USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 477 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.25 K(o=-0.25,f=-1.6) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.603 K(o=-0.6,f=-6.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -20.5! C(o=-21!,f=-21!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -157:sc= -1.3! USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -5.53! C(o=-5.5!,f=-5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -121:sc= 0.99 USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= 1.09 (180deg=0.0224) USER MOD Single : A 58 ASN : amide:sc= -2.57 K(o=-2.6,f=-0.75) USER MOD Single : A 61 THR OG1 : rot -80:sc= 1.01 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 9 -9.056 -6.469 1.558 1.00 0.00 N ATOM 121 CA LEU A 9 -8.465 -5.358 2.284 1.00 0.00 C ATOM 122 C LEU A 9 -8.108 -4.243 1.321 1.00 0.00 C ATOM 123 O LEU A 9 -7.618 -4.495 0.222 1.00 0.00 O ATOM 124 CB LEU A 9 -7.219 -5.813 3.048 1.00 0.00 C ATOM 125 CG LEU A 9 -7.469 -6.866 4.130 1.00 0.00 C ATOM 126 CD1 LEU A 9 -6.304 -7.841 4.205 1.00 0.00 C ATOM 127 CD2 LEU A 9 -7.697 -6.200 5.478 1.00 0.00 C ATOM 0 HA LEU A 9 -9.194 -4.988 3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -6.499 -6.213 2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.757 -4.941 3.511 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.367 -7.425 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.499 -8.582 4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.187 -8.342 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.390 -7.298 4.445 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.873 -6.963 6.236 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.817 -5.616 5.749 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.564 -5.542 5.417 1.00 0.00 H new ATOM 139 N TYR A 10 -8.349 -3.010 1.734 1.00 0.00 N ATOM 140 CA TYR A 10 -8.045 -1.867 0.896 1.00 0.00 C ATOM 141 C TYR A 10 -6.756 -1.211 1.353 1.00 0.00 C ATOM 142 O TYR A 10 -6.719 -0.527 2.377 1.00 0.00 O ATOM 143 CB TYR A 10 -9.201 -0.871 0.920 1.00 0.00 C ATOM 144 CG TYR A 10 -10.541 -1.514 0.632 1.00 0.00 C ATOM 145 CD1 TYR A 10 -10.870 -1.922 -0.652 1.00 0.00 C ATOM 146 CD2 TYR A 10 -11.471 -1.717 1.641 1.00 0.00 C ATOM 147 CE1 TYR A 10 -12.087 -2.514 -0.925 1.00 0.00 C ATOM 148 CE2 TYR A 10 -12.693 -2.309 1.377 1.00 0.00 C ATOM 149 CZ TYR A 10 -12.995 -2.704 0.092 1.00 0.00 C ATOM 150 OH TYR A 10 -14.210 -3.293 -0.175 1.00 0.00 O ATOM 0 H TYR A 10 -8.753 -2.777 2.641 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.910 -2.207 -0.131 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.238 -0.389 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -9.014 -0.088 0.185 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -10.161 -1.774 -1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.237 -1.408 2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -12.325 -2.826 -1.931 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -13.406 -2.461 2.174 1.00 0.00 H new ATOM 0 HH TYR A 10 -14.733 -3.354 0.652 1.00 0.00 H new ATOM 160 N LYS A 11 -5.702 -1.418 0.580 1.00 0.00 N ATOM 161 CA LYS A 11 -4.399 -0.841 0.894 1.00 0.00 C ATOM 162 C LYS A 11 -3.879 -0.034 -0.288 1.00 0.00 C ATOM 163 O LYS A 11 -4.212 -0.324 -1.437 1.00 0.00 O ATOM 164 CB LYS A 11 -3.402 -1.942 1.259 1.00 0.00 C ATOM 165 CG LYS A 11 -3.947 -2.940 2.271 1.00 0.00 C ATOM 166 CD LYS A 11 -2.977 -4.089 2.498 1.00 0.00 C ATOM 167 CE LYS A 11 -2.867 -4.440 3.973 1.00 0.00 C ATOM 168 NZ LYS A 11 -2.119 -5.709 4.188 1.00 0.00 N ATOM 0 H LYS A 11 -5.720 -1.981 -0.270 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.513 -0.176 1.750 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.113 -2.475 0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.498 -1.485 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -4.140 -2.433 3.216 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -4.901 -3.332 1.919 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.309 -4.963 1.938 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.994 -3.819 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.366 -3.629 4.503 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.866 -4.531 4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.066 -5.913 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.610 -6.488 3.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.157 -5.614 3.804 1.00 0.00 H new ATOM 182 N VAL A 12 -3.059 0.979 -0.013 1.00 0.00 N ATOM 183 CA VAL A 12 -2.513 1.805 -1.083 1.00 0.00 C ATOM 184 C VAL A 12 -1.052 1.435 -1.342 1.00 0.00 C ATOM 185 O VAL A 12 -0.317 1.115 -0.417 1.00 0.00 O ATOM 186 CB VAL A 12 -2.629 3.324 -0.782 1.00 0.00 C ATOM 187 CG1 VAL A 12 -2.971 4.093 -2.040 1.00 0.00 C ATOM 188 CG2 VAL A 12 -3.677 3.620 0.282 1.00 0.00 C ATOM 0 H VAL A 12 -2.763 1.243 0.927 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.108 1.606 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.657 3.643 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.048 5.155 -1.808 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.189 3.940 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.923 3.739 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.722 4.695 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.651 3.267 -0.058 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.409 3.111 1.208 1.00 0.00 H new ATOM 198 N GLN A 13 -0.646 1.454 -2.608 1.00 0.00 N ATOM 199 CA GLN A 13 0.723 1.096 -2.975 1.00 0.00 C ATOM 200 C GLN A 13 1.294 2.067 -4.001 1.00 0.00 C ATOM 201 O GLN A 13 0.646 2.386 -4.997 1.00 0.00 O ATOM 202 CB GLN A 13 0.767 -0.329 -3.526 1.00 0.00 C ATOM 203 CG GLN A 13 2.176 -0.870 -3.701 1.00 0.00 C ATOM 204 CD GLN A 13 2.198 -2.357 -3.997 1.00 0.00 C ATOM 205 OE1 GLN A 13 2.685 -3.155 -3.196 1.00 0.00 O ATOM 206 NE2 GLN A 13 1.668 -2.737 -5.156 1.00 0.00 N ATOM 0 H GLN A 13 -1.241 1.712 -3.395 1.00 0.00 H new ATOM 0 HA GLN A 13 1.336 1.154 -2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.215 -0.987 -2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.255 -0.354 -4.488 1.00 0.00 H new ATOM 0 HG2 GLN A 13 2.668 -0.335 -4.513 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.751 -0.675 -2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 13 1.275 -2.041 -5.790 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.654 -3.724 -5.411 1.00 0.00 H new ATOM 215 N ILE A 14 2.509 2.544 -3.745 1.00 0.00 N ATOM 216 CA ILE A 14 3.155 3.491 -4.645 1.00 0.00 C ATOM 217 C ILE A 14 4.266 2.850 -5.476 1.00 0.00 C ATOM 218 O ILE A 14 4.821 3.500 -6.363 1.00 0.00 O ATOM 219 CB ILE A 14 3.737 4.690 -3.879 1.00 0.00 C ATOM 220 CG1 ILE A 14 4.687 4.202 -2.775 1.00 0.00 C ATOM 221 CG2 ILE A 14 2.615 5.553 -3.319 1.00 0.00 C ATOM 222 CD1 ILE A 14 4.256 4.550 -1.366 1.00 0.00 C ATOM 0 H ILE A 14 3.062 2.291 -2.926 1.00 0.00 H new ATOM 0 HA ILE A 14 2.372 3.833 -5.322 1.00 0.00 H new ATOM 0 HB ILE A 14 4.316 5.308 -4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.786 3.119 -2.853 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.676 4.626 -2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.041 6.398 -2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.995 5.920 -4.137 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.004 4.959 -2.639 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.988 4.165 -0.656 1.00 0.00 H new ATOM 0 HD12 ILE A 14 4.186 5.633 -1.264 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.283 4.103 -1.162 1.00 0.00 H new ATOM 234 N GLY A 15 4.588 1.580 -5.217 1.00 0.00 N ATOM 235 CA GLY A 15 5.629 0.936 -6.004 1.00 0.00 C ATOM 236 C GLY A 15 6.247 -0.285 -5.348 1.00 0.00 C ATOM 237 O GLY A 15 5.983 -0.589 -4.185 1.00 0.00 O ATOM 0 H GLY A 15 4.159 1.000 -4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.211 0.643 -6.967 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.416 1.662 -6.206 1.00 0.00 H new ATOM 241 N ALA A 16 7.103 -0.961 -6.112 1.00 0.00 N ATOM 242 CA ALA A 16 7.823 -2.143 -5.647 1.00 0.00 C ATOM 243 C ALA A 16 9.152 -2.251 -6.392 1.00 0.00 C ATOM 244 O ALA A 16 9.222 -1.933 -7.580 1.00 0.00 O ATOM 245 CB ALA A 16 6.988 -3.402 -5.842 1.00 0.00 C ATOM 0 H ALA A 16 7.317 -0.702 -7.075 1.00 0.00 H new ATOM 0 HA ALA A 16 8.019 -2.043 -4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.547 -4.268 -5.488 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.060 -3.314 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.759 -3.526 -6.900 1.00 0.00 H new ATOM 251 N PHE A 17 10.205 -2.684 -5.709 1.00 0.00 N ATOM 252 CA PHE A 17 11.514 -2.808 -6.346 1.00 0.00 C ATOM 253 C PHE A 17 12.312 -3.960 -5.755 1.00 0.00 C ATOM 254 O PHE A 17 12.158 -4.303 -4.585 1.00 0.00 O ATOM 255 CB PHE A 17 12.306 -1.507 -6.200 1.00 0.00 C ATOM 256 CG PHE A 17 11.470 -0.269 -6.344 1.00 0.00 C ATOM 257 CD1 PHE A 17 10.772 0.241 -5.263 1.00 0.00 C ATOM 258 CD2 PHE A 17 11.381 0.386 -7.564 1.00 0.00 C ATOM 259 CE1 PHE A 17 10.003 1.381 -5.392 1.00 0.00 C ATOM 260 CE2 PHE A 17 10.613 1.526 -7.698 1.00 0.00 C ATOM 261 CZ PHE A 17 9.923 2.025 -6.610 1.00 0.00 C ATOM 0 H PHE A 17 10.182 -2.953 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 17 11.346 -3.012 -7.403 1.00 0.00 H new ATOM 0 HB2 PHE A 17 12.791 -1.495 -5.224 1.00 0.00 H new ATOM 0 HB3 PHE A 17 13.098 -1.489 -6.949 1.00 0.00 H new ATOM 0 HD1 PHE A 17 10.829 -0.258 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 17 11.918 0.000 -8.418 1.00 0.00 H new ATOM 0 HE1 PHE A 17 9.464 1.768 -4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.552 2.027 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 17 9.323 2.917 -6.712 1.00 0.00 H new ATOM 271 N LYS A 18 13.176 -4.550 -6.573 1.00 0.00 N ATOM 272 CA LYS A 18 14.012 -5.661 -6.136 1.00 0.00 C ATOM 273 C LYS A 18 14.924 -5.252 -4.980 1.00 0.00 C ATOM 274 O LYS A 18 15.501 -6.105 -4.306 1.00 0.00 O ATOM 275 CB LYS A 18 14.853 -6.180 -7.304 1.00 0.00 C ATOM 276 CG LYS A 18 14.952 -7.696 -7.358 1.00 0.00 C ATOM 277 CD LYS A 18 16.245 -8.148 -8.019 1.00 0.00 C ATOM 278 CE LYS A 18 16.344 -7.642 -9.450 1.00 0.00 C ATOM 279 NZ LYS A 18 17.606 -8.082 -10.106 1.00 0.00 N ATOM 0 H LYS A 18 13.316 -4.276 -7.546 1.00 0.00 H new ATOM 0 HA LYS A 18 13.354 -6.455 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 18 14.423 -5.819 -8.238 1.00 0.00 H new ATOM 0 HB3 LYS A 18 15.857 -5.761 -7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.898 -8.101 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.101 -8.098 -7.908 1.00 0.00 H new ATOM 0 HD2 LYS A 18 17.096 -7.784 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.298 -9.237 -8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 18 15.491 -8.004 -10.023 1.00 0.00 H new ATOM 0 HE3 LYS A 18 16.292 -6.553 -9.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 17.637 -7.717 -11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 18.420 -7.715 -9.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 17.644 -9.121 -10.124 1.00 0.00 H new ATOM 293 N VAL A 19 15.061 -3.946 -4.758 1.00 0.00 N ATOM 294 CA VAL A 19 15.913 -3.443 -3.689 1.00 0.00 C ATOM 295 C VAL A 19 15.095 -2.904 -2.519 1.00 0.00 C ATOM 296 O VAL A 19 14.182 -2.097 -2.699 1.00 0.00 O ATOM 297 CB VAL A 19 16.845 -2.329 -4.197 1.00 0.00 C ATOM 298 CG1 VAL A 19 17.864 -1.955 -3.131 1.00 0.00 C ATOM 299 CG2 VAL A 19 17.538 -2.755 -5.482 1.00 0.00 C ATOM 0 H VAL A 19 14.594 -3.222 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 19 16.509 -4.289 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 19 16.241 -1.448 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.514 -1.166 -3.510 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.345 -1.602 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 19 18.464 -2.829 -2.879 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.193 -1.954 -5.825 1.00 0.00 H new ATOM 0 HG22 VAL A 19 18.129 -3.652 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 19 16.790 -2.965 -6.246 1.00 0.00 H new ATOM 309 N LYS A 20 15.439 -3.357 -1.318 1.00 0.00 N ATOM 310 CA LYS A 20 14.759 -2.935 -0.105 1.00 0.00 C ATOM 311 C LYS A 20 15.119 -1.497 0.235 1.00 0.00 C ATOM 312 O LYS A 20 14.265 -0.723 0.659 1.00 0.00 O ATOM 313 CB LYS A 20 15.132 -3.854 1.059 1.00 0.00 C ATOM 314 CG LYS A 20 14.350 -3.570 2.332 1.00 0.00 C ATOM 315 CD LYS A 20 15.268 -3.454 3.539 1.00 0.00 C ATOM 316 CE LYS A 20 15.544 -2.000 3.890 1.00 0.00 C ATOM 317 NZ LYS A 20 16.550 -1.872 4.980 1.00 0.00 N ATOM 0 H LYS A 20 16.194 -4.024 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 20 13.684 -2.996 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.964 -4.889 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 20 16.197 -3.751 1.266 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.785 -2.645 2.214 1.00 0.00 H new ATOM 0 HG3 LYS A 20 13.626 -4.367 2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.813 -3.956 4.393 1.00 0.00 H new ATOM 0 HD3 LYS A 20 16.209 -3.965 3.333 1.00 0.00 H new ATOM 0 HE2 LYS A 20 15.900 -1.474 3.004 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.615 -1.518 4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 16.709 -0.866 5.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.200 -2.352 5.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 17.445 -2.309 4.680 1.00 0.00 H new ATOM 331 N ALA A 21 16.384 -1.134 0.034 1.00 0.00 N ATOM 332 CA ALA A 21 16.831 0.225 0.310 1.00 0.00 C ATOM 333 C ALA A 21 16.010 1.214 -0.505 1.00 0.00 C ATOM 334 O ALA A 21 15.738 2.332 -0.064 1.00 0.00 O ATOM 335 CB ALA A 21 18.313 0.372 -0.004 1.00 0.00 C ATOM 0 H ALA A 21 17.111 -1.758 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 21 16.686 0.437 1.369 1.00 0.00 H new ATOM 0 HB1 ALA A 21 18.630 1.393 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 21 18.886 -0.321 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 21 18.486 0.149 -1.057 1.00 0.00 H new ATOM 341 N ASN A 22 15.592 0.774 -1.688 1.00 0.00 N ATOM 342 CA ASN A 22 14.774 1.598 -2.559 1.00 0.00 C ATOM 343 C ASN A 22 13.341 1.597 -2.050 1.00 0.00 C ATOM 344 O ASN A 22 12.637 2.603 -2.138 1.00 0.00 O ATOM 345 CB ASN A 22 14.823 1.073 -3.996 1.00 0.00 C ATOM 346 CG ASN A 22 16.094 1.482 -4.716 1.00 0.00 C ATOM 347 OD1 ASN A 22 17.014 0.680 -4.878 1.00 0.00 O ATOM 348 ND2 ASN A 22 16.151 2.735 -5.153 1.00 0.00 N ATOM 0 H ASN A 22 15.809 -0.150 -2.062 1.00 0.00 H new ATOM 0 HA ASN A 22 15.162 2.617 -2.555 1.00 0.00 H new ATOM 0 HB2 ASN A 22 14.748 -0.014 -3.986 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.960 1.447 -4.547 1.00 0.00 H new ATOM 0 HD21 ASN A 22 16.981 3.066 -5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 22 15.365 3.366 -4.997 1.00 0.00 H new ATOM 355 N ALA A 23 12.922 0.461 -1.496 1.00 0.00 N ATOM 356 CA ALA A 23 11.575 0.337 -0.952 1.00 0.00 C ATOM 357 C ALA A 23 11.447 1.105 0.364 1.00 0.00 C ATOM 358 O ALA A 23 10.343 1.433 0.799 1.00 0.00 O ATOM 359 CB ALA A 23 11.214 -1.127 -0.756 1.00 0.00 C ATOM 0 H ALA A 23 13.493 -0.380 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 23 10.876 0.772 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 23 10.205 -1.202 -0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 23 11.258 -1.644 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 23 11.919 -1.586 -0.063 1.00 0.00 H new ATOM 365 N ASP A 24 12.587 1.392 0.990 1.00 0.00 N ATOM 366 CA ASP A 24 12.608 2.124 2.252 1.00 0.00 C ATOM 367 C ASP A 24 12.541 3.624 1.999 1.00 0.00 C ATOM 368 O ASP A 24 11.872 4.359 2.726 1.00 0.00 O ATOM 369 CB ASP A 24 13.871 1.779 3.046 1.00 0.00 C ATOM 370 CG ASP A 24 13.565 0.997 4.308 1.00 0.00 C ATOM 371 OD1 ASP A 24 12.920 -0.068 4.205 1.00 0.00 O ATOM 372 OD2 ASP A 24 13.968 1.450 5.399 1.00 0.00 O ATOM 0 H ASP A 24 13.509 1.128 0.642 1.00 0.00 H new ATOM 0 HA ASP A 24 11.735 1.830 2.835 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.545 1.198 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.394 2.699 3.309 1.00 0.00 H new ATOM 377 N SER A 25 13.225 4.074 0.950 1.00 0.00 N ATOM 378 CA SER A 25 13.220 5.486 0.591 1.00 0.00 C ATOM 379 C SER A 25 11.818 5.896 0.163 1.00 0.00 C ATOM 380 O SER A 25 11.348 6.991 0.477 1.00 0.00 O ATOM 381 CB SER A 25 14.217 5.755 -0.539 1.00 0.00 C ATOM 382 OG SER A 25 14.854 7.009 -0.368 1.00 0.00 O ATOM 0 H SER A 25 13.787 3.483 0.337 1.00 0.00 H new ATOM 0 HA SER A 25 13.519 6.074 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 25 14.966 4.963 -0.564 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.699 5.734 -1.498 1.00 0.00 H new ATOM 0 HG SER A 25 15.487 7.157 -1.101 1.00 0.00 H new ATOM 388 N LEU A 26 11.151 4.991 -0.543 1.00 0.00 N ATOM 389 CA LEU A 26 9.795 5.223 -1.011 1.00 0.00 C ATOM 390 C LEU A 26 8.837 5.319 0.174 1.00 0.00 C ATOM 391 O LEU A 26 8.059 6.267 0.291 1.00 0.00 O ATOM 392 CB LEU A 26 9.374 4.090 -1.950 1.00 0.00 C ATOM 393 CG LEU A 26 8.004 4.249 -2.607 1.00 0.00 C ATOM 394 CD1 LEU A 26 7.965 5.487 -3.490 1.00 0.00 C ATOM 395 CD2 LEU A 26 7.664 3.010 -3.420 1.00 0.00 C ATOM 0 H LEU A 26 11.534 4.082 -0.805 1.00 0.00 H new ATOM 0 HA LEU A 26 9.760 6.166 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.124 3.996 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.381 3.156 -1.388 1.00 0.00 H new ATOM 0 HG LEU A 26 7.260 4.370 -1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.979 5.578 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.168 6.371 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.720 5.400 -4.272 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.685 3.136 -3.883 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.416 2.866 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.646 2.139 -2.765 1.00 0.00 H new ATOM 407 N ALA A 27 8.919 4.336 1.067 1.00 0.00 N ATOM 408 CA ALA A 27 8.076 4.318 2.256 1.00 0.00 C ATOM 409 C ALA A 27 8.299 5.578 3.088 1.00 0.00 C ATOM 410 O ALA A 27 7.426 5.998 3.849 1.00 0.00 O ATOM 411 CB ALA A 27 8.360 3.076 3.087 1.00 0.00 C ATOM 0 H ALA A 27 9.558 3.545 0.989 1.00 0.00 H new ATOM 0 HA ALA A 27 7.033 4.294 1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.723 3.077 3.972 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.155 2.186 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.406 3.075 3.393 1.00 0.00 H new ATOM 417 N SER A 28 9.474 6.180 2.928 1.00 0.00 N ATOM 418 CA SER A 28 9.819 7.395 3.651 1.00 0.00 C ATOM 419 C SER A 28 9.048 8.588 3.095 1.00 0.00 C ATOM 420 O SER A 28 8.552 9.427 3.851 1.00 0.00 O ATOM 421 CB SER A 28 11.324 7.659 3.562 1.00 0.00 C ATOM 422 OG SER A 28 12.001 7.139 4.693 1.00 0.00 O ATOM 0 H SER A 28 10.204 5.843 2.301 1.00 0.00 H new ATOM 0 HA SER A 28 9.545 7.259 4.697 1.00 0.00 H new ATOM 0 HB2 SER A 28 11.723 7.205 2.655 1.00 0.00 H new ATOM 0 HB3 SER A 28 11.504 8.731 3.488 1.00 0.00 H new ATOM 0 HG SER A 28 12.961 7.319 4.611 1.00 0.00 H new ATOM 428 N ASN A 29 8.939 8.654 1.770 1.00 0.00 N ATOM 429 CA ASN A 29 8.219 9.744 1.122 1.00 0.00 C ATOM 430 C ASN A 29 6.773 9.788 1.601 1.00 0.00 C ATOM 431 O ASN A 29 6.256 10.848 1.955 1.00 0.00 O ATOM 432 CB ASN A 29 8.283 9.600 -0.408 1.00 0.00 C ATOM 433 CG ASN A 29 7.147 8.780 -0.996 1.00 0.00 C ATOM 434 OD1 ASN A 29 5.974 9.113 -0.837 1.00 0.00 O ATOM 435 ND2 ASN A 29 7.493 7.708 -1.693 1.00 0.00 N ATOM 0 H ASN A 29 9.338 7.969 1.128 1.00 0.00 H new ATOM 0 HA ASN A 29 8.698 10.684 1.395 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.272 10.593 -0.858 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.231 9.137 -0.680 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.774 7.124 -2.121 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.478 7.466 -1.801 1.00 0.00 H new ATOM 442 N ALA A 30 6.126 8.627 1.611 1.00 0.00 N ATOM 443 CA ALA A 30 4.741 8.537 2.049 1.00 0.00 C ATOM 444 C ALA A 30 4.612 8.969 3.502 1.00 0.00 C ATOM 445 O ALA A 30 3.663 9.656 3.875 1.00 0.00 O ATOM 446 CB ALA A 30 4.219 7.123 1.865 1.00 0.00 C ATOM 0 H ALA A 30 6.538 7.740 1.322 1.00 0.00 H new ATOM 0 HA ALA A 30 4.140 9.209 1.437 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.182 7.072 2.197 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.277 6.848 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 30 4.823 6.433 2.454 1.00 0.00 H new ATOM 452 N GLU A 31 5.580 8.562 4.318 1.00 0.00 N ATOM 453 CA GLU A 31 5.579 8.911 5.733 1.00 0.00 C ATOM 454 C GLU A 31 5.481 10.423 5.905 1.00 0.00 C ATOM 455 O GLU A 31 4.815 10.915 6.817 1.00 0.00 O ATOM 456 CB GLU A 31 6.845 8.383 6.412 1.00 0.00 C ATOM 457 CG GLU A 31 6.790 8.437 7.930 1.00 0.00 C ATOM 458 CD GLU A 31 7.834 9.364 8.520 1.00 0.00 C ATOM 459 OE1 GLU A 31 7.559 10.578 8.627 1.00 0.00 O ATOM 460 OE2 GLU A 31 8.927 8.875 8.877 1.00 0.00 O ATOM 0 H GLU A 31 6.373 7.992 4.024 1.00 0.00 H new ATOM 0 HA GLU A 31 4.712 8.449 6.204 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.012 7.352 6.099 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.701 8.963 6.067 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.799 8.767 8.242 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.933 7.433 8.331 1.00 0.00 H new ATOM 467 N ALA A 32 6.145 11.150 5.014 1.00 0.00 N ATOM 468 CA ALA A 32 6.136 12.609 5.043 1.00 0.00 C ATOM 469 C ALA A 32 4.707 13.129 5.064 1.00 0.00 C ATOM 470 O ALA A 32 4.339 13.930 5.924 1.00 0.00 O ATOM 471 CB ALA A 32 6.890 13.169 3.847 1.00 0.00 C ATOM 0 H ALA A 32 6.700 10.750 4.257 1.00 0.00 H new ATOM 0 HA ALA A 32 6.638 12.941 5.952 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.874 14.258 3.884 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.923 12.821 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.415 12.830 2.926 1.00 0.00 H new ATOM 477 N LYS A 33 3.893 12.647 4.128 1.00 0.00 N ATOM 478 CA LYS A 33 2.497 13.050 4.069 1.00 0.00 C ATOM 479 C LYS A 33 1.796 12.612 5.347 1.00 0.00 C ATOM 480 O LYS A 33 0.838 13.240 5.797 1.00 0.00 O ATOM 481 CB LYS A 33 1.806 12.430 2.858 1.00 0.00 C ATOM 482 CG LYS A 33 2.251 13.023 1.533 1.00 0.00 C ATOM 483 CD LYS A 33 1.913 14.501 1.443 1.00 0.00 C ATOM 484 CE LYS A 33 3.124 15.370 1.740 1.00 0.00 C ATOM 485 NZ LYS A 33 4.046 15.458 0.574 1.00 0.00 N ATOM 0 H LYS A 33 4.176 11.983 3.407 1.00 0.00 H new ATOM 0 HA LYS A 33 2.445 14.134 3.972 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.000 11.357 2.850 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.728 12.558 2.960 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.326 12.887 1.415 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.770 12.488 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.537 14.729 0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.114 14.736 2.147 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.793 16.371 2.017 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.661 14.963 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.858 16.060 0.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.383 14.506 0.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.542 15.870 -0.237 1.00 0.00 H new ATOM 499 N GLY A 34 2.303 11.533 5.934 1.00 0.00 N ATOM 500 CA GLY A 34 1.750 11.018 7.163 1.00 0.00 C ATOM 501 C GLY A 34 1.004 9.717 6.963 1.00 0.00 C ATOM 502 O GLY A 34 0.024 9.440 7.656 1.00 0.00 O ATOM 0 H GLY A 34 3.096 11.004 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.554 10.865 7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.074 11.758 7.592 1.00 0.00 H new ATOM 506 N PHE A 35 1.472 8.913 6.016 1.00 0.00 N ATOM 507 CA PHE A 35 0.848 7.633 5.731 1.00 0.00 C ATOM 508 C PHE A 35 1.626 6.497 6.379 1.00 0.00 C ATOM 509 O PHE A 35 2.823 6.617 6.638 1.00 0.00 O ATOM 510 CB PHE A 35 0.765 7.417 4.224 1.00 0.00 C ATOM 511 CG PHE A 35 0.249 8.611 3.478 1.00 0.00 C ATOM 512 CD1 PHE A 35 -0.679 9.463 4.056 1.00 0.00 C ATOM 513 CD2 PHE A 35 0.700 8.885 2.201 1.00 0.00 C ATOM 514 CE1 PHE A 35 -1.150 10.564 3.370 1.00 0.00 C ATOM 515 CE2 PHE A 35 0.236 9.989 1.509 1.00 0.00 C ATOM 516 CZ PHE A 35 -0.692 10.827 2.095 1.00 0.00 C ATOM 0 H PHE A 35 2.282 9.127 5.434 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.159 7.641 6.147 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.755 7.162 3.846 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.117 6.564 4.022 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.038 9.263 5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 35 1.423 8.230 1.738 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.876 11.218 3.830 1.00 0.00 H new ATOM 0 HE2 PHE A 35 0.599 10.195 0.513 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.059 11.688 1.556 1.00 0.00 H new ATOM 526 N ASP A 36 0.940 5.392 6.623 1.00 0.00 N ATOM 527 CA ASP A 36 1.568 4.227 7.223 1.00 0.00 C ATOM 528 C ASP A 36 2.228 3.384 6.143 1.00 0.00 C ATOM 529 O ASP A 36 1.575 2.563 5.500 1.00 0.00 O ATOM 530 CB ASP A 36 0.535 3.393 7.984 1.00 0.00 C ATOM 531 CG ASP A 36 -0.165 4.191 9.068 1.00 0.00 C ATOM 532 OD1 ASP A 36 -1.104 4.944 8.738 1.00 0.00 O ATOM 533 OD2 ASP A 36 0.226 4.060 10.248 1.00 0.00 O ATOM 0 H ASP A 36 -0.052 5.278 6.415 1.00 0.00 H new ATOM 0 HA ASP A 36 2.328 4.563 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.206 3.009 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.027 2.530 8.432 1.00 0.00 H new ATOM 538 N SER A 37 3.521 3.607 5.923 1.00 0.00 N ATOM 539 CA SER A 37 4.247 2.879 4.894 1.00 0.00 C ATOM 540 C SER A 37 4.646 1.497 5.383 1.00 0.00 C ATOM 541 O SER A 37 4.741 1.249 6.586 1.00 0.00 O ATOM 542 CB SER A 37 5.491 3.662 4.469 1.00 0.00 C ATOM 543 OG SER A 37 6.453 3.693 5.509 1.00 0.00 O ATOM 0 H SER A 37 4.082 4.283 6.442 1.00 0.00 H new ATOM 0 HA SER A 37 3.587 2.762 4.034 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.926 3.205 3.580 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.209 4.680 4.199 1.00 0.00 H new ATOM 0 HG SER A 37 7.049 4.461 5.381 1.00 0.00 H new ATOM 549 N ILE A 38 4.851 0.592 4.436 1.00 0.00 N ATOM 550 CA ILE A 38 5.208 -0.780 4.754 1.00 0.00 C ATOM 551 C ILE A 38 5.972 -1.426 3.600 1.00 0.00 C ATOM 552 O ILE A 38 5.618 -1.252 2.434 1.00 0.00 O ATOM 553 CB ILE A 38 3.937 -1.604 5.058 1.00 0.00 C ATOM 554 CG1 ILE A 38 4.222 -3.108 5.002 1.00 0.00 C ATOM 555 CG2 ILE A 38 2.832 -1.224 4.080 1.00 0.00 C ATOM 556 CD1 ILE A 38 3.495 -3.902 6.065 1.00 0.00 C ATOM 0 H ILE A 38 4.775 0.786 3.438 1.00 0.00 H new ATOM 0 HA ILE A 38 5.851 -0.766 5.634 1.00 0.00 H new ATOM 0 HB ILE A 38 3.609 -1.373 6.071 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.939 -3.487 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.295 -3.270 5.109 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.937 -1.807 4.297 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.606 -0.162 4.180 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.161 -1.430 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.744 -4.958 5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.796 -3.550 7.052 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.420 -3.770 5.946 1.00 0.00 H new ATOM 568 N VAL A 39 7.020 -2.169 3.934 1.00 0.00 N ATOM 569 CA VAL A 39 7.834 -2.839 2.928 1.00 0.00 C ATOM 570 C VAL A 39 7.729 -4.356 3.060 1.00 0.00 C ATOM 571 O VAL A 39 8.175 -4.929 4.055 1.00 0.00 O ATOM 572 CB VAL A 39 9.314 -2.426 3.042 1.00 0.00 C ATOM 573 CG1 VAL A 39 10.144 -3.072 1.942 1.00 0.00 C ATOM 574 CG2 VAL A 39 9.447 -0.910 3.003 1.00 0.00 C ATOM 0 H VAL A 39 7.326 -2.323 4.895 1.00 0.00 H new ATOM 0 HA VAL A 39 7.452 -2.534 1.954 1.00 0.00 H new ATOM 0 HB VAL A 39 9.696 -2.779 4.000 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.185 -2.765 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.076 -4.157 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 39 9.767 -2.757 0.969 1.00 0.00 H new ATOM 0 HG21 VAL A 39 10.499 -0.635 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.045 -0.534 2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.892 -0.475 3.834 1.00 0.00 H new ATOM 584 N LEU A 40 7.142 -5.009 2.056 1.00 0.00 N ATOM 585 CA LEU A 40 6.993 -6.459 2.083 1.00 0.00 C ATOM 586 C LEU A 40 7.851 -7.103 1.004 1.00 0.00 C ATOM 587 O LEU A 40 7.748 -6.763 -0.176 1.00 0.00 O ATOM 588 CB LEU A 40 5.521 -6.856 1.899 1.00 0.00 C ATOM 589 CG LEU A 40 5.271 -8.142 1.100 1.00 0.00 C ATOM 590 CD1 LEU A 40 6.083 -9.302 1.665 1.00 0.00 C ATOM 591 CD2 LEU A 40 3.788 -8.480 1.087 1.00 0.00 C ATOM 0 H LEU A 40 6.766 -4.559 1.222 1.00 0.00 H new ATOM 0 HA LEU A 40 7.329 -6.818 3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.069 -6.969 2.884 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.002 -6.036 1.403 1.00 0.00 H new ATOM 0 HG LEU A 40 5.596 -7.973 0.073 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.888 -10.201 1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.145 -9.061 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.798 -9.474 2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.628 -9.395 0.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.439 -8.625 2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.233 -7.663 0.626 1.00 0.00 H new ATOM 682 N TYR A 46 10.561 -6.139 -3.569 1.00 0.00 N ATOM 683 CA TYR A 46 10.083 -5.481 -2.360 1.00 0.00 C ATOM 684 C TYR A 46 8.958 -4.512 -2.719 1.00 0.00 C ATOM 685 O TYR A 46 9.067 -3.759 -3.684 1.00 0.00 O ATOM 686 CB TYR A 46 11.218 -4.719 -1.670 1.00 0.00 C ATOM 687 CG TYR A 46 12.170 -5.606 -0.903 1.00 0.00 C ATOM 688 CD1 TYR A 46 13.043 -6.455 -1.567 1.00 0.00 C ATOM 689 CD2 TYR A 46 12.194 -5.596 0.486 1.00 0.00 C ATOM 690 CE1 TYR A 46 13.914 -7.270 -0.872 1.00 0.00 C ATOM 691 CE2 TYR A 46 13.063 -6.406 1.190 1.00 0.00 C ATOM 692 CZ TYR A 46 13.921 -7.241 0.507 1.00 0.00 C ATOM 693 OH TYR A 46 14.788 -8.051 1.204 1.00 0.00 O ATOM 0 HA TYR A 46 9.711 -6.242 -1.673 1.00 0.00 H new ATOM 0 HB2 TYR A 46 11.779 -4.163 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 46 10.788 -3.986 -0.987 1.00 0.00 H new ATOM 0 HD1 TYR A 46 13.041 -6.479 -2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 46 11.522 -4.944 1.024 1.00 0.00 H new ATOM 0 HE1 TYR A 46 14.586 -7.926 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR A 46 13.070 -6.385 2.270 1.00 0.00 H new ATOM 0 HH TYR A 46 14.667 -7.909 2.166 1.00 0.00 H new ATOM 703 N LYS A 47 7.876 -4.543 -1.952 1.00 0.00 N ATOM 704 CA LYS A 47 6.736 -3.673 -2.214 1.00 0.00 C ATOM 705 C LYS A 47 6.623 -2.566 -1.183 1.00 0.00 C ATOM 706 O LYS A 47 6.978 -2.742 -0.022 1.00 0.00 O ATOM 707 CB LYS A 47 5.444 -4.485 -2.239 1.00 0.00 C ATOM 708 CG LYS A 47 5.146 -5.081 -3.597 1.00 0.00 C ATOM 709 CD LYS A 47 6.136 -6.173 -3.946 1.00 0.00 C ATOM 710 CE LYS A 47 5.711 -7.512 -3.378 1.00 0.00 C ATOM 711 NZ LYS A 47 4.877 -8.288 -4.337 1.00 0.00 N ATOM 0 H LYS A 47 7.763 -5.158 -1.146 1.00 0.00 H new ATOM 0 HA LYS A 47 6.897 -3.212 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.511 -5.287 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.614 -3.846 -1.939 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.135 -5.488 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.181 -4.299 -4.356 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.228 -6.249 -5.029 1.00 0.00 H new ATOM 0 HD3 LYS A 47 7.121 -5.909 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.596 -8.092 -3.116 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.150 -7.353 -2.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.609 -9.196 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.019 -7.747 -4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.420 -8.463 -5.207 1.00 0.00 H new ATOM 725 N VAL A 48 6.118 -1.425 -1.628 1.00 0.00 N ATOM 726 CA VAL A 48 5.940 -0.275 -0.760 1.00 0.00 C ATOM 727 C VAL A 48 4.475 0.146 -0.713 1.00 0.00 C ATOM 728 O VAL A 48 3.970 0.787 -1.634 1.00 0.00 O ATOM 729 CB VAL A 48 6.807 0.906 -1.230 1.00 0.00 C ATOM 730 CG1 VAL A 48 6.580 2.126 -0.350 1.00 0.00 C ATOM 731 CG2 VAL A 48 8.276 0.511 -1.239 1.00 0.00 C ATOM 0 H VAL A 48 5.823 -1.273 -2.592 1.00 0.00 H new ATOM 0 HA VAL A 48 6.255 -0.564 0.243 1.00 0.00 H new ATOM 0 HB VAL A 48 6.514 1.167 -2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 48 7.203 2.949 -0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.531 2.419 -0.398 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.843 1.886 0.680 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.878 1.356 -1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.582 0.223 -0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.423 -0.330 -1.917 1.00 0.00 H new ATOM 741 N GLN A 49 3.798 -0.230 0.367 1.00 0.00 N ATOM 742 CA GLN A 49 2.389 0.096 0.545 1.00 0.00 C ATOM 743 C GLN A 49 2.211 1.174 1.610 1.00 0.00 C ATOM 744 O GLN A 49 2.910 1.184 2.623 1.00 0.00 O ATOM 745 CB GLN A 49 1.613 -1.172 0.926 1.00 0.00 C ATOM 746 CG GLN A 49 0.175 -0.923 1.357 1.00 0.00 C ATOM 747 CD GLN A 49 -0.179 -1.640 2.647 1.00 0.00 C ATOM 748 OE1 GLN A 49 -0.070 -2.863 2.738 1.00 0.00 O ATOM 749 NE2 GLN A 49 -0.602 -0.881 3.649 1.00 0.00 N ATOM 0 H GLN A 49 4.205 -0.763 1.135 1.00 0.00 H new ATOM 0 HA GLN A 49 1.996 0.487 -0.394 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.612 -1.852 0.074 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.140 -1.676 1.736 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.018 0.148 1.486 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.500 -1.251 0.566 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.676 0.129 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.853 -1.307 4.541 1.00 0.00 H new ATOM 758 N ILE A 50 1.264 2.076 1.376 1.00 0.00 N ATOM 759 CA ILE A 50 0.985 3.151 2.314 1.00 0.00 C ATOM 760 C ILE A 50 -0.515 3.326 2.532 1.00 0.00 C ATOM 761 O ILE A 50 -1.278 3.550 1.596 1.00 0.00 O ATOM 762 CB ILE A 50 1.625 4.472 1.861 1.00 0.00 C ATOM 763 CG1 ILE A 50 1.302 4.775 0.394 1.00 0.00 C ATOM 764 CG2 ILE A 50 3.128 4.390 2.073 1.00 0.00 C ATOM 765 CD1 ILE A 50 0.255 5.849 0.216 1.00 0.00 C ATOM 0 H ILE A 50 0.677 2.082 0.542 1.00 0.00 H new ATOM 0 HA ILE A 50 1.433 2.870 3.267 1.00 0.00 H new ATOM 0 HB ILE A 50 1.214 5.287 2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.216 5.082 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.959 3.861 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.592 5.323 1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.338 4.223 3.129 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.534 3.565 1.487 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.077 6.011 -0.847 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.672 5.536 0.696 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.604 6.776 0.671 1.00 0.00 H new ATOM 777 N GLY A 51 -0.912 3.225 3.792 1.00 0.00 N ATOM 778 CA GLY A 51 -2.306 3.373 4.165 1.00 0.00 C ATOM 779 C GLY A 51 -3.124 2.124 3.896 1.00 0.00 C ATOM 780 O GLY A 51 -3.453 1.824 2.748 1.00 0.00 O ATOM 0 H GLY A 51 -0.284 3.040 4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.369 3.622 5.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.737 4.209 3.615 1.00 0.00 H new ATOM 784 N ALA A 52 -3.461 1.401 4.958 1.00 0.00 N ATOM 785 CA ALA A 52 -4.255 0.184 4.839 1.00 0.00 C ATOM 786 C ALA A 52 -5.466 0.244 5.763 1.00 0.00 C ATOM 787 O ALA A 52 -5.327 0.466 6.967 1.00 0.00 O ATOM 788 CB ALA A 52 -3.405 -1.038 5.153 1.00 0.00 C ATOM 0 H ALA A 52 -3.196 1.638 5.914 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.610 0.103 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.013 -1.938 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.570 -1.090 4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.022 -0.963 6.171 1.00 0.00 H new ATOM 794 N PHE A 53 -6.656 0.063 5.198 1.00 0.00 N ATOM 795 CA PHE A 53 -7.883 0.114 5.985 1.00 0.00 C ATOM 796 C PHE A 53 -8.899 -0.915 5.503 1.00 0.00 C ATOM 797 O PHE A 53 -8.704 -1.572 4.477 1.00 0.00 O ATOM 798 CB PHE A 53 -8.498 1.515 5.918 1.00 0.00 C ATOM 799 CG PHE A 53 -7.483 2.622 5.856 1.00 0.00 C ATOM 800 CD1 PHE A 53 -6.749 2.842 4.703 1.00 0.00 C ATOM 801 CD2 PHE A 53 -7.266 3.443 6.952 1.00 0.00 C ATOM 802 CE1 PHE A 53 -5.816 3.859 4.643 1.00 0.00 C ATOM 803 CE2 PHE A 53 -6.335 4.462 6.898 1.00 0.00 C ATOM 804 CZ PHE A 53 -5.608 4.671 5.741 1.00 0.00 C ATOM 0 H PHE A 53 -6.796 -0.119 4.204 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.623 -0.121 7.017 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.143 1.577 5.041 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.132 1.665 6.792 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.908 2.211 3.841 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.831 3.284 7.858 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.249 4.019 3.738 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -6.175 5.095 7.759 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.879 5.467 5.696 1.00 0.00 H new ATOM 814 N SER A 54 -9.992 -1.042 6.252 1.00 0.00 N ATOM 815 CA SER A 54 -11.053 -1.982 5.911 1.00 0.00 C ATOM 816 C SER A 54 -12.003 -1.383 4.878 1.00 0.00 C ATOM 817 O SER A 54 -12.780 -2.103 4.250 1.00 0.00 O ATOM 818 CB SER A 54 -11.832 -2.379 7.168 1.00 0.00 C ATOM 819 OG SER A 54 -11.024 -3.142 8.049 1.00 0.00 O ATOM 0 H SER A 54 -10.165 -0.503 7.101 1.00 0.00 H new ATOM 0 HA SER A 54 -10.592 -2.871 5.479 1.00 0.00 H new ATOM 0 HB2 SER A 54 -12.186 -1.483 7.678 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.713 -2.955 6.887 1.00 0.00 H new ATOM 0 HG SER A 54 -11.544 -3.382 8.845 1.00 0.00 H new ATOM 825 N SER A 55 -11.941 -0.063 4.703 1.00 0.00 N ATOM 826 CA SER A 55 -12.798 0.624 3.742 1.00 0.00 C ATOM 827 C SER A 55 -11.979 1.191 2.585 1.00 0.00 C ATOM 828 O SER A 55 -10.991 1.894 2.795 1.00 0.00 O ATOM 829 CB SER A 55 -13.576 1.745 4.434 1.00 0.00 C ATOM 830 OG SER A 55 -14.972 1.592 4.242 1.00 0.00 O ATOM 0 H SER A 55 -11.306 0.550 5.215 1.00 0.00 H new ATOM 0 HA SER A 55 -13.503 -0.102 3.337 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.350 1.744 5.500 1.00 0.00 H new ATOM 0 HB3 SER A 55 -13.256 2.710 4.042 1.00 0.00 H new ATOM 0 HG SER A 55 -15.330 2.387 3.795 1.00 0.00 H new ATOM 836 N LYS A 56 -12.399 0.878 1.361 1.00 0.00 N ATOM 837 CA LYS A 56 -11.709 1.351 0.167 1.00 0.00 C ATOM 838 C LYS A 56 -11.607 2.872 0.155 1.00 0.00 C ATOM 839 O LYS A 56 -10.618 3.433 -0.317 1.00 0.00 O ATOM 840 CB LYS A 56 -12.430 0.869 -1.091 1.00 0.00 C ATOM 841 CG LYS A 56 -11.516 0.756 -2.298 1.00 0.00 C ATOM 842 CD LYS A 56 -11.681 1.943 -3.234 1.00 0.00 C ATOM 843 CE LYS A 56 -11.406 1.558 -4.679 1.00 0.00 C ATOM 844 NZ LYS A 56 -10.086 2.064 -5.149 1.00 0.00 N ATOM 0 H LYS A 56 -13.216 0.297 1.172 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.700 0.940 0.181 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.882 -0.103 -0.893 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.243 1.557 -1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.480 0.694 -1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.734 -0.166 -2.836 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.694 2.337 -3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.002 2.741 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.434 0.473 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.195 1.956 -5.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.192 2.485 -6.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.735 2.785 -4.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.408 1.276 -5.195 1.00 0.00 H new ATOM 858 N ASP A 57 -12.634 3.537 0.676 1.00 0.00 N ATOM 859 CA ASP A 57 -12.654 4.995 0.724 1.00 0.00 C ATOM 860 C ASP A 57 -11.385 5.537 1.375 1.00 0.00 C ATOM 861 O ASP A 57 -10.922 6.629 1.042 1.00 0.00 O ATOM 862 CB ASP A 57 -13.885 5.486 1.489 1.00 0.00 C ATOM 863 CG ASP A 57 -13.987 4.871 2.871 1.00 0.00 C ATOM 864 OD1 ASP A 57 -13.161 5.221 3.739 1.00 0.00 O ATOM 865 OD2 ASP A 57 -14.895 4.039 3.085 1.00 0.00 O ATOM 0 H ASP A 57 -13.462 3.090 1.070 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.701 5.365 -0.300 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.845 6.572 1.579 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.783 5.246 0.920 1.00 0.00 H new ATOM 870 N ASN A 58 -10.829 4.767 2.304 1.00 0.00 N ATOM 871 CA ASN A 58 -9.612 5.167 3.002 1.00 0.00 C ATOM 872 C ASN A 58 -8.410 5.107 2.066 1.00 0.00 C ATOM 873 O ASN A 58 -7.643 6.063 1.961 1.00 0.00 O ATOM 874 CB ASN A 58 -9.377 4.270 4.218 1.00 0.00 C ATOM 875 CG ASN A 58 -10.550 4.273 5.177 1.00 0.00 C ATOM 876 OD1 ASN A 58 -10.847 5.286 5.810 1.00 0.00 O ATOM 877 ND2 ASN A 58 -11.226 3.135 5.288 1.00 0.00 N ATOM 0 H ASN A 58 -11.202 3.862 2.591 1.00 0.00 H new ATOM 0 HA ASN A 58 -9.735 6.195 3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -9.189 3.250 3.882 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -8.482 4.603 4.743 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.027 3.077 5.917 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.945 2.319 4.744 1.00 0.00 H new ATOM 884 N ALA A 59 -8.259 3.976 1.386 1.00 0.00 N ATOM 885 CA ALA A 59 -7.158 3.783 0.451 1.00 0.00 C ATOM 886 C ALA A 59 -7.199 4.824 -0.660 1.00 0.00 C ATOM 887 O ALA A 59 -6.164 5.336 -1.074 1.00 0.00 O ATOM 888 CB ALA A 59 -7.207 2.382 -0.131 1.00 0.00 C ATOM 0 H ALA A 59 -8.888 3.177 1.466 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.221 3.906 0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.380 2.249 -0.828 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.125 1.651 0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.151 2.239 -0.656 1.00 0.00 H new ATOM 894 N ASP A 60 -8.398 5.130 -1.145 1.00 0.00 N ATOM 895 CA ASP A 60 -8.560 6.110 -2.212 1.00 0.00 C ATOM 896 C ASP A 60 -8.038 7.477 -1.783 1.00 0.00 C ATOM 897 O ASP A 60 -7.237 8.096 -2.486 1.00 0.00 O ATOM 898 CB ASP A 60 -10.032 6.219 -2.614 1.00 0.00 C ATOM 899 CG ASP A 60 -10.453 5.127 -3.581 1.00 0.00 C ATOM 900 OD1 ASP A 60 -9.584 4.329 -3.992 1.00 0.00 O ATOM 901 OD2 ASP A 60 -11.652 5.072 -3.927 1.00 0.00 O ATOM 0 H ASP A 60 -9.270 4.714 -0.817 1.00 0.00 H new ATOM 0 HA ASP A 60 -7.978 5.772 -3.070 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.654 6.168 -1.720 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.209 7.193 -3.071 1.00 0.00 H new ATOM 906 N THR A 61 -8.495 7.945 -0.625 1.00 0.00 N ATOM 907 CA THR A 61 -8.072 9.241 -0.105 1.00 0.00 C ATOM 908 C THR A 61 -6.560 9.285 0.084 1.00 0.00 C ATOM 909 O THR A 61 -5.924 10.314 -0.144 1.00 0.00 O ATOM 910 CB THR A 61 -8.773 9.541 1.226 1.00 0.00 C ATOM 911 OG1 THR A 61 -9.327 8.362 1.782 1.00 0.00 O ATOM 912 CG2 THR A 61 -9.885 10.561 1.099 1.00 0.00 C ATOM 0 H THR A 61 -9.157 7.447 -0.030 1.00 0.00 H new ATOM 0 HA THR A 61 -8.353 10.002 -0.833 1.00 0.00 H new ATOM 0 HB THR A 61 -7.998 9.952 1.874 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.182 8.165 1.346 1.00 0.00 H new ATOM 0 HG21 THR A 61 -10.339 10.728 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.477 11.499 0.724 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.641 10.191 0.406 1.00 0.00 H new ATOM 920 N LEU A 62 -5.987 8.156 0.489 1.00 0.00 N ATOM 921 CA LEU A 62 -4.548 8.050 0.701 1.00 0.00 C ATOM 922 C LEU A 62 -3.825 8.111 -0.616 1.00 0.00 C ATOM 923 O LEU A 62 -2.876 8.872 -0.801 1.00 0.00 O ATOM 924 CB LEU A 62 -4.209 6.703 1.324 1.00 0.00 C ATOM 925 CG LEU A 62 -2.989 6.701 2.241 1.00 0.00 C ATOM 926 CD1 LEU A 62 -1.830 7.420 1.575 1.00 0.00 C ATOM 927 CD2 LEU A 62 -3.323 7.345 3.577 1.00 0.00 C ATOM 0 H LEU A 62 -6.502 7.296 0.678 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.247 8.871 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.072 6.356 1.893 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.044 5.982 0.524 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.695 5.668 2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.966 7.411 2.240 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.576 6.915 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.115 8.451 1.363 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.441 7.334 4.217 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.641 8.375 3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.127 6.788 4.058 1.00 0.00 H new ATOM 939 N ALA A 63 -4.272 7.255 -1.520 1.00 0.00 N ATOM 940 CA ALA A 63 -3.666 7.151 -2.818 1.00 0.00 C ATOM 941 C ALA A 63 -3.604 8.511 -3.502 1.00 0.00 C ATOM 942 O ALA A 63 -2.527 9.001 -3.840 1.00 0.00 O ATOM 943 CB ALA A 63 -4.413 6.145 -3.679 1.00 0.00 C ATOM 0 H ALA A 63 -5.058 6.623 -1.368 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.644 6.796 -2.687 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -3.938 6.081 -4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.389 5.167 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -5.448 6.465 -3.798 1.00 0.00 H new ATOM 949 N ALA A 64 -4.774 9.122 -3.691 1.00 0.00 N ATOM 950 CA ALA A 64 -4.860 10.434 -4.321 1.00 0.00 C ATOM 951 C ALA A 64 -3.936 11.423 -3.623 1.00 0.00 C ATOM 952 O ALA A 64 -3.315 12.271 -4.263 1.00 0.00 O ATOM 953 CB ALA A 64 -6.295 10.939 -4.299 1.00 0.00 C ATOM 0 H ALA A 64 -5.673 8.727 -3.416 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.542 10.341 -5.359 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.343 11.919 -4.773 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.934 10.242 -4.841 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -6.637 11.018 -3.267 1.00 0.00 H new ATOM 959 N ARG A 65 -3.837 11.290 -2.304 1.00 0.00 N ATOM 960 CA ARG A 65 -2.972 12.152 -1.515 1.00 0.00 C ATOM 961 C ARG A 65 -1.521 11.923 -1.908 1.00 0.00 C ATOM 962 O ARG A 65 -0.731 12.861 -2.000 1.00 0.00 O ATOM 963 CB ARG A 65 -3.168 11.869 -0.026 1.00 0.00 C ATOM 964 CG ARG A 65 -2.966 13.085 0.860 1.00 0.00 C ATOM 965 CD ARG A 65 -3.502 12.840 2.261 1.00 0.00 C ATOM 966 NE ARG A 65 -4.372 13.923 2.712 1.00 0.00 N ATOM 967 CZ ARG A 65 -5.254 13.802 3.703 1.00 0.00 C ATOM 968 NH1 ARG A 65 -5.384 12.651 4.351 1.00 0.00 N ATOM 969 NH2 ARG A 65 -6.009 14.838 4.046 1.00 0.00 N ATOM 0 H ARG A 65 -4.346 10.592 -1.761 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.231 13.193 -1.709 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.174 11.480 0.131 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.472 11.088 0.281 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.905 13.328 0.911 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.470 13.946 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.054 11.900 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.668 12.733 2.954 1.00 0.00 H new ATOM 0 HE ARG A 65 -4.300 14.825 2.241 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.806 11.851 4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.062 12.566 5.109 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.913 15.725 3.551 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -6.685 14.748 4.804 1.00 0.00 H new ATOM 983 N ALA A 66 -1.185 10.660 -2.161 1.00 0.00 N ATOM 984 CA ALA A 66 0.162 10.301 -2.569 1.00 0.00 C ATOM 985 C ALA A 66 0.464 10.918 -3.923 1.00 0.00 C ATOM 986 O ALA A 66 1.553 11.440 -4.150 1.00 0.00 O ATOM 987 CB ALA A 66 0.330 8.791 -2.605 1.00 0.00 C ATOM 0 H ALA A 66 -1.829 9.872 -2.089 1.00 0.00 H new ATOM 0 HA ALA A 66 0.872 10.692 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.346 8.545 -2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.142 8.380 -1.613 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -0.378 8.363 -3.315 1.00 0.00 H new ATOM 993 N LYS A 67 -0.525 10.881 -4.812 1.00 0.00 N ATOM 994 CA LYS A 67 -0.371 11.465 -6.135 1.00 0.00 C ATOM 995 C LYS A 67 -0.120 12.959 -6.009 1.00 0.00 C ATOM 996 O LYS A 67 0.798 13.504 -6.622 1.00 0.00 O ATOM 997 CB LYS A 67 -1.616 11.206 -6.985 1.00 0.00 C ATOM 998 CG LYS A 67 -1.644 9.824 -7.619 1.00 0.00 C ATOM 999 CD LYS A 67 -3.043 9.229 -7.599 1.00 0.00 C ATOM 1000 CE LYS A 67 -3.045 7.787 -8.085 1.00 0.00 C ATOM 1001 NZ LYS A 67 -3.750 7.643 -9.389 1.00 0.00 N ATOM 0 H LYS A 67 -1.435 10.455 -4.639 1.00 0.00 H new ATOM 0 HA LYS A 67 0.482 10.999 -6.629 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.502 11.329 -6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -1.672 11.959 -7.772 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.289 9.887 -8.648 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.959 9.164 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.443 9.273 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.702 9.827 -8.228 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -2.018 7.436 -8.187 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.526 7.153 -7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.730 6.647 -9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.737 7.954 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.276 8.228 -10.106 1.00 0.00 H new ATOM 1015 N ASN A 68 -0.929 13.610 -5.182 1.00 0.00 N ATOM 1016 CA ASN A 68 -0.788 15.037 -4.937 1.00 0.00 C ATOM 1017 C ASN A 68 0.488 15.302 -4.145 1.00 0.00 C ATOM 1018 O ASN A 68 1.067 16.386 -4.215 1.00 0.00 O ATOM 1019 CB ASN A 68 -2.002 15.560 -4.168 1.00 0.00 C ATOM 1020 CG ASN A 68 -2.212 17.049 -4.363 1.00 0.00 C ATOM 1021 OD1 ASN A 68 -3.189 17.474 -4.979 1.00 0.00 O ATOM 1022 ND2 ASN A 68 -1.294 17.849 -3.837 1.00 0.00 N ATOM 0 H ASN A 68 -1.692 13.169 -4.669 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.727 15.558 -5.893 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -2.894 15.024 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.874 15.350 -3.106 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -1.382 18.860 -3.935 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -0.500 17.453 -3.334 1.00 0.00 H new ATOM 1029 N ALA A 69 0.917 14.290 -3.393 1.00 0.00 N ATOM 1030 CA ALA A 69 2.120 14.381 -2.578 1.00 0.00 C ATOM 1031 C ALA A 69 3.380 14.245 -3.428 1.00 0.00 C ATOM 1032 O ALA A 69 4.459 14.679 -3.026 1.00 0.00 O ATOM 1033 CB ALA A 69 2.097 13.299 -1.510 1.00 0.00 C ATOM 0 H ALA A 69 0.441 13.390 -3.334 1.00 0.00 H new ATOM 0 HA ALA A 69 2.138 15.364 -2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.999 13.369 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.220 13.432 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 69 2.056 12.319 -1.986 1.00 0.00 H new ATOM 1039 N GLY A 70 3.239 13.628 -4.596 1.00 0.00 N ATOM 1040 CA GLY A 70 4.374 13.430 -5.476 1.00 0.00 C ATOM 1041 C GLY A 70 4.739 11.967 -5.587 1.00 0.00 C ATOM 1042 O GLY A 70 5.880 11.620 -5.890 1.00 0.00 O ATOM 0 H GLY A 70 2.355 13.261 -4.949 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.142 13.825 -6.465 1.00 0.00 H new ATOM 0 HA3 GLY A 70 5.229 13.992 -5.101 1.00 0.00 H new ATOM 1046 N PHE A 71 3.759 11.106 -5.325 1.00 0.00 N ATOM 1047 CA PHE A 71 3.956 9.669 -5.374 1.00 0.00 C ATOM 1048 C PHE A 71 2.844 9.021 -6.189 1.00 0.00 C ATOM 1049 O PHE A 71 1.715 9.502 -6.196 1.00 0.00 O ATOM 1050 CB PHE A 71 3.948 9.098 -3.956 1.00 0.00 C ATOM 1051 CG PHE A 71 4.486 10.044 -2.918 1.00 0.00 C ATOM 1052 CD1 PHE A 71 5.725 10.644 -3.083 1.00 0.00 C ATOM 1053 CD2 PHE A 71 3.750 10.338 -1.778 1.00 0.00 C ATOM 1054 CE1 PHE A 71 6.220 11.519 -2.133 1.00 0.00 C ATOM 1055 CE2 PHE A 71 4.240 11.211 -0.826 1.00 0.00 C ATOM 1056 CZ PHE A 71 5.476 11.802 -1.004 1.00 0.00 C ATOM 0 H PHE A 71 2.811 11.388 -5.074 1.00 0.00 H new ATOM 0 HA PHE A 71 4.916 9.458 -5.844 1.00 0.00 H new ATOM 0 HB2 PHE A 71 2.927 8.824 -3.690 1.00 0.00 H new ATOM 0 HB3 PHE A 71 4.538 8.182 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.311 10.426 -3.964 1.00 0.00 H new ATOM 0 HD2 PHE A 71 2.783 9.879 -1.634 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.186 11.980 -2.274 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.658 11.431 0.056 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.860 12.485 -0.261 1.00 0.00 H new ATOM 1066 N ASP A 72 3.155 7.925 -6.864 1.00 0.00 N ATOM 1067 CA ASP A 72 2.157 7.229 -7.664 1.00 0.00 C ATOM 1068 C ASP A 72 1.478 6.137 -6.843 1.00 0.00 C ATOM 1069 O ASP A 72 1.745 4.952 -7.038 1.00 0.00 O ATOM 1070 CB ASP A 72 2.802 6.624 -8.912 1.00 0.00 C ATOM 1071 CG ASP A 72 1.789 5.956 -9.821 1.00 0.00 C ATOM 1072 OD1 ASP A 72 0.769 6.599 -10.146 1.00 0.00 O ATOM 1073 OD2 ASP A 72 2.015 4.790 -10.209 1.00 0.00 O ATOM 0 H ASP A 72 4.082 7.500 -6.875 1.00 0.00 H new ATOM 0 HA ASP A 72 1.402 7.951 -7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.321 7.407 -9.465 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.553 5.894 -8.611 1.00 0.00 H new ATOM 1078 N ALA A 73 0.596 6.539 -5.926 1.00 0.00 N ATOM 1079 CA ALA A 73 -0.109 5.580 -5.083 1.00 0.00 C ATOM 1080 C ALA A 73 -1.347 5.020 -5.774 1.00 0.00 C ATOM 1081 O ALA A 73 -2.059 5.731 -6.482 1.00 0.00 O ATOM 1082 CB ALA A 73 -0.507 6.228 -3.767 1.00 0.00 C ATOM 0 H ALA A 73 0.356 7.515 -5.751 1.00 0.00 H new ATOM 0 HA ALA A 73 0.574 4.752 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.032 5.501 -3.148 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.387 6.571 -3.245 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.161 7.078 -3.963 1.00 0.00 H new ATOM 1088 N ILE A 74 -1.599 3.738 -5.541 1.00 0.00 N ATOM 1089 CA ILE A 74 -2.755 3.059 -6.111 1.00 0.00 C ATOM 1090 C ILE A 74 -3.448 2.222 -5.042 1.00 0.00 C ATOM 1091 O ILE A 74 -2.811 1.776 -4.093 1.00 0.00 O ATOM 1092 CB ILE A 74 -2.354 2.147 -7.289 1.00 0.00 C ATOM 1093 CG1 ILE A 74 -1.321 1.110 -6.835 1.00 0.00 C ATOM 1094 CG2 ILE A 74 -1.810 2.979 -8.441 1.00 0.00 C ATOM 1095 CD1 ILE A 74 -1.774 -0.320 -7.037 1.00 0.00 C ATOM 0 H ILE A 74 -1.012 3.143 -4.956 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.435 3.825 -6.485 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.241 1.617 -7.637 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.392 1.270 -7.383 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -1.099 1.267 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.531 2.322 -9.265 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.575 3.678 -8.778 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.933 3.534 -8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.994 -1.000 -6.694 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.686 -0.497 -6.467 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.968 -0.494 -8.095 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.747 2.005 -5.199 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.498 1.214 -4.232 1.00 0.00 C ATOM 1109 C VAL A 75 -5.805 -0.170 -4.786 1.00 0.00 C ATOM 1110 O VAL A 75 -6.219 -0.313 -5.937 1.00 0.00 O ATOM 1111 CB VAL A 75 -6.811 1.912 -3.821 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -7.634 1.020 -2.899 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -6.509 3.244 -3.150 1.00 0.00 C ATOM 0 H VAL A 75 -5.299 2.362 -5.979 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.872 1.114 -3.345 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.399 2.099 -4.720 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.555 1.534 -2.623 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.877 0.091 -3.414 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.059 0.797 -2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.443 3.728 -2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.902 3.074 -2.261 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.966 3.886 -3.843 1.00 0.00 H new ATOM 1123 N ILE A 76 -5.595 -1.188 -3.960 1.00 0.00 N ATOM 1124 CA ILE A 76 -5.845 -2.560 -4.367 1.00 0.00 C ATOM 1125 C ILE A 76 -6.580 -3.337 -3.276 1.00 0.00 C ATOM 1126 O ILE A 76 -6.281 -3.199 -2.085 1.00 0.00 O ATOM 1127 CB ILE A 76 -4.530 -3.288 -4.709 1.00 0.00 C ATOM 1128 CG1 ILE A 76 -4.818 -4.710 -5.198 1.00 0.00 C ATOM 1129 CG2 ILE A 76 -3.605 -3.312 -3.500 1.00 0.00 C ATOM 1130 CD1 ILE A 76 -3.571 -5.495 -5.543 1.00 0.00 C ATOM 0 H ILE A 76 -5.252 -1.086 -3.005 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.472 -2.518 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.031 -2.744 -5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.373 -5.245 -4.427 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -5.461 -4.660 -6.077 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.681 -3.830 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.376 -2.290 -3.197 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -4.095 -3.833 -2.677 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -3.851 -6.492 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.026 -4.982 -6.336 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.937 -5.576 -4.660 1.00 0.00 H new