USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 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+ -136:sc= 0 (180deg=-0.0555) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -39:sc= 0.802 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -133:sc=-0.00577 (180deg=-0.135) USER MOD Single : A 21 ASN : amide:sc= -0.013 X(o=-0.013,f=-0.15) USER MOD Single : A 23 ASN : amide:sc= -0.293 X(o=-0.29,f=-0.043) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 52:sc= -1.81! USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= 0.816 (180deg=0.702) USER MOD Single : A 50 ASN : amide:sc= -0.97 K(o=-0.97,f=-4!) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 160:sc= -1.52 USER MOD Single : A 59 ASN : amide:sc= -2.56 K(o=-2.6,f=-1.6!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.263 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.758 7.405 -3.216 1.00 0.00 N ATOM 131 CA LYS A 10 54.775 5.985 -3.687 1.00 0.00 C ATOM 132 C LYS A 10 56.134 5.345 -3.373 1.00 0.00 C ATOM 133 O LYS A 10 57.048 6.010 -2.924 1.00 0.00 O ATOM 134 CB LYS A 10 54.531 6.051 -5.201 1.00 0.00 C ATOM 135 CG LYS A 10 55.554 6.976 -5.864 1.00 0.00 C ATOM 136 CD LYS A 10 55.022 8.411 -5.865 1.00 0.00 C ATOM 137 CE LYS A 10 55.518 9.139 -7.117 1.00 0.00 C ATOM 138 NZ LYS A 10 54.590 8.712 -8.201 1.00 0.00 N ATOM 0 HA LYS A 10 54.018 5.376 -3.193 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.601 5.052 -5.631 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.522 6.413 -5.398 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.502 6.929 -5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.748 6.648 -6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 10 53.932 8.406 -5.842 1.00 0.00 H new ATOM 0 HD3 LYS A 10 55.357 8.935 -4.970 1.00 0.00 H new ATOM 0 HE2 LYS A 10 55.495 10.220 -6.980 1.00 0.00 H new ATOM 0 HE3 LYS A 10 56.548 8.869 -7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 55.136 8.488 -9.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 54.064 7.869 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 53.921 9.481 -8.408 1.00 0.00 H new ATOM 152 N VAL A 11 56.270 4.061 -3.604 1.00 0.00 N ATOM 153 CA VAL A 11 57.565 3.361 -3.312 1.00 0.00 C ATOM 154 C VAL A 11 57.651 2.064 -4.114 1.00 0.00 C ATOM 155 O VAL A 11 56.668 1.588 -4.641 1.00 0.00 O ATOM 156 CB VAL A 11 57.569 3.034 -1.806 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.889 4.293 -1.003 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.211 2.470 -1.365 1.00 0.00 C ATOM 0 H VAL A 11 55.536 3.463 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 11 58.414 3.989 -3.584 1.00 0.00 H new ATOM 0 HB VAL A 11 58.333 2.279 -1.621 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.890 4.055 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.870 4.669 -1.292 1.00 0.00 H new ATOM 0 HG13 VAL A 11 57.135 5.054 -1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.239 2.247 -0.298 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.431 3.205 -1.562 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.998 1.557 -1.921 1.00 0.00 H new ATOM 168 N VAL A 12 58.818 1.485 -4.194 1.00 0.00 N ATOM 169 CA VAL A 12 58.981 0.212 -4.952 1.00 0.00 C ATOM 170 C VAL A 12 58.891 -0.967 -3.955 1.00 0.00 C ATOM 171 O VAL A 12 58.764 -0.767 -2.764 1.00 0.00 O ATOM 172 CB VAL A 12 60.385 0.359 -5.609 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.224 -0.927 -5.558 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.217 0.765 -7.070 1.00 0.00 C ATOM 0 H VAL A 12 59.671 1.842 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 12 58.221 0.019 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 12 60.917 1.118 -5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.189 -0.751 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.379 -1.219 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.700 -1.725 -6.085 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.198 0.869 -7.534 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.646 0.001 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.687 1.716 -7.125 1.00 0.00 H new ATOM 184 N ALA A 13 58.977 -2.181 -4.436 1.00 0.00 N ATOM 185 CA ALA A 13 58.921 -3.366 -3.527 1.00 0.00 C ATOM 186 C ALA A 13 60.225 -4.164 -3.640 1.00 0.00 C ATOM 187 O ALA A 13 60.760 -4.338 -4.719 1.00 0.00 O ATOM 188 CB ALA A 13 57.742 -4.199 -4.026 1.00 0.00 C ATOM 0 H ALA A 13 59.084 -2.404 -5.426 1.00 0.00 H new ATOM 0 HA ALA A 13 58.801 -3.083 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.637 -5.089 -3.406 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.828 -3.607 -3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.918 -4.496 -5.060 1.00 0.00 H new ATOM 194 N LEU A 14 60.740 -4.645 -2.537 1.00 0.00 N ATOM 195 CA LEU A 14 62.014 -5.427 -2.581 1.00 0.00 C ATOM 196 C LEU A 14 61.727 -6.929 -2.511 1.00 0.00 C ATOM 197 O LEU A 14 62.423 -7.728 -3.111 1.00 0.00 O ATOM 198 CB LEU A 14 62.805 -4.976 -1.352 1.00 0.00 C ATOM 199 CG LEU A 14 63.099 -3.478 -1.454 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.756 -2.996 -0.157 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.047 -3.224 -2.629 1.00 0.00 C ATOM 0 H LEU A 14 60.334 -4.530 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 14 62.564 -5.255 -3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.238 -5.185 -0.445 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.737 -5.536 -1.281 1.00 0.00 H new ATOM 0 HG LEU A 14 62.167 -2.935 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.965 -1.929 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.083 -3.177 0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.688 -3.538 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.257 -2.157 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 64.978 -3.767 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.581 -3.567 -3.553 1.00 0.00 H new ATOM 213 N TYR A 15 60.711 -7.317 -1.784 1.00 0.00 N ATOM 214 CA TYR A 15 60.379 -8.771 -1.671 1.00 0.00 C ATOM 215 C TYR A 15 58.863 -8.971 -1.616 1.00 0.00 C ATOM 216 O TYR A 15 58.103 -8.024 -1.542 1.00 0.00 O ATOM 217 CB TYR A 15 61.025 -9.231 -0.363 1.00 0.00 C ATOM 218 CG TYR A 15 62.522 -9.046 -0.442 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.278 -9.830 -1.322 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.152 -8.090 0.364 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.665 -9.658 -1.395 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.540 -7.919 0.290 1.00 0.00 C ATOM 223 CZ TYR A 15 65.296 -8.703 -0.589 1.00 0.00 C ATOM 224 OH TYR A 15 66.664 -8.534 -0.662 1.00 0.00 O ATOM 0 H TYR A 15 60.097 -6.691 -1.264 1.00 0.00 H new ATOM 0 HA TYR A 15 60.743 -9.339 -2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.622 -8.660 0.473 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.788 -10.279 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.791 -10.567 -1.944 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.568 -7.485 1.042 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.249 -10.262 -2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.027 -7.182 0.911 1.00 0.00 H new ATOM 0 HH TYR A 15 66.941 -7.831 -0.038 1.00 0.00 H new ATOM 234 N ASP A 16 58.423 -10.202 -1.655 1.00 0.00 N ATOM 235 CA ASP A 16 56.956 -10.486 -1.609 1.00 0.00 C ATOM 236 C ASP A 16 56.418 -10.321 -0.185 1.00 0.00 C ATOM 237 O ASP A 16 57.155 -10.395 0.781 1.00 0.00 O ATOM 238 CB ASP A 16 56.814 -11.938 -2.069 1.00 0.00 C ATOM 239 CG ASP A 16 56.747 -11.987 -3.597 1.00 0.00 C ATOM 240 OD1 ASP A 16 57.798 -12.009 -4.215 1.00 0.00 O ATOM 241 OD2 ASP A 16 55.646 -12.002 -4.121 1.00 0.00 O ATOM 0 H ASP A 16 59.019 -11.027 -1.717 1.00 0.00 H new ATOM 0 HA ASP A 16 56.390 -9.800 -2.239 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.659 -12.527 -1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.914 -12.380 -1.641 1.00 0.00 H new ATOM 246 N TYR A 17 55.136 -10.095 -0.054 1.00 0.00 N ATOM 247 CA TYR A 17 54.523 -9.919 1.296 1.00 0.00 C ATOM 248 C TYR A 17 52.995 -9.984 1.157 1.00 0.00 C ATOM 249 O TYR A 17 52.294 -9.016 1.380 1.00 0.00 O ATOM 250 CB TYR A 17 55.010 -8.535 1.760 1.00 0.00 C ATOM 251 CG TYR A 17 54.283 -8.089 3.014 1.00 0.00 C ATOM 252 CD1 TYR A 17 54.542 -8.713 4.239 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.357 -7.042 2.943 1.00 0.00 C ATOM 254 CE1 TYR A 17 53.873 -8.287 5.394 1.00 0.00 C ATOM 255 CE2 TYR A 17 52.687 -6.618 4.096 1.00 0.00 C ATOM 256 CZ TYR A 17 52.945 -7.239 5.322 1.00 0.00 C ATOM 257 OH TYR A 17 52.287 -6.819 6.461 1.00 0.00 O ATOM 0 H TYR A 17 54.482 -10.024 -0.833 1.00 0.00 H new ATOM 0 HA TYR A 17 54.802 -10.688 2.017 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.083 -8.569 1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 17 54.851 -7.806 0.966 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.256 -9.521 4.294 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.159 -6.560 1.997 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.073 -8.767 6.341 1.00 0.00 H new ATOM 0 HE2 TYR A 17 51.971 -5.812 4.039 1.00 0.00 H new ATOM 0 HH TYR A 17 52.057 -7.597 7.012 1.00 0.00 H new ATOM 267 N MET A 18 52.485 -11.128 0.775 1.00 0.00 N ATOM 268 CA MET A 18 51.008 -11.282 0.602 1.00 0.00 C ATOM 269 C MET A 18 50.274 -11.000 1.923 1.00 0.00 C ATOM 270 O MET A 18 50.879 -11.048 2.977 1.00 0.00 O ATOM 271 CB MET A 18 50.798 -12.736 0.174 1.00 0.00 C ATOM 272 CG MET A 18 51.038 -12.865 -1.331 1.00 0.00 C ATOM 273 SD MET A 18 50.491 -14.498 -1.890 1.00 0.00 S ATOM 274 CE MET A 18 51.657 -14.670 -3.263 1.00 0.00 C ATOM 0 H MET A 18 53.031 -11.966 0.575 1.00 0.00 H new ATOM 0 HA MET A 18 50.613 -10.580 -0.133 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.480 -13.389 0.719 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.786 -13.056 0.420 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.495 -12.085 -1.865 1.00 0.00 H new ATOM 0 HG3 MET A 18 52.096 -12.727 -1.555 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.495 -15.626 -3.760 1.00 0.00 H new ATOM 0 HE2 MET A 18 51.502 -13.860 -3.975 1.00 0.00 H new ATOM 0 HE3 MET A 18 52.677 -14.628 -2.881 1.00 0.00 H new ATOM 284 N PRO A 19 48.986 -10.707 1.839 1.00 0.00 N ATOM 285 CA PRO A 19 48.198 -10.415 3.060 1.00 0.00 C ATOM 286 C PRO A 19 48.064 -11.667 3.932 1.00 0.00 C ATOM 287 O PRO A 19 48.224 -12.779 3.468 1.00 0.00 O ATOM 288 CB PRO A 19 46.839 -9.992 2.491 1.00 0.00 C ATOM 289 CG PRO A 19 46.901 -10.061 0.954 1.00 0.00 C ATOM 290 CD PRO A 19 48.253 -10.646 0.545 1.00 0.00 C ATOM 0 HA PRO A 19 48.651 -9.659 3.701 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.052 -10.646 2.867 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.593 -8.980 2.814 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.090 -10.680 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.774 -9.067 0.525 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.148 -11.632 0.092 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.765 -10.015 -0.181 1.00 0.00 H new ATOM 298 N MET A 20 47.761 -11.485 5.191 1.00 0.00 N ATOM 299 CA MET A 20 47.601 -12.653 6.110 1.00 0.00 C ATOM 300 C MET A 20 46.144 -12.746 6.558 1.00 0.00 C ATOM 301 O MET A 20 45.561 -13.814 6.599 1.00 0.00 O ATOM 302 CB MET A 20 48.509 -12.357 7.308 1.00 0.00 C ATOM 303 CG MET A 20 49.951 -12.163 6.831 1.00 0.00 C ATOM 304 SD MET A 20 51.098 -12.743 8.106 1.00 0.00 S ATOM 305 CE MET A 20 50.962 -14.511 7.746 1.00 0.00 C ATOM 0 H MET A 20 47.617 -10.573 5.625 1.00 0.00 H new ATOM 0 HA MET A 20 47.864 -13.598 5.634 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.164 -11.462 7.825 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.460 -13.177 8.024 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.115 -12.712 5.904 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.134 -11.111 6.615 1.00 0.00 H new ATOM 0 HE1 MET A 20 50.819 -15.062 8.676 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.111 -14.684 7.087 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.874 -14.854 7.258 1.00 0.00 H new ATOM 315 N ASN A 21 45.558 -11.627 6.887 1.00 0.00 N ATOM 316 CA ASN A 21 44.133 -11.617 7.332 1.00 0.00 C ATOM 317 C ASN A 21 43.347 -10.567 6.546 1.00 0.00 C ATOM 318 O ASN A 21 42.344 -10.863 5.923 1.00 0.00 O ATOM 319 CB ASN A 21 44.184 -11.252 8.817 1.00 0.00 C ATOM 320 CG ASN A 21 43.141 -12.070 9.582 1.00 0.00 C ATOM 321 OD1 ASN A 21 43.123 -13.281 9.502 1.00 0.00 O ATOM 322 ND2 ASN A 21 42.264 -11.452 10.325 1.00 0.00 N ATOM 0 H ASN A 21 46.008 -10.712 6.867 1.00 0.00 H new ATOM 0 HA ASN A 21 43.639 -12.575 7.167 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.179 -11.448 9.216 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.993 -10.187 8.947 1.00 0.00 H new ATOM 0 HD21 ASN A 21 41.563 -11.987 10.839 1.00 0.00 H new ATOM 0 HD22 ASN A 21 42.279 -10.434 10.392 1.00 0.00 H new ATOM 329 N ALA A 22 43.801 -9.342 6.573 1.00 0.00 N ATOM 330 CA ALA A 22 43.096 -8.251 5.830 1.00 0.00 C ATOM 331 C ALA A 22 43.942 -6.978 5.834 1.00 0.00 C ATOM 332 O ALA A 22 44.037 -6.278 4.844 1.00 0.00 O ATOM 333 CB ALA A 22 41.793 -8.019 6.596 1.00 0.00 C ATOM 0 H ALA A 22 44.635 -9.046 7.080 1.00 0.00 H new ATOM 0 HA ALA A 22 42.916 -8.517 4.788 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.220 -7.230 6.109 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.208 -8.939 6.606 1.00 0.00 H new ATOM 0 HB3 ALA A 22 42.021 -7.723 7.620 1.00 0.00 H new ATOM 339 N ASN A 23 44.548 -6.676 6.949 1.00 0.00 N ATOM 340 CA ASN A 23 45.390 -5.445 7.047 1.00 0.00 C ATOM 341 C ASN A 23 46.533 -5.474 6.047 1.00 0.00 C ATOM 342 O ASN A 23 46.685 -4.590 5.227 1.00 0.00 O ATOM 343 CB ASN A 23 45.979 -5.464 8.450 1.00 0.00 C ATOM 344 CG ASN A 23 45.067 -4.701 9.412 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.740 -5.194 10.474 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.637 -3.513 9.088 1.00 0.00 N ATOM 0 H ASN A 23 44.497 -7.231 7.803 1.00 0.00 H new ATOM 0 HA ASN A 23 44.792 -4.557 6.841 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.099 -6.493 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.971 -5.013 8.443 1.00 0.00 H new ATOM 0 HD21 ASN A 23 44.028 -3.000 9.725 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.910 -3.097 8.198 1.00 0.00 H new ATOM 353 N ASP A 24 47.366 -6.472 6.156 1.00 0.00 N ATOM 354 CA ASP A 24 48.559 -6.576 5.266 1.00 0.00 C ATOM 355 C ASP A 24 48.198 -6.338 3.790 1.00 0.00 C ATOM 356 O ASP A 24 47.240 -6.886 3.280 1.00 0.00 O ATOM 357 CB ASP A 24 49.084 -7.998 5.467 1.00 0.00 C ATOM 358 CG ASP A 24 49.674 -8.130 6.871 1.00 0.00 C ATOM 359 OD1 ASP A 24 49.087 -7.589 7.793 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.705 -8.772 7.002 1.00 0.00 O ATOM 0 H ASP A 24 47.270 -7.230 6.832 1.00 0.00 H new ATOM 0 HA ASP A 24 49.301 -5.818 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.277 -8.718 5.331 1.00 0.00 H new ATOM 0 HB3 ASP A 24 49.843 -8.226 4.719 1.00 0.00 H new ATOM 365 N LEU A 25 48.965 -5.522 3.112 1.00 0.00 N ATOM 366 CA LEU A 25 48.683 -5.238 1.674 1.00 0.00 C ATOM 367 C LEU A 25 49.364 -6.294 0.793 1.00 0.00 C ATOM 368 O LEU A 25 50.336 -6.909 1.192 1.00 0.00 O ATOM 369 CB LEU A 25 49.275 -3.847 1.424 1.00 0.00 C ATOM 370 CG LEU A 25 48.939 -3.393 -0.003 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.441 -3.095 -0.111 1.00 0.00 C ATOM 372 CD2 LEU A 25 49.725 -2.124 -0.342 1.00 0.00 C ATOM 0 H LEU A 25 49.777 -5.039 3.495 1.00 0.00 H new ATOM 0 HA LEU A 25 47.619 -5.269 1.438 1.00 0.00 H new ATOM 0 HB2 LEU A 25 48.875 -3.135 2.146 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.356 -3.870 1.564 1.00 0.00 H new ATOM 0 HG LEU A 25 49.207 -4.188 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.206 -2.773 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.873 -3.995 0.125 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.176 -2.305 0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.483 -1.806 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 25 49.459 -1.333 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 25 50.793 -2.328 -0.271 1.00 0.00 H new ATOM 384 N GLN A 26 48.854 -6.518 -0.393 1.00 0.00 N ATOM 385 CA GLN A 26 49.460 -7.547 -1.296 1.00 0.00 C ATOM 386 C GLN A 26 50.633 -6.962 -2.085 1.00 0.00 C ATOM 387 O GLN A 26 50.476 -6.487 -3.193 1.00 0.00 O ATOM 388 CB GLN A 26 48.330 -7.956 -2.242 1.00 0.00 C ATOM 389 CG GLN A 26 48.717 -9.243 -2.974 1.00 0.00 C ATOM 390 CD GLN A 26 47.452 -9.952 -3.463 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.536 -9.319 -3.947 1.00 0.00 O ATOM 392 NE2 GLN A 26 47.364 -11.249 -3.357 1.00 0.00 N ATOM 0 H GLN A 26 48.043 -6.032 -0.776 1.00 0.00 H new ATOM 0 HA GLN A 26 49.858 -8.393 -0.736 1.00 0.00 H new ATOM 0 HB2 GLN A 26 47.408 -8.108 -1.680 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.138 -7.160 -2.961 1.00 0.00 H new ATOM 0 HG2 GLN A 26 49.367 -9.012 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 26 49.279 -9.898 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 26 48.134 -11.781 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.526 -11.731 -3.681 1.00 0.00 H new ATOM 401 N LEU A 27 51.808 -7.002 -1.515 1.00 0.00 N ATOM 402 CA LEU A 27 53.009 -6.460 -2.210 1.00 0.00 C ATOM 403 C LEU A 27 53.659 -7.542 -3.081 1.00 0.00 C ATOM 404 O LEU A 27 53.077 -8.578 -3.345 1.00 0.00 O ATOM 405 CB LEU A 27 53.939 -6.038 -1.074 1.00 0.00 C ATOM 406 CG LEU A 27 53.576 -4.624 -0.635 1.00 0.00 C ATOM 407 CD1 LEU A 27 52.547 -4.684 0.491 1.00 0.00 C ATOM 408 CD2 LEU A 27 54.834 -3.898 -0.147 1.00 0.00 C ATOM 0 H LEU A 27 51.987 -7.391 -0.589 1.00 0.00 H new ATOM 0 HA LEU A 27 52.773 -5.633 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.846 -6.728 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 27 54.977 -6.075 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 27 53.152 -4.082 -1.480 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.289 -3.672 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 27 51.651 -5.194 0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 52.965 -5.229 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 27 54.572 -2.887 0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.263 -4.440 0.696 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.563 -3.850 -0.956 1.00 0.00 H new ATOM 420 N ARG A 28 54.863 -7.301 -3.533 1.00 0.00 N ATOM 421 CA ARG A 28 55.574 -8.289 -4.396 1.00 0.00 C ATOM 422 C ARG A 28 57.033 -7.858 -4.565 1.00 0.00 C ATOM 423 O ARG A 28 57.551 -7.087 -3.779 1.00 0.00 O ATOM 424 CB ARG A 28 54.840 -8.250 -5.740 1.00 0.00 C ATOM 425 CG ARG A 28 54.673 -9.673 -6.276 1.00 0.00 C ATOM 426 CD ARG A 28 53.752 -9.652 -7.498 1.00 0.00 C ATOM 427 NE ARG A 28 53.072 -10.978 -7.489 1.00 0.00 N ATOM 428 CZ ARG A 28 51.919 -11.124 -8.083 1.00 0.00 C ATOM 429 NH1 ARG A 28 50.930 -10.325 -7.792 1.00 0.00 N ATOM 430 NH2 ARG A 28 51.756 -12.071 -8.967 1.00 0.00 N ATOM 0 H ARG A 28 55.390 -6.450 -3.337 1.00 0.00 H new ATOM 0 HA ARG A 28 55.577 -9.293 -3.972 1.00 0.00 H new ATOM 0 HB2 ARG A 28 53.864 -7.779 -5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.399 -7.645 -6.454 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.644 -10.088 -6.546 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.255 -10.318 -5.503 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.030 -8.838 -7.435 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.319 -9.505 -8.417 1.00 0.00 H new ATOM 0 HE ARG A 28 53.508 -11.771 -7.019 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.058 -9.586 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.029 -10.439 -8.256 1.00 0.00 H new ATOM 0 HH21 ARG A 28 52.530 -12.696 -9.193 1.00 0.00 H new ATOM 0 HH22 ARG A 28 50.855 -12.186 -9.431 1.00 0.00 H new ATOM 444 N LYS A 29 57.696 -8.346 -5.581 1.00 0.00 N ATOM 445 CA LYS A 29 59.118 -7.962 -5.800 1.00 0.00 C ATOM 446 C LYS A 29 59.273 -7.208 -7.122 1.00 0.00 C ATOM 447 O LYS A 29 58.961 -7.715 -8.182 1.00 0.00 O ATOM 448 CB LYS A 29 59.891 -9.282 -5.820 1.00 0.00 C ATOM 449 CG LYS A 29 61.385 -9.002 -5.997 1.00 0.00 C ATOM 450 CD LYS A 29 62.121 -10.312 -6.281 1.00 0.00 C ATOM 451 CE LYS A 29 63.558 -10.214 -5.764 1.00 0.00 C ATOM 452 NZ LYS A 29 63.906 -11.596 -5.331 1.00 0.00 N ATOM 0 H LYS A 29 57.312 -8.995 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 29 59.489 -7.294 -5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.721 -9.828 -4.892 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.531 -9.913 -6.632 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.539 -8.301 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 29 61.787 -8.535 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.606 -11.143 -5.799 1.00 0.00 H new ATOM 0 HD3 LYS A 29 62.122 -10.516 -7.352 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.235 -9.862 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 29 63.632 -9.510 -4.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.879 -11.610 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.249 -11.902 -4.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.833 -12.243 -6.142 1.00 0.00 H new ATOM 466 N GLY A 30 59.747 -5.988 -7.054 1.00 0.00 N ATOM 467 CA GLY A 30 59.921 -5.172 -8.290 1.00 0.00 C ATOM 468 C GLY A 30 58.695 -4.279 -8.490 1.00 0.00 C ATOM 469 O GLY A 30 58.773 -3.245 -9.129 1.00 0.00 O ATOM 0 H GLY A 30 60.022 -5.522 -6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.820 -4.561 -8.211 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.054 -5.824 -9.153 1.00 0.00 H new ATOM 473 N ASP A 31 57.565 -4.663 -7.946 1.00 0.00 N ATOM 474 CA ASP A 31 56.337 -3.832 -8.100 1.00 0.00 C ATOM 475 C ASP A 31 56.427 -2.615 -7.178 1.00 0.00 C ATOM 476 O ASP A 31 57.193 -2.607 -6.238 1.00 0.00 O ATOM 477 CB ASP A 31 55.177 -4.738 -7.685 1.00 0.00 C ATOM 478 CG ASP A 31 53.858 -4.137 -8.174 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.632 -4.152 -9.373 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.096 -3.674 -7.342 1.00 0.00 O ATOM 0 H ASP A 31 57.444 -5.517 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 31 56.208 -3.463 -9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.312 -5.735 -8.105 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.158 -4.849 -6.601 1.00 0.00 H new ATOM 485 N GLU A 32 55.656 -1.592 -7.437 1.00 0.00 N ATOM 486 CA GLU A 32 55.706 -0.376 -6.563 1.00 0.00 C ATOM 487 C GLU A 32 54.302 -0.089 -6.024 1.00 0.00 C ATOM 488 O GLU A 32 53.347 -0.735 -6.414 1.00 0.00 O ATOM 489 CB GLU A 32 56.207 0.774 -7.452 1.00 0.00 C ATOM 490 CG GLU A 32 57.436 0.345 -8.262 1.00 0.00 C ATOM 491 CD GLU A 32 56.985 -0.290 -9.580 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.580 0.449 -10.462 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.053 -1.503 -9.683 1.00 0.00 O ATOM 0 H GLU A 32 54.995 -1.543 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 32 56.367 -0.507 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.412 1.088 -8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.457 1.635 -6.832 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.072 1.207 -8.461 1.00 0.00 H new ATOM 0 HG3 GLU A 32 58.032 -0.366 -7.689 1.00 0.00 H new ATOM 500 N TYR A 33 54.169 0.837 -5.103 1.00 0.00 N ATOM 501 CA TYR A 33 52.822 1.108 -4.519 1.00 0.00 C ATOM 502 C TYR A 33 52.574 2.603 -4.344 1.00 0.00 C ATOM 503 O TYR A 33 53.328 3.438 -4.802 1.00 0.00 O ATOM 504 CB TYR A 33 52.848 0.449 -3.138 1.00 0.00 C ATOM 505 CG TYR A 33 53.435 -0.938 -3.220 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.746 -1.949 -3.894 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.681 -1.198 -2.644 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.303 -3.225 -3.989 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.242 -2.471 -2.743 1.00 0.00 C ATOM 510 CZ TYR A 33 54.552 -3.486 -3.416 1.00 0.00 C ATOM 511 OH TYR A 33 55.107 -4.741 -3.524 1.00 0.00 O ATOM 0 H TYR A 33 54.928 1.410 -4.735 1.00 0.00 H new ATOM 0 HA TYR A 33 52.035 0.726 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.435 1.058 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.837 0.398 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.784 -1.744 -4.341 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.209 -0.414 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.770 -4.010 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.207 -2.673 -2.301 1.00 0.00 H new ATOM 0 HH TYR A 33 55.110 -5.018 -4.464 1.00 0.00 H new ATOM 521 N PHE A 34 51.516 2.927 -3.650 1.00 0.00 N ATOM 522 CA PHE A 34 51.178 4.355 -3.387 1.00 0.00 C ATOM 523 C PHE A 34 51.171 4.602 -1.880 1.00 0.00 C ATOM 524 O PHE A 34 50.503 3.911 -1.137 1.00 0.00 O ATOM 525 CB PHE A 34 49.780 4.552 -3.966 1.00 0.00 C ATOM 526 CG PHE A 34 49.884 4.983 -5.409 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.168 6.319 -5.722 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.697 4.049 -6.433 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.265 6.718 -7.060 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.794 4.448 -7.772 1.00 0.00 C ATOM 531 CZ PHE A 34 50.078 5.783 -8.086 1.00 0.00 C ATOM 0 H PHE A 34 50.863 2.253 -3.249 1.00 0.00 H new ATOM 0 HA PHE A 34 51.895 5.044 -3.832 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.212 3.625 -3.893 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.240 5.303 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.312 7.040 -4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.478 3.020 -6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 34 50.484 7.748 -7.302 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.650 3.726 -8.562 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.153 6.091 -9.118 1.00 0.00 H new ATOM 541 N ILE A 35 51.923 5.568 -1.425 1.00 0.00 N ATOM 542 CA ILE A 35 51.984 5.844 0.042 1.00 0.00 C ATOM 543 C ILE A 35 50.931 6.864 0.466 1.00 0.00 C ATOM 544 O ILE A 35 50.608 7.787 -0.259 1.00 0.00 O ATOM 545 CB ILE A 35 53.399 6.384 0.288 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.444 5.352 -0.161 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.590 6.682 1.779 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.219 4.021 0.564 1.00 0.00 C ATOM 0 H ILE A 35 52.498 6.179 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 35 51.779 4.947 0.626 1.00 0.00 H new ATOM 0 HB ILE A 35 53.528 7.301 -0.287 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.379 5.203 -1.239 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.447 5.724 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.596 7.065 1.947 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.860 7.426 2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.449 5.767 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.966 3.298 0.237 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.308 4.173 1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.223 3.644 0.332 1.00 0.00 H new ATOM 560 N LEU A 36 50.404 6.696 1.649 1.00 0.00 N ATOM 561 CA LEU A 36 49.375 7.641 2.164 1.00 0.00 C ATOM 562 C LEU A 36 49.885 8.341 3.424 1.00 0.00 C ATOM 563 O LEU A 36 49.528 9.473 3.695 1.00 0.00 O ATOM 564 CB LEU A 36 48.159 6.771 2.489 1.00 0.00 C ATOM 565 CG LEU A 36 47.663 6.084 1.215 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.622 5.023 1.578 1.00 0.00 C ATOM 567 CD2 LEU A 36 47.028 7.124 0.289 1.00 0.00 C ATOM 0 H LEU A 36 50.646 5.937 2.286 1.00 0.00 H new ATOM 0 HA LEU A 36 49.134 8.421 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.423 6.024 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.365 7.383 2.916 1.00 0.00 H new ATOM 0 HG LEU A 36 48.503 5.610 0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 36 46.269 4.534 0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 36 47.073 4.282 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 36 45.781 5.497 2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 36 46.674 6.635 -0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 46.188 7.598 0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 36 47.769 7.880 0.029 1.00 0.00 H new ATOM 579 N GLU A 37 50.714 7.681 4.204 1.00 0.00 N ATOM 580 CA GLU A 37 51.236 8.326 5.453 1.00 0.00 C ATOM 581 C GLU A 37 52.364 7.499 6.081 1.00 0.00 C ATOM 582 O GLU A 37 52.673 6.409 5.639 1.00 0.00 O ATOM 583 CB GLU A 37 50.033 8.385 6.404 1.00 0.00 C ATOM 584 CG GLU A 37 49.487 6.974 6.650 1.00 0.00 C ATOM 585 CD GLU A 37 48.208 7.059 7.485 1.00 0.00 C ATOM 586 OE1 GLU A 37 47.280 7.717 7.046 1.00 0.00 O ATOM 587 OE2 GLU A 37 48.179 6.466 8.551 1.00 0.00 O ATOM 0 H GLU A 37 51.048 6.733 4.031 1.00 0.00 H new ATOM 0 HA GLU A 37 51.655 9.311 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 37 50.329 8.839 7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 37 49.253 9.016 5.978 1.00 0.00 H new ATOM 0 HG2 GLU A 37 49.281 6.482 5.700 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.232 6.370 7.167 1.00 0.00 H new ATOM 653 N PRO A 42 58.549 1.863 10.237 1.00 0.00 N ATOM 654 CA PRO A 42 58.917 0.530 9.670 1.00 0.00 C ATOM 655 C PRO A 42 57.744 -0.076 8.881 1.00 0.00 C ATOM 656 O PRO A 42 57.933 -0.857 7.971 1.00 0.00 O ATOM 657 CB PRO A 42 59.244 -0.292 10.920 1.00 0.00 C ATOM 658 CG PRO A 42 59.065 0.604 12.159 1.00 0.00 C ATOM 659 CD PRO A 42 58.814 2.040 11.693 1.00 0.00 C ATOM 0 HA PRO A 42 59.744 0.570 8.961 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.588 -1.161 10.984 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.266 -0.667 10.869 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.229 0.251 12.763 1.00 0.00 H new ATOM 0 HG3 PRO A 42 59.954 0.561 12.788 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.966 2.492 12.208 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.676 2.682 11.874 1.00 0.00 H new ATOM 667 N TRP A 43 56.539 0.303 9.220 1.00 0.00 N ATOM 668 CA TRP A 43 55.336 -0.202 8.503 1.00 0.00 C ATOM 669 C TRP A 43 54.506 1.004 8.046 1.00 0.00 C ATOM 670 O TRP A 43 54.575 2.059 8.647 1.00 0.00 O ATOM 671 CB TRP A 43 54.584 -1.013 9.551 1.00 0.00 C ATOM 672 CG TRP A 43 55.356 -2.240 9.895 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.212 -2.321 10.924 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.361 -3.549 9.250 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.750 -3.594 10.968 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.256 -4.389 9.955 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.686 -4.087 8.138 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.472 -5.714 9.573 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.902 -5.420 7.752 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.793 -6.231 8.469 1.00 0.00 C ATOM 0 H TRP A 43 56.337 0.954 9.979 1.00 0.00 H new ATOM 0 HA TRP A 43 55.565 -0.802 7.622 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.426 -0.410 10.445 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.599 -1.287 9.173 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.444 -1.519 11.609 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.428 -3.906 11.663 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.998 -3.471 7.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.160 -6.335 10.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.378 -5.823 6.898 1.00 0.00 H new ATOM 0 HH2 TRP A 43 55.954 -7.255 8.167 1.00 0.00 H new ATOM 691 N TRP A 44 53.745 0.876 6.984 1.00 0.00 N ATOM 692 CA TRP A 44 52.948 2.046 6.498 1.00 0.00 C ATOM 693 C TRP A 44 51.511 1.662 6.161 1.00 0.00 C ATOM 694 O TRP A 44 51.073 0.552 6.378 1.00 0.00 O ATOM 695 CB TRP A 44 53.645 2.464 5.202 1.00 0.00 C ATOM 696 CG TRP A 44 54.719 3.485 5.426 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.009 4.128 6.584 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.643 3.993 4.435 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.068 4.994 6.356 1.00 0.00 N ATOM 700 CE2 TRP A 44 56.491 4.944 5.041 1.00 0.00 C ATOM 701 CE3 TRP A 44 55.819 3.709 3.075 1.00 0.00 C ATOM 702 CZ2 TRP A 44 57.488 5.597 4.312 1.00 0.00 C ATOM 703 CZ3 TRP A 44 56.812 4.358 2.336 1.00 0.00 C ATOM 704 CH2 TRP A 44 57.649 5.304 2.952 1.00 0.00 C ATOM 0 H TRP A 44 53.642 0.021 6.438 1.00 0.00 H new ATOM 0 HA TRP A 44 52.901 2.825 7.259 1.00 0.00 H new ATOM 0 HB2 TRP A 44 54.079 1.584 4.728 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.905 2.867 4.510 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.500 3.989 7.526 1.00 0.00 H new ATOM 0 HE1 TRP A 44 56.483 5.593 7.070 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.182 2.982 2.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 58.129 6.321 4.793 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 56.937 4.132 1.287 1.00 0.00 H new ATOM 0 HH2 TRP A 44 58.415 5.804 2.378 1.00 0.00 H new ATOM 715 N ARG A 45 50.800 2.592 5.577 1.00 0.00 N ATOM 716 CA ARG A 45 49.403 2.335 5.142 1.00 0.00 C ATOM 717 C ARG A 45 49.301 2.798 3.687 1.00 0.00 C ATOM 718 O ARG A 45 48.697 3.807 3.382 1.00 0.00 O ATOM 719 CB ARG A 45 48.522 3.187 6.057 1.00 0.00 C ATOM 720 CG ARG A 45 47.127 2.567 6.145 1.00 0.00 C ATOM 721 CD ARG A 45 46.274 3.363 7.135 1.00 0.00 C ATOM 722 NE ARG A 45 45.523 4.338 6.298 1.00 0.00 N ATOM 723 CZ ARG A 45 44.222 4.266 6.220 1.00 0.00 C ATOM 724 NH1 ARG A 45 43.510 4.119 7.304 1.00 0.00 N ATOM 725 NH2 ARG A 45 43.632 4.342 5.058 1.00 0.00 N ATOM 0 H ARG A 45 51.139 3.534 5.382 1.00 0.00 H new ATOM 0 HA ARG A 45 49.102 1.289 5.202 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.966 3.251 7.050 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.456 4.204 5.671 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.656 2.566 5.162 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.199 1.528 6.465 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.596 2.711 7.686 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.896 3.872 7.872 1.00 0.00 H new ATOM 0 HE ARG A 45 46.025 5.063 5.785 1.00 0.00 H new ATOM 0 HH11 ARG A 45 43.970 4.060 8.212 1.00 0.00 H new ATOM 0 HH12 ARG A 45 42.493 4.063 7.243 1.00 0.00 H new ATOM 0 HH21 ARG A 45 44.188 4.458 4.210 1.00 0.00 H new ATOM 0 HH22 ARG A 45 42.615 4.286 4.998 1.00 0.00 H new ATOM 739 N ALA A 46 49.932 2.076 2.799 1.00 0.00 N ATOM 740 CA ALA A 46 49.938 2.463 1.359 1.00 0.00 C ATOM 741 C ALA A 46 49.008 1.553 0.562 1.00 0.00 C ATOM 742 O ALA A 46 48.499 0.575 1.075 1.00 0.00 O ATOM 743 CB ALA A 46 51.401 2.272 0.918 1.00 0.00 C ATOM 0 H ALA A 46 50.450 1.224 3.014 1.00 0.00 H new ATOM 0 HA ALA A 46 49.588 3.482 1.196 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.501 2.535 -0.135 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.048 2.915 1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.691 1.231 1.061 1.00 0.00 H new ATOM 749 N ARG A 47 48.785 1.867 -0.690 1.00 0.00 N ATOM 750 CA ARG A 47 47.891 1.014 -1.521 1.00 0.00 C ATOM 751 C ARG A 47 48.671 0.396 -2.672 1.00 0.00 C ATOM 752 O ARG A 47 49.715 0.884 -3.057 1.00 0.00 O ATOM 753 CB ARG A 47 46.818 1.945 -2.072 1.00 0.00 C ATOM 754 CG ARG A 47 45.902 2.399 -0.942 1.00 0.00 C ATOM 755 CD ARG A 47 45.353 3.792 -1.256 1.00 0.00 C ATOM 756 NE ARG A 47 44.085 3.547 -1.997 1.00 0.00 N ATOM 757 CZ ARG A 47 43.657 4.421 -2.867 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.006 5.478 -2.464 1.00 0.00 N ATOM 759 NH2 ARG A 47 43.882 4.239 -4.139 1.00 0.00 N ATOM 0 H ARG A 47 49.183 2.675 -1.168 1.00 0.00 H new ATOM 0 HA ARG A 47 47.463 0.200 -0.935 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.282 2.810 -2.547 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.238 1.433 -2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.081 1.692 -0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.451 2.417 -0.000 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.174 4.361 -0.344 1.00 0.00 H new ATOM 0 HD3 ARG A 47 46.057 4.368 -1.857 1.00 0.00 H new ATOM 0 HE ARG A 47 43.550 2.696 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 47 42.832 5.621 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 47 42.672 6.161 -3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 47 44.392 3.414 -4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 47 43.548 4.922 -4.819 1.00 0.00 H new ATOM 773 N ASP A 48 48.166 -0.671 -3.227 1.00 0.00 N ATOM 774 CA ASP A 48 48.873 -1.327 -4.361 1.00 0.00 C ATOM 775 C ASP A 48 48.230 -0.931 -5.696 1.00 0.00 C ATOM 776 O ASP A 48 47.528 0.058 -5.787 1.00 0.00 O ATOM 777 CB ASP A 48 48.729 -2.830 -4.100 1.00 0.00 C ATOM 778 CG ASP A 48 47.248 -3.224 -4.076 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.522 -2.677 -3.261 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.867 -4.065 -4.874 1.00 0.00 O ATOM 0 H ASP A 48 47.293 -1.117 -2.943 1.00 0.00 H new ATOM 0 HA ASP A 48 49.919 -1.028 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.250 -3.393 -4.875 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.197 -3.088 -3.150 1.00 0.00 H new ATOM 785 N LYS A 49 48.474 -1.696 -6.730 1.00 0.00 N ATOM 786 CA LYS A 49 47.886 -1.371 -8.070 1.00 0.00 C ATOM 787 C LYS A 49 46.366 -1.590 -8.069 1.00 0.00 C ATOM 788 O LYS A 49 45.667 -1.096 -8.933 1.00 0.00 O ATOM 789 CB LYS A 49 48.568 -2.331 -9.058 1.00 0.00 C ATOM 790 CG LYS A 49 49.472 -1.542 -10.008 1.00 0.00 C ATOM 791 CD LYS A 49 50.628 -0.926 -9.220 1.00 0.00 C ATOM 792 CE LYS A 49 51.720 -1.977 -9.009 1.00 0.00 C ATOM 793 NZ LYS A 49 52.452 -2.036 -10.305 1.00 0.00 N ATOM 0 H LYS A 49 49.056 -2.533 -6.706 1.00 0.00 H new ATOM 0 HA LYS A 49 48.049 -0.327 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.155 -3.071 -8.514 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.815 -2.877 -9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.859 -2.198 -10.788 1.00 0.00 H new ATOM 0 HG3 LYS A 49 48.899 -0.759 -10.505 1.00 0.00 H new ATOM 0 HD2 LYS A 49 51.033 -0.069 -9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 49 50.271 -0.559 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.385 -1.697 -8.192 1.00 0.00 H new ATOM 0 HE3 LYS A 49 51.291 -2.946 -8.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 53.249 -2.699 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.807 -2.361 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 52.811 -1.090 -10.544 1.00 0.00 H new ATOM 807 N ASN A 50 45.850 -2.330 -7.115 1.00 0.00 N ATOM 808 CA ASN A 50 44.381 -2.581 -7.071 1.00 0.00 C ATOM 809 C ASN A 50 43.650 -1.475 -6.295 1.00 0.00 C ATOM 810 O ASN A 50 42.492 -1.622 -5.948 1.00 0.00 O ATOM 811 CB ASN A 50 44.231 -3.923 -6.353 1.00 0.00 C ATOM 812 CG ASN A 50 44.915 -5.019 -7.173 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.059 -4.882 -7.558 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.258 -6.110 -7.456 1.00 0.00 N ATOM 0 H ASN A 50 46.386 -2.769 -6.367 1.00 0.00 H new ATOM 0 HA ASN A 50 43.946 -2.592 -8.070 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.675 -3.867 -5.359 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.176 -4.160 -6.218 1.00 0.00 H new ATOM 0 HD21 ASN A 50 44.705 -6.848 -8.000 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.297 -6.225 -7.133 1.00 0.00 H new ATOM 821 N GLY A 51 44.308 -0.372 -6.016 1.00 0.00 N ATOM 822 CA GLY A 51 43.643 0.733 -5.263 1.00 0.00 C ATOM 823 C GLY A 51 43.194 0.228 -3.887 1.00 0.00 C ATOM 824 O GLY A 51 42.253 0.738 -3.308 1.00 0.00 O ATOM 0 H GLY A 51 45.277 -0.193 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 51 44.330 1.571 -5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.784 1.101 -5.823 1.00 0.00 H new ATOM 828 N GLN A 52 43.861 -0.771 -3.363 1.00 0.00 N ATOM 829 CA GLN A 52 43.476 -1.313 -2.026 1.00 0.00 C ATOM 830 C GLN A 52 44.492 -0.879 -0.967 1.00 0.00 C ATOM 831 O GLN A 52 45.685 -1.064 -1.128 1.00 0.00 O ATOM 832 CB GLN A 52 43.493 -2.832 -2.195 1.00 0.00 C ATOM 833 CG GLN A 52 42.139 -3.302 -2.731 1.00 0.00 C ATOM 834 CD GLN A 52 42.203 -4.799 -3.038 1.00 0.00 C ATOM 835 OE1 GLN A 52 42.775 -5.562 -2.286 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.634 -5.255 -4.121 1.00 0.00 N ATOM 0 H GLN A 52 44.655 -1.234 -3.805 1.00 0.00 H new ATOM 0 HA GLN A 52 42.502 -0.950 -1.698 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.288 -3.123 -2.881 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.704 -3.312 -1.240 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.357 -3.103 -1.998 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.880 -2.746 -3.632 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.153 -4.615 -4.753 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.670 -6.252 -4.335 1.00 0.00 H new ATOM 845 N GLU A 53 44.023 -0.305 0.113 1.00 0.00 N ATOM 846 CA GLU A 53 44.946 0.150 1.198 1.00 0.00 C ATOM 847 C GLU A 53 45.341 -1.034 2.080 1.00 0.00 C ATOM 848 O GLU A 53 44.554 -1.936 2.304 1.00 0.00 O ATOM 849 CB GLU A 53 44.140 1.163 2.019 1.00 0.00 C ATOM 850 CG GLU A 53 43.692 2.326 1.130 1.00 0.00 C ATOM 851 CD GLU A 53 42.499 3.032 1.779 1.00 0.00 C ATOM 852 OE1 GLU A 53 41.656 2.343 2.329 1.00 0.00 O ATOM 853 OE2 GLU A 53 42.449 4.249 1.713 1.00 0.00 O ATOM 0 H GLU A 53 43.034 -0.131 0.291 1.00 0.00 H new ATOM 0 HA GLU A 53 45.862 0.583 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.270 0.676 2.459 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.746 1.538 2.844 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.513 3.029 0.991 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.417 1.958 0.142 1.00 0.00 H new ATOM 860 N GLY A 54 46.548 -1.039 2.592 1.00 0.00 N ATOM 861 CA GLY A 54 46.981 -2.165 3.470 1.00 0.00 C ATOM 862 C GLY A 54 48.292 -1.781 4.146 1.00 0.00 C ATOM 863 O GLY A 54 48.616 -0.613 4.243 1.00 0.00 O ATOM 0 H GLY A 54 47.248 -0.313 2.439 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.217 -2.376 4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.111 -3.074 2.883 1.00 0.00 H new ATOM 867 N TYR A 55 49.045 -2.739 4.625 1.00 0.00 N ATOM 868 CA TYR A 55 50.327 -2.391 5.303 1.00 0.00 C ATOM 869 C TYR A 55 51.532 -2.664 4.400 1.00 0.00 C ATOM 870 O TYR A 55 51.579 -3.635 3.671 1.00 0.00 O ATOM 871 CB TYR A 55 50.375 -3.258 6.561 1.00 0.00 C ATOM 872 CG TYR A 55 49.727 -2.520 7.708 1.00 0.00 C ATOM 873 CD1 TYR A 55 50.488 -1.662 8.509 1.00 0.00 C ATOM 874 CD2 TYR A 55 48.363 -2.696 7.970 1.00 0.00 C ATOM 875 CE1 TYR A 55 49.886 -0.978 9.572 1.00 0.00 C ATOM 876 CE2 TYR A 55 47.760 -2.013 9.033 1.00 0.00 C ATOM 877 CZ TYR A 55 48.522 -1.153 9.834 1.00 0.00 C ATOM 878 OH TYR A 55 47.929 -0.480 10.882 1.00 0.00 O ATOM 0 H TYR A 55 48.830 -3.735 4.576 1.00 0.00 H new ATOM 0 HA TYR A 55 50.371 -1.329 5.544 1.00 0.00 H new ATOM 0 HB2 TYR A 55 49.859 -4.202 6.385 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.408 -3.501 6.809 1.00 0.00 H new ATOM 0 HD1 TYR A 55 51.540 -1.527 8.307 1.00 0.00 H new ATOM 0 HD2 TYR A 55 47.776 -3.359 7.352 1.00 0.00 H new ATOM 0 HE1 TYR A 55 50.474 -0.315 10.190 1.00 0.00 H new ATOM 0 HE2 TYR A 55 46.708 -2.149 9.235 1.00 0.00 H new ATOM 0 HH TYR A 55 46.978 -0.713 10.924 1.00 0.00 H new ATOM 888 N ILE A 56 52.503 -1.788 4.447 1.00 0.00 N ATOM 889 CA ILE A 56 53.725 -1.941 3.602 1.00 0.00 C ATOM 890 C ILE A 56 54.982 -1.671 4.466 1.00 0.00 C ATOM 891 O ILE A 56 55.238 -0.531 4.797 1.00 0.00 O ATOM 892 CB ILE A 56 53.565 -0.856 2.519 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.504 -1.300 1.513 1.00 0.00 C ATOM 894 CG2 ILE A 56 54.878 -0.624 1.768 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.116 -0.930 2.028 1.00 0.00 C ATOM 0 H ILE A 56 52.500 -0.961 5.044 1.00 0.00 H new ATOM 0 HA ILE A 56 53.837 -2.937 3.174 1.00 0.00 H new ATOM 0 HB ILE A 56 53.271 0.071 3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.683 -0.825 0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.568 -2.377 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.733 0.147 1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.647 -0.302 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.191 -1.551 1.287 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.363 -1.249 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 56 50.938 -1.426 2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.054 0.150 2.164 1.00 0.00 H new ATOM 907 N PRO A 57 55.744 -2.703 4.804 1.00 0.00 N ATOM 908 CA PRO A 57 56.965 -2.481 5.618 1.00 0.00 C ATOM 909 C PRO A 57 57.929 -1.549 4.870 1.00 0.00 C ATOM 910 O PRO A 57 58.380 -1.856 3.783 1.00 0.00 O ATOM 911 CB PRO A 57 57.546 -3.893 5.756 1.00 0.00 C ATOM 912 CG PRO A 57 56.630 -4.881 5.011 1.00 0.00 C ATOM 913 CD PRO A 57 55.448 -4.108 4.413 1.00 0.00 C ATOM 0 HA PRO A 57 56.777 -2.008 6.582 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.554 -3.928 5.343 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.622 -4.169 6.808 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.186 -5.389 4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.270 -5.650 5.694 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.394 -4.224 3.331 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.495 -4.449 4.818 1.00 0.00 H new ATOM 921 N SER A 58 58.235 -0.408 5.439 1.00 0.00 N ATOM 922 CA SER A 58 59.159 0.566 4.763 1.00 0.00 C ATOM 923 C SER A 58 60.443 -0.124 4.286 1.00 0.00 C ATOM 924 O SER A 58 60.923 0.129 3.197 1.00 0.00 O ATOM 925 CB SER A 58 59.485 1.612 5.829 1.00 0.00 C ATOM 926 OG SER A 58 60.225 0.999 6.877 1.00 0.00 O ATOM 0 H SER A 58 57.884 -0.105 6.348 1.00 0.00 H new ATOM 0 HA SER A 58 58.698 1.004 3.878 1.00 0.00 H new ATOM 0 HB2 SER A 58 60.060 2.428 5.391 1.00 0.00 H new ATOM 0 HB3 SER A 58 58.566 2.046 6.223 1.00 0.00 H new ATOM 0 HG SER A 58 60.704 1.687 7.385 1.00 0.00 H new ATOM 932 N ASN A 59 60.996 -0.993 5.092 1.00 0.00 N ATOM 933 CA ASN A 59 62.246 -1.705 4.688 1.00 0.00 C ATOM 934 C ASN A 59 61.983 -2.548 3.437 1.00 0.00 C ATOM 935 O ASN A 59 62.799 -2.631 2.539 1.00 0.00 O ATOM 936 CB ASN A 59 62.613 -2.583 5.899 1.00 0.00 C ATOM 937 CG ASN A 59 61.634 -3.756 6.057 1.00 0.00 C ATOM 938 OD1 ASN A 59 61.859 -4.825 5.526 1.00 0.00 O ATOM 939 ND2 ASN A 59 60.553 -3.597 6.770 1.00 0.00 N ATOM 0 H ASN A 59 60.636 -1.241 6.014 1.00 0.00 H new ATOM 0 HA ASN A 59 63.059 -1.025 4.435 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.626 -2.966 5.779 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.607 -1.977 6.805 1.00 0.00 H new ATOM 0 HD21 ASN A 59 59.897 -4.370 6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.364 -2.699 7.216 1.00 0.00 H new ATOM 946 N TYR A 60 60.841 -3.171 3.392 1.00 0.00 N ATOM 947 CA TYR A 60 60.484 -4.026 2.217 1.00 0.00 C ATOM 948 C TYR A 60 60.355 -3.175 0.949 1.00 0.00 C ATOM 949 O TYR A 60 60.630 -3.640 -0.142 1.00 0.00 O ATOM 950 CB TYR A 60 59.135 -4.659 2.574 1.00 0.00 C ATOM 951 CG TYR A 60 59.347 -6.072 3.064 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.664 -6.307 4.408 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.225 -7.147 2.177 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.860 -7.616 4.863 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.420 -8.457 2.632 1.00 0.00 C ATOM 956 CZ TYR A 60 59.737 -8.691 3.975 1.00 0.00 C ATOM 957 OH TYR A 60 59.930 -9.982 4.423 1.00 0.00 O ATOM 0 H TYR A 60 60.131 -3.127 4.123 1.00 0.00 H new ATOM 0 HA TYR A 60 61.248 -4.777 2.016 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.638 -4.068 3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.482 -4.661 1.702 1.00 0.00 H new ATOM 0 HD1 TYR A 60 59.757 -5.478 5.094 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.980 -6.966 1.141 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.106 -7.797 5.899 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.326 -9.286 1.947 1.00 0.00 H new ATOM 0 HH TYR A 60 59.806 -10.608 3.679 1.00 0.00 H new ATOM 967 N VAL A 61 59.936 -1.940 1.078 1.00 0.00 N ATOM 968 CA VAL A 61 59.788 -1.071 -0.133 1.00 0.00 C ATOM 969 C VAL A 61 60.872 0.009 -0.169 1.00 0.00 C ATOM 970 O VAL A 61 61.598 0.213 0.785 1.00 0.00 O ATOM 971 CB VAL A 61 58.401 -0.427 -0.024 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.327 -1.514 -0.084 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.283 0.338 1.298 1.00 0.00 C ATOM 0 H VAL A 61 59.691 -1.497 1.964 1.00 0.00 H new ATOM 0 HA VAL A 61 59.892 -1.654 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 61 58.263 0.268 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.341 -1.056 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.405 -2.050 -1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.469 -2.212 0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.295 0.793 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.426 -0.351 2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.045 1.117 1.337 1.00 0.00 H new ATOM 983 N THR A 62 60.970 0.704 -1.271 1.00 0.00 N ATOM 984 CA THR A 62 61.989 1.785 -1.405 1.00 0.00 C ATOM 985 C THR A 62 61.394 2.940 -2.239 1.00 0.00 C ATOM 986 O THR A 62 60.271 3.341 -2.006 1.00 0.00 O ATOM 987 CB THR A 62 63.184 1.112 -2.101 1.00 0.00 C ATOM 988 OG1 THR A 62 64.231 2.060 -2.259 1.00 0.00 O ATOM 989 CG2 THR A 62 62.762 0.586 -3.476 1.00 0.00 C ATOM 0 H THR A 62 60.381 0.567 -2.092 1.00 0.00 H new ATOM 0 HA THR A 62 62.296 2.221 -0.454 1.00 0.00 H new ATOM 0 HB THR A 62 63.530 0.278 -1.491 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.995 1.633 -2.701 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.615 0.111 -3.961 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.960 -0.143 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.410 1.415 -4.090 1.00 0.00 H new ATOM 997 N GLU A 63 62.114 3.478 -3.198 1.00 0.00 N ATOM 998 CA GLU A 63 61.552 4.594 -4.019 1.00 0.00 C ATOM 999 C GLU A 63 60.778 4.031 -5.212 1.00 0.00 C ATOM 1000 O GLU A 63 61.240 3.142 -5.897 1.00 0.00 O ATOM 1001 CB GLU A 63 62.764 5.398 -4.489 1.00 0.00 C ATOM 1002 CG GLU A 63 62.409 6.886 -4.520 1.00 0.00 C ATOM 1003 CD GLU A 63 63.321 7.609 -5.513 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.527 7.524 -5.349 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.798 8.233 -6.421 1.00 0.00 O ATOM 0 H GLU A 63 63.062 3.192 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 63 60.855 5.213 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.608 5.228 -3.820 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.072 5.066 -5.481 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.366 7.016 -4.808 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.522 7.318 -3.526 1.00 0.00 H new ATOM 1012 N ALA A 64 59.593 4.543 -5.456 1.00 0.00 N ATOM 1013 CA ALA A 64 58.747 4.047 -6.596 1.00 0.00 C ATOM 1014 C ALA A 64 59.567 3.895 -7.888 1.00 0.00 C ATOM 1015 O ALA A 64 59.263 3.078 -8.736 1.00 0.00 O ATOM 1016 CB ALA A 64 57.680 5.119 -6.788 1.00 0.00 C ATOM 0 H ALA A 64 59.170 5.292 -4.908 1.00 0.00 H new ATOM 0 HA ALA A 64 58.330 3.064 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.019 4.832 -7.605 1.00 0.00 H new ATOM 0 HB2 ALA A 64 57.100 5.223 -5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.158 6.070 -7.025 1.00 0.00 H new