4.750 1.00 0.00 N ATOM 0 H ARG A 25 2.334 11.354 1.675 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.320 12.114 2.718 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.192 9.518 2.388 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.086 9.639 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.606 10.478 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.625 8.780 1.159 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.881 9.908 1.257 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.411 9.093 2.736 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.595 12.025 2.308 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.755 9.311 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.784 10.289 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.630 13.274 4.202 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.278 12.523 5.762 1.00 0.00 H new ATOM 350 N VAL A 26 0.494 12.651 4.982 1.00 0.00 N ATOM 351 CA VAL A 26 0.918 12.964 6.341 1.00 0.00 C ATOM 352 C VAL A 26 -0.247 12.856 7.319 1.00 0.00 C ATOM 353 O VAL A 26 -1.252 13.558 7.206 1.00 0.00 O ATOM 354 CB VAL A 26 1.518 14.380 6.430 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.894 14.712 7.866 1.00 0.00 C ATOM 356 CG2 VAL A 26 2.725 14.505 5.512 1.00 0.00 C ATOM 0 H VAL A 26 -0.330 13.164 4.669 1.00 0.00 H new ATOM 0 HA VAL A 26 1.683 12.235 6.609 1.00 0.00 H new ATOM 0 HB VAL A 26 0.765 15.096 6.102 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.316 15.716 7.909 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.005 14.665 8.495 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.631 13.993 8.225 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.137 15.511 5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.483 13.780 5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.421 14.313 4.483 1.00 0.00 H new ATOM 366 N PRO A 27 -0.111 11.956 8.304 1.00 0.00 N ATOM 367 CA PRO A 27 -1.143 11.734 9.322 1.00 0.00 C ATOM 368 C PRO A 27 -1.270 12.911 10.283 1.00 0.00 C ATOM 369 O PRO A 27 -0.331 13.688 10.456 1.00 0.00 O ATOM 370 CB PRO A 27 -0.648 10.490 10.063 1.00 0.00 C ATOM 371 CG PRO A 27 0.828 10.491 9.862 1.00 0.00 C ATOM 372 CD PRO A 27 1.060 11.084 8.500 1.00 0.00 C ATOM 0 HA PRO A 27 -2.133 11.618 8.881 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.903 10.532 11.122 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.101 9.584 9.662 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.326 11.078 10.633 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.231 9.480 9.921 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.992 11.648 8.461 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.121 10.314 7.731 1.00 0.00 H new ATOM 380 N CYS A 28 -2.437 13.037 10.905 1.00 0.00 N ATOM 381 CA CYS A 28 -2.688 14.120 11.849 1.00 0.00 C ATOM 382 C CYS A 28 -1.949 13.880 13.161 1.00 0.00 C ATOM 383 O CYS A 28 -1.396 12.803 13.386 1.00 0.00 O ATOM 384 CB CYS A 28 -4.188 14.259 12.112 1.00 0.00 C ATOM 385 SG CYS A 28 -5.034 15.390 10.984 1.00 0.00 S ATOM 0 H CYS A 28 -3.224 12.402 10.773 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.317 15.045 11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -4.652 13.275 12.038 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.336 14.605 13.135 1.00 0.00 H new ATOM 0 HG CYS A 28 -6.298 15.438 11.285 1.00 0.00 H new ATOM 391 N ALA A 29 -1.942 14.891 14.024 1.00 0.00 N ATOM 392 CA ALA A 29 -1.271 14.789 15.314 1.00 0.00 C ATOM 393 C ALA A 29 -1.630 13.485 16.018 1.00 0.00 C ATOM 394 O ALA A 29 -0.750 12.725 16.425 1.00 0.00 O ATOM 395 CB ALA A 29 -1.629 15.980 16.191 1.00 0.00 C ATOM 0 H ALA A 29 -2.393 15.790 13.853 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.195 14.792 15.137 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.121 15.891 17.151 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.316 16.901 15.699 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.707 16.003 16.352 1.00 0.00 H new ATOM 401 N TYR A 30 -2.926 13.232 16.160 1.00 0.00 N ATOM 402 CA TYR A 30 -3.401 12.021 16.818 1.00 0.00 C ATOM 403 C TYR A 30 -3.966 11.034 15.801 1.00 0.00 C ATOM 404 O TYR A 30 -5.109 10.591 15.917 1.00 0.00 O ATOM 405 CB TYR A 30 -4.468 12.365 17.858 1.00 0.00 C ATOM 406 CG TYR A 30 -5.438 13.432 17.401 1.00 0.00 C ATOM 407 CD1 TYR A 30 -5.145 14.780 17.561 1.00 0.00 C ATOM 408 CD2 TYR A 30 -6.647 13.090 16.806 1.00 0.00 C ATOM 409 CE1 TYR A 30 -6.028 15.758 17.146 1.00 0.00 C ATOM 410 CE2 TYR A 30 -7.535 14.061 16.386 1.00 0.00 C ATOM 411 CZ TYR A 30 -7.222 15.393 16.558 1.00 0.00 C ATOM 412 OH TYR A 30 -8.103 16.364 16.141 1.00 0.00 O ATOM 0 H TYR A 30 -3.667 13.850 15.828 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.553 11.554 17.318 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.025 11.462 18.107 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.978 12.699 18.772 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.210 15.069 18.018 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.896 12.048 16.670 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.785 16.802 17.281 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -8.470 13.778 15.925 1.00 0.00 H new ATOM 0 HH TYR A 30 -8.894 15.941 15.747 1.00 0.00 H new ATOM 422 N ASP A 31 -3.156 10.693 14.805 1.00 0.00 N ATOM 423 CA ASP A 31 -3.573 9.757 13.767 1.00 0.00 C ATOM 424 C ASP A 31 -2.591 8.595 13.657 1.00 0.00 C ATOM 425 O ASP A 31 -1.750 8.561 12.758 1.00 0.00 O ATOM 426 CB ASP A 31 -3.688 10.473 12.420 1.00 0.00 C ATOM 427 CG ASP A 31 -4.732 9.845 11.518 1.00 0.00 C ATOM 428 OD1 ASP A 31 -4.976 8.628 11.651 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.303 10.571 10.677 1.00 0.00 O ATOM 0 H ASP A 31 -2.207 11.050 14.694 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.550 9.359 14.042 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.940 11.520 12.589 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.720 10.455 11.918 1.00 0.00 H new ATOM 434 N LYS A 32 -2.702 7.644 14.578 1.00 0.00 N ATOM 435 CA LYS A 32 -1.825 6.479 14.586 1.00 0.00 C ATOM 436 C LYS A 32 -2.209 5.501 13.480 1.00 0.00 C ATOM 437 O LYS A 32 -1.347 4.870 12.867 1.00 0.00 O ATOM 438 CB LYS A 32 -1.886 5.778 15.945 1.00 0.00 C ATOM 439 CG LYS A 32 -1.532 6.684 17.112 1.00 0.00 C ATOM 440 CD LYS A 32 -1.070 5.884 18.318 1.00 0.00 C ATOM 441 CE LYS A 32 -1.345 6.625 19.618 1.00 0.00 C ATOM 442 NZ LYS A 32 -1.022 5.792 20.810 1.00 0.00 N ATOM 0 H LYS A 32 -3.392 7.657 15.330 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.806 6.822 14.406 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.890 5.381 16.095 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.205 4.927 15.937 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.746 7.377 16.811 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.400 7.285 17.384 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.579 4.920 18.333 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.003 5.680 18.233 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.756 7.542 19.645 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.394 6.919 19.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.223 6.332 21.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.602 4.929 20.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.015 5.533 20.790 1.00 0.00 H new ATOM 456 N THR A 33 -3.509 5.380 13.228 1.00 0.00 N ATOM 457 CA THR A 33 -4.007 4.479 12.197 1.00 0.00 C ATOM 458 C THR A 33 -3.604 4.959 10.807 1.00 0.00 C ATOM 459 O THR A 33 -3.426 4.157 9.891 1.00 0.00 O ATOM 460 CB THR A 33 -5.541 4.349 12.257 1.00 0.00 C ATOM 461 OG1 THR A 33 -6.147 5.640 12.135 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.977 3.699 13.562 1.00 0.00 C ATOM 0 H THR A 33 -4.236 5.895 13.725 1.00 0.00 H new ATOM 0 HA THR A 33 -3.559 3.503 12.387 1.00 0.00 H new ATOM 0 HB THR A 33 -5.864 3.718 11.429 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.122 5.549 12.172 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.064 3.617 13.583 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.537 2.705 13.638 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.643 4.309 14.402 1.00 0.00 H new ATOM 470 N ALA A 34 -3.461 6.272 10.658 1.00 0.00 N ATOM 471 CA ALA A 34 -3.076 6.858 9.380 1.00 0.00 C ATOM 472 C ALA A 34 -1.585 6.669 9.116 1.00 0.00 C ATOM 473 O ALA A 34 -0.744 7.195 9.845 1.00 0.00 O ATOM 474 CB ALA A 34 -3.437 8.335 9.346 1.00 0.00 C ATOM 0 H ALA A 34 -3.606 6.950 11.406 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.626 6.343 8.592 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.144 8.759 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.513 8.450 9.480 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.914 8.856 10.148 1.00 0.00 H new ATOM 480 N LEU A 35 -1.265 5.915 8.070 1.00 0.00 N ATOM 481 CA LEU A 35 0.125 5.656 7.710 1.00 0.00 C ATOM 482 C LEU A 35 0.744 6.868 7.023 1.00 0.00 C ATOM 483 O LEU A 35 0.104 7.521 6.199 1.00 0.00 O ATOM 484 CB LEU A 35 0.216 4.434 6.795 1.00 0.00 C ATOM 485 CG LEU A 35 1.504 3.615 6.894 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.443 2.411 5.968 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.712 4.481 6.569 1.00 0.00 C ATOM 0 H LEU A 35 -1.949 5.472 7.456 1.00 0.00 H new ATOM 0 HA LEU A 35 0.681 5.458 8.626 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.626 3.777 7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.100 4.768 5.764 1.00 0.00 H new ATOM 0 HG LEU A 35 1.606 3.254 7.918 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.368 1.840 6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.600 1.779 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.317 2.749 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.620 3.882 6.644 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.618 4.871 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.765 5.311 7.274 1.00 0.00 H new ATOM 499 N ALA A 36 1.994 7.162 7.366 1.00 0.00 N ATOM 500 CA ALA A 36 2.701 8.293 6.778 1.00 0.00 C ATOM 501 C ALA A 36 3.567 7.849 5.604 1.00 0.00 C ATOM 502 O ALA A 36 4.282 6.850 5.690 1.00 0.00 O ATOM 503 CB ALA A 36 3.552 8.988 7.831 1.00 0.00 C ATOM 0 H ALA A 36 2.538 6.633 8.048 1.00 0.00 H new ATOM 0 HA ALA A 36 1.959 8.998 6.402 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.075 9.831 7.378 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.912 9.348 8.636 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.280 8.284 8.233 1.00 0.00 H new ATOM 509 N LEU A 37 3.499 8.597 4.509 1.00 0.00 N ATOM 510 CA LEU A 37 4.277 8.280 3.316 1.00 0.00 C ATOM 511 C LEU A 37 4.766 9.552 2.631 1.00 0.00 C ATOM 512 O LEU A 37 4.293 10.649 2.928 1.00 0.00 O ATOM 513 CB LEU A 37 3.438 7.453 2.341 1.00 0.00 C ATOM 514 CG LEU A 37 2.748 6.220 2.927 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.530 5.845 2.097 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.720 5.053 3.009 1.00 0.00 C ATOM 0 H LEU A 37 2.913 9.427 4.422 1.00 0.00 H new ATOM 0 HA LEU A 37 5.146 7.698 3.623 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.675 8.101 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.082 7.130 1.523 1.00 0.00 H new ATOM 0 HG LEU A 37 2.414 6.460 3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.052 4.966 2.529 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.824 6.676 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.840 5.625 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.212 4.185 3.428 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.085 4.813 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.561 5.324 3.647 1.00 0.00 H new ATOM 528 N GLU A 38 5.714 9.396 1.712 1.00 0.00 N ATOM 529 CA GLU A 38 6.265 10.533 0.984 1.00 0.00 C ATOM 530 C GLU A 38 5.957 10.426 -0.507 1.00 0.00 C ATOM 531 O GLU A 38 5.390 9.434 -0.965 1.00 0.00 O ATOM 532 CB GLU A 38 7.778 10.619 1.199 1.00 0.00 C ATOM 533 CG GLU A 38 8.530 9.383 0.735 1.00 0.00 C ATOM 534 CD GLU A 38 9.913 9.278 1.347 1.00 0.00 C ATOM 535 OE1 GLU A 38 10.825 9.992 0.880 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.083 8.481 2.293 1.00 0.00 O ATOM 0 H GLU A 38 6.116 8.495 1.454 1.00 0.00 H new ATOM 0 HA GLU A 38 5.798 11.439 1.369 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.163 11.489 0.667 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.977 10.779 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.954 8.494 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.618 9.402 -0.351 1.00 0.00 H new ATOM 543 N VAL A 39 6.335 11.455 -1.259 1.00 0.00 N ATOM 544 CA VAL A 39 6.100 11.477 -2.697 1.00 0.00 C ATOM 545 C VAL A 39 7.098 10.588 -3.431 1.00 0.00 C ATOM 546 O VAL A 39 8.269 10.936 -3.572 1.00 0.00 O ATOM 547 CB VAL A 39 6.195 12.908 -3.260 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.923 12.913 -4.756 1.00 0.00 C ATOM 549 CG2 VAL A 39 5.230 13.831 -2.531 1.00 0.00 C ATOM 0 H VAL A 39 6.805 12.284 -0.896 1.00 0.00 H new ATOM 0 HA VAL A 39 5.091 11.097 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 39 7.208 13.277 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.995 13.932 -5.135 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.657 12.285 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 39 4.922 12.525 -4.945 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.310 14.838 -2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.211 13.467 -2.659 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.477 13.851 -1.470 1.00 0.00 H new ATOM 559 N GLY A 40 6.624 9.436 -3.898 1.00 0.00 N ATOM 560 CA GLY A 40 7.488 8.514 -4.612 1.00 0.00 C ATOM 561 C GLY A 40 7.813 7.277 -3.799 1.00 0.00 C ATOM 562 O GLY A 40 8.888 6.694 -3.945 1.00 0.00 O ATOM 0 H GLY A 40 5.658 9.125 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.006 8.217 -5.543 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.414 9.022 -4.880 1.00 0.00 H new ATOM 566 N ASP A 41 6.884 6.875 -2.938 1.00 0.00 N ATOM 567 CA ASP A 41 7.078 5.699 -2.097 1.00 0.00 C ATOM 568 C ASP A 41 6.171 4.557 -2.544 1.00 0.00 C ATOM 569 O ASP A 41 5.007 4.772 -2.884 1.00 0.00 O ATOM 570 CB ASP A 41 6.803 6.042 -0.632 1.00 0.00 C ATOM 571 CG ASP A 41 7.616 5.193 0.324 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.518 4.469 -0.147 1.00 0.00 O ATOM 573 OD2 ASP A 41 7.350 5.250 1.543 1.00 0.00 O ATOM 0 H ASP A 41 5.989 7.346 -2.804 1.00 0.00 H new ATOM 0 HA ASP A 41 8.115 5.377 -2.198 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.028 7.094 -0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.742 5.905 -0.423 1.00 0.00 H new ATOM 578 N ILE A 42 6.712 3.343 -2.542 1.00 0.00 N ATOM 579 CA ILE A 42 5.951 2.168 -2.947 1.00 0.00 C ATOM 580 C ILE A 42 5.299 1.494 -1.745 1.00 0.00 C ATOM 581 O ILE A 42 5.902 0.638 -1.097 1.00 0.00 O ATOM 582 CB ILE A 42 6.842 1.144 -3.675 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.175 1.636 -5.085 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.154 -0.212 -3.730 1.00 0.00 C ATOM 585 CD1 ILE A 42 7.908 2.959 -5.106 1.00 0.00 C ATOM 0 H ILE A 42 7.674 3.148 -2.265 1.00 0.00 H new ATOM 0 HA ILE A 42 5.176 2.514 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 42 7.773 1.035 -3.119 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.783 0.885 -5.589 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.251 1.733 -5.655 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.796 -0.925 -4.247 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.963 -0.565 -2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.209 -0.119 -4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 42 8.111 3.246 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 42 7.293 3.723 -4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 42 8.849 2.862 -4.564 1.00 0.00 H new ATOM 597 N VAL A 43 4.063 1.884 -1.452 1.00 0.00 N ATOM 598 CA VAL A 43 3.327 1.316 -0.329 1.00 0.00 C ATOM 599 C VAL A 43 2.914 -0.124 -0.615 1.00 0.00 C ATOM 600 O VAL A 43 1.985 -0.375 -1.382 1.00 0.00 O ATOM 601 CB VAL A 43 2.069 2.144 -0.006 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.453 1.688 1.308 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.405 3.627 0.040 1.00 0.00 C ATOM 0 H VAL A 43 3.550 2.592 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 43 3.997 1.336 0.531 1.00 0.00 H new ATOM 0 HB VAL A 43 1.337 1.985 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.565 2.284 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.175 0.637 1.234 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.177 1.816 2.113 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.505 4.197 0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.154 3.807 0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.797 3.941 -0.927 1.00 0.00 H new ATOM 613 N LYS A 44 3.612 -1.068 0.008 1.00 0.00 N ATOM 614 CA LYS A 44 3.318 -2.484 -0.177 1.00 0.00 C ATOM 615 C LYS A 44 2.161 -2.921 0.716 1.00 0.00 C ATOM 616 O LYS A 44 2.311 -3.032 1.933 1.00 0.00 O ATOM 617 CB LYS A 44 4.559 -3.327 0.129 1.00 0.00 C ATOM 618 CG LYS A 44 4.329 -4.821 -0.014 1.00 0.00 C ATOM 619 CD LYS A 44 5.242 -5.616 0.903 1.00 0.00 C ATOM 620 CE LYS A 44 4.605 -5.842 2.266 1.00 0.00 C ATOM 621 NZ LYS A 44 5.510 -6.586 3.185 1.00 0.00 N ATOM 0 H LYS A 44 4.385 -0.878 0.645 1.00 0.00 H new ATOM 0 HA LYS A 44 3.029 -2.637 -1.217 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.366 -3.026 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.891 -3.115 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.289 -5.054 0.216 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.501 -5.119 -1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.472 -6.577 0.444 1.00 0.00 H new ATOM 0 HD3 LYS A 44 6.187 -5.087 1.025 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.347 -4.881 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.675 -6.397 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.039 -6.720 4.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.736 -7.514 2.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.387 -6.045 3.322 1.00 0.00 H new ATOM 635 N VAL A 45 1.008 -3.168 0.104 1.00 0.00 N ATOM 636 CA VAL A 45 -0.174 -3.596 0.843 1.00 0.00 C ATOM 637 C VAL A 45 -0.499 -5.058 0.562 1.00 0.00 C ATOM 638 O VAL A 45 -0.554 -5.483 -0.593 1.00 0.00 O ATOM 639 CB VAL A 45 -1.399 -2.731 0.492 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.546 -2.602 -1.017 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.659 -3.318 1.110 1.00 0.00 C ATOM 0 H VAL A 45 0.867 -3.079 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 45 0.054 -3.476 1.902 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.249 -1.734 0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.417 -1.988 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.653 -2.134 -1.431 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.674 -3.591 -1.456 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.515 -2.695 0.852 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.816 -4.326 0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.550 -3.354 2.194 1.00 0.00 H new ATOM 651 N THR A 46 -0.716 -5.826 1.625 1.00 0.00 N ATOM 652 CA THR A 46 -1.035 -7.242 1.493 1.00 0.00 C ATOM 653 C THR A 46 -2.467 -7.526 1.932 1.00 0.00 C ATOM 654 O THR A 46 -3.142 -8.385 1.365 1.00 0.00 O ATOM 655 CB THR A 46 -0.074 -8.115 2.321 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.372 -7.986 3.715 1.00 0.00 O ATOM 657 CG2 THR A 46 1.373 -7.717 2.067 1.00 0.00 C ATOM 0 H THR A 46 -0.677 -5.491 2.588 1.00 0.00 H new ATOM 0 HA THR A 46 -0.924 -7.493 0.438 1.00 0.00 H new ATOM 0 HB THR A 46 -0.208 -9.153 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.243 -8.546 4.234 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.034 -8.347 2.663 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.605 -7.845 1.010 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.518 -6.673 2.347 1.00 0.00 H new ATOM 665 N ARG A 47 -2.925 -6.798 2.946 1.00 0.00 N ATOM 666 CA ARG A 47 -4.278 -6.972 3.461 1.00 0.00 C ATOM 667 C ARG A 47 -5.214 -5.905 2.903 1.00 0.00 C ATOM 668 O ARG A 47 -4.981 -4.709 3.075 1.00 0.00 O ATOM 669 CB ARG A 47 -4.275 -6.914 4.990 1.00 0.00 C ATOM 670 CG ARG A 47 -4.056 -8.265 5.651 1.00 0.00 C ATOM 671 CD ARG A 47 -4.592 -8.283 7.074 1.00 0.00 C ATOM 672 NE ARG A 47 -6.043 -8.438 7.110 1.00 0.00 N ATOM 673 CZ ARG A 47 -6.668 -9.575 6.824 1.00 0.00 C ATOM 674 NH1 ARG A 47 -5.972 -10.651 6.484 1.00 0.00 N ATOM 675 NH2 ARG A 47 -7.993 -9.637 6.880 1.00 0.00 N ATOM 0 H ARG A 47 -2.379 -6.083 3.427 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.639 -7.950 3.141 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.494 -6.228 5.317 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.225 -6.502 5.331 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.549 -9.042 5.066 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.991 -8.499 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.126 -9.099 7.626 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.314 -7.357 7.578 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.608 -7.629 7.369 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.954 -10.607 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.455 -11.522 6.265 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.532 -8.812 7.143 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.472 -10.510 6.660 1.00 0.00 H new ATOM 689 N MET A 48 -6.274 -6.346 2.233 1.00 0.00 N ATOM 690 CA MET A 48 -7.246 -5.429 1.650 1.00 0.00 C ATOM 691 C MET A 48 -8.629 -5.647 2.253 1.00 0.00 C ATOM 692 O MET A 48 -9.242 -6.696 2.060 1.00 0.00 O ATOM 693 CB MET A 48 -7.304 -5.611 0.132 1.00 0.00 C ATOM 694 CG MET A 48 -6.267 -4.792 -0.619 1.00 0.00 C ATOM 695 SD MET A 48 -4.646 -5.582 -0.649 1.00 0.00 S ATOM 696 CE MET A 48 -3.862 -4.696 -1.993 1.00 0.00 C ATOM 0 H MET A 48 -6.481 -7.333 2.081 1.00 0.00 H new ATOM 0 HA MET A 48 -6.928 -4.411 1.875 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.163 -6.666 -0.105 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.298 -5.335 -0.221 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.608 -4.632 -1.642 1.00 0.00 H new ATOM 0 HG3 MET A 48 -6.180 -3.810 -0.155 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.812 -4.983 -2.055 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.361 -4.941 -2.931 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.935 -3.623 -1.813 1.00 0.00 H new ATOM 706 N ASN A 49 -9.115 -4.649 2.985 1.00 0.00 N ATOM 707 CA ASN A 49 -10.426 -4.733 3.618 1.00 0.00 C ATOM 708 C ASN A 49 -11.536 -4.460 2.607 1.00 0.00 C ATOM 709 O ASN A 49 -11.315 -3.803 1.589 1.00 0.00 O ATOM 710 CB ASN A 49 -10.521 -3.740 4.777 1.00 0.00 C ATOM 711 CG ASN A 49 -9.495 -4.016 5.860 1.00 0.00 C ATOM 712 OD1 ASN A 49 -9.271 -5.165 6.239 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.867 -2.959 6.363 1.00 0.00 N ATOM 0 H ASN A 49 -8.620 -3.773 3.154 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.551 -5.744 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.381 -2.728 4.397 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.521 -3.783 5.208 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.167 -3.082 7.094 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.085 -2.024 6.018 1.00 0.00 H new ATOM 720 N ILE A 50 -12.730 -4.967 2.896 1.00 0.00 N ATOM 721 CA ILE A 50 -13.874 -4.775 2.014 1.00 0.00 C ATOM 722 C ILE A 50 -14.574 -3.451 2.301 1.00 0.00 C ATOM 723 O ILE A 50 -15.802 -3.383 2.342 1.00 0.00 O ATOM 724 CB ILE A 50 -14.892 -5.922 2.156 1.00 0.00 C ATOM 725 CG1 ILE A 50 -15.380 -6.025 3.602 1.00 0.00 C ATOM 726 CG2 ILE A 50 -14.274 -7.238 1.705 1.00 0.00 C ATOM 727 CD1 ILE A 50 -16.716 -6.721 3.742 1.00 0.00 C ATOM 0 H ILE A 50 -12.930 -5.514 3.734 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.488 -4.766 0.995 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.749 -5.708 1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.636 -6.563 4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -15.456 -5.023 4.023 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -15.006 -8.039 1.811 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.972 -7.159 0.661 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -13.401 -7.460 2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.999 -6.757 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -17.473 -6.172 3.182 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -16.640 -7.736 3.351 1.00 0.00 H new ATOM 739 N ASN A 51 -13.784 -2.401 2.496 1.00 0.00 N ATOM 740 CA ASN A 51 -14.328 -1.077 2.778 1.00 0.00 C ATOM 741 C ASN A 51 -13.671 -0.020 1.895 1.00 0.00 C ATOM 742 O ASN A 51 -14.330 0.905 1.422 1.00 0.00 O ATOM 743 CB ASN A 51 -14.126 -0.723 4.252 1.00 0.00 C ATOM 744 CG ASN A 51 -12.808 -0.016 4.502 1.00 0.00 C ATOM 745 OD1 ASN A 51 -12.709 1.204 4.365 1.00 0.00 O ATOM 746 ND2 ASN A 51 -11.786 -0.780 4.870 1.00 0.00 N ATOM 0 H ASN A 51 -12.765 -2.440 2.464 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.396 -1.096 2.559 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.946 -0.086 4.585 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -14.166 -1.633 4.850 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.874 -0.360 5.051 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.913 -1.787 4.971 1.00 0.00 H new ATOM 753 N GLY A 52 -12.367 -0.166 1.677 1.00 0.00 N ATOM 754 CA GLY A 52 -11.643 0.783 0.851 1.00 0.00 C ATOM 755 C GLY A 52 -10.214 0.982 1.314 1.00 0.00 C ATOM 756 O GLY A 52 -9.295 1.052 0.499 1.00 0.00 O ATOM 0 H GLY A 52 -11.800 -0.924 2.057 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.642 0.434 -0.182 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.162 1.741 0.863 1.00 0.00 H new ATOM 760 N GLN A 53 -10.026 1.075 2.627 1.00 0.00 N ATOM 761 CA GLN A 53 -8.698 1.270 3.196 1.00 0.00 C ATOM 762 C GLN A 53 -7.936 -0.050 3.265 1.00 0.00 C ATOM 763 O GLN A 53 -8.441 -1.042 3.789 1.00 0.00 O ATOM 764 CB GLN A 53 -8.805 1.883 4.594 1.00 0.00 C ATOM 765 CG GLN A 53 -9.193 3.353 4.584 1.00 0.00 C ATOM 766 CD GLN A 53 -10.690 3.560 4.462 1.00 0.00 C ATOM 767 OE1 GLN A 53 -11.241 3.553 3.361 1.00 0.00 O ATOM 768 NE2 GLN A 53 -11.357 3.747 5.595 1.00 0.00 N ATOM 0 H GLN A 53 -10.776 1.018 3.316 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.149 1.953 2.547 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.542 1.325 5.171 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.849 1.771 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.838 3.825 5.500 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.692 3.852 3.754 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.860 3.745 6.486 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -12.366 3.892 5.575 1.00 0.00 H new ATOM 777 N TRP A 54 -6.720 -0.053 2.731 1.00 0.00 N ATOM 778 CA TRP A 54 -5.889 -1.251 2.731 1.00 0.00 C ATOM 779 C TRP A 54 -4.772 -1.138 3.762 1.00 0.00 C ATOM 780 O TRP A 54 -4.378 -0.037 4.145 1.00 0.00 O ATOM 781 CB TRP A 54 -5.294 -1.484 1.341 1.00 0.00 C ATOM 782 CG TRP A 54 -6.235 -1.137 0.227 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.580 -1.367 0.188 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.900 -0.500 -1.011 1.00 0.00 C ATOM 785 NE1 TRP A 54 -8.102 -0.911 -0.998 1.00 0.00 N ATOM 786 CE2 TRP A 54 -7.091 -0.374 -1.751 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.709 -0.021 -1.565 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -7.124 0.209 -3.015 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.743 0.557 -2.820 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.944 0.668 -3.533 1.00 0.00 C ATOM 0 H TRP A 54 -6.288 0.760 2.293 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.519 -2.100 2.996 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.386 -0.890 1.238 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.003 -2.530 1.249 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.150 -1.839 0.975 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.083 -0.964 -1.273 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.779 -0.101 -1.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -8.048 0.296 -3.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.829 0.929 -3.258 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.938 1.125 -4.511 1.00 0.00 H new ATOM 801 N GLU A 55 -4.266 -2.284 4.209 1.00 0.00 N ATOM 802 CA GLU A 55 -3.195 -2.312 5.197 1.00 0.00 C ATOM 803 C GLU A 55 -1.848 -2.578 4.532 1.00 0.00 C ATOM 804 O GLU A 55 -1.640 -3.626 3.922 1.00 0.00 O ATOM 805 CB GLU A 55 -3.474 -3.382 6.254 1.00 0.00 C ATOM 806 CG GLU A 55 -2.770 -3.130 7.577 1.00 0.00 C ATOM 807 CD GLU A 55 -3.125 -4.158 8.633 1.00 0.00 C ATOM 808 OE1 GLU A 55 -2.727 -5.331 8.476 1.00 0.00 O ATOM 809 OE2 GLU A 55 -3.802 -3.790 9.616 1.00 0.00 O ATOM 0 H GLU A 55 -4.581 -3.204 3.902 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.156 -1.336 5.680 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.549 -3.436 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.164 -4.353 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.692 -3.137 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.032 -2.136 7.940 1.00 0.00 H new ATOM 816 N GLY A 56 -0.934 -1.619 4.653 1.00 0.00 N ATOM 817 CA GLY A 56 0.381 -1.768 4.059 1.00 0.00 C ATOM 818 C GLY A 56 1.497 -1.442 5.031 1.00 0.00 C ATOM 819 O GLY A 56 1.270 -0.791 6.051 1.00 0.00 O ATOM 0 H GLY A 56 -1.082 -0.742 5.152 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.501 -2.791 3.702 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.459 -1.116 3.189 1.00 0.00 H new ATOM 823 N GLU A 57 2.706 -1.896 4.716 1.00 0.00 N ATOM 824 CA GLU A 57 3.861 -1.650 5.572 1.00 0.00 C ATOM 825 C GLU A 57 4.910 -0.814 4.844 1.00 0.00 C ATOM 826 O GLU A 57 5.442 -1.227 3.813 1.00 0.00 O ATOM 827 CB GLU A 57 4.476 -2.975 6.029 1.00 0.00 C ATOM 828 CG GLU A 57 5.569 -2.810 7.072 1.00 0.00 C ATOM 829 CD GLU A 57 6.485 -4.016 7.151 1.00 0.00 C ATOM 830 OE1 GLU A 57 6.181 -4.943 7.931 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.507 -4.032 6.433 1.00 0.00 O ATOM 0 H GLU A 57 2.911 -2.436 3.875 1.00 0.00 H new ATOM 0 HA GLU A 57 3.522 -1.094 6.446 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.689 -3.610 6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.887 -3.493 5.163 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.160 -1.924 6.837 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.113 -2.640 8.047 1.00 0.00 H new ATOM 838 N VAL A 58 5.201 0.363 5.387 1.00 0.00 N ATOM 839 CA VAL A 58 6.186 1.258 4.791 1.00 0.00 C ATOM 840 C VAL A 58 7.034 1.934 5.863 1.00 0.00 C ATOM 841 O VAL A 58 6.507 2.515 6.810 1.00 0.00 O ATOM 842 CB VAL A 58 5.511 2.340 3.927 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.546 3.316 3.389 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.727 1.702 2.791 1.00 0.00 C ATOM 0 H VAL A 58 4.769 0.720 6.239 1.00 0.00 H new ATOM 0 HA VAL A 58 6.828 0.646 4.157 1.00 0.00 H new ATOM 0 HB VAL A 58 4.813 2.896 4.552 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.051 4.073 2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.059 3.798 4.221 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.271 2.778 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.257 2.481 2.191 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.403 1.120 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.959 1.047 3.202 1.00 0.00 H new ATOM 854 N ASN A 59 8.351 1.854 5.705 1.00 0.00 N ATOM 855 CA ASN A 59 9.274 2.458 6.659 1.00 0.00 C ATOM 856 C ASN A 59 8.951 2.016 8.083 1.00 0.00 C ATOM 857 O ASN A 59 8.868 2.836 8.996 1.00 0.00 O ATOM 858 CB ASN A 59 9.214 3.984 6.561 1.00 0.00 C ATOM 859 CG ASN A 59 10.195 4.538 5.546 1.00 0.00 C ATOM 860 OD1 ASN A 59 11.179 5.185 5.906 1.00 0.00 O ATOM 861 ND2 ASN A 59 9.931 4.285 4.270 1.00 0.00 N ATOM 0 H ASN A 59 8.803 1.377 4.925 1.00 0.00 H new ATOM 0 HA ASN A 59 10.282 2.124 6.414 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.203 4.288 6.289 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.425 4.417 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 59 10.556 4.631 3.542 1.00 0.00 H new ATOM 0 HD22 ASN A 59 9.104 3.744 4.018 1.00 0.00 H new ATOM 868 N GLY A 60 8.769 0.711 8.264 1.00 0.00 N ATOM 869 CA GLY A 60 8.458 0.181 9.579 1.00 0.00 C ATOM 870 C GLY A 60 7.208 0.800 10.173 1.00 0.00 C ATOM 871 O GLY A 60 7.139 1.041 11.378 1.00 0.00 O ATOM 0 H GLY A 60 8.831 0.012 7.524 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.328 -0.899 9.510 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.300 0.359 10.247 1.00 0.00 H new ATOM 875 N ARG A 61 6.218 1.060 9.324 1.00 0.00 N ATOM 876 CA ARG A 61 4.966 1.658 9.772 1.00 0.00 C ATOM 877 C ARG A 61 3.779 1.052 9.029 1.00 0.00 C ATOM 878 O ARG A 61 3.707 1.108 7.801 1.00 0.00 O ATOM 879 CB ARG A 61 4.995 3.172 9.560 1.00 0.00 C ATOM 880 CG ARG A 61 5.884 3.909 10.549 1.00 0.00 C ATOM 881 CD ARG A 61 5.128 4.267 11.818 1.00 0.00 C ATOM 882 NE ARG A 61 6.007 4.314 12.984 1.00 0.00 N ATOM 883 CZ ARG A 61 5.675 4.896 14.131 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.491 5.476 14.266 1.00 0.00 N ATOM 885 NH2 ARG A 61 6.529 4.897 15.147 1.00 0.00 N ATOM 0 H ARG A 61 6.259 0.866 8.323 1.00 0.00 H new ATOM 0 HA ARG A 61 4.852 1.449 10.836 1.00 0.00 H new ATOM 0 HB2 ARG A 61 5.340 3.382 8.548 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.980 3.561 9.638 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.744 3.288 10.800 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.270 4.817 10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 61 4.643 5.235 11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.339 3.535 11.988 1.00 0.00 H new ATOM 0 HE ARG A 61 6.926 3.876 12.914 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.832 5.476 13.488 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.239 5.922 15.148 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.441 4.451 15.047 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.274 5.344 16.028 1.00 0.00 H new ATOM 899 N LYS A 62 2.849 0.473 9.781 1.00 0.00 N ATOM 900 CA LYS A 62 1.665 -0.143 9.196 1.00 0.00 C ATOM 901 C LYS A 62 0.415 0.672 9.514 1.00 0.00 C ATOM 902 O LYS A 62 0.005 0.773 10.669 1.00 0.00 O ATOM 903 CB LYS A 62 1.499 -1.573 9.715 1.00 0.00 C ATOM 904 CG LYS A 62 2.762 -2.409 9.607 1.00 0.00 C ATOM 905 CD LYS A 62 3.645 -2.247 10.834 1.00 0.00 C ATOM 906 CE LYS A 62 4.752 -3.289 10.866 1.00 0.00 C ATOM 907 NZ LYS A 62 4.325 -4.529 11.571 1.00 0.00 N ATOM 0 H LYS A 62 2.893 0.418 10.799 1.00 0.00 H new ATOM 0 HA LYS A 62 1.796 -0.169 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.185 -1.538 10.758 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.700 -2.063 9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.495 -3.459 9.486 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.318 -2.116 8.716 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.083 -1.249 10.839 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.037 -2.333 11.735 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.049 -3.535 9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.629 -2.873 11.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.107 -5.215 11.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.065 -4.299 12.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.504 -4.941 11.083 1.00 0.00 H new ATOM 921 N GLY A 63 -0.188 1.251 8.479 1.00 0.00 N ATOM 922 CA GLY A 63 -1.385 2.048 8.669 1.00 0.00 C ATOM 923 C GLY A 63 -2.256 2.092 7.429 1.00 0.00 C ATOM 924 O GLY A 63 -1.848 1.637 6.359 1.00 0.00 O ATOM 0 H GLY A 63 0.132 1.182 7.513 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.961 1.640 9.499 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.101 3.063 8.946 1.00 0.00 H new ATOM 928 N LEU A 64 -3.458 2.638 7.570 1.00 0.00 N ATOM 929 CA LEU A 64 -4.390 2.738 6.452 1.00 0.00 C ATOM 930 C LEU A 64 -4.102 3.979 5.613 1.00 0.00 C ATOM 931 O LEU A 64 -4.038 5.093 6.134 1.00 0.00 O ATOM 932 CB LEU A 64 -5.830 2.778 6.965 1.00 0.00 C ATOM 933 CG LEU A 64 -6.278 1.579 7.802 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.700 1.780 8.303 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.172 0.295 6.993 1.00 0.00 C ATOM 0 H LEU A 64 -3.811 3.019 8.448 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.260 1.858 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.957 3.681 7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.498 2.867 6.108 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.619 1.496 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.002 0.917 8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.745 2.678 8.919 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.373 1.889 7.453 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.495 -0.548 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.807 0.368 6.110 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.138 0.144 6.684 1.00 0.00 H new ATOM 947 N PHE A 65 -3.932 3.779 4.310 1.00 0.00 N ATOM 948 CA PHE A 65 -3.652 4.882 3.398 1.00 0.00 C ATOM 949 C PHE A 65 -4.707 4.959 2.299 1.00 0.00 C ATOM 950 O PHE A 65 -5.196 3.945 1.800 1.00 0.00 O ATOM 951 CB PHE A 65 -2.263 4.718 2.777 1.00 0.00 C ATOM 952 CG PHE A 65 -2.106 3.452 1.984 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.666 2.288 2.593 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.399 3.427 0.630 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.521 1.121 1.866 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.256 2.263 -0.102 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.815 1.109 0.517 1.00 0.00 C ATOM 0 H PHE A 65 -3.983 2.864 3.862 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.679 5.810 3.970 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.061 5.571 2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.515 4.736 3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.434 2.292 3.648 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.743 4.327 0.141 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.178 0.220 2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.489 2.256 -1.157 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.700 0.199 -0.053 1.00 0.00 H new ATOM 967 N PRO A 66 -5.069 6.191 1.911 1.00 0.00 N ATOM 968 CA PRO A 66 -6.069 6.431 0.867 1.00 0.00 C ATOM 969 C PRO A 66 -5.568 6.036 -0.518 1.00 0.00 C ATOM 970 O PRO A 66 -4.541 6.531 -0.982 1.00 0.00 O ATOM 971 CB PRO A 66 -6.303 7.942 0.940 1.00 0.00 C ATOM 972 CG PRO A 66 -5.043 8.493 1.515 1.00 0.00 C ATOM 973 CD PRO A 66 -4.527 7.445 2.462 1.00 0.00 C ATOM 0 HA PRO A 66 -6.970 5.838 1.023 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.504 8.360 -0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.162 8.180 1.568 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.315 8.703 0.731 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.230 9.432 2.036 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.438 7.433 2.493 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.873 7.619 3.481 1.00 0.00 H new ATOM 981 N PHE A 67 -6.301 5.143 -1.175 1.00 0.00 N ATOM 982 CA PHE A 67 -5.930 4.681 -2.507 1.00 0.00 C ATOM 983 C PHE A 67 -5.959 5.832 -3.509 1.00 0.00 C ATOM 984 O PHE A 67 -5.105 5.925 -4.391 1.00 0.00 O ATOM 985 CB PHE A 67 -6.874 3.567 -2.965 1.00 0.00 C ATOM 986 CG PHE A 67 -8.323 3.867 -2.709 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.050 4.646 -3.594 1.00 0.00 C ATOM 988 CD2 PHE A 67 -8.959 3.368 -1.583 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.384 4.924 -3.361 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.293 3.642 -1.345 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.006 4.420 -2.235 1.00 0.00 C ATOM 0 H PHE A 67 -7.155 4.725 -0.806 1.00 0.00 H new ATOM 0 HA PHE A 67 -4.914 4.289 -2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -6.730 3.395 -4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -6.607 2.642 -2.454 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.569 5.041 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -8.406 2.758 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -10.939 5.534 -4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -10.777 3.248 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.048 4.634 -2.051 1.00 0.00 H new ATOM 1001 N THR A 68 -6.950 6.707 -3.368 1.00 0.00 N ATOM 1002 CA THR A 68 -7.093 7.850 -4.260 1.00 0.00 C ATOM 1003 C THR A 68 -5.830 8.703 -4.268 1.00 0.00 C ATOM 1004 O THR A 68 -5.643 9.546 -5.146 1.00 0.00 O ATOM 1005 CB THR A 68 -8.291 8.731 -3.857 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.167 10.028 -4.449 1.00 0.00 O ATOM 1007 CG2 THR A 68 -8.380 8.864 -2.344 1.00 0.00 C ATOM 0 H THR A 68 -7.666 6.645 -2.644 1.00 0.00 H new ATOM 0 HA THR A 68 -7.265 7.451 -5.260 1.00 0.00 H new ATOM 0 HB THR A 68 -9.202 8.254 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.468 10.009 -5.135 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.233 9.490 -2.083 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.505 7.877 -1.899 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.466 9.320 -1.964 1.00 0.00 H new ATOM 1015 N HIS A 69 -4.964 8.479 -3.284 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.717 9.227 -3.179 1.00 0.00 C ATOM 1017 C HIS A 69 -2.596 8.524 -3.939 1.00 0.00 C ATOM 1018 O HIS A 69 -1.688 9.170 -4.463 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.323 9.400 -1.711 1.00 0.00 C ATOM 1020 CG HIS A 69 -3.919 10.615 -1.070 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -5.279 10.819 -0.962 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -3.332 11.693 -0.500 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -5.502 11.971 -0.355 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -4.337 12.521 -0.064 1.00 0.00 N ATOM 0 H HIS A 69 -5.103 7.786 -2.549 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.873 10.210 -3.624 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -3.633 8.516 -1.154 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.237 9.457 -1.639 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -2.271 11.869 -0.406 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -6.472 12.392 -0.134 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.205 13.416 0.408 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.666 7.198 -3.994 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.658 6.408 -4.690 1.00 0.00 C ATOM 1035 C VAL A 70 -2.160 5.958 -6.057 1.00 0.00 C ATOM 1036 O VAL A 70 -3.362 5.959 -6.321 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.252 5.168 -3.871 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -1.018 5.543 -2.415 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.312 4.083 -3.987 1.00 0.00 C ATOM 0 H VAL A 70 -3.410 6.648 -3.565 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.787 7.050 -4.819 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.318 4.777 -4.275 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.732 4.655 -1.852 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.221 6.284 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.933 5.960 -1.995 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.009 3.214 -3.402 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.262 4.461 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.425 3.795 -5.032 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.230 5.572 -6.925 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.577 5.117 -8.266 1.00 0.00 C ATOM 1051 C LYS A 71 -0.914 3.778 -8.575 1.00 0.00 C ATOM 1052 O LYS A 71 0.302 3.632 -8.443 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.156 6.158 -9.305 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.668 5.863 -10.705 1.00 0.00 C ATOM 1055 CD LYS A 71 -1.106 6.841 -11.722 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.832 8.177 -11.670 1.00 0.00 C ATOM 1057 NZ LYS A 71 -3.238 8.063 -12.147 1.00 0.00 N ATOM 0 H LYS A 71 -0.230 5.565 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.658 4.986 -8.309 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.519 7.137 -8.993 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -0.068 6.215 -9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.394 4.846 -10.987 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.757 5.914 -10.713 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.044 6.995 -11.532 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.193 6.417 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.825 8.555 -10.648 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.299 8.904 -12.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.590 9.003 -12.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.275 7.428 -12.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.833 7.678 -11.386 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.719 2.805 -8.987 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.209 1.480 -9.316 1.00 0.00 C ATOM 1073 C ILE A 72 -0.351 1.519 -10.576 1.00 0.00 C ATOM 1074 O ILE A 72 -0.732 2.121 -11.581 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.354 0.470 -9.519 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.201 0.364 -8.250 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -1.797 -0.892 -9.906 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.443 -0.183 -7.061 1.00 0.00 C ATOM 0 H ILE A 72 -2.727 2.909 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.598 1.159 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 72 -2.991 0.824 -10.330 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.590 1.351 -8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.060 -0.277 -8.449 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.618 -1.595 -10.046 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.233 -0.804 -10.834 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.140 -1.255 -9.115 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.106 -0.230 -6.197 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.076 -1.183 -7.292 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.600 0.470 -6.836 1.00 0.00 H new ATOM 1090 N PHE A 73 0.808 0.872 -10.517 1.00 0.00 N ATOM 1091 CA PHE A 73 1.720 0.831 -11.654 1.00 0.00 C ATOM 1092 C PHE A 73 2.533 -0.460 -11.653 1.00 0.00 C ATOM 1093 O PHE A 73 2.430 -1.271 -10.732 1.00 0.00 O ATOM 1094 CB PHE A 73 2.660 2.038 -11.624 1.00 0.00 C ATOM 1095 CG PHE A 73 3.739 1.932 -10.584 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.417 1.819 -9.241 1.00 0.00 C ATOM 1097 CD2 PHE A 73 5.075 1.947 -10.949 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.407 1.720 -8.282 1.00 0.00 C ATOM 1099 CE2 PHE A 73 6.070 1.848 -9.995 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.735 1.736 -8.659 1.00 0.00 C ATOM 0 H PHE A 73 1.138 0.369 -9.694 1.00 0.00 H new ATOM 0 HA PHE A 73 1.125 0.864 -12.567 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.122 2.153 -12.605 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.075 2.939 -11.439 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.380 1.808 -8.940 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.342 2.037 -11.991 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.142 1.630 -7.239 1.00 0.00 H new ATOM 0 HE2 PHE A 73 7.108 1.858 -10.293 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.511 1.661 -7.911 1.00 0.00 H new ATOM 1110 N ASP A 74 3.339 -0.645 -12.692 1.00 0.00 N ATOM 1111 CA ASP A 74 4.170 -1.837 -12.813 1.00 0.00 C ATOM 1112 C ASP A 74 5.636 -1.507 -12.548 1.00 0.00 C ATOM 1113 O ASP A 74 6.415 -1.247 -13.465 1.00 0.00 O ATOM 1114 CB ASP A 74 4.017 -2.453 -14.205 1.00 0.00 C ATOM 1115 CG ASP A 74 2.853 -3.421 -14.284 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.715 -2.962 -14.518 1.00 0.00 O ATOM 1117 OD2 ASP A 74 3.079 -4.637 -14.113 1.00 0.00 O ATOM 0 H ASP A 74 3.435 0.016 -13.463 1.00 0.00 H new ATOM 0 HA ASP A 74 3.838 -2.558 -12.066 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.875 -1.658 -14.937 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.937 -2.973 -14.472 1.00 0.00 H new