USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 405 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 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -145:sc= -0.0489 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 174:sc= 0 (180deg=-0.0188) USER MOD Single : A 21 ASN : amide:sc= -0.205 K(o=-0.21,f=-1.8!) USER MOD Single : A 23 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.5) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 69:sc= -1.09 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -12:sc= -1.12 USER MOD Single : A 59 ASN : amide:sc= -2.24 X(o=-2.2,f=-2.3!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.127 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.156 6.436 -4.848 1.00 0.00 N ATOM 131 CA LYS A 10 54.466 5.408 -5.898 1.00 0.00 C ATOM 132 C LYS A 10 55.743 4.621 -5.558 1.00 0.00 C ATOM 133 O LYS A 10 56.434 4.152 -6.422 1.00 0.00 O ATOM 134 CB LYS A 10 54.658 6.199 -7.191 1.00 0.00 C ATOM 135 CG LYS A 10 54.868 5.215 -8.331 1.00 0.00 C ATOM 136 CD LYS A 10 54.361 5.818 -9.643 1.00 0.00 C ATOM 137 CE LYS A 10 52.832 5.854 -9.632 1.00 0.00 C ATOM 138 NZ LYS A 10 52.412 4.556 -10.229 1.00 0.00 N ATOM 0 HA LYS A 10 53.666 4.671 -5.977 1.00 0.00 H new ATOM 0 HB2 LYS A 10 53.787 6.824 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 10 55.516 6.866 -7.103 1.00 0.00 H new ATOM 0 HG2 LYS A 10 55.926 4.969 -8.419 1.00 0.00 H new ATOM 0 HG3 LYS A 10 54.341 4.285 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.758 6.825 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.715 5.227 -10.488 1.00 0.00 H new ATOM 0 HE2 LYS A 10 52.447 5.965 -8.618 1.00 0.00 H new ATOM 0 HE3 LYS A 10 52.453 6.696 -10.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 51.374 4.506 -10.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 52.787 4.481 -11.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 52.782 3.773 -9.653 1.00 0.00 H new ATOM 152 N VAL A 11 56.024 4.459 -4.305 1.00 0.00 N ATOM 153 CA VAL A 11 57.254 3.724 -3.843 1.00 0.00 C ATOM 154 C VAL A 11 57.335 2.363 -4.497 1.00 0.00 C ATOM 155 O VAL A 11 56.357 1.848 -4.992 1.00 0.00 O ATOM 156 CB VAL A 11 57.117 3.562 -2.328 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.177 4.937 -1.663 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.791 2.874 -1.988 1.00 0.00 C ATOM 0 H VAL A 11 55.441 4.812 -3.546 1.00 0.00 H new ATOM 0 HA VAL A 11 58.158 4.272 -4.109 1.00 0.00 H new ATOM 0 HB VAL A 11 57.935 2.944 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.080 4.824 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.131 5.411 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.363 5.558 -2.037 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.705 2.764 -0.907 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.962 3.477 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.761 1.890 -2.456 1.00 0.00 H new ATOM 168 N VAL A 12 58.507 1.799 -4.538 1.00 0.00 N ATOM 169 CA VAL A 12 58.666 0.491 -5.223 1.00 0.00 C ATOM 170 C VAL A 12 58.610 -0.670 -4.202 1.00 0.00 C ATOM 171 O VAL A 12 58.497 -0.458 -3.015 1.00 0.00 O ATOM 172 CB VAL A 12 60.043 0.621 -5.941 1.00 0.00 C ATOM 173 CG1 VAL A 12 60.954 -0.605 -5.769 1.00 0.00 C ATOM 174 CG2 VAL A 12 59.806 0.827 -7.430 1.00 0.00 C ATOM 0 H VAL A 12 59.358 2.185 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 12 57.871 0.261 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 12 60.551 1.468 -5.480 1.00 0.00 H new ATOM 0 HG11 VAL A 12 61.893 -0.438 -6.297 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.157 -0.762 -4.710 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.459 -1.486 -6.178 1.00 0.00 H new ATOM 0 HG21 VAL A 12 60.764 0.919 -7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.260 -0.026 -7.833 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.224 1.736 -7.583 1.00 0.00 H new ATOM 184 N ALA A 13 58.714 -1.889 -4.672 1.00 0.00 N ATOM 185 CA ALA A 13 58.693 -3.069 -3.757 1.00 0.00 C ATOM 186 C ALA A 13 60.009 -3.846 -3.880 1.00 0.00 C ATOM 187 O ALA A 13 60.663 -3.808 -4.905 1.00 0.00 O ATOM 188 CB ALA A 13 57.531 -3.930 -4.241 1.00 0.00 C ATOM 0 H ALA A 13 58.814 -2.117 -5.661 1.00 0.00 H new ATOM 0 HA ALA A 13 58.579 -2.778 -2.713 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.452 -4.819 -3.615 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.605 -3.359 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.705 -4.228 -5.275 1.00 0.00 H new ATOM 194 N LEU A 14 60.397 -4.550 -2.847 1.00 0.00 N ATOM 195 CA LEU A 14 61.671 -5.331 -2.905 1.00 0.00 C ATOM 196 C LEU A 14 61.401 -6.832 -2.735 1.00 0.00 C ATOM 197 O LEU A 14 62.170 -7.659 -3.192 1.00 0.00 O ATOM 198 CB LEU A 14 62.516 -4.806 -1.745 1.00 0.00 C ATOM 199 CG LEU A 14 62.861 -3.336 -1.992 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.329 -2.692 -0.686 1.00 0.00 C ATOM 201 CD2 LEU A 14 63.980 -3.246 -3.034 1.00 0.00 C ATOM 0 H LEU A 14 59.887 -4.618 -1.966 1.00 0.00 H new ATOM 0 HA LEU A 14 62.173 -5.212 -3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 14 61.971 -4.910 -0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.429 -5.394 -1.650 1.00 0.00 H new ATOM 0 HG LEU A 14 61.978 -2.812 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.574 -1.645 -0.864 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.534 -2.757 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.213 -3.214 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.228 -2.200 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.862 -3.771 -2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.647 -3.704 -3.966 1.00 0.00 H new ATOM 213 N TYR A 15 60.322 -7.191 -2.083 1.00 0.00 N ATOM 214 CA TYR A 15 60.012 -8.642 -1.885 1.00 0.00 C ATOM 215 C TYR A 15 58.498 -8.876 -1.891 1.00 0.00 C ATOM 216 O TYR A 15 57.717 -7.945 -1.948 1.00 0.00 O ATOM 217 CB TYR A 15 60.601 -8.992 -0.518 1.00 0.00 C ATOM 218 CG TYR A 15 62.099 -8.796 -0.550 1.00 0.00 C ATOM 219 CD1 TYR A 15 62.912 -9.727 -1.206 1.00 0.00 C ATOM 220 CD2 TYR A 15 62.672 -7.683 0.076 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.301 -9.546 -1.237 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.060 -7.501 0.046 1.00 0.00 C ATOM 223 CZ TYR A 15 64.874 -8.432 -0.611 1.00 0.00 C ATOM 224 OH TYR A 15 66.242 -8.252 -0.642 1.00 0.00 O ATOM 0 H TYR A 15 59.644 -6.544 -1.680 1.00 0.00 H new ATOM 0 HA TYR A 15 60.428 -9.259 -2.681 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.157 -8.362 0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.364 -10.025 -0.261 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.469 -10.585 -1.689 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.044 -6.965 0.582 1.00 0.00 H new ATOM 0 HE1 TYR A 15 64.929 -10.265 -1.743 1.00 0.00 H new ATOM 0 HE2 TYR A 15 64.503 -6.643 0.529 1.00 0.00 H new ATOM 0 HH TYR A 15 66.475 -7.430 -0.162 1.00 0.00 H new ATOM 234 N ASP A 16 58.085 -10.118 -1.836 1.00 0.00 N ATOM 235 CA ASP A 16 56.624 -10.431 -1.842 1.00 0.00 C ATOM 236 C ASP A 16 56.057 -10.381 -0.421 1.00 0.00 C ATOM 237 O ASP A 16 56.719 -10.742 0.534 1.00 0.00 O ATOM 238 CB ASP A 16 56.528 -11.850 -2.407 1.00 0.00 C ATOM 239 CG ASP A 16 56.694 -11.807 -3.927 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.825 -11.863 -4.381 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.688 -11.718 -4.611 1.00 0.00 O ATOM 0 H ASP A 16 58.700 -10.931 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 16 56.054 -9.713 -2.432 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.298 -12.482 -1.964 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.566 -12.291 -2.148 1.00 0.00 H new ATOM 246 N TYR A 17 54.834 -9.934 -0.279 1.00 0.00 N ATOM 247 CA TYR A 17 54.209 -9.850 1.075 1.00 0.00 C ATOM 248 C TYR A 17 52.681 -9.921 0.940 1.00 0.00 C ATOM 249 O TYR A 17 51.983 -8.948 1.160 1.00 0.00 O ATOM 250 CB TYR A 17 54.677 -8.492 1.624 1.00 0.00 C ATOM 251 CG TYR A 17 53.941 -8.141 2.901 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.174 -8.873 4.071 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.030 -7.078 2.910 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.495 -8.542 5.250 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.351 -6.748 4.087 1.00 0.00 C ATOM 256 CZ TYR A 17 52.583 -7.480 5.257 1.00 0.00 C ATOM 257 OH TYR A 17 51.914 -7.153 6.419 1.00 0.00 O ATOM 0 H TYR A 17 54.240 -9.622 -1.047 1.00 0.00 H new ATOM 0 HA TYR A 17 54.493 -10.665 1.741 1.00 0.00 H new ATOM 0 HB2 TYR A 17 55.750 -8.523 1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.508 -7.716 0.877 1.00 0.00 H new ATOM 0 HD1 TYR A 17 54.877 -9.693 4.064 1.00 0.00 H new ATOM 0 HD2 TYR A 17 52.852 -6.513 2.007 1.00 0.00 H new ATOM 0 HE1 TYR A 17 53.675 -9.106 6.153 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.648 -5.928 4.093 1.00 0.00 H new ATOM 0 HH TYR A 17 51.008 -6.850 6.201 1.00 0.00 H new ATOM 267 N MET A 18 52.164 -11.068 0.579 1.00 0.00 N ATOM 268 CA MET A 18 50.682 -11.216 0.428 1.00 0.00 C ATOM 269 C MET A 18 49.984 -10.962 1.774 1.00 0.00 C ATOM 270 O MET A 18 50.624 -10.999 2.805 1.00 0.00 O ATOM 271 CB MET A 18 50.463 -12.661 -0.026 1.00 0.00 C ATOM 272 CG MET A 18 50.486 -12.725 -1.554 1.00 0.00 C ATOM 273 SD MET A 18 49.864 -14.335 -2.101 1.00 0.00 S ATOM 274 CE MET A 18 50.286 -14.159 -3.851 1.00 0.00 C ATOM 0 H MET A 18 52.704 -11.911 0.382 1.00 0.00 H new ATOM 0 HA MET A 18 50.270 -10.502 -0.285 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.239 -13.305 0.387 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.509 -13.031 0.350 1.00 0.00 H new ATOM 0 HG2 MET A 18 49.873 -11.926 -1.971 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.501 -12.572 -1.920 1.00 0.00 H new ATOM 0 HE1 MET A 18 49.985 -15.057 -4.390 1.00 0.00 H new ATOM 0 HE2 MET A 18 49.766 -13.295 -4.266 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.362 -14.018 -3.953 1.00 0.00 H new ATOM 284 N PRO A 19 48.688 -10.698 1.735 1.00 0.00 N ATOM 285 CA PRO A 19 47.940 -10.428 2.985 1.00 0.00 C ATOM 286 C PRO A 19 47.827 -11.694 3.841 1.00 0.00 C ATOM 287 O PRO A 19 47.996 -12.798 3.359 1.00 0.00 O ATOM 288 CB PRO A 19 46.564 -9.990 2.468 1.00 0.00 C ATOM 289 CG PRO A 19 46.580 -10.034 0.928 1.00 0.00 C ATOM 290 CD PRO A 19 47.903 -10.648 0.471 1.00 0.00 C ATOM 0 HA PRO A 19 48.418 -9.686 3.624 1.00 0.00 H new ATOM 0 HB2 PRO A 19 45.787 -10.648 2.857 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.333 -8.983 2.815 1.00 0.00 H new ATOM 0 HG2 PRO A 19 45.741 -10.624 0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.468 -9.030 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 19 47.763 -11.640 0.041 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.393 -10.038 -0.287 1.00 0.00 H new ATOM 298 N MET A 20 47.532 -11.532 5.105 1.00 0.00 N ATOM 299 CA MET A 20 47.392 -12.713 6.008 1.00 0.00 C ATOM 300 C MET A 20 45.953 -12.788 6.522 1.00 0.00 C ATOM 301 O MET A 20 45.315 -13.822 6.467 1.00 0.00 O ATOM 302 CB MET A 20 48.359 -12.451 7.165 1.00 0.00 C ATOM 303 CG MET A 20 49.789 -12.347 6.631 1.00 0.00 C ATOM 304 SD MET A 20 50.542 -13.993 6.599 1.00 0.00 S ATOM 305 CE MET A 20 50.993 -14.001 4.847 1.00 0.00 C ATOM 0 H MET A 20 47.381 -10.628 5.552 1.00 0.00 H new ATOM 0 HA MET A 20 47.614 -13.655 5.506 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.085 -11.530 7.679 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.292 -13.256 7.897 1.00 0.00 H new ATOM 0 HG2 MET A 20 49.784 -11.918 5.629 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.376 -11.679 7.261 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.575 -14.895 4.625 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.089 -13.997 4.238 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.587 -13.116 4.620 1.00 0.00 H new ATOM 315 N ASN A 21 45.445 -11.690 7.015 1.00 0.00 N ATOM 316 CA ASN A 21 44.045 -11.667 7.531 1.00 0.00 C ATOM 317 C ASN A 21 43.213 -10.660 6.733 1.00 0.00 C ATOM 318 O ASN A 21 42.232 -11.008 6.105 1.00 0.00 O ATOM 319 CB ASN A 21 44.166 -11.228 8.991 1.00 0.00 C ATOM 320 CG ASN A 21 44.216 -12.462 9.892 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.608 -13.471 9.595 1.00 0.00 O ATOM 322 ND2 ASN A 21 44.919 -12.425 10.991 1.00 0.00 N ATOM 0 H ASN A 21 45.943 -10.802 7.083 1.00 0.00 H new ATOM 0 HA ASN A 21 43.552 -12.635 7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.066 -10.628 9.128 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.319 -10.599 9.264 1.00 0.00 H new ATOM 0 HD21 ASN A 21 44.958 -13.243 11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.430 -11.578 11.241 1.00 0.00 H new ATOM 329 N ALA A 22 43.608 -9.415 6.755 1.00 0.00 N ATOM 330 CA ALA A 22 42.858 -8.365 5.998 1.00 0.00 C ATOM 331 C ALA A 22 43.650 -7.056 5.984 1.00 0.00 C ATOM 332 O ALA A 22 43.714 -6.370 4.981 1.00 0.00 O ATOM 333 CB ALA A 22 41.540 -8.186 6.755 1.00 0.00 C ATOM 0 H ALA A 22 44.422 -9.076 7.267 1.00 0.00 H new ATOM 0 HA ALA A 22 42.693 -8.649 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 22 40.934 -7.429 6.257 1.00 0.00 H new ATOM 0 HB2 ALA A 22 40.998 -9.132 6.770 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.748 -7.870 7.777 1.00 0.00 H new ATOM 339 N ASN A 23 44.256 -6.710 7.091 1.00 0.00 N ATOM 340 CA ASN A 23 45.054 -5.446 7.153 1.00 0.00 C ATOM 341 C ASN A 23 46.179 -5.463 6.138 1.00 0.00 C ATOM 342 O ASN A 23 46.345 -4.549 5.355 1.00 0.00 O ATOM 343 CB ASN A 23 45.674 -5.410 8.542 1.00 0.00 C ATOM 344 CG ASN A 23 44.763 -4.642 9.500 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.302 -3.563 9.185 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.482 -5.156 10.666 1.00 0.00 N ATOM 0 H ASN A 23 44.233 -7.249 7.957 1.00 0.00 H new ATOM 0 HA ASN A 23 44.417 -4.586 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 23 45.827 -6.425 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.654 -4.935 8.500 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.875 -4.652 11.313 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.869 -6.062 10.931 1.00 0.00 H new ATOM 353 N ASP A 24 46.985 -6.487 6.193 1.00 0.00 N ATOM 354 CA ASP A 24 48.162 -6.586 5.284 1.00 0.00 C ATOM 355 C ASP A 24 47.790 -6.270 3.827 1.00 0.00 C ATOM 356 O ASP A 24 46.697 -6.557 3.377 1.00 0.00 O ATOM 357 CB ASP A 24 48.651 -8.027 5.420 1.00 0.00 C ATOM 358 CG ASP A 24 49.143 -8.271 6.849 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.656 -7.340 7.447 1.00 0.00 O ATOM 360 OD2 ASP A 24 48.998 -9.388 7.320 1.00 0.00 O ATOM 0 H ASP A 24 46.877 -7.270 6.838 1.00 0.00 H new ATOM 0 HA ASP A 24 48.930 -5.861 5.553 1.00 0.00 H new ATOM 0 HB2 ASP A 24 47.844 -8.719 5.179 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.456 -8.217 4.710 1.00 0.00 H new ATOM 365 N LEU A 25 48.697 -5.672 3.099 1.00 0.00 N ATOM 366 CA LEU A 25 48.418 -5.317 1.679 1.00 0.00 C ATOM 367 C LEU A 25 49.086 -6.338 0.751 1.00 0.00 C ATOM 368 O LEU A 25 50.107 -6.912 1.083 1.00 0.00 O ATOM 369 CB LEU A 25 49.018 -3.914 1.491 1.00 0.00 C ATOM 370 CG LEU A 25 48.783 -3.444 0.049 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.281 -3.299 -0.211 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.458 -2.089 -0.172 1.00 0.00 C ATOM 0 H LEU A 25 49.626 -5.413 3.432 1.00 0.00 H new ATOM 0 HA LEU A 25 47.354 -5.326 1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.561 -3.215 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.086 -3.932 1.709 1.00 0.00 H new ATOM 0 HG LEU A 25 49.205 -4.181 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.120 -2.965 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.791 -4.261 -0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 25 46.861 -2.567 0.479 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.288 -1.761 -1.197 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.039 -1.357 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.529 -2.183 0.006 1.00 0.00 H new ATOM 384 N GLN A 26 48.508 -6.581 -0.398 1.00 0.00 N ATOM 385 CA GLN A 26 49.096 -7.579 -1.344 1.00 0.00 C ATOM 386 C GLN A 26 50.248 -6.964 -2.138 1.00 0.00 C ATOM 387 O GLN A 26 50.076 -6.524 -3.260 1.00 0.00 O ATOM 388 CB GLN A 26 47.949 -7.968 -2.278 1.00 0.00 C ATOM 389 CG GLN A 26 48.303 -9.264 -3.009 1.00 0.00 C ATOM 390 CD GLN A 26 47.164 -9.642 -3.958 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.642 -8.804 -4.664 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.753 -10.881 -4.003 1.00 0.00 N ATOM 0 H GLN A 26 47.652 -6.131 -0.723 1.00 0.00 H new ATOM 0 HA GLN A 26 49.507 -8.441 -0.818 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.030 -8.099 -1.707 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.766 -7.170 -2.998 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.230 -9.137 -3.569 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.472 -10.065 -2.290 1.00 0.00 H new ATOM 0 HE21 GLN A 26 47.191 -11.586 -3.410 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.994 -11.144 -4.631 1.00 0.00 H new ATOM 401 N LEU A 27 51.422 -6.941 -1.563 1.00 0.00 N ATOM 402 CA LEU A 27 52.599 -6.368 -2.272 1.00 0.00 C ATOM 403 C LEU A 27 53.257 -7.436 -3.155 1.00 0.00 C ATOM 404 O LEU A 27 52.699 -8.492 -3.388 1.00 0.00 O ATOM 405 CB LEU A 27 53.545 -5.919 -1.155 1.00 0.00 C ATOM 406 CG LEU A 27 53.179 -4.499 -0.722 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.303 -4.558 0.529 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.455 -3.710 -0.413 1.00 0.00 C ATOM 0 H LEU A 27 51.615 -7.297 -0.627 1.00 0.00 H new ATOM 0 HA LEU A 27 52.331 -5.543 -2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.473 -6.600 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.578 -5.951 -1.503 1.00 0.00 H new ATOM 0 HG LEU A 27 52.634 -4.005 -1.527 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.042 -3.546 0.838 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.393 -5.117 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.849 -5.053 1.332 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.192 -2.698 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.002 -4.203 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.081 -3.666 -1.305 1.00 0.00 H new ATOM 420 N ARG A 28 54.434 -7.160 -3.648 1.00 0.00 N ATOM 421 CA ARG A 28 55.148 -8.137 -4.523 1.00 0.00 C ATOM 422 C ARG A 28 56.598 -7.682 -4.720 1.00 0.00 C ATOM 423 O ARG A 28 57.065 -6.782 -4.046 1.00 0.00 O ATOM 424 CB ARG A 28 54.388 -8.112 -5.855 1.00 0.00 C ATOM 425 CG ARG A 28 53.595 -9.412 -6.023 1.00 0.00 C ATOM 426 CD ARG A 28 52.280 -9.120 -6.752 1.00 0.00 C ATOM 427 NE ARG A 28 52.091 -10.270 -7.679 1.00 0.00 N ATOM 428 CZ ARG A 28 50.897 -10.568 -8.114 1.00 0.00 C ATOM 429 NH1 ARG A 28 49.956 -10.887 -7.267 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.645 -10.547 -9.393 1.00 0.00 N ATOM 0 H ARG A 28 54.938 -6.289 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 28 55.176 -9.140 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.713 -7.257 -5.883 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.088 -7.993 -6.682 1.00 0.00 H new ATOM 0 HG2 ARG A 28 54.182 -10.138 -6.586 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.392 -9.855 -5.048 1.00 0.00 H new ATOM 0 HD2 ARG A 28 51.450 -9.037 -6.051 1.00 0.00 H new ATOM 0 HD3 ARG A 28 52.332 -8.178 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 28 52.895 -10.825 -7.974 1.00 0.00 H new ATOM 0 HH11 ARG A 28 50.154 -10.903 -6.267 1.00 0.00 H new ATOM 0 HH12 ARG A 28 49.023 -11.120 -7.606 1.00 0.00 H new ATOM 0 HH21 ARG A 28 51.381 -10.298 -10.054 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.712 -10.780 -9.733 1.00 0.00 H new ATOM 444 N LYS A 29 57.309 -8.293 -5.633 1.00 0.00 N ATOM 445 CA LYS A 29 58.724 -7.895 -5.868 1.00 0.00 C ATOM 446 C LYS A 29 58.862 -7.158 -7.200 1.00 0.00 C ATOM 447 O LYS A 29 58.503 -7.665 -8.245 1.00 0.00 O ATOM 448 CB LYS A 29 59.512 -9.206 -5.885 1.00 0.00 C ATOM 449 CG LYS A 29 61.004 -8.907 -6.045 1.00 0.00 C ATOM 450 CD LYS A 29 61.747 -10.191 -6.414 1.00 0.00 C ATOM 451 CE LYS A 29 61.820 -10.319 -7.937 1.00 0.00 C ATOM 452 NZ LYS A 29 63.152 -10.930 -8.207 1.00 0.00 N ATOM 0 H LYS A 29 56.968 -9.051 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 29 59.090 -7.214 -5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.339 -9.758 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.168 -9.838 -6.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.153 -8.153 -6.818 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.405 -8.497 -5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 29 62.752 -10.177 -5.991 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.235 -11.055 -5.990 1.00 0.00 H new ATOM 0 HE2 LYS A 29 61.014 -10.944 -8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 29 61.726 -9.346 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 63.277 -11.050 -9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.900 -10.309 -7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.210 -11.858 -7.740 1.00 0.00 H new ATOM 466 N GLY A 30 59.378 -5.955 -7.161 1.00 0.00 N ATOM 467 CA GLY A 30 59.543 -5.159 -8.412 1.00 0.00 C ATOM 468 C GLY A 30 58.337 -4.235 -8.598 1.00 0.00 C ATOM 469 O GLY A 30 58.429 -3.220 -9.261 1.00 0.00 O ATOM 0 H GLY A 30 59.693 -5.489 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.460 -4.571 -8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.638 -5.826 -9.269 1.00 0.00 H new ATOM 473 N ASP A 31 57.211 -4.573 -8.015 1.00 0.00 N ATOM 474 CA ASP A 31 56.004 -3.708 -8.159 1.00 0.00 C ATOM 475 C ASP A 31 56.190 -2.424 -7.351 1.00 0.00 C ATOM 476 O ASP A 31 57.207 -2.229 -6.719 1.00 0.00 O ATOM 477 CB ASP A 31 54.843 -4.533 -7.599 1.00 0.00 C ATOM 478 CG ASP A 31 54.191 -5.331 -8.729 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.811 -6.271 -9.199 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.083 -4.988 -9.108 1.00 0.00 O ATOM 0 H ASP A 31 57.079 -5.410 -7.447 1.00 0.00 H new ATOM 0 HA ASP A 31 55.824 -3.417 -9.194 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.204 -5.209 -6.824 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.108 -3.877 -7.133 1.00 0.00 H new ATOM 485 N GLU A 32 55.218 -1.550 -7.364 1.00 0.00 N ATOM 486 CA GLU A 32 55.336 -0.273 -6.589 1.00 0.00 C ATOM 487 C GLU A 32 53.968 0.068 -5.988 1.00 0.00 C ATOM 488 O GLU A 32 52.956 -0.456 -6.415 1.00 0.00 O ATOM 489 CB GLU A 32 55.767 0.799 -7.604 1.00 0.00 C ATOM 490 CG GLU A 32 56.941 0.309 -8.464 1.00 0.00 C ATOM 491 CD GLU A 32 56.406 -0.434 -9.693 1.00 0.00 C ATOM 492 OE1 GLU A 32 55.330 -0.084 -10.152 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.082 -1.337 -10.156 1.00 0.00 O ATOM 0 H GLU A 32 54.344 -1.663 -7.878 1.00 0.00 H new ATOM 0 HA GLU A 32 56.055 -0.343 -5.773 1.00 0.00 H new ATOM 0 HB2 GLU A 32 54.924 1.055 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.054 1.709 -7.076 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.553 1.155 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.583 -0.350 -7.879 1.00 0.00 H new ATOM 500 N TYR A 33 53.925 0.910 -4.983 1.00 0.00 N ATOM 501 CA TYR A 33 52.618 1.242 -4.342 1.00 0.00 C ATOM 502 C TYR A 33 52.516 2.727 -4.017 1.00 0.00 C ATOM 503 O TYR A 33 53.425 3.498 -4.247 1.00 0.00 O ATOM 504 CB TYR A 33 52.572 0.455 -3.032 1.00 0.00 C ATOM 505 CG TYR A 33 53.202 -0.908 -3.189 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.446 -1.969 -3.691 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.542 -1.099 -2.845 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.030 -3.225 -3.850 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.127 -2.355 -3.002 1.00 0.00 C ATOM 510 CZ TYR A 33 54.370 -3.420 -3.504 1.00 0.00 C ATOM 511 OH TYR A 33 54.949 -4.656 -3.670 1.00 0.00 O ATOM 0 H TYR A 33 54.737 1.379 -4.582 1.00 0.00 H new ATOM 0 HA TYR A 33 51.799 0.992 -5.016 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.093 1.011 -2.253 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.537 0.345 -2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.410 -1.817 -3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.124 -0.276 -2.458 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.447 -4.046 -4.240 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.163 -2.506 -2.737 1.00 0.00 H new ATOM 0 HH TYR A 33 55.038 -4.850 -4.627 1.00 0.00 H new ATOM 521 N PHE A 34 51.405 3.113 -3.454 1.00 0.00 N ATOM 522 CA PHE A 34 51.188 4.542 -3.081 1.00 0.00 C ATOM 523 C PHE A 34 51.266 4.722 -1.565 1.00 0.00 C ATOM 524 O PHE A 34 50.569 4.065 -0.818 1.00 0.00 O ATOM 525 CB PHE A 34 49.779 4.862 -3.570 1.00 0.00 C ATOM 526 CG PHE A 34 49.836 5.386 -4.985 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.461 4.632 -5.986 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.261 6.623 -5.298 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.512 5.116 -7.298 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.312 7.108 -6.610 1.00 0.00 C ATOM 531 CZ PHE A 34 49.938 6.355 -7.611 1.00 0.00 C ATOM 0 H PHE A 34 50.627 2.492 -3.233 1.00 0.00 H new ATOM 0 HA PHE A 34 51.943 5.196 -3.518 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.158 3.967 -3.528 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.317 5.602 -2.917 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.904 3.677 -5.745 1.00 0.00 H new ATOM 0 HD2 PHE A 34 48.777 7.204 -4.526 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.994 4.534 -8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 34 48.869 8.063 -6.850 1.00 0.00 H new ATOM 0 HZ PHE A 34 49.978 6.729 -8.623 1.00 0.00 H new ATOM 541 N ILE A 35 52.107 5.613 -1.111 1.00 0.00 N ATOM 542 CA ILE A 35 52.242 5.848 0.358 1.00 0.00 C ATOM 543 C ILE A 35 51.350 7.003 0.812 1.00 0.00 C ATOM 544 O ILE A 35 51.396 8.093 0.273 1.00 0.00 O ATOM 545 CB ILE A 35 53.718 6.205 0.573 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.622 5.074 0.062 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.987 6.436 2.063 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.286 3.759 0.773 1.00 0.00 C ATOM 0 H ILE A 35 52.709 6.191 -1.697 1.00 0.00 H new ATOM 0 HA ILE A 35 51.938 4.973 0.933 1.00 0.00 H new ATOM 0 HB ILE A 35 53.938 7.116 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.494 4.956 -1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.668 5.330 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 35 55.037 6.689 2.208 1.00 0.00 H new ATOM 0 HG22 ILE A 35 53.363 7.254 2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.752 5.529 2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.935 2.967 0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.437 3.877 1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.246 3.496 0.580 1.00 0.00 H new ATOM 560 N LEU A 36 50.554 6.767 1.820 1.00 0.00 N ATOM 561 CA LEU A 36 49.663 7.837 2.352 1.00 0.00 C ATOM 562 C LEU A 36 50.135 8.247 3.754 1.00 0.00 C ATOM 563 O LEU A 36 49.936 9.366 4.185 1.00 0.00 O ATOM 564 CB LEU A 36 48.275 7.201 2.414 1.00 0.00 C ATOM 565 CG LEU A 36 47.737 7.011 0.995 1.00 0.00 C ATOM 566 CD1 LEU A 36 48.290 5.711 0.409 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.209 6.940 1.036 1.00 0.00 C ATOM 0 H LEU A 36 50.483 5.871 2.301 1.00 0.00 H new ATOM 0 HA LEU A 36 49.666 8.735 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.326 6.240 2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.599 7.834 2.989 1.00 0.00 H new ATOM 0 HG LEU A 36 48.047 7.851 0.373 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.906 5.576 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 36 49.379 5.759 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.980 4.871 1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.824 6.805 0.025 1.00 0.00 H new ATOM 0 HD22 LEU A 36 45.900 6.099 1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.813 7.865 1.454 1.00 0.00 H new ATOM 579 N GLU A 37 50.765 7.341 4.463 1.00 0.00 N ATOM 580 CA GLU A 37 51.265 7.652 5.836 1.00 0.00 C ATOM 581 C GLU A 37 52.122 6.485 6.333 1.00 0.00 C ATOM 582 O GLU A 37 51.754 5.334 6.177 1.00 0.00 O ATOM 583 CB GLU A 37 50.012 7.805 6.701 1.00 0.00 C ATOM 584 CG GLU A 37 50.216 8.946 7.700 1.00 0.00 C ATOM 585 CD GLU A 37 51.237 8.523 8.758 1.00 0.00 C ATOM 586 OE1 GLU A 37 50.860 7.785 9.653 1.00 0.00 O ATOM 587 OE2 GLU A 37 52.377 8.945 8.656 1.00 0.00 O ATOM 0 H GLU A 37 50.955 6.391 4.144 1.00 0.00 H new ATOM 0 HA GLU A 37 51.879 8.552 5.866 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.146 8.009 6.072 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.808 6.875 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 37 50.563 9.840 7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 37 49.269 9.201 8.175 1.00 0.00 H new ATOM 653 N PRO A 42 58.122 1.532 10.795 1.00 0.00 N ATOM 654 CA PRO A 42 58.448 0.791 9.539 1.00 0.00 C ATOM 655 C PRO A 42 57.199 0.334 8.769 1.00 0.00 C ATOM 656 O PRO A 42 57.138 0.468 7.561 1.00 0.00 O ATOM 657 CB PRO A 42 59.268 -0.398 10.053 1.00 0.00 C ATOM 658 CG PRO A 42 59.400 -0.277 11.583 1.00 0.00 C ATOM 659 CD PRO A 42 58.860 1.093 12.011 1.00 0.00 C ATOM 0 HA PRO A 42 58.980 1.409 8.816 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.781 -1.337 9.788 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.254 -0.408 9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.843 -1.074 12.075 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.442 -0.384 11.883 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.206 1.020 12.880 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.662 1.783 12.272 1.00 0.00 H new ATOM 667 N TRP A 43 56.211 -0.196 9.442 1.00 0.00 N ATOM 668 CA TRP A 43 54.979 -0.649 8.722 1.00 0.00 C ATOM 669 C TRP A 43 54.110 0.567 8.380 1.00 0.00 C ATOM 670 O TRP A 43 53.793 1.374 9.232 1.00 0.00 O ATOM 671 CB TRP A 43 54.257 -1.566 9.708 1.00 0.00 C ATOM 672 CG TRP A 43 55.080 -2.781 9.962 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.980 -2.885 10.950 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.093 -4.054 9.254 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.559 -4.140 10.904 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.043 -4.900 9.873 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.384 -4.554 8.146 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.281 -6.195 9.413 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.620 -5.857 7.680 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.567 -6.676 8.312 1.00 0.00 C ATOM 0 H TRP A 43 56.201 -0.335 10.452 1.00 0.00 H new ATOM 0 HA TRP A 43 55.203 -1.162 7.787 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.074 -1.037 10.643 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.284 -1.852 9.308 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.215 -2.112 11.667 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.278 -4.464 11.551 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.654 -3.931 7.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.011 -6.821 9.904 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.069 -6.231 6.830 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.744 -7.677 7.948 1.00 0.00 H new ATOM 691 N TRP A 44 53.744 0.720 7.133 1.00 0.00 N ATOM 692 CA TRP A 44 52.924 1.897 6.731 1.00 0.00 C ATOM 693 C TRP A 44 51.498 1.484 6.369 1.00 0.00 C ATOM 694 O TRP A 44 51.072 0.373 6.613 1.00 0.00 O ATOM 695 CB TRP A 44 53.606 2.435 5.472 1.00 0.00 C ATOM 696 CG TRP A 44 55.049 2.771 5.703 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.656 2.984 6.898 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.069 2.946 4.691 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.990 3.279 6.668 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.290 3.267 5.319 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.038 2.854 3.294 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.451 3.492 4.575 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.195 3.077 2.540 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.404 3.398 3.178 1.00 0.00 C ATOM 0 H TRP A 44 53.979 0.078 6.376 1.00 0.00 H new ATOM 0 HA TRP A 44 52.859 2.623 7.541 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.531 1.694 4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 44 53.079 3.325 5.129 1.00 0.00 H new ATOM 0 HD1 TRP A 44 55.179 2.932 7.866 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.667 3.480 7.404 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.113 2.609 2.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.378 3.737 5.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.158 3.002 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.295 3.572 2.593 1.00 0.00 H new ATOM 715 N ARG A 45 50.780 2.381 5.748 1.00 0.00 N ATOM 716 CA ARG A 45 49.395 2.088 5.299 1.00 0.00 C ATOM 717 C ARG A 45 49.262 2.608 3.867 1.00 0.00 C ATOM 718 O ARG A 45 48.568 3.570 3.599 1.00 0.00 O ATOM 719 CB ARG A 45 48.483 2.860 6.252 1.00 0.00 C ATOM 720 CG ARG A 45 48.415 2.133 7.597 1.00 0.00 C ATOM 721 CD ARG A 45 47.870 3.083 8.666 1.00 0.00 C ATOM 722 NE ARG A 45 47.328 2.192 9.730 1.00 0.00 N ATOM 723 CZ ARG A 45 46.200 2.486 10.314 1.00 0.00 C ATOM 724 NH1 ARG A 45 46.021 3.671 10.832 1.00 0.00 N ATOM 725 NH2 ARG A 45 45.248 1.596 10.380 1.00 0.00 N ATOM 0 H ARG A 45 51.105 3.323 5.530 1.00 0.00 H new ATOM 0 HA ARG A 45 49.142 1.028 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.861 3.873 6.393 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.484 2.949 5.824 1.00 0.00 H new ATOM 0 HG2 ARG A 45 47.774 1.255 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 45 49.406 1.779 7.881 1.00 0.00 H new ATOM 0 HD2 ARG A 45 48.655 3.731 9.056 1.00 0.00 H new ATOM 0 HD3 ARG A 45 47.093 3.731 8.260 1.00 0.00 H new ATOM 0 HE ARG A 45 47.839 1.352 10.001 1.00 0.00 H new ATOM 0 HH11 ARG A 45 46.764 4.368 10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 45 45.138 3.900 11.289 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.386 0.670 9.975 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.366 1.826 10.837 1.00 0.00 H new ATOM 739 N ALA A 46 49.959 1.984 2.954 1.00 0.00 N ATOM 740 CA ALA A 46 49.935 2.428 1.530 1.00 0.00 C ATOM 741 C ALA A 46 48.971 1.559 0.727 1.00 0.00 C ATOM 742 O ALA A 46 48.426 0.599 1.236 1.00 0.00 O ATOM 743 CB ALA A 46 51.378 2.231 1.043 1.00 0.00 C ATOM 0 H ALA A 46 50.552 1.175 3.138 1.00 0.00 H new ATOM 0 HA ALA A 46 49.599 3.459 1.415 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.454 2.534 -0.001 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.052 2.838 1.647 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.654 1.181 1.137 1.00 0.00 H new ATOM 749 N ARG A 47 48.757 1.886 -0.524 1.00 0.00 N ATOM 750 CA ARG A 47 47.830 1.065 -1.354 1.00 0.00 C ATOM 751 C ARG A 47 48.546 0.558 -2.601 1.00 0.00 C ATOM 752 O ARG A 47 49.507 1.145 -3.057 1.00 0.00 O ATOM 753 CB ARG A 47 46.692 1.997 -1.749 1.00 0.00 C ATOM 754 CG ARG A 47 45.850 2.328 -0.519 1.00 0.00 C ATOM 755 CD ARG A 47 45.382 3.784 -0.592 1.00 0.00 C ATOM 756 NE ARG A 47 44.004 3.717 -1.154 1.00 0.00 N ATOM 757 CZ ARG A 47 43.066 4.488 -0.676 1.00 0.00 C ATOM 758 NH1 ARG A 47 42.816 4.494 0.605 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.377 5.253 -1.478 1.00 0.00 N ATOM 0 H ARG A 47 49.182 2.681 -1.001 1.00 0.00 H new ATOM 0 HA ARG A 47 47.469 0.194 -0.808 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.093 2.912 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.071 1.526 -2.511 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.989 1.661 -0.465 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.434 2.168 0.387 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.384 4.249 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 47 46.039 4.379 -1.227 1.00 0.00 H new ATOM 0 HE ARG A 47 43.794 3.068 -1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 47 43.354 3.896 1.232 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.083 5.097 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 47 42.572 5.249 -2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.644 5.855 -1.104 1.00 0.00 H new ATOM 773 N ASP A 48 48.078 -0.527 -3.154 1.00 0.00 N ATOM 774 CA ASP A 48 48.721 -1.086 -4.374 1.00 0.00 C ATOM 775 C ASP A 48 47.975 -0.624 -5.633 1.00 0.00 C ATOM 776 O ASP A 48 47.276 0.372 -5.620 1.00 0.00 O ATOM 777 CB ASP A 48 48.629 -2.607 -4.200 1.00 0.00 C ATOM 778 CG ASP A 48 47.162 -3.063 -4.137 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.301 -2.226 -3.916 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.927 -4.247 -4.315 1.00 0.00 O ATOM 0 H ASP A 48 47.274 -1.052 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 48 49.752 -0.754 -4.493 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.133 -3.103 -5.029 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.146 -2.905 -3.288 1.00 0.00 H new ATOM 785 N LYS A 49 48.126 -1.340 -6.718 1.00 0.00 N ATOM 786 CA LYS A 49 47.436 -0.949 -7.988 1.00 0.00 C ATOM 787 C LYS A 49 45.933 -1.260 -7.919 1.00 0.00 C ATOM 788 O LYS A 49 45.164 -0.786 -8.734 1.00 0.00 O ATOM 789 CB LYS A 49 48.103 -1.787 -9.080 1.00 0.00 C ATOM 790 CG LYS A 49 49.589 -1.431 -9.162 1.00 0.00 C ATOM 791 CD LYS A 49 49.755 -0.092 -9.882 1.00 0.00 C ATOM 792 CE LYS A 49 49.828 -0.328 -11.392 1.00 0.00 C ATOM 793 NZ LYS A 49 50.289 0.968 -11.962 1.00 0.00 N ATOM 0 H LYS A 49 48.699 -2.182 -6.781 1.00 0.00 H new ATOM 0 HA LYS A 49 47.522 0.121 -8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 49 47.984 -2.848 -8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.621 -1.603 -10.040 1.00 0.00 H new ATOM 0 HG2 LYS A 49 50.015 -1.373 -8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.132 -2.212 -9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.918 0.566 -9.646 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.660 0.408 -9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 49 50.521 -1.134 -11.633 1.00 0.00 H new ATOM 0 HE3 LYS A 49 48.856 -0.613 -11.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 50.364 0.885 -12.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 49.606 1.715 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 51.220 1.210 -11.566 1.00 0.00 H new ATOM 807 N ASN A 50 45.509 -2.053 -6.962 1.00 0.00 N ATOM 808 CA ASN A 50 44.062 -2.393 -6.854 1.00 0.00 C ATOM 809 C ASN A 50 43.307 -1.355 -6.007 1.00 0.00 C ATOM 810 O ASN A 50 42.183 -1.585 -5.602 1.00 0.00 O ATOM 811 CB ASN A 50 44.030 -3.761 -6.172 1.00 0.00 C ATOM 812 CG ASN A 50 44.277 -4.856 -7.212 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.395 -5.293 -7.396 1.00 0.00 O ATOM 814 ND2 ASN A 50 43.273 -5.318 -7.905 1.00 0.00 N ATOM 0 H ASN A 50 46.107 -2.477 -6.253 1.00 0.00 H new ATOM 0 HA ASN A 50 43.577 -2.402 -7.830 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.790 -3.808 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.066 -3.915 -5.688 1.00 0.00 H new ATOM 0 HD21 ASN A 50 43.427 -6.047 -8.602 1.00 0.00 H new ATOM 0 HD22 ASN A 50 42.334 -4.951 -7.750 1.00 0.00 H new ATOM 821 N GLY A 51 43.909 -0.219 -5.737 1.00 0.00 N ATOM 822 CA GLY A 51 43.219 0.824 -4.919 1.00 0.00 C ATOM 823 C GLY A 51 42.899 0.267 -3.529 1.00 0.00 C ATOM 824 O GLY A 51 41.961 0.698 -2.884 1.00 0.00 O ATOM 0 H GLY A 51 44.848 0.028 -6.049 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.852 1.707 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.301 1.139 -5.415 1.00 0.00 H new ATOM 828 N GLN A 52 43.671 -0.685 -3.064 1.00 0.00 N ATOM 829 CA GLN A 52 43.414 -1.270 -1.715 1.00 0.00 C ATOM 830 C GLN A 52 44.551 -0.905 -0.757 1.00 0.00 C ATOM 831 O GLN A 52 45.712 -1.122 -1.048 1.00 0.00 O ATOM 832 CB GLN A 52 43.368 -2.781 -1.939 1.00 0.00 C ATOM 833 CG GLN A 52 41.940 -3.202 -2.291 1.00 0.00 C ATOM 834 CD GLN A 52 41.906 -4.705 -2.571 1.00 0.00 C ATOM 835 OE1 GLN A 52 41.851 -5.123 -3.710 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.935 -5.543 -1.570 1.00 0.00 N ATOM 0 H GLN A 52 44.468 -1.081 -3.562 1.00 0.00 H new ATOM 0 HA GLN A 52 42.491 -0.896 -1.272 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.049 -3.061 -2.742 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.701 -3.303 -1.042 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.265 -2.959 -1.470 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.592 -2.651 -3.164 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.981 -5.193 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.911 -6.548 -1.745 1.00 0.00 H new ATOM 845 N GLU A 53 44.219 -0.354 0.384 1.00 0.00 N ATOM 846 CA GLU A 53 45.271 0.033 1.374 1.00 0.00 C ATOM 847 C GLU A 53 45.481 -1.098 2.383 1.00 0.00 C ATOM 848 O GLU A 53 44.571 -1.849 2.678 1.00 0.00 O ATOM 849 CB GLU A 53 44.716 1.271 2.078 1.00 0.00 C ATOM 850 CG GLU A 53 45.853 2.009 2.790 1.00 0.00 C ATOM 851 CD GLU A 53 45.925 1.553 4.248 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.966 1.781 4.967 1.00 0.00 O ATOM 853 OE2 GLU A 53 46.937 0.985 4.622 1.00 0.00 O ATOM 0 H GLU A 53 43.261 -0.155 0.673 1.00 0.00 H new ATOM 0 HA GLU A 53 46.233 0.228 0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 53 44.238 1.930 1.353 1.00 0.00 H new ATOM 0 HB3 GLU A 53 43.951 0.980 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 53 46.800 1.810 2.289 1.00 0.00 H new ATOM 0 HG3 GLU A 53 45.688 3.085 2.743 1.00 0.00 H new ATOM 860 N GLY A 54 46.672 -1.221 2.918 1.00 0.00 N ATOM 861 CA GLY A 54 46.928 -2.304 3.916 1.00 0.00 C ATOM 862 C GLY A 54 48.199 -1.983 4.695 1.00 0.00 C ATOM 863 O GLY A 54 48.270 -0.986 5.386 1.00 0.00 O ATOM 0 H GLY A 54 47.471 -0.623 2.708 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.083 -2.393 4.598 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.031 -3.264 3.410 1.00 0.00 H new ATOM 867 N TYR A 55 49.207 -2.816 4.590 1.00 0.00 N ATOM 868 CA TYR A 55 50.471 -2.541 5.325 1.00 0.00 C ATOM 869 C TYR A 55 51.686 -2.706 4.408 1.00 0.00 C ATOM 870 O TYR A 55 51.786 -3.652 3.650 1.00 0.00 O ATOM 871 CB TYR A 55 50.517 -3.549 6.473 1.00 0.00 C ATOM 872 CG TYR A 55 49.687 -3.036 7.627 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.289 -3.068 7.553 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.317 -2.529 8.769 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.522 -2.592 8.623 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.549 -2.054 9.839 1.00 0.00 C ATOM 877 CZ TYR A 55 48.152 -2.085 9.765 1.00 0.00 C ATOM 878 OH TYR A 55 47.395 -1.616 10.820 1.00 0.00 O ATOM 0 H TYR A 55 49.205 -3.668 4.029 1.00 0.00 H new ATOM 0 HA TYR A 55 50.499 -1.515 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.137 -4.515 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.547 -3.705 6.793 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.803 -3.459 6.671 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.395 -2.504 8.825 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.444 -2.616 8.567 1.00 0.00 H new ATOM 0 HE2 TYR A 55 50.035 -1.664 10.721 1.00 0.00 H new ATOM 0 HH TYR A 55 47.988 -1.301 11.534 1.00 0.00 H new ATOM 888 N ILE A 56 52.601 -1.775 4.471 1.00 0.00 N ATOM 889 CA ILE A 56 53.818 -1.831 3.609 1.00 0.00 C ATOM 890 C ILE A 56 55.071 -1.533 4.473 1.00 0.00 C ATOM 891 O ILE A 56 55.348 -0.380 4.740 1.00 0.00 O ATOM 892 CB ILE A 56 53.583 -0.721 2.561 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.576 -1.213 1.526 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.881 -0.356 1.838 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.154 -1.001 2.041 1.00 0.00 C ATOM 0 H ILE A 56 52.556 -0.967 5.092 1.00 0.00 H new ATOM 0 HA ILE A 56 53.982 -2.802 3.142 1.00 0.00 H new ATOM 0 HB ILE A 56 53.209 0.161 3.080 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.715 -0.677 0.587 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.743 -2.270 1.318 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.682 0.428 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.613 0.001 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.274 -1.236 1.329 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.441 -1.355 1.296 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.016 -1.557 2.968 1.00 0.00 H new ATOM 0 HD13 ILE A 56 50.989 0.060 2.226 1.00 0.00 H new ATOM 907 N PRO A 57 55.801 -2.560 4.885 1.00 0.00 N ATOM 908 CA PRO A 57 57.016 -2.327 5.709 1.00 0.00 C ATOM 909 C PRO A 57 58.006 -1.418 4.967 1.00 0.00 C ATOM 910 O PRO A 57 58.176 -1.519 3.766 1.00 0.00 O ATOM 911 CB PRO A 57 57.579 -3.739 5.895 1.00 0.00 C ATOM 912 CG PRO A 57 56.657 -4.740 5.175 1.00 0.00 C ATOM 913 CD PRO A 57 55.475 -3.976 4.567 1.00 0.00 C ATOM 0 HA PRO A 57 56.815 -1.824 6.655 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.589 -3.799 5.491 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.645 -3.982 6.955 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.207 -5.266 4.395 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.298 -5.494 5.876 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.396 -4.142 3.493 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.526 -4.282 5.007 1.00 0.00 H new ATOM 921 N SER A 58 58.645 -0.522 5.676 1.00 0.00 N ATOM 922 CA SER A 58 59.616 0.419 5.026 1.00 0.00 C ATOM 923 C SER A 58 60.705 -0.344 4.262 1.00 0.00 C ATOM 924 O SER A 58 60.997 -0.042 3.121 1.00 0.00 O ATOM 925 CB SER A 58 60.245 1.205 6.179 1.00 0.00 C ATOM 926 OG SER A 58 59.264 2.047 6.767 1.00 0.00 O ATOM 0 H SER A 58 58.537 -0.399 6.683 1.00 0.00 H new ATOM 0 HA SER A 58 59.117 1.063 4.301 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.646 0.519 6.925 1.00 0.00 H new ATOM 0 HB3 SER A 58 61.081 1.802 5.813 1.00 0.00 H new ATOM 0 HG SER A 58 58.469 2.073 6.194 1.00 0.00 H new ATOM 932 N ASN A 59 61.314 -1.312 4.891 1.00 0.00 N ATOM 933 CA ASN A 59 62.402 -2.087 4.216 1.00 0.00 C ATOM 934 C ASN A 59 61.881 -2.770 2.948 1.00 0.00 C ATOM 935 O ASN A 59 62.562 -2.850 1.944 1.00 0.00 O ATOM 936 CB ASN A 59 62.852 -3.121 5.264 1.00 0.00 C ATOM 937 CG ASN A 59 61.790 -4.216 5.459 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.838 -5.244 4.814 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.834 -4.035 6.328 1.00 0.00 N ATOM 0 H ASN A 59 61.106 -1.603 5.846 1.00 0.00 H new ATOM 0 HA ASN A 59 63.225 -1.450 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.792 -3.575 4.950 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.041 -2.621 6.214 1.00 0.00 H new ATOM 0 HD21 ASN A 59 60.127 -4.757 6.466 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.794 -3.172 6.870 1.00 0.00 H new ATOM 946 N TYR A 60 60.686 -3.278 3.012 1.00 0.00 N ATOM 947 CA TYR A 60 60.098 -3.988 1.834 1.00 0.00 C ATOM 948 C TYR A 60 59.997 -3.063 0.616 1.00 0.00 C ATOM 949 O TYR A 60 60.273 -3.475 -0.495 1.00 0.00 O ATOM 950 CB TYR A 60 58.707 -4.445 2.288 1.00 0.00 C ATOM 951 CG TYR A 60 58.724 -5.935 2.546 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.276 -6.435 3.732 1.00 0.00 C ATOM 953 CD2 TYR A 60 58.190 -6.815 1.598 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.295 -7.815 3.969 1.00 0.00 C ATOM 955 CE2 TYR A 60 58.209 -8.194 1.834 1.00 0.00 C ATOM 956 CZ TYR A 60 58.762 -8.694 3.020 1.00 0.00 C ATOM 957 OH TYR A 60 58.779 -10.054 3.252 1.00 0.00 O ATOM 0 H TYR A 60 60.083 -3.234 3.833 1.00 0.00 H new ATOM 0 HA TYR A 60 60.722 -4.826 1.523 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.415 -3.912 3.193 1.00 0.00 H new ATOM 0 HB3 TYR A 60 57.967 -4.206 1.524 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.687 -5.756 4.464 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.763 -6.430 0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 60 59.721 -8.200 4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.797 -8.873 1.102 1.00 0.00 H new ATOM 0 HH TYR A 60 58.369 -10.520 2.494 1.00 0.00 H new ATOM 967 N VAL A 61 59.604 -1.825 0.801 1.00 0.00 N ATOM 968 CA VAL A 61 59.494 -0.903 -0.379 1.00 0.00 C ATOM 969 C VAL A 61 60.559 0.183 -0.337 1.00 0.00 C ATOM 970 O VAL A 61 61.064 0.544 0.710 1.00 0.00 O ATOM 971 CB VAL A 61 58.110 -0.250 -0.309 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.033 -1.315 -0.501 1.00 0.00 C ATOM 973 CG2 VAL A 61 57.919 0.434 1.049 1.00 0.00 C ATOM 0 H VAL A 61 59.358 -1.416 1.702 1.00 0.00 H new ATOM 0 HA VAL A 61 59.634 -1.467 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 61 58.029 0.498 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.048 -0.850 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.161 -1.791 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.120 -2.066 0.284 1.00 0.00 H new ATOM 0 HG21 VAL A 61 56.932 0.895 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.006 -0.306 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.683 1.200 1.181 1.00 0.00 H new ATOM 983 N THR A 62 60.865 0.729 -1.477 1.00 0.00 N ATOM 984 CA THR A 62 61.858 1.831 -1.550 1.00 0.00 C ATOM 985 C THR A 62 61.208 2.962 -2.333 1.00 0.00 C ATOM 986 O THR A 62 60.047 2.868 -2.688 1.00 0.00 O ATOM 987 CB THR A 62 63.070 1.257 -2.298 1.00 0.00 C ATOM 988 OG1 THR A 62 64.039 2.280 -2.473 1.00 0.00 O ATOM 989 CG2 THR A 62 62.646 0.716 -3.669 1.00 0.00 C ATOM 0 H THR A 62 60.463 0.454 -2.374 1.00 0.00 H new ATOM 0 HA THR A 62 62.171 2.211 -0.578 1.00 0.00 H new ATOM 0 HB THR A 62 63.493 0.440 -1.714 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.815 1.917 -2.949 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.517 0.313 -4.186 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.906 -0.073 -3.536 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.214 1.523 -4.261 1.00 0.00 H new ATOM 997 N GLU A 63 61.920 4.020 -2.625 1.00 0.00 N ATOM 998 CA GLU A 63 61.293 5.130 -3.409 1.00 0.00 C ATOM 999 C GLU A 63 60.748 4.570 -4.713 1.00 0.00 C ATOM 1000 O GLU A 63 61.170 3.527 -5.163 1.00 0.00 O ATOM 1001 CB GLU A 63 62.403 6.153 -3.656 1.00 0.00 C ATOM 1002 CG GLU A 63 62.517 7.085 -2.448 1.00 0.00 C ATOM 1003 CD GLU A 63 63.517 6.503 -1.447 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.694 6.794 -1.578 1.00 0.00 O ATOM 1005 OE2 GLU A 63 63.088 5.776 -0.566 1.00 0.00 O ATOM 0 H GLU A 63 62.894 4.164 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 63 60.460 5.598 -2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.351 5.643 -3.826 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.186 6.730 -4.555 1.00 0.00 H new ATOM 0 HG2 GLU A 63 62.841 8.075 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.542 7.206 -1.976 1.00 0.00 H new ATOM 1012 N ALA A 64 59.772 5.223 -5.282 1.00 0.00 N ATOM 1013 CA ALA A 64 59.130 4.695 -6.522 1.00 0.00 C ATOM 1014 C ALA A 64 60.165 4.244 -7.569 1.00 0.00 C ATOM 1015 O ALA A 64 59.896 3.390 -8.391 1.00 0.00 O ATOM 1016 CB ALA A 64 58.316 5.846 -7.076 1.00 0.00 C ATOM 0 H ALA A 64 59.389 6.104 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 64 58.526 3.817 -6.292 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.815 5.530 -7.991 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.571 6.152 -6.341 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.976 6.686 -7.295 1.00 0.00 H new