USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 65 MET CE :methyl -171:sc= -1.36 (180deg=-1.55) USER MOD Set 1.2: A 68 ASN : amide:sc= -2.87 K(o=-4.2,f=-16!) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= -3.02 (180deg=-3.96!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0.426 (180deg=0.308) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0531 (180deg=-0.566) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot -139:sc= -0.752 USER MOD Single : A 28 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00864) USER MOD Single : A 30 GLN : amide:sc= -4.13 K(o=-4.1,f=-3) USER MOD Single : A 32 MET CE :methyl -133:sc= -0.167 (180deg=-1.28!) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 171:sc= 0.0239 (180deg=-0.0303) USER MOD Single : A 64 LYS NZ :NH3+ 161:sc= -3.07! (180deg=-3.33!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0436) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -1.86! K(o=-1.9!,f=-0.72) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -2.62! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 133 N LYS A 9 1.898 7.949 -12.713 1.00 0.00 N ATOM 134 CA LYS A 9 2.367 7.998 -11.334 1.00 0.00 C ATOM 135 C LYS A 9 1.706 9.139 -10.568 1.00 0.00 C ATOM 136 O LYS A 9 1.234 10.108 -11.163 1.00 0.00 O ATOM 137 CB LYS A 9 3.888 8.167 -11.300 1.00 0.00 C ATOM 138 CG LYS A 9 4.649 6.853 -11.233 1.00 0.00 C ATOM 139 CD LYS A 9 4.200 6.006 -10.051 1.00 0.00 C ATOM 140 CE LYS A 9 3.626 4.672 -10.499 1.00 0.00 C ATOM 141 NZ LYS A 9 2.483 4.840 -11.440 1.00 0.00 N ATOM 0 HA LYS A 9 2.095 7.058 -10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.204 8.714 -12.188 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.157 8.777 -10.438 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.498 6.297 -12.158 1.00 0.00 H new ATOM 0 HG3 LYS A 9 5.717 7.054 -11.152 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.046 5.833 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.450 6.551 -9.478 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.408 4.085 -10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.296 4.108 -9.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 2.287 3.935 -11.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 1.640 5.144 -10.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.723 5.559 -12.153 1.00 0.00 H new ATOM 155 N GLU A 10 1.683 9.018 -9.245 1.00 0.00 N ATOM 156 CA GLU A 10 1.087 10.040 -8.392 1.00 0.00 C ATOM 157 C GLU A 10 1.756 10.057 -7.018 1.00 0.00 C ATOM 158 O GLU A 10 1.643 9.097 -6.255 1.00 0.00 O ATOM 159 CB GLU A 10 -0.414 9.791 -8.234 1.00 0.00 C ATOM 160 CG GLU A 10 -1.211 10.051 -9.503 1.00 0.00 C ATOM 161 CD GLU A 10 -0.924 11.413 -10.105 1.00 0.00 C ATOM 162 OE1 GLU A 10 -0.793 12.387 -9.334 1.00 0.00 O ATOM 163 OE2 GLU A 10 -0.830 11.506 -11.346 1.00 0.00 O ATOM 0 H GLU A 10 2.071 8.221 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 10 1.240 11.009 -8.867 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.572 8.759 -7.921 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.798 10.428 -7.437 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.981 9.278 -10.236 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.275 9.973 -9.281 1.00 0.00 H new ATOM 170 N PRO A 11 2.468 11.148 -6.681 1.00 0.00 N ATOM 171 CA PRO A 11 3.154 11.275 -5.399 1.00 0.00 C ATOM 172 C PRO A 11 2.240 11.801 -4.297 1.00 0.00 C ATOM 173 O PRO A 11 1.843 12.966 -4.309 1.00 0.00 O ATOM 174 CB PRO A 11 4.250 12.287 -5.707 1.00 0.00 C ATOM 175 CG PRO A 11 3.658 13.179 -6.746 1.00 0.00 C ATOM 176 CD PRO A 11 2.668 12.343 -7.525 1.00 0.00 C ATOM 0 HA PRO A 11 3.517 10.317 -5.027 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.532 12.849 -4.817 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.151 11.796 -6.073 1.00 0.00 H new ATOM 0 HG2 PRO A 11 3.164 14.034 -6.285 1.00 0.00 H new ATOM 0 HG3 PRO A 11 4.432 13.574 -7.403 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.733 12.879 -7.686 1.00 0.00 H new ATOM 0 HD3 PRO A 11 3.056 12.077 -8.508 1.00 0.00 H new ATOM 184 N ALA A 12 1.919 10.937 -3.341 1.00 0.00 N ATOM 185 CA ALA A 12 1.060 11.315 -2.226 1.00 0.00 C ATOM 186 C ALA A 12 1.787 11.123 -0.900 1.00 0.00 C ATOM 187 O ALA A 12 2.731 10.336 -0.813 1.00 0.00 O ATOM 188 CB ALA A 12 -0.228 10.508 -2.254 1.00 0.00 C ATOM 0 H ALA A 12 2.241 9.969 -3.316 1.00 0.00 H new ATOM 0 HA ALA A 12 0.808 12.371 -2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.859 10.801 -1.415 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -0.756 10.697 -3.189 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.006 9.446 -2.178 1.00 0.00 H new ATOM 194 N THR A 13 1.357 11.847 0.128 1.00 0.00 N ATOM 195 CA THR A 13 1.992 11.745 1.437 1.00 0.00 C ATOM 196 C THR A 13 1.220 10.814 2.366 1.00 0.00 C ATOM 197 O THR A 13 0.147 11.155 2.859 1.00 0.00 O ATOM 198 CB THR A 13 2.111 13.130 2.075 1.00 0.00 C ATOM 199 OG1 THR A 13 2.505 14.094 1.115 1.00 0.00 O ATOM 200 CG2 THR A 13 3.109 13.179 3.212 1.00 0.00 C ATOM 0 H THR A 13 0.579 12.505 0.082 1.00 0.00 H new ATOM 0 HA THR A 13 2.987 11.325 1.289 1.00 0.00 H new ATOM 0 HB THR A 13 1.120 13.352 2.471 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.574 14.973 1.543 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.146 14.189 3.621 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.805 12.482 3.993 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.096 12.901 2.842 1.00 0.00 H new ATOM 208 N LEU A 14 1.795 9.645 2.617 1.00 0.00 N ATOM 209 CA LEU A 14 1.191 8.660 3.504 1.00 0.00 C ATOM 210 C LEU A 14 1.388 9.086 4.951 1.00 0.00 C ATOM 211 O LEU A 14 2.503 9.043 5.472 1.00 0.00 O ATOM 212 CB LEU A 14 1.839 7.291 3.263 1.00 0.00 C ATOM 213 CG LEU A 14 1.146 6.071 3.897 1.00 0.00 C ATOM 214 CD1 LEU A 14 0.513 6.412 5.238 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.109 5.495 2.947 1.00 0.00 C ATOM 0 H LEU A 14 2.686 9.355 2.215 1.00 0.00 H new ATOM 0 HA LEU A 14 0.123 8.590 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.896 7.127 2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.863 7.330 3.634 1.00 0.00 H new ATOM 0 HG LEU A 14 1.912 5.318 4.081 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.035 5.524 5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.283 6.762 5.925 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.233 7.195 5.100 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.371 4.633 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.642 6.253 2.725 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.595 5.185 2.022 1.00 0.00 H new ATOM 227 N ILE A 15 0.309 9.501 5.599 1.00 0.00 N ATOM 228 CA ILE A 15 0.395 9.936 6.988 1.00 0.00 C ATOM 229 C ILE A 15 0.551 8.747 7.933 1.00 0.00 C ATOM 230 O ILE A 15 1.413 8.763 8.812 1.00 0.00 O ATOM 231 CB ILE A 15 -0.827 10.777 7.408 1.00 0.00 C ATOM 232 CG1 ILE A 15 -2.118 9.982 7.232 1.00 0.00 C ATOM 233 CG2 ILE A 15 -0.884 12.066 6.604 1.00 0.00 C ATOM 234 CD1 ILE A 15 -2.503 9.178 8.452 1.00 0.00 C ATOM 0 H ILE A 15 -0.626 9.546 5.193 1.00 0.00 H new ATOM 0 HA ILE A 15 1.282 10.565 7.061 1.00 0.00 H new ATOM 0 HB ILE A 15 -0.723 11.029 8.463 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.928 10.670 6.989 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.007 9.308 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.752 12.649 6.912 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.023 12.645 6.780 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.964 11.830 5.543 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.430 8.639 8.255 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.711 8.466 8.683 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.647 9.849 9.299 1.00 0.00 H new ATOM 246 N LYS A 16 -0.268 7.712 7.747 1.00 0.00 N ATOM 247 CA LYS A 16 -0.185 6.522 8.597 1.00 0.00 C ATOM 248 C LYS A 16 -1.194 5.455 8.178 1.00 0.00 C ATOM 249 O LYS A 16 -2.044 5.686 7.318 1.00 0.00 O ATOM 250 CB LYS A 16 -0.390 6.892 10.074 1.00 0.00 C ATOM 251 CG LYS A 16 -1.845 7.109 10.475 1.00 0.00 C ATOM 252 CD LYS A 16 -2.255 6.187 11.612 1.00 0.00 C ATOM 253 CE LYS A 16 -3.763 5.998 11.656 1.00 0.00 C ATOM 254 NZ LYS A 16 -4.170 5.011 12.694 1.00 0.00 N ATOM 0 H LYS A 16 -0.988 7.671 7.026 1.00 0.00 H new ATOM 0 HA LYS A 16 0.814 6.105 8.472 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.031 6.102 10.695 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.172 7.800 10.289 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.989 8.146 10.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.490 6.935 9.614 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.769 5.219 11.491 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.911 6.600 12.560 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.243 6.956 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.115 5.664 10.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.199 5.059 12.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.906 4.054 12.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.689 5.230 13.589 1.00 0.00 H new ATOM 268 N ALA A 17 -1.090 4.287 8.805 1.00 0.00 N ATOM 269 CA ALA A 17 -1.986 3.171 8.519 1.00 0.00 C ATOM 270 C ALA A 17 -3.156 3.146 9.498 1.00 0.00 C ATOM 271 O ALA A 17 -3.019 3.549 10.653 1.00 0.00 O ATOM 272 CB ALA A 17 -1.220 1.856 8.566 1.00 0.00 C ATOM 0 H ALA A 17 -0.389 4.088 9.519 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.391 3.304 7.516 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.899 1.031 8.351 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.423 1.873 7.823 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.789 1.721 9.558 1.00 0.00 H new ATOM 278 N ILE A 18 -4.310 2.678 9.029 1.00 0.00 N ATOM 279 CA ILE A 18 -5.501 2.614 9.869 1.00 0.00 C ATOM 280 C ILE A 18 -5.793 1.187 10.331 1.00 0.00 C ATOM 281 O ILE A 18 -5.646 0.867 11.511 1.00 0.00 O ATOM 282 CB ILE A 18 -6.737 3.168 9.133 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.427 4.542 8.535 1.00 0.00 C ATOM 284 CG2 ILE A 18 -7.927 3.253 10.078 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.371 4.944 7.421 1.00 0.00 C ATOM 0 H ILE A 18 -4.445 2.339 8.076 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.296 3.232 10.743 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.992 2.486 8.322 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.471 5.291 9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.406 4.541 8.153 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.790 3.646 9.541 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -8.159 2.259 10.461 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -7.685 3.915 10.910 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.092 5.928 7.045 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.311 4.216 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.391 4.978 7.803 1.00 0.00 H new ATOM 297 N ASP A 19 -6.219 0.335 9.402 1.00 0.00 N ATOM 298 CA ASP A 19 -6.543 -1.051 9.728 1.00 0.00 C ATOM 299 C ASP A 19 -5.642 -2.029 8.976 1.00 0.00 C ATOM 300 O ASP A 19 -6.106 -3.052 8.473 1.00 0.00 O ATOM 301 CB ASP A 19 -8.011 -1.338 9.401 1.00 0.00 C ATOM 302 CG ASP A 19 -8.714 -2.090 10.513 1.00 0.00 C ATOM 303 OD1 ASP A 19 -8.287 -3.221 10.829 1.00 0.00 O ATOM 304 OD2 ASP A 19 -9.694 -1.550 11.068 1.00 0.00 O ATOM 0 H ASP A 19 -6.348 0.579 8.420 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.374 -1.191 10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.530 -0.397 9.217 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.069 -1.919 8.480 1.00 0.00 H new ATOM 309 N GLY A 20 -4.354 -1.713 8.905 1.00 0.00 N ATOM 310 CA GLY A 20 -3.417 -2.581 8.214 1.00 0.00 C ATOM 311 C GLY A 20 -3.408 -2.350 6.716 1.00 0.00 C ATOM 312 O GLY A 20 -2.367 -2.041 6.136 1.00 0.00 O ATOM 0 H GLY A 20 -3.942 -0.874 9.312 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.415 -2.417 8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.673 -3.621 8.416 1.00 0.00 H new ATOM 316 N ASP A 21 -4.572 -2.490 6.090 1.00 0.00 N ATOM 317 CA ASP A 21 -4.697 -2.287 4.652 1.00 0.00 C ATOM 318 C ASP A 21 -5.189 -0.874 4.363 1.00 0.00 C ATOM 319 O ASP A 21 -4.742 -0.231 3.415 1.00 0.00 O ATOM 320 CB ASP A 21 -5.659 -3.312 4.049 1.00 0.00 C ATOM 321 CG ASP A 21 -5.099 -4.721 4.087 1.00 0.00 C ATOM 322 OD1 ASP A 21 -4.387 -5.102 3.134 1.00 0.00 O ATOM 323 OD2 ASP A 21 -5.375 -5.443 5.068 1.00 0.00 O ATOM 0 H ASP A 21 -5.443 -2.743 6.557 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.716 -2.421 4.196 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.603 -3.284 4.593 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -5.877 -3.038 3.017 1.00 0.00 H new ATOM 328 N THR A 22 -6.102 -0.394 5.200 1.00 0.00 N ATOM 329 CA THR A 22 -6.645 0.948 5.048 1.00 0.00 C ATOM 330 C THR A 22 -5.649 1.978 5.567 1.00 0.00 C ATOM 331 O THR A 22 -5.450 2.108 6.774 1.00 0.00 O ATOM 332 CB THR A 22 -7.971 1.075 5.802 1.00 0.00 C ATOM 333 OG1 THR A 22 -8.539 -0.202 6.038 1.00 0.00 O ATOM 334 CG2 THR A 22 -9.001 1.906 5.068 1.00 0.00 C ATOM 0 H THR A 22 -6.481 -0.915 5.991 1.00 0.00 H new ATOM 0 HA THR A 22 -6.826 1.132 3.989 1.00 0.00 H new ATOM 0 HB THR A 22 -7.723 1.576 6.737 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.385 -0.099 6.522 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.916 1.955 5.658 1.00 0.00 H new ATOM 0 HG22 THR A 22 -8.614 2.913 4.915 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.216 1.449 4.102 1.00 0.00 H new ATOM 342 N VAL A 23 -5.016 2.699 4.650 1.00 0.00 N ATOM 343 CA VAL A 23 -4.031 3.707 5.022 1.00 0.00 C ATOM 344 C VAL A 23 -4.345 5.052 4.380 1.00 0.00 C ATOM 345 O VAL A 23 -4.808 5.115 3.241 1.00 0.00 O ATOM 346 CB VAL A 23 -2.612 3.276 4.609 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.185 2.031 5.372 1.00 0.00 C ATOM 348 CG2 VAL A 23 -2.540 3.042 3.106 1.00 0.00 C ATOM 0 H VAL A 23 -5.167 2.605 3.646 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.077 3.808 6.106 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.922 4.081 4.862 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.179 1.743 5.065 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.192 2.240 6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.877 1.217 5.156 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.529 2.738 2.833 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -3.243 2.257 2.826 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.796 3.963 2.582 1.00 0.00 H new ATOM 358 N LYS A 24 -4.085 6.127 5.115 1.00 0.00 N ATOM 359 CA LYS A 24 -4.333 7.471 4.612 1.00 0.00 C ATOM 360 C LYS A 24 -3.180 7.931 3.725 1.00 0.00 C ATOM 361 O LYS A 24 -2.019 7.624 3.989 1.00 0.00 O ATOM 362 CB LYS A 24 -4.532 8.449 5.771 1.00 0.00 C ATOM 363 CG LYS A 24 -4.571 9.905 5.336 1.00 0.00 C ATOM 364 CD LYS A 24 -5.776 10.185 4.454 1.00 0.00 C ATOM 365 CE LYS A 24 -7.041 10.365 5.278 1.00 0.00 C ATOM 366 NZ LYS A 24 -7.943 11.396 4.694 1.00 0.00 N ATOM 0 H LYS A 24 -3.703 6.093 6.060 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.244 7.450 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.462 8.207 6.285 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.725 8.315 6.492 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -4.603 10.549 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.657 10.150 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.595 11.083 3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -5.912 9.363 3.751 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.570 9.414 5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.774 10.651 6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.896 11.293 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.575 12.344 4.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.989 11.273 3.662 1.00 0.00 H new ATOM 380 N LEU A 25 -3.512 8.657 2.667 1.00 0.00 N ATOM 381 CA LEU A 25 -2.510 9.151 1.728 1.00 0.00 C ATOM 382 C LEU A 25 -2.844 10.558 1.241 1.00 0.00 C ATOM 383 O LEU A 25 -3.857 10.758 0.577 1.00 0.00 O ATOM 384 CB LEU A 25 -2.435 8.217 0.518 1.00 0.00 C ATOM 385 CG LEU A 25 -1.244 7.259 0.485 1.00 0.00 C ATOM 386 CD1 LEU A 25 -1.689 5.872 0.047 1.00 0.00 C ATOM 387 CD2 LEU A 25 -0.166 7.780 -0.451 1.00 0.00 C ATOM 0 H LEU A 25 -4.470 8.919 2.435 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.553 9.181 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.351 7.628 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.411 8.826 -0.386 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.831 7.193 1.491 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.829 5.203 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.431 5.490 0.748 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.126 5.928 -0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.674 7.085 -0.461 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.573 7.873 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.175 8.756 -0.106 1.00 0.00 H new ATOM 399 N MET A 26 -1.966 11.518 1.522 1.00 0.00 N ATOM 400 CA MET A 26 -2.171 12.888 1.053 1.00 0.00 C ATOM 401 C MET A 26 -1.920 12.916 -0.450 1.00 0.00 C ATOM 402 O MET A 26 -0.773 12.922 -0.899 1.00 0.00 O ATOM 403 CB MET A 26 -1.214 13.849 1.763 1.00 0.00 C ATOM 404 CG MET A 26 -1.788 15.241 1.965 1.00 0.00 C ATOM 405 SD MET A 26 -0.549 16.538 1.786 1.00 0.00 S ATOM 406 CE MET A 26 -1.402 17.926 2.528 1.00 0.00 C ATOM 0 H MET A 26 -1.115 11.376 2.066 1.00 0.00 H new ATOM 0 HA MET A 26 -3.190 13.206 1.274 1.00 0.00 H new ATOM 0 HB2 MET A 26 -0.947 13.431 2.734 1.00 0.00 H new ATOM 0 HB3 MET A 26 -0.293 13.925 1.184 1.00 0.00 H new ATOM 0 HG2 MET A 26 -2.589 15.407 1.244 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.234 15.305 2.957 1.00 0.00 H new ATOM 0 HE1 MET A 26 -0.762 18.807 2.493 1.00 0.00 H new ATOM 0 HE2 MET A 26 -2.322 18.124 1.978 1.00 0.00 H new ATOM 0 HE3 MET A 26 -1.642 17.693 3.565 1.00 0.00 H new ATOM 416 N TYR A 27 -2.997 12.881 -1.222 1.00 0.00 N ATOM 417 CA TYR A 27 -2.903 12.848 -2.676 1.00 0.00 C ATOM 418 C TYR A 27 -3.043 14.237 -3.295 1.00 0.00 C ATOM 419 O TYR A 27 -4.133 14.808 -3.334 1.00 0.00 O ATOM 420 CB TYR A 27 -3.976 11.902 -3.214 1.00 0.00 C ATOM 421 CG TYR A 27 -3.980 11.742 -4.714 1.00 0.00 C ATOM 422 CD1 TYR A 27 -4.497 12.734 -5.530 1.00 0.00 C ATOM 423 CD2 TYR A 27 -3.484 10.590 -5.309 1.00 0.00 C ATOM 424 CE1 TYR A 27 -4.520 12.589 -6.900 1.00 0.00 C ATOM 425 CE2 TYR A 27 -3.503 10.432 -6.680 1.00 0.00 C ATOM 426 CZ TYR A 27 -4.023 11.436 -7.473 1.00 0.00 C ATOM 427 OH TYR A 27 -4.045 11.286 -8.842 1.00 0.00 O ATOM 0 H TYR A 27 -3.952 12.875 -0.864 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.913 12.487 -2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -3.839 10.922 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.954 12.266 -2.898 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -4.889 13.637 -5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.077 9.805 -4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.925 13.373 -7.522 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.114 9.530 -7.129 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.309 10.369 -9.066 1.00 0.00 H new ATOM 437 N LYS A 28 -1.923 14.766 -3.790 1.00 0.00 N ATOM 438 CA LYS A 28 -1.895 16.083 -4.428 1.00 0.00 C ATOM 439 C LYS A 28 -2.675 17.117 -3.620 1.00 0.00 C ATOM 440 O LYS A 28 -3.504 17.847 -4.163 1.00 0.00 O ATOM 441 CB LYS A 28 -2.461 15.995 -5.847 1.00 0.00 C ATOM 442 CG LYS A 28 -1.442 15.539 -6.880 1.00 0.00 C ATOM 443 CD LYS A 28 -0.389 16.606 -7.133 1.00 0.00 C ATOM 444 CE LYS A 28 -0.894 17.674 -8.091 1.00 0.00 C ATOM 445 NZ LYS A 28 -0.864 17.208 -9.505 1.00 0.00 N ATOM 0 H LYS A 28 -1.017 14.298 -3.761 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.855 16.407 -4.472 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.304 15.304 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.848 16.972 -6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -0.959 14.624 -6.537 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.951 15.300 -7.814 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.105 17.069 -6.188 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.508 16.143 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.913 17.952 -7.821 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.282 18.571 -7.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.135 17.991 -10.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.096 16.887 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.532 16.420 -9.625 1.00 0.00 H new ATOM 459 N GLY A 29 -2.404 17.174 -2.321 1.00 0.00 N ATOM 460 CA GLY A 29 -3.091 18.123 -1.465 1.00 0.00 C ATOM 461 C GLY A 29 -4.425 17.603 -0.963 1.00 0.00 C ATOM 462 O GLY A 29 -5.003 18.163 -0.032 1.00 0.00 O ATOM 0 H GLY A 29 -1.723 16.582 -1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.456 18.363 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.251 19.051 -2.014 1.00 0.00 H new ATOM 466 N GLN A 30 -4.915 16.528 -1.575 1.00 0.00 N ATOM 467 CA GLN A 30 -6.184 15.938 -1.175 1.00 0.00 C ATOM 468 C GLN A 30 -5.970 14.488 -0.725 1.00 0.00 C ATOM 469 O GLN A 30 -5.877 13.578 -1.545 1.00 0.00 O ATOM 470 CB GLN A 30 -7.189 16.049 -2.345 1.00 0.00 C ATOM 471 CG GLN A 30 -7.907 14.760 -2.742 1.00 0.00 C ATOM 472 CD GLN A 30 -7.210 14.026 -3.870 1.00 0.00 C ATOM 473 OE1 GLN A 30 -6.794 14.634 -4.856 1.00 0.00 O ATOM 474 NE2 GLN A 30 -7.089 12.711 -3.733 1.00 0.00 N ATOM 0 H GLN A 30 -4.452 16.050 -2.348 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.601 16.478 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -7.941 16.793 -2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.658 16.428 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -7.974 14.104 -1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -8.928 14.995 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.449 12.250 -2.898 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -6.636 12.162 -4.463 1.00 0.00 H new ATOM 483 N PRO A 31 -5.866 14.263 0.597 1.00 0.00 N ATOM 484 CA PRO A 31 -5.641 12.930 1.161 1.00 0.00 C ATOM 485 C PRO A 31 -6.799 11.969 0.922 1.00 0.00 C ATOM 486 O PRO A 31 -7.968 12.353 0.960 1.00 0.00 O ATOM 487 CB PRO A 31 -5.466 13.188 2.664 1.00 0.00 C ATOM 488 CG PRO A 31 -5.176 14.644 2.776 1.00 0.00 C ATOM 489 CD PRO A 31 -5.922 15.287 1.647 1.00 0.00 C ATOM 0 HA PRO A 31 -4.783 12.450 0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.367 12.922 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.652 12.591 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.505 15.037 3.738 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.106 14.838 2.701 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.949 15.526 1.925 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.452 16.218 1.330 1.00 0.00 H new ATOM 497 N MET A 32 -6.448 10.711 0.687 1.00 0.00 N ATOM 498 CA MET A 32 -7.424 9.657 0.451 1.00 0.00 C ATOM 499 C MET A 32 -6.919 8.352 1.049 1.00 0.00 C ATOM 500 O MET A 32 -5.713 8.139 1.160 1.00 0.00 O ATOM 501 CB MET A 32 -7.673 9.485 -1.049 1.00 0.00 C ATOM 502 CG MET A 32 -8.621 10.521 -1.632 1.00 0.00 C ATOM 503 SD MET A 32 -10.346 10.193 -1.218 1.00 0.00 S ATOM 504 CE MET A 32 -11.144 10.549 -2.782 1.00 0.00 C ATOM 0 H MET A 32 -5.479 10.394 0.655 1.00 0.00 H new ATOM 0 HA MET A 32 -8.365 9.933 0.927 1.00 0.00 H new ATOM 0 HB2 MET A 32 -6.720 9.540 -1.575 1.00 0.00 H new ATOM 0 HB3 MET A 32 -8.080 8.490 -1.229 1.00 0.00 H new ATOM 0 HG2 MET A 32 -8.344 11.509 -1.264 1.00 0.00 H new ATOM 0 HG3 MET A 32 -8.509 10.542 -2.716 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.015 11.182 -2.610 1.00 0.00 H new ATOM 0 HE2 MET A 32 -10.444 11.065 -3.439 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.460 9.617 -3.250 1.00 0.00 H new ATOM 514 N THR A 33 -7.840 7.483 1.440 1.00 0.00 N ATOM 515 CA THR A 33 -7.469 6.204 2.030 1.00 0.00 C ATOM 516 C THR A 33 -7.242 5.160 0.944 1.00 0.00 C ATOM 517 O THR A 33 -8.140 4.872 0.153 1.00 0.00 O ATOM 518 CB THR A 33 -8.556 5.731 2.993 1.00 0.00 C ATOM 519 OG1 THR A 33 -9.077 6.817 3.735 1.00 0.00 O ATOM 520 CG2 THR A 33 -8.068 4.692 3.979 1.00 0.00 C ATOM 0 H THR A 33 -8.845 7.638 1.360 1.00 0.00 H new ATOM 0 HA THR A 33 -6.540 6.337 2.584 1.00 0.00 H new ATOM 0 HB THR A 33 -9.324 5.280 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.773 6.493 4.344 1.00 0.00 H new ATOM 0 HG21 THR A 33 -8.888 4.398 4.634 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.706 3.818 3.437 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.258 5.110 4.577 1.00 0.00 H new ATOM 528 N PHE A 34 -6.038 4.595 0.903 1.00 0.00 N ATOM 529 CA PHE A 34 -5.716 3.589 -0.099 1.00 0.00 C ATOM 530 C PHE A 34 -5.571 2.206 0.524 1.00 0.00 C ATOM 531 O PHE A 34 -4.785 2.007 1.449 1.00 0.00 O ATOM 532 CB PHE A 34 -4.435 3.950 -0.854 1.00 0.00 C ATOM 533 CG PHE A 34 -4.517 5.255 -1.583 1.00 0.00 C ATOM 534 CD1 PHE A 34 -4.737 6.430 -0.888 1.00 0.00 C ATOM 535 CD2 PHE A 34 -4.372 5.310 -2.960 1.00 0.00 C ATOM 536 CE1 PHE A 34 -4.809 7.640 -1.546 1.00 0.00 C ATOM 537 CE2 PHE A 34 -4.446 6.519 -3.628 1.00 0.00 C ATOM 538 CZ PHE A 34 -4.665 7.686 -2.918 1.00 0.00 C ATOM 0 H PHE A 34 -5.278 4.815 1.546 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.547 3.566 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -3.606 3.989 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.208 3.158 -1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.854 6.400 0.185 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -4.200 4.401 -3.517 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.978 8.550 -0.989 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -4.333 6.552 -4.702 1.00 0.00 H new ATOM 0 HZ PHE A 34 -4.723 8.632 -3.436 1.00 0.00 H new ATOM 548 N ARG A 35 -6.325 1.250 -0.006 1.00 0.00 N ATOM 549 CA ARG A 35 -6.279 -0.122 0.477 1.00 0.00 C ATOM 550 C ARG A 35 -5.383 -0.963 -0.427 1.00 0.00 C ATOM 551 O ARG A 35 -5.657 -1.115 -1.618 1.00 0.00 O ATOM 552 CB ARG A 35 -7.689 -0.714 0.528 1.00 0.00 C ATOM 553 CG ARG A 35 -7.724 -2.191 0.893 1.00 0.00 C ATOM 554 CD ARG A 35 -8.320 -2.414 2.274 1.00 0.00 C ATOM 555 NE ARG A 35 -8.515 -3.831 2.562 1.00 0.00 N ATOM 556 CZ ARG A 35 -8.825 -4.307 3.765 1.00 0.00 C ATOM 557 NH1 ARG A 35 -8.980 -3.481 4.793 1.00 0.00 N ATOM 558 NH2 ARG A 35 -8.983 -5.612 3.943 1.00 0.00 N ATOM 0 H ARG A 35 -6.978 1.403 -0.774 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.865 -0.127 1.485 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.281 -0.156 1.254 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.165 -0.578 -0.443 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.309 -2.735 0.152 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -6.713 -2.598 0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.664 -1.978 3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -9.276 -1.895 2.345 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.407 -4.496 1.796 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -8.861 -2.476 4.662 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.218 -3.851 5.713 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.867 -6.252 3.157 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.221 -5.976 4.866 1.00 0.00 H new ATOM 572 N LEU A 36 -4.308 -1.500 0.139 1.00 0.00 N ATOM 573 CA LEU A 36 -3.375 -2.316 -0.631 1.00 0.00 C ATOM 574 C LEU A 36 -4.054 -3.584 -1.136 1.00 0.00 C ATOM 575 O LEU A 36 -5.084 -4.001 -0.606 1.00 0.00 O ATOM 576 CB LEU A 36 -2.142 -2.681 0.206 1.00 0.00 C ATOM 577 CG LEU A 36 -1.745 -1.665 1.283 1.00 0.00 C ATOM 578 CD1 LEU A 36 -0.399 -2.033 1.890 1.00 0.00 C ATOM 579 CD2 LEU A 36 -1.702 -0.258 0.705 1.00 0.00 C ATOM 0 H LEU A 36 -4.061 -1.386 1.122 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.050 -1.726 -1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.324 -3.641 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.296 -2.818 -0.468 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.498 -1.688 2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.132 -1.302 2.653 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.462 -3.023 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.362 -2.039 1.110 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.418 0.448 1.486 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.971 -0.219 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.686 0.006 0.317 1.00 0.00 H new ATOM 900 N PRO A 56 3.275 -4.000 13.479 1.00 0.00 N ATOM 901 CA PRO A 56 4.639 -3.526 13.212 1.00 0.00 C ATOM 902 C PRO A 56 4.956 -3.396 11.722 1.00 0.00 C ATOM 903 O PRO A 56 5.903 -2.708 11.344 1.00 0.00 O ATOM 904 CB PRO A 56 5.516 -4.612 13.838 1.00 0.00 C ATOM 905 CG PRO A 56 4.673 -5.202 14.912 1.00 0.00 C ATOM 906 CD PRO A 56 3.264 -5.158 14.393 1.00 0.00 C ATOM 0 HA PRO A 56 4.795 -2.526 13.617 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.803 -5.363 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 56 6.438 -4.193 14.242 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.978 -6.225 15.131 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.767 -4.636 15.839 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.998 -6.078 13.873 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.542 -5.027 15.199 1.00 0.00 H new ATOM 914 N GLU A 57 4.181 -4.070 10.879 1.00 0.00 N ATOM 915 CA GLU A 57 4.419 -4.028 9.440 1.00 0.00 C ATOM 916 C GLU A 57 3.577 -2.956 8.744 1.00 0.00 C ATOM 917 O GLU A 57 4.086 -2.202 7.917 1.00 0.00 O ATOM 918 CB GLU A 57 4.164 -5.408 8.814 1.00 0.00 C ATOM 919 CG GLU A 57 2.696 -5.729 8.552 1.00 0.00 C ATOM 920 CD GLU A 57 1.910 -5.988 9.823 1.00 0.00 C ATOM 921 OE1 GLU A 57 2.519 -5.982 10.914 1.00 0.00 O ATOM 922 OE2 GLU A 57 0.682 -6.199 9.727 1.00 0.00 O ATOM 0 H GLU A 57 3.389 -4.647 11.163 1.00 0.00 H new ATOM 0 HA GLU A 57 5.465 -3.759 9.292 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.709 -5.471 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.577 -6.172 9.473 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.239 -4.900 8.012 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.631 -6.605 7.906 1.00 0.00 H new ATOM 929 N ALA A 58 2.289 -2.899 9.059 1.00 0.00 N ATOM 930 CA ALA A 58 1.404 -1.925 8.437 1.00 0.00 C ATOM 931 C ALA A 58 1.324 -0.629 9.233 1.00 0.00 C ATOM 932 O ALA A 58 1.739 0.425 8.762 1.00 0.00 O ATOM 933 CB ALA A 58 0.017 -2.519 8.252 1.00 0.00 C ATOM 0 H ALA A 58 1.837 -3.512 9.737 1.00 0.00 H new ATOM 0 HA ALA A 58 1.824 -1.679 7.462 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.636 -1.781 7.786 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.081 -3.401 7.615 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.390 -2.802 9.223 1.00 0.00 H new ATOM 939 N SER A 59 0.770 -0.709 10.435 1.00 0.00 N ATOM 940 CA SER A 59 0.615 0.465 11.284 1.00 0.00 C ATOM 941 C SER A 59 1.958 1.106 11.625 1.00 0.00 C ATOM 942 O SER A 59 2.065 2.330 11.708 1.00 0.00 O ATOM 943 CB SER A 59 -0.121 0.092 12.570 1.00 0.00 C ATOM 944 OG SER A 59 -1.448 -0.323 12.297 1.00 0.00 O ATOM 0 H SER A 59 0.420 -1.575 10.845 1.00 0.00 H new ATOM 0 HA SER A 59 0.030 1.195 10.725 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.415 -0.708 13.081 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.136 0.948 13.245 1.00 0.00 H new ATOM 0 HG SER A 59 -1.897 -0.558 13.136 1.00 0.00 H new ATOM 950 N ALA A 60 2.974 0.280 11.845 1.00 0.00 N ATOM 951 CA ALA A 60 4.295 0.784 12.204 1.00 0.00 C ATOM 952 C ALA A 60 5.177 1.064 10.988 1.00 0.00 C ATOM 953 O ALA A 60 5.603 2.198 10.775 1.00 0.00 O ATOM 954 CB ALA A 60 4.989 -0.191 13.142 1.00 0.00 C ATOM 0 H ALA A 60 2.910 -0.736 11.782 1.00 0.00 H new ATOM 0 HA ALA A 60 4.143 1.738 12.709 1.00 0.00 H new ATOM 0 HB1 ALA A 60 5.974 0.195 13.404 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.394 -0.311 14.047 1.00 0.00 H new ATOM 0 HB3 ALA A 60 5.097 -1.157 12.648 1.00 0.00 H new ATOM 960 N PHE A 61 5.475 0.027 10.207 1.00 0.00 N ATOM 961 CA PHE A 61 6.340 0.179 9.037 1.00 0.00 C ATOM 962 C PHE A 61 5.832 1.251 8.075 1.00 0.00 C ATOM 963 O PHE A 61 6.585 2.138 7.677 1.00 0.00 O ATOM 964 CB PHE A 61 6.487 -1.156 8.305 1.00 0.00 C ATOM 965 CG PHE A 61 7.914 -1.524 8.012 1.00 0.00 C ATOM 966 CD1 PHE A 61 8.871 -1.490 9.014 1.00 0.00 C ATOM 967 CD2 PHE A 61 8.296 -1.905 6.737 1.00 0.00 C ATOM 968 CE1 PHE A 61 10.184 -1.828 8.747 1.00 0.00 C ATOM 969 CE2 PHE A 61 9.609 -2.245 6.464 1.00 0.00 C ATOM 970 CZ PHE A 61 10.553 -2.206 7.471 1.00 0.00 C ATOM 0 H PHE A 61 5.133 -0.922 10.361 1.00 0.00 H new ATOM 0 HA PHE A 61 7.315 0.503 9.401 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.033 -1.943 8.907 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.932 -1.111 7.368 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.588 -1.196 10.014 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.561 -1.937 5.947 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.921 -1.797 9.536 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.895 -2.540 5.465 1.00 0.00 H new ATOM 0 HZ PHE A 61 11.579 -2.471 7.261 1.00 0.00 H new ATOM 980 N THR A 62 4.565 1.163 7.688 1.00 0.00 N ATOM 981 CA THR A 62 3.987 2.127 6.755 1.00 0.00 C ATOM 982 C THR A 62 4.150 3.562 7.259 1.00 0.00 C ATOM 983 O THR A 62 4.859 4.364 6.650 1.00 0.00 O ATOM 984 CB THR A 62 2.507 1.816 6.522 1.00 0.00 C ATOM 985 OG1 THR A 62 2.345 0.504 6.014 1.00 0.00 O ATOM 986 CG2 THR A 62 1.839 2.769 5.554 1.00 0.00 C ATOM 0 H THR A 62 3.920 0.439 8.003 1.00 0.00 H new ATOM 0 HA THR A 62 4.525 2.040 5.811 1.00 0.00 H new ATOM 0 HB THR A 62 2.032 1.924 7.497 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.392 0.323 5.873 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.792 2.491 5.434 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.903 3.786 5.942 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.341 2.717 4.588 1.00 0.00 H new ATOM 994 N LYS A 63 3.482 3.883 8.361 1.00 0.00 N ATOM 995 CA LYS A 63 3.542 5.223 8.939 1.00 0.00 C ATOM 996 C LYS A 63 4.981 5.667 9.208 1.00 0.00 C ATOM 997 O LYS A 63 5.260 6.863 9.295 1.00 0.00 O ATOM 998 CB LYS A 63 2.737 5.270 10.239 1.00 0.00 C ATOM 999 CG LYS A 63 2.663 6.655 10.861 1.00 0.00 C ATOM 1000 CD LYS A 63 3.807 6.891 11.834 1.00 0.00 C ATOM 1001 CE LYS A 63 4.328 8.317 11.746 1.00 0.00 C ATOM 1002 NZ LYS A 63 3.257 9.317 12.012 1.00 0.00 N ATOM 0 H LYS A 63 2.890 3.231 8.875 1.00 0.00 H new ATOM 0 HA LYS A 63 3.111 5.911 8.212 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.725 4.915 10.043 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.183 4.582 10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.691 7.410 10.075 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.712 6.771 11.381 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.469 6.688 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.617 6.193 11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 63 5.138 8.453 12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.748 8.490 10.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.679 10.264 12.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.572 9.309 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.771 9.077 12.899 1.00 0.00 H new ATOM 1016 N LYS A 64 5.890 4.707 9.353 1.00 0.00 N ATOM 1017 CA LYS A 64 7.291 5.021 9.629 1.00 0.00 C ATOM 1018 C LYS A 64 8.089 5.230 8.345 1.00 0.00 C ATOM 1019 O LYS A 64 8.722 6.269 8.160 1.00 0.00 O ATOM 1020 CB LYS A 64 7.931 3.908 10.461 1.00 0.00 C ATOM 1021 CG LYS A 64 7.647 4.022 11.951 1.00 0.00 C ATOM 1022 CD LYS A 64 8.821 3.531 12.783 1.00 0.00 C ATOM 1023 CE LYS A 64 8.390 2.479 13.792 1.00 0.00 C ATOM 1024 NZ LYS A 64 7.892 1.243 13.128 1.00 0.00 N ATOM 0 H LYS A 64 5.685 3.710 9.285 1.00 0.00 H new ATOM 0 HA LYS A 64 7.311 5.954 10.192 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.569 2.944 10.103 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.009 3.922 10.303 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.431 5.060 12.203 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.757 3.442 12.198 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.585 3.115 12.126 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.275 4.373 13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.232 2.230 14.438 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.607 2.888 14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.913 0.453 13.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.916 1.393 12.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.498 1.018 12.314 1.00 0.00 H new ATOM 1038 N MET A 65 8.067 4.232 7.467 1.00 0.00 N ATOM 1039 CA MET A 65 8.800 4.300 6.204 1.00 0.00 C ATOM 1040 C MET A 65 8.525 5.607 5.460 1.00 0.00 C ATOM 1041 O MET A 65 9.351 6.068 4.674 1.00 0.00 O ATOM 1042 CB MET A 65 8.433 3.108 5.317 1.00 0.00 C ATOM 1043 CG MET A 65 9.534 2.064 5.216 1.00 0.00 C ATOM 1044 SD MET A 65 10.474 2.194 3.682 1.00 0.00 S ATOM 1045 CE MET A 65 11.515 3.606 4.041 1.00 0.00 C ATOM 0 H MET A 65 7.549 3.364 7.606 1.00 0.00 H new ATOM 0 HA MET A 65 9.864 4.266 6.438 1.00 0.00 H new ATOM 0 HB2 MET A 65 7.532 2.637 5.710 1.00 0.00 H new ATOM 0 HB3 MET A 65 8.194 3.470 4.317 1.00 0.00 H new ATOM 0 HG2 MET A 65 10.211 2.172 6.063 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.094 1.069 5.285 1.00 0.00 H new ATOM 0 HE1 MET A 65 12.039 3.911 3.135 1.00 0.00 H new ATOM 0 HE2 MET A 65 10.899 4.431 4.399 1.00 0.00 H new ATOM 0 HE3 MET A 65 12.242 3.337 4.807 1.00 0.00 H new ATOM 1055 N VAL A 66 7.359 6.194 5.706 1.00 0.00 N ATOM 1056 CA VAL A 66 6.981 7.441 5.050 1.00 0.00 C ATOM 1057 C VAL A 66 7.389 8.664 5.871 1.00 0.00 C ATOM 1058 O VAL A 66 7.321 9.794 5.388 1.00 0.00 O ATOM 1059 CB VAL A 66 5.463 7.494 4.790 1.00 0.00 C ATOM 1060 CG1 VAL A 66 5.099 8.733 3.982 1.00 0.00 C ATOM 1061 CG2 VAL A 66 4.998 6.229 4.082 1.00 0.00 C ATOM 0 H VAL A 66 6.661 5.828 6.353 1.00 0.00 H new ATOM 0 HA VAL A 66 7.514 7.465 4.100 1.00 0.00 H new ATOM 0 HB VAL A 66 4.951 7.554 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.023 8.752 3.809 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.394 9.626 4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.620 8.709 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.924 6.284 3.907 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.517 6.134 3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.220 5.362 4.704 1.00 0.00 H new ATOM 1071 N GLU A 67 7.808 8.438 7.113 1.00 0.00 N ATOM 1072 CA GLU A 67 8.217 9.530 7.990 1.00 0.00 C ATOM 1073 C GLU A 67 9.727 9.767 7.934 1.00 0.00 C ATOM 1074 O GLU A 67 10.231 10.719 8.531 1.00 0.00 O ATOM 1075 CB GLU A 67 7.792 9.238 9.430 1.00 0.00 C ATOM 1076 CG GLU A 67 7.611 10.487 10.276 1.00 0.00 C ATOM 1077 CD GLU A 67 6.952 10.198 11.610 1.00 0.00 C ATOM 1078 OE1 GLU A 67 7.470 9.341 12.355 1.00 0.00 O ATOM 1079 OE2 GLU A 67 5.917 10.830 11.909 1.00 0.00 O ATOM 0 H GLU A 67 7.873 7.511 7.534 1.00 0.00 H new ATOM 0 HA GLU A 67 7.722 10.435 7.639 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.856 8.679 9.418 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.540 8.598 9.898 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.583 10.949 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.008 11.209 9.726 1.00 0.00 H new ATOM 1086 N ASN A 68 10.449 8.902 7.223 1.00 0.00 N ATOM 1087 CA ASN A 68 11.899 9.037 7.111 1.00 0.00 C ATOM 1088 C ASN A 68 12.315 9.426 5.695 1.00 0.00 C ATOM 1089 O ASN A 68 13.356 10.054 5.497 1.00 0.00 O ATOM 1090 CB ASN A 68 12.587 7.732 7.518 1.00 0.00 C ATOM 1091 CG ASN A 68 12.041 6.529 6.773 1.00 0.00 C ATOM 1092 OD1 ASN A 68 11.563 6.647 5.645 1.00 0.00 O ATOM 1093 ND2 ASN A 68 12.108 5.363 7.404 1.00 0.00 N ATOM 0 H ASN A 68 10.057 8.106 6.720 1.00 0.00 H new ATOM 0 HA ASN A 68 12.211 9.834 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 68 13.657 7.816 7.331 1.00 0.00 H new ATOM 0 HB3 ASN A 68 12.462 7.579 8.590 1.00 0.00 H new ATOM 0 HD21 ASN A 68 11.755 4.519 6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 68 12.513 5.312 8.339 1.00 0.00 H new ATOM 1100 N ALA A 69 11.502 9.050 4.713 1.00 0.00 N ATOM 1101 CA ALA A 69 11.799 9.362 3.319 1.00 0.00 C ATOM 1102 C ALA A 69 10.902 10.482 2.802 1.00 0.00 C ATOM 1103 O ALA A 69 9.715 10.540 3.123 1.00 0.00 O ATOM 1104 CB ALA A 69 11.645 8.119 2.457 1.00 0.00 C ATOM 0 H ALA A 69 10.636 8.531 4.855 1.00 0.00 H new ATOM 0 HA ALA A 69 12.832 9.706 3.262 1.00 0.00 H new ATOM 0 HB1 ALA A 69 11.869 8.366 1.419 1.00 0.00 H new ATOM 0 HB2 ALA A 69 12.333 7.348 2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 69 10.622 7.751 2.529 1.00 0.00 H new ATOM 1110 N LYS A 70 11.478 11.367 1.995 1.00 0.00 N ATOM 1111 CA LYS A 70 10.732 12.484 1.426 1.00 0.00 C ATOM 1112 C LYS A 70 10.284 12.166 0.002 1.00 0.00 C ATOM 1113 O LYS A 70 10.135 13.063 -0.828 1.00 0.00 O ATOM 1114 CB LYS A 70 11.589 13.753 1.435 1.00 0.00 C ATOM 1115 CG LYS A 70 10.833 14.995 1.880 1.00 0.00 C ATOM 1116 CD LYS A 70 11.742 15.968 2.615 1.00 0.00 C ATOM 1117 CE LYS A 70 11.375 16.076 4.086 1.00 0.00 C ATOM 1118 NZ LYS A 70 11.897 14.926 4.877 1.00 0.00 N ATOM 0 H LYS A 70 12.460 11.332 1.720 1.00 0.00 H new ATOM 0 HA LYS A 70 9.846 12.650 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 70 12.442 13.601 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.987 13.919 0.434 1.00 0.00 H new ATOM 0 HG2 LYS A 70 10.398 15.488 1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.007 14.706 2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 70 12.777 15.641 2.521 1.00 0.00 H new ATOM 0 HD3 LYS A 70 11.675 16.951 2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 70 11.773 17.006 4.492 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.291 16.123 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.625 15.039 5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.497 14.040 4.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.934 14.896 4.803 1.00 0.00 H new ATOM 1132 N LYS A 71 10.074 10.882 -0.272 1.00 0.00 N ATOM 1133 CA LYS A 71 9.646 10.439 -1.594 1.00 0.00 C ATOM 1134 C LYS A 71 8.712 9.243 -1.487 1.00 0.00 C ATOM 1135 O LYS A 71 9.159 8.107 -1.338 1.00 0.00 O ATOM 1136 CB LYS A 71 10.857 10.067 -2.451 1.00 0.00 C ATOM 1137 CG LYS A 71 11.909 9.266 -1.701 1.00 0.00 C ATOM 1138 CD LYS A 71 13.299 9.486 -2.281 1.00 0.00 C ATOM 1139 CE LYS A 71 14.214 10.184 -1.287 1.00 0.00 C ATOM 1140 NZ LYS A 71 13.735 11.553 -0.955 1.00 0.00 N ATOM 0 H LYS A 71 10.194 10.129 0.406 1.00 0.00 H new ATOM 0 HA LYS A 71 9.111 11.263 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.519 9.491 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.313 10.979 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 71 11.904 9.552 -0.649 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.659 8.206 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 71 13.732 8.527 -2.564 1.00 0.00 H new ATOM 0 HD3 LYS A 71 13.225 10.083 -3.190 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.278 9.591 -0.375 1.00 0.00 H new ATOM 0 HE3 LYS A 71 15.221 10.242 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.460 12.049 -0.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.553 12.079 -1.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.857 11.489 -0.401 1.00 0.00 H new ATOM 1154 N ILE A 72 7.414 9.505 -1.570 1.00 0.00 N ATOM 1155 CA ILE A 72 6.419 8.447 -1.486 1.00 0.00 C ATOM 1156 C ILE A 72 5.462 8.514 -2.669 1.00 0.00 C ATOM 1157 O ILE A 72 4.451 9.216 -2.624 1.00 0.00 O ATOM 1158 CB ILE A 72 5.613 8.533 -0.176 1.00 0.00 C ATOM 1159 CG1 ILE A 72 6.550 8.776 1.009 1.00 0.00 C ATOM 1160 CG2 ILE A 72 4.801 7.263 0.031 1.00 0.00 C ATOM 1161 CD1 ILE A 72 6.584 10.219 1.466 1.00 0.00 C ATOM 0 H ILE A 72 7.027 10.440 -1.695 1.00 0.00 H new ATOM 0 HA ILE A 72 6.955 7.498 -1.504 1.00 0.00 H new ATOM 0 HB ILE A 72 4.922 9.373 -0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.239 8.146 1.843 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.558 8.466 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.237 7.339 0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.111 7.133 -0.802 1.00 0.00 H new ATOM 0 HG23 ILE A 72 5.473 6.406 0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.268 10.318 2.309 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.924 10.852 0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.584 10.527 1.772 1.00 0.00 H new ATOM 1173 N GLU A 73 5.788 7.782 -3.728 1.00 0.00 N ATOM 1174 CA GLU A 73 4.955 7.764 -4.922 1.00 0.00 C ATOM 1175 C GLU A 73 3.988 6.587 -4.888 1.00 0.00 C ATOM 1176 O GLU A 73 4.300 5.531 -4.337 1.00 0.00 O ATOM 1177 CB GLU A 73 5.825 7.704 -6.179 1.00 0.00 C ATOM 1178 CG GLU A 73 5.500 8.787 -7.197 1.00 0.00 C ATOM 1179 CD GLU A 73 6.719 9.589 -7.607 1.00 0.00 C ATOM 1180 OE1 GLU A 73 7.226 10.367 -6.772 1.00 0.00 O ATOM 1181 OE2 GLU A 73 7.168 9.437 -8.763 1.00 0.00 O ATOM 0 H GLU A 73 6.621 7.195 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 73 4.372 8.685 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.872 7.791 -5.890 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.704 6.728 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.058 8.328 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.751 9.460 -6.779 1.00 0.00 H new ATOM 1188 N VAL A 74 2.809 6.779 -5.469 1.00 0.00 N ATOM 1189 CA VAL A 74 1.793 5.736 -5.493 1.00 0.00 C ATOM 1190 C VAL A 74 1.485 5.282 -6.916 1.00 0.00 C ATOM 1191 O VAL A 74 1.208 6.097 -7.795 1.00 0.00 O ATOM 1192 CB VAL A 74 0.487 6.216 -4.830 1.00 0.00 C ATOM 1193 CG1 VAL A 74 -0.517 5.077 -4.737 1.00 0.00 C ATOM 1194 CG2 VAL A 74 0.769 6.801 -3.454 1.00 0.00 C ATOM 0 H VAL A 74 2.534 7.647 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 74 2.199 4.894 -4.932 1.00 0.00 H new ATOM 0 HB VAL A 74 0.054 7.000 -5.451 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.432 5.436 -4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.744 4.709 -5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.095 4.268 -4.140 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.165 7.134 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.227 6.040 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 74 1.448 7.648 -3.551 1.00 0.00 H new ATOM 1204 N GLU A 75 1.524 3.972 -7.126 1.00 0.00 N ATOM 1205 CA GLU A 75 1.238 3.394 -8.433 1.00 0.00 C ATOM 1206 C GLU A 75 -0.233 3.006 -8.527 1.00 0.00 C ATOM 1207 O GLU A 75 -0.569 1.857 -8.815 1.00 0.00 O ATOM 1208 CB GLU A 75 2.124 2.169 -8.676 1.00 0.00 C ATOM 1209 CG GLU A 75 2.001 1.593 -10.076 1.00 0.00 C ATOM 1210 CD GLU A 75 3.070 0.559 -10.375 1.00 0.00 C ATOM 1211 OE1 GLU A 75 3.179 -0.421 -9.609 1.00 0.00 O ATOM 1212 OE2 GLU A 75 3.798 0.731 -11.376 1.00 0.00 O ATOM 0 H GLU A 75 1.752 3.288 -6.405 1.00 0.00 H new ATOM 0 HA GLU A 75 1.453 4.139 -9.199 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.164 2.442 -8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.867 1.396 -7.951 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.017 1.138 -10.193 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.067 2.401 -10.805 1.00 0.00 H new ATOM 1219 N PHE A 76 -1.109 3.969 -8.257 1.00 0.00 N ATOM 1220 CA PHE A 76 -2.546 3.722 -8.288 1.00 0.00 C ATOM 1221 C PHE A 76 -3.167 4.094 -9.637 1.00 0.00 C ATOM 1222 O PHE A 76 -2.540 4.750 -10.467 1.00 0.00 O ATOM 1223 CB PHE A 76 -3.226 4.469 -7.127 1.00 0.00 C ATOM 1224 CG PHE A 76 -3.925 5.749 -7.501 1.00 0.00 C ATOM 1225 CD1 PHE A 76 -3.350 6.653 -8.380 1.00 0.00 C ATOM 1226 CD2 PHE A 76 -5.164 6.046 -6.957 1.00 0.00 C ATOM 1227 CE1 PHE A 76 -4.000 7.828 -8.709 1.00 0.00 C ATOM 1228 CE2 PHE A 76 -5.817 7.215 -7.281 1.00 0.00 C ATOM 1229 CZ PHE A 76 -5.236 8.109 -8.158 1.00 0.00 C ATOM 0 H PHE A 76 -0.850 4.925 -8.015 1.00 0.00 H new ATOM 0 HA PHE A 76 -2.710 2.652 -8.162 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.952 3.801 -6.664 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.473 4.694 -6.372 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.384 6.437 -8.812 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -5.624 5.352 -6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.543 8.525 -9.395 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -6.783 7.432 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.746 9.026 -8.413 1.00 0.00 H new ATOM 1239 N ASP A 77 -4.411 3.658 -9.838 1.00 0.00 N ATOM 1240 CA ASP A 77 -5.141 3.926 -11.073 1.00 0.00 C ATOM 1241 C ASP A 77 -6.190 5.012 -10.864 1.00 0.00 C ATOM 1242 O ASP A 77 -6.567 5.315 -9.732 1.00 0.00 O ATOM 1243 CB ASP A 77 -5.816 2.648 -11.577 1.00 0.00 C ATOM 1244 CG ASP A 77 -5.884 2.587 -13.091 1.00 0.00 C ATOM 1245 OD1 ASP A 77 -6.656 3.371 -13.682 1.00 0.00 O ATOM 1246 OD2 ASP A 77 -5.165 1.756 -13.685 1.00 0.00 O ATOM 0 H ASP A 77 -4.936 3.113 -9.154 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.425 4.274 -11.817 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -5.269 1.781 -11.206 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -6.825 2.588 -11.168 1.00 0.00 H new ATOM 1251 N LYS A 78 -6.662 5.592 -11.964 1.00 0.00 N ATOM 1252 CA LYS A 78 -7.674 6.640 -11.899 1.00 0.00 C ATOM 1253 C LYS A 78 -9.077 6.055 -12.058 1.00 0.00 C ATOM 1254 O LYS A 78 -9.988 6.726 -12.544 1.00 0.00 O ATOM 1255 CB LYS A 78 -7.418 7.691 -12.983 1.00 0.00 C ATOM 1256 CG LYS A 78 -7.252 9.097 -12.435 1.00 0.00 C ATOM 1257 CD LYS A 78 -7.018 10.103 -13.550 1.00 0.00 C ATOM 1258 CE LYS A 78 -6.266 11.325 -13.050 1.00 0.00 C ATOM 1259 NZ LYS A 78 -7.132 12.208 -12.222 1.00 0.00 N ATOM 0 H LYS A 78 -6.360 5.354 -12.909 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.609 7.115 -10.920 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.521 7.418 -13.538 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.247 7.681 -13.691 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.142 9.377 -11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.413 9.121 -11.739 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.454 9.631 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.975 10.411 -13.970 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -5.405 11.006 -12.463 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.881 11.888 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.582 13.030 -11.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.940 12.533 -12.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.479 11.679 -11.397 1.00 0.00 H new ATOM 1273 N GLY A 79 -9.245 4.802 -11.642 1.00 0.00 N ATOM 1274 CA GLY A 79 -10.534 4.149 -11.739 1.00 0.00 C ATOM 1275 C GLY A 79 -10.588 2.903 -10.887 1.00 0.00 C ATOM 1276 O GLY A 79 -11.333 1.969 -11.180 1.00 0.00 O ATOM 0 H GLY A 79 -8.506 4.227 -11.238 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -11.317 4.839 -11.426 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -10.734 3.889 -12.778 1.00 0.00 H new ATOM 1280 N GLN A 80 -9.785 2.888 -9.829 1.00 0.00 N ATOM 1281 CA GLN A 80 -9.733 1.751 -8.932 1.00 0.00 C ATOM 1282 C GLN A 80 -10.912 1.756 -7.981 1.00 0.00 C ATOM 1283 O GLN A 80 -11.187 2.743 -7.299 1.00 0.00 O ATOM 1284 CB GLN A 80 -8.426 1.739 -8.137 1.00 0.00 C ATOM 1285 CG GLN A 80 -7.256 1.075 -8.855 1.00 0.00 C ATOM 1286 CD GLN A 80 -7.666 -0.077 -9.757 1.00 0.00 C ATOM 1287 OE1 GLN A 80 -7.588 -1.243 -9.368 1.00 0.00 O ATOM 1288 NE2 GLN A 80 -8.107 0.245 -10.968 1.00 0.00 N ATOM 0 H GLN A 80 -9.162 3.655 -9.575 1.00 0.00 H new ATOM 0 HA GLN A 80 -9.779 0.849 -9.543 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -8.152 2.766 -7.896 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.595 1.224 -7.191 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.735 1.824 -9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -6.547 0.709 -8.113 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.155 1.224 -11.249 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -8.397 -0.487 -11.616 1.00 0.00 H new ATOM 1297 N ARG A 81 -11.601 0.630 -7.958 1.00 0.00 N ATOM 1298 CA ARG A 81 -12.775 0.436 -7.106 1.00 0.00 C ATOM 1299 C ARG A 81 -12.577 1.065 -5.727 1.00 0.00 C ATOM 1300 O ARG A 81 -11.586 0.800 -5.048 1.00 0.00 O ATOM 1301 CB ARG A 81 -13.078 -1.056 -6.957 1.00 0.00 C ATOM 1302 CG ARG A 81 -14.123 -1.567 -7.936 1.00 0.00 C ATOM 1303 CD ARG A 81 -14.941 -2.702 -7.338 1.00 0.00 C ATOM 1304 NE ARG A 81 -16.297 -2.280 -6.998 1.00 0.00 N ATOM 1305 CZ ARG A 81 -17.100 -2.954 -6.179 1.00 0.00 C ATOM 1306 NH1 ARG A 81 -16.688 -4.082 -5.614 1.00 0.00 N ATOM 1307 NH2 ARG A 81 -18.319 -2.499 -5.923 1.00 0.00 N ATOM 0 H ARG A 81 -11.367 -0.182 -8.529 1.00 0.00 H new ATOM 0 HA ARG A 81 -13.619 0.932 -7.586 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -12.156 -1.621 -7.095 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -13.420 -1.249 -5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.786 -0.750 -8.221 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -13.632 -1.911 -8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.986 -3.529 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -14.443 -3.076 -6.443 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.649 -1.417 -7.413 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.751 -4.436 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -17.308 -4.594 -4.987 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.641 -1.632 -6.354 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -18.935 -3.016 -5.295 1.00 0.00 H new ATOM 1321 N THR A 82 -13.528 1.903 -5.329 1.00 0.00 N ATOM 1322 CA THR A 82 -13.467 2.580 -4.038 1.00 0.00 C ATOM 1323 C THR A 82 -14.517 2.023 -3.074 1.00 0.00 C ATOM 1324 O THR A 82 -15.368 1.225 -3.467 1.00 0.00 O ATOM 1325 CB THR A 82 -13.678 4.081 -4.222 1.00 0.00 C ATOM 1326 OG1 THR A 82 -14.958 4.344 -4.771 1.00 0.00 O ATOM 1327 CG2 THR A 82 -12.650 4.726 -5.124 1.00 0.00 C ATOM 0 H THR A 82 -14.353 2.130 -5.884 1.00 0.00 H new ATOM 0 HA THR A 82 -12.480 2.403 -3.610 1.00 0.00 H new ATOM 0 HB THR A 82 -13.580 4.510 -3.225 1.00 0.00 H new ATOM 0 HG1 THR A 82 -15.075 5.311 -4.880 1.00 0.00 H new ATOM 0 HG21 THR A 82 -12.860 5.792 -5.211 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.655 4.585 -4.701 1.00 0.00 H new ATOM 0 HG23 THR A 82 -12.693 4.266 -6.111 1.00 0.00 H new ATOM 1421 N TRP A 88 -8.678 3.612 -2.472 1.00 0.00 N ATOM 1422 CA TRP A 88 -7.819 3.517 -3.639 1.00 0.00 C ATOM 1423 C TRP A 88 -6.743 2.461 -3.437 1.00 0.00 C ATOM 1424 O TRP A 88 -6.210 2.307 -2.344 1.00 0.00 O ATOM 1425 CB TRP A 88 -7.147 4.867 -3.895 1.00 0.00 C ATOM 1426 CG TRP A 88 -8.064 5.918 -4.436 1.00 0.00 C ATOM 1427 CD1 TRP A 88 -8.609 6.961 -3.745 1.00 0.00 C ATOM 1428 CD2 TRP A 88 -8.530 6.039 -5.782 1.00 0.00 C ATOM 1429 NE1 TRP A 88 -9.399 7.716 -4.578 1.00 0.00 N ATOM 1430 CE2 TRP A 88 -9.363 7.172 -5.836 1.00 0.00 C ATOM 1431 CE3 TRP A 88 -8.324 5.298 -6.947 1.00 0.00 C ATOM 1432 CZ2 TRP A 88 -9.990 7.580 -7.010 1.00 0.00 C ATOM 1433 CZ3 TRP A 88 -8.945 5.703 -8.112 1.00 0.00 C ATOM 1434 CH2 TRP A 88 -9.770 6.834 -8.137 1.00 0.00 C ATOM 0 HA TRP A 88 -8.435 3.235 -4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -6.712 5.226 -2.962 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.324 4.723 -4.596 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -8.444 7.163 -2.697 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -9.926 8.546 -4.305 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -7.690 4.424 -6.937 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -10.626 8.452 -7.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -8.792 5.138 -9.019 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -10.242 7.124 -9.064 1.00 0.00 H new ATOM 1445 N LEU A 89 -6.402 1.748 -4.496 1.00 0.00 N ATOM 1446 CA LEU A 89 -5.355 0.737 -4.397 1.00 0.00 C ATOM 1447 C LEU A 89 -3.995 1.422 -4.379 1.00 0.00 C ATOM 1448 O LEU A 89 -3.868 2.565 -4.820 1.00 0.00 O ATOM 1449 CB LEU A 89 -5.450 -0.264 -5.559 1.00 0.00 C ATOM 1450 CG LEU A 89 -4.579 0.023 -6.794 1.00 0.00 C ATOM 1451 CD1 LEU A 89 -4.632 1.492 -7.180 1.00 0.00 C ATOM 1452 CD2 LEU A 89 -3.141 -0.416 -6.553 1.00 0.00 C ATOM 0 H LEU A 89 -6.823 1.844 -5.420 1.00 0.00 H new ATOM 0 HA LEU A 89 -5.484 0.177 -3.471 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.187 -1.251 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.490 -0.313 -5.881 1.00 0.00 H new ATOM 0 HG LEU A 89 -4.983 -0.555 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -4.006 1.661 -8.056 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.660 1.771 -7.410 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.268 2.099 -6.351 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.542 -0.204 -7.439 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.733 0.127 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.117 -1.486 -6.347 1.00 0.00 H new ATOM 1464 N ALA A 90 -2.977 0.743 -3.862 1.00 0.00 N ATOM 1465 CA ALA A 90 -1.648 1.340 -3.806 1.00 0.00 C ATOM 1466 C ALA A 90 -0.625 0.410 -3.174 1.00 0.00 C ATOM 1467 O ALA A 90 -0.972 -0.530 -2.459 1.00 0.00 O ATOM 1468 CB ALA A 90 -1.694 2.657 -3.045 1.00 0.00 C ATOM 0 H ALA A 90 -3.043 -0.202 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.333 1.522 -4.833 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.695 3.092 -3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.373 3.345 -3.549 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -2.047 2.478 -2.029 1.00 0.00 H new ATOM 1474 N TYR A 91 0.641 0.699 -3.442 1.00 0.00 N ATOM 1475 CA TYR A 91 1.743 -0.083 -2.906 1.00 0.00 C ATOM 1476 C TYR A 91 2.548 0.760 -1.921 1.00 0.00 C ATOM 1477 O TYR A 91 3.031 0.260 -0.906 1.00 0.00 O ATOM 1478 CB TYR A 91 2.640 -0.575 -4.043 1.00 0.00 C ATOM 1479 CG TYR A 91 2.034 -1.702 -4.852 1.00 0.00 C ATOM 1480 CD1 TYR A 91 0.754 -1.596 -5.392 1.00 0.00 C ATOM 1481 CD2 TYR A 91 2.745 -2.873 -5.079 1.00 0.00 C ATOM 1482 CE1 TYR A 91 0.205 -2.627 -6.130 1.00 0.00 C ATOM 1483 CE2 TYR A 91 2.202 -3.908 -5.816 1.00 0.00 C ATOM 1484 CZ TYR A 91 0.933 -3.779 -6.340 1.00 0.00 C ATOM 1485 OH TYR A 91 0.389 -4.808 -7.075 1.00 0.00 O ATOM 0 H TYR A 91 0.931 1.478 -4.034 1.00 0.00 H new ATOM 0 HA TYR A 91 1.342 -0.949 -2.380 1.00 0.00 H new ATOM 0 HB2 TYR A 91 2.860 0.260 -4.708 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.590 -0.909 -3.626 1.00 0.00 H new ATOM 0 HD1 TYR A 91 0.182 -0.694 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.740 -2.977 -4.672 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -0.789 -2.531 -6.540 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.768 -4.813 -5.981 1.00 0.00 H new ATOM 0 HH TYR A 91 1.031 -5.546 -7.130 1.00 0.00 H new ATOM 1495 N ILE A 92 2.668 2.051 -2.228 1.00 0.00 N ATOM 1496 CA ILE A 92 3.392 2.986 -1.374 1.00 0.00 C ATOM 1497 C ILE A 92 4.850 2.578 -1.196 1.00 0.00 C ATOM 1498 O ILE A 92 5.146 1.502 -0.677 1.00 0.00 O ATOM 1499 CB ILE A 92 2.732 3.100 0.014 1.00 0.00 C ATOM 1500 CG1 ILE A 92 1.223 3.321 -0.127 1.00 0.00 C ATOM 1501 CG2 ILE A 92 3.366 4.229 0.812 1.00 0.00 C ATOM 1502 CD1 ILE A 92 0.392 2.352 0.684 1.00 0.00 C ATOM 0 H ILE A 92 2.270 2.473 -3.067 1.00 0.00 H new ATOM 0 HA ILE A 92 3.355 3.954 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 92 2.893 2.166 0.552 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.983 4.339 0.180 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.948 3.232 -1.178 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.889 4.296 1.790 1.00 0.00 H new ATOM 0 HG22 ILE A 92 4.430 4.031 0.941 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.234 5.170 0.278 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.666 2.568 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.603 1.333 0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.639 2.456 1.740 1.00 0.00 H new ATOM 1514 N TYR A 93 5.760 3.451 -1.617 1.00 0.00 N ATOM 1515 CA TYR A 93 7.188 3.184 -1.487 1.00 0.00 C ATOM 1516 C TYR A 93 7.953 4.449 -1.118 1.00 0.00 C ATOM 1517 O TYR A 93 7.888 5.457 -1.821 1.00 0.00 O ATOM 1518 CB TYR A 93 7.759 2.594 -2.778 1.00 0.00 C ATOM 1519 CG TYR A 93 7.208 3.201 -4.047 1.00 0.00 C ATOM 1520 CD1 TYR A 93 7.657 4.432 -4.508 1.00 0.00 C ATOM 1521 CD2 TYR A 93 6.251 2.527 -4.794 1.00 0.00 C ATOM 1522 CE1 TYR A 93 7.164 4.974 -5.680 1.00 0.00 C ATOM 1523 CE2 TYR A 93 5.753 3.064 -5.963 1.00 0.00 C ATOM 1524 CZ TYR A 93 6.212 4.285 -6.404 1.00 0.00 C ATOM 1525 OH TYR A 93 5.721 4.817 -7.573 1.00 0.00 O ATOM 0 H TYR A 93 5.535 4.347 -2.050 1.00 0.00 H new ATOM 0 HA TYR A 93 7.308 2.455 -0.685 1.00 0.00 H new ATOM 0 HB2 TYR A 93 8.842 2.720 -2.771 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.563 1.522 -2.789 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.402 4.973 -3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.891 1.567 -4.454 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.522 5.932 -6.028 1.00 0.00 H new ATOM 0 HE2 TYR A 93 5.006 2.529 -6.530 1.00 0.00 H new ATOM 0 HH TYR A 93 5.060 4.205 -7.959 1.00 0.00 H new ATOM 1535 N ALA A 94 8.681 4.384 -0.009 1.00 0.00 N ATOM 1536 CA ALA A 94 9.467 5.517 0.455 1.00 0.00 C ATOM 1537 C ALA A 94 10.930 5.356 0.057 1.00 0.00 C ATOM 1538 O ALA A 94 11.696 4.677 0.740 1.00 0.00 O ATOM 1539 CB ALA A 94 9.336 5.669 1.964 1.00 0.00 C ATOM 0 H ALA A 94 8.742 3.557 0.585 1.00 0.00 H new ATOM 0 HA ALA A 94 9.083 6.421 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.929 6.521 2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.290 5.832 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 94 9.695 4.763 2.453 1.00 0.00 H new ATOM 1545 N ASP A 95 11.306 5.982 -1.059 1.00 0.00 N ATOM 1546 CA ASP A 95 12.675 5.915 -1.574 1.00 0.00 C ATOM 1547 C ASP A 95 12.875 4.670 -2.437 1.00 0.00 C ATOM 1548 O ASP A 95 13.773 3.864 -2.191 1.00 0.00 O ATOM 1549 CB ASP A 95 13.698 5.934 -0.432 1.00 0.00 C ATOM 1550 CG ASP A 95 14.908 6.788 -0.753 1.00 0.00 C ATOM 1551 OD1 ASP A 95 15.297 6.846 -1.938 1.00 0.00 O ATOM 1552 OD2 ASP A 95 15.468 7.400 0.181 1.00 0.00 O ATOM 0 H ASP A 95 10.675 6.546 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 95 12.835 6.797 -2.194 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.221 6.310 0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 95 14.022 4.915 -0.221 1.00 0.00 H new ATOM 1557 N GLY A 96 12.037 4.533 -3.460 1.00 0.00 N ATOM 1558 CA GLY A 96 12.134 3.399 -4.364 1.00 0.00 C ATOM 1559 C GLY A 96 12.029 2.057 -3.663 1.00 0.00 C ATOM 1560 O GLY A 96 12.566 1.059 -4.144 1.00 0.00 O ATOM 0 H GLY A 96 11.289 5.190 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 96 11.345 3.472 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.084 3.449 -4.896 1.00 0.00 H new ATOM 1564 N LYS A 97 11.333 2.023 -2.532 1.00 0.00 N ATOM 1565 CA LYS A 97 11.163 0.782 -1.782 1.00 0.00 C ATOM 1566 C LYS A 97 9.729 0.635 -1.287 1.00 0.00 C ATOM 1567 O LYS A 97 9.275 1.395 -0.431 1.00 0.00 O ATOM 1568 CB LYS A 97 12.133 0.731 -0.601 1.00 0.00 C ATOM 1569 CG LYS A 97 12.047 1.945 0.306 1.00 0.00 C ATOM 1570 CD LYS A 97 13.389 2.250 0.955 1.00 0.00 C ATOM 1571 CE LYS A 97 13.539 1.539 2.290 1.00 0.00 C ATOM 1572 NZ LYS A 97 14.617 0.513 2.256 1.00 0.00 N ATOM 0 H LYS A 97 10.879 2.836 -2.115 1.00 0.00 H new ATOM 0 HA LYS A 97 11.382 -0.048 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.932 -0.166 -0.015 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.151 0.642 -0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.715 2.809 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 97 11.299 1.771 1.079 1.00 0.00 H new ATOM 0 HD2 LYS A 97 14.195 1.945 0.287 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.487 3.326 1.102 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.759 2.270 3.068 1.00 0.00 H new ATOM 0 HE3 LYS A 97 12.595 1.064 2.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 14.687 0.052 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 14.395 -0.199 1.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.523 0.969 2.027 1.00 0.00 H new ATOM 1586 N MET A 98 9.020 -0.349 -1.830 1.00 0.00 N ATOM 1587 CA MET A 98 7.636 -0.600 -1.446 1.00 0.00 C ATOM 1588 C MET A 98 7.562 -1.338 -0.113 1.00 0.00 C ATOM 1589 O MET A 98 8.308 -2.287 0.125 1.00 0.00 O ATOM 1590 CB MET A 98 6.926 -1.411 -2.531 1.00 0.00 C ATOM 1591 CG MET A 98 7.091 -0.834 -3.929 1.00 0.00 C ATOM 1592 SD MET A 98 7.543 -2.082 -5.150 1.00 0.00 S ATOM 1593 CE MET A 98 8.574 -1.120 -6.254 1.00 0.00 C ATOM 0 H MET A 98 9.382 -0.987 -2.539 1.00 0.00 H new ATOM 0 HA MET A 98 7.137 0.362 -1.333 1.00 0.00 H new ATOM 0 HB2 MET A 98 7.310 -2.431 -2.520 1.00 0.00 H new ATOM 0 HB3 MET A 98 5.864 -1.468 -2.294 1.00 0.00 H new ATOM 0 HG2 MET A 98 6.160 -0.356 -4.232 1.00 0.00 H new ATOM 0 HG3 MET A 98 7.856 -0.058 -3.909 1.00 0.00 H new ATOM 0 HE1 MET A 98 8.931 -1.756 -7.064 1.00 0.00 H new ATOM 0 HE2 MET A 98 7.993 -0.296 -6.668 1.00 0.00 H new ATOM 0 HE3 MET A 98 9.426 -0.722 -5.702 1.00 0.00 H new ATOM 1603 N VAL A 99 6.654 -0.895 0.751 1.00 0.00 N ATOM 1604 CA VAL A 99 6.479 -1.512 2.060 1.00 0.00 C ATOM 1605 C VAL A 99 6.032 -2.964 1.924 1.00 0.00 C ATOM 1606 O VAL A 99 6.355 -3.803 2.765 1.00 0.00 O ATOM 1607 CB VAL A 99 5.449 -0.746 2.911 1.00 0.00 C ATOM 1608 CG1 VAL A 99 6.056 0.535 3.459 1.00 0.00 C ATOM 1609 CG2 VAL A 99 4.196 -0.448 2.099 1.00 0.00 C ATOM 0 H VAL A 99 6.028 -0.111 0.568 1.00 0.00 H new ATOM 0 HA VAL A 99 7.447 -1.476 2.560 1.00 0.00 H new ATOM 0 HB VAL A 99 5.164 -1.375 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 99 5.313 1.063 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 99 6.918 0.292 4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 99 6.373 1.170 2.632 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.481 0.094 2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 99 4.459 0.160 1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.749 -1.384 1.763 1.00 0.00 H new