USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 570 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 58 GLN : amide:sc= 0.34 K(o=0.78,f=-1.5) USER MOD Set 1.2: A 62 TYR OH : rot 87:sc= 0.435 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 131:sc= 0.582 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= -0.197 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.208 USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 4:sc= 2.7 USER MOD Single : A 43 SER OG : rot 23:sc= 0.334! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.017 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.115) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 66.065 -2.429 13.559 1.00 0.00 N ATOM 138 CA LEU A 8 66.994 -1.337 13.116 1.00 0.00 C ATOM 139 C LEU A 8 68.304 -1.927 12.580 1.00 0.00 C ATOM 140 O LEU A 8 68.781 -2.936 13.064 1.00 0.00 O ATOM 141 CB LEU A 8 67.272 -0.506 14.374 1.00 0.00 C ATOM 142 CG LEU A 8 65.975 0.152 14.858 1.00 0.00 C ATOM 143 CD1 LEU A 8 66.192 0.746 16.250 1.00 0.00 C ATOM 144 CD2 LEU A 8 65.576 1.266 13.887 1.00 0.00 C ATOM 0 HA LEU A 8 66.558 -0.740 12.315 1.00 0.00 H new ATOM 0 HB2 LEU A 8 67.682 -1.142 15.158 1.00 0.00 H new ATOM 0 HB3 LEU A 8 68.020 0.257 14.159 1.00 0.00 H new ATOM 0 HG LEU A 8 65.183 -0.596 14.901 1.00 0.00 H new ATOM 0 HD11 LEU A 8 65.269 1.214 16.594 1.00 0.00 H new ATOM 0 HD12 LEU A 8 66.478 -0.046 16.943 1.00 0.00 H new ATOM 0 HD13 LEU A 8 66.984 1.494 16.207 1.00 0.00 H new ATOM 0 HD21 LEU A 8 64.654 1.735 14.230 1.00 0.00 H new ATOM 0 HD22 LEU A 8 66.369 2.013 13.845 1.00 0.00 H new ATOM 0 HD23 LEU A 8 65.421 0.845 12.894 1.00 0.00 H new ATOM 156 N GLY A 9 68.884 -1.302 11.583 1.00 0.00 N ATOM 157 CA GLY A 9 70.186 -1.793 11.032 1.00 0.00 C ATOM 158 C GLY A 9 69.983 -2.953 10.043 1.00 0.00 C ATOM 159 O GLY A 9 70.937 -3.452 9.474 1.00 0.00 O ATOM 0 H GLY A 9 68.510 -0.470 11.126 1.00 0.00 H new ATOM 0 HA2 GLY A 9 70.701 -0.974 10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 9 70.827 -2.120 11.850 1.00 0.00 H new ATOM 163 N SER A 10 68.759 -3.390 9.829 1.00 0.00 N ATOM 164 CA SER A 10 68.514 -4.543 8.898 1.00 0.00 C ATOM 165 C SER A 10 68.995 -4.204 7.482 1.00 0.00 C ATOM 166 O SER A 10 69.079 -3.048 7.111 1.00 0.00 O ATOM 167 CB SER A 10 66.999 -4.756 8.904 1.00 0.00 C ATOM 168 OG SER A 10 66.601 -5.253 10.175 1.00 0.00 O ATOM 0 H SER A 10 67.921 -2.998 10.259 1.00 0.00 H new ATOM 0 HA SER A 10 69.054 -5.436 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.487 -3.818 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.716 -5.459 8.121 1.00 0.00 H new ATOM 0 HG SER A 10 65.631 -5.389 10.184 1.00 0.00 H new ATOM 174 N LYS A 11 69.311 -5.207 6.697 1.00 0.00 N ATOM 175 CA LYS A 11 69.768 -4.955 5.293 1.00 0.00 C ATOM 176 C LYS A 11 68.561 -4.744 4.368 1.00 0.00 C ATOM 177 O LYS A 11 67.695 -5.595 4.254 1.00 0.00 O ATOM 178 CB LYS A 11 70.570 -6.208 4.890 1.00 0.00 C ATOM 179 CG LYS A 11 69.676 -7.463 4.912 1.00 0.00 C ATOM 180 CD LYS A 11 70.404 -8.618 5.612 1.00 0.00 C ATOM 181 CE LYS A 11 70.130 -8.565 7.119 1.00 0.00 C ATOM 182 NZ LYS A 11 70.174 -9.984 7.569 1.00 0.00 N ATOM 0 H LYS A 11 69.272 -6.190 6.968 1.00 0.00 H new ATOM 0 HA LYS A 11 70.377 -4.055 5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 11 70.988 -6.072 3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.409 -6.342 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 11 68.742 -7.245 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.416 -7.751 3.894 1.00 0.00 H new ATOM 0 HD2 LYS A 11 70.068 -9.572 5.205 1.00 0.00 H new ATOM 0 HD3 LYS A 11 71.476 -8.551 5.425 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.878 -7.964 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 11 69.160 -8.115 7.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 69.995 -10.029 8.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 69.446 -10.531 7.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 71.112 -10.384 7.363 1.00 0.00 H new ATOM 196 N ILE A 12 68.502 -3.612 3.706 1.00 0.00 N ATOM 197 CA ILE A 12 67.344 -3.321 2.805 1.00 0.00 C ATOM 198 C ILE A 12 67.835 -3.107 1.367 1.00 0.00 C ATOM 199 O ILE A 12 68.899 -2.557 1.139 1.00 0.00 O ATOM 200 CB ILE A 12 66.698 -2.043 3.365 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.217 -2.298 4.800 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.497 -1.642 2.497 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.787 -0.978 5.444 1.00 0.00 C ATOM 0 H ILE A 12 69.208 -2.877 3.752 1.00 0.00 H new ATOM 0 HA ILE A 12 66.630 -4.144 2.774 1.00 0.00 H new ATOM 0 HB ILE A 12 67.435 -1.240 3.359 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.383 -2.999 4.795 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.015 -2.756 5.385 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.044 -0.736 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.831 -1.458 1.476 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.762 -2.447 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.446 -1.164 6.463 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.633 -0.291 5.464 1.00 0.00 H new ATOM 0 HD13 ILE A 12 64.975 -0.538 4.865 1.00 0.00 H new ATOM 215 N SER A 13 67.056 -3.543 0.407 1.00 0.00 N ATOM 216 CA SER A 13 67.391 -3.301 -1.027 1.00 0.00 C ATOM 217 C SER A 13 66.518 -2.165 -1.568 1.00 0.00 C ATOM 218 O SER A 13 65.334 -2.105 -1.299 1.00 0.00 O ATOM 219 CB SER A 13 67.073 -4.614 -1.738 1.00 0.00 C ATOM 220 OG SER A 13 67.470 -4.519 -3.100 1.00 0.00 O ATOM 0 H SER A 13 66.192 -4.063 0.561 1.00 0.00 H new ATOM 0 HA SER A 13 68.431 -3.010 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.594 -5.439 -1.252 1.00 0.00 H new ATOM 0 HB3 SER A 13 66.006 -4.827 -1.672 1.00 0.00 H new ATOM 0 HG SER A 13 67.269 -5.361 -3.559 1.00 0.00 H new ATOM 226 N LEU A 14 67.098 -1.272 -2.326 1.00 0.00 N ATOM 227 CA LEU A 14 66.386 -0.013 -2.701 1.00 0.00 C ATOM 228 C LEU A 14 66.536 0.252 -4.203 1.00 0.00 C ATOM 229 O LEU A 14 67.633 0.302 -4.721 1.00 0.00 O ATOM 230 CB LEU A 14 67.095 1.067 -1.881 1.00 0.00 C ATOM 231 CG LEU A 14 66.217 2.314 -1.778 1.00 0.00 C ATOM 232 CD1 LEU A 14 64.998 2.017 -0.902 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.029 3.446 -1.146 1.00 0.00 C ATOM 0 H LEU A 14 68.041 -1.361 -2.704 1.00 0.00 H new ATOM 0 HA LEU A 14 65.315 -0.050 -2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.319 0.688 -0.884 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.047 1.321 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 14 65.883 2.607 -2.773 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.375 2.909 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.421 1.205 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.329 1.725 0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.409 4.339 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.358 3.146 -0.151 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.899 3.660 -1.767 1.00 0.00 H new ATOM 245 N ILE A 15 65.437 0.424 -4.902 1.00 0.00 N ATOM 246 CA ILE A 15 65.506 0.654 -6.381 1.00 0.00 C ATOM 247 C ILE A 15 65.196 2.127 -6.690 1.00 0.00 C ATOM 248 O ILE A 15 64.110 2.611 -6.406 1.00 0.00 O ATOM 249 CB ILE A 15 64.435 -0.269 -6.988 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.744 -1.730 -6.631 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.426 -0.121 -8.516 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.537 -2.608 -6.971 1.00 0.00 C ATOM 0 H ILE A 15 64.495 0.415 -4.511 1.00 0.00 H new ATOM 0 HA ILE A 15 66.493 0.439 -6.790 1.00 0.00 H new ATOM 0 HB ILE A 15 63.461 0.010 -6.586 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.621 -2.072 -7.181 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.980 -1.814 -5.570 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.666 -0.777 -8.941 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.202 0.913 -8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.404 -0.394 -8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.758 -3.645 -6.717 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.671 -2.272 -6.402 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.322 -2.534 -8.037 1.00 0.00 H new ATOM 264 N SER A 16 66.148 2.829 -7.264 1.00 0.00 N ATOM 265 CA SER A 16 65.961 4.286 -7.552 1.00 0.00 C ATOM 266 C SER A 16 65.432 4.508 -8.976 1.00 0.00 C ATOM 267 O SER A 16 65.605 3.673 -9.850 1.00 0.00 O ATOM 268 CB SER A 16 67.358 4.892 -7.413 1.00 0.00 C ATOM 269 OG SER A 16 67.843 4.657 -6.099 1.00 0.00 O ATOM 0 H SER A 16 67.052 2.450 -7.546 1.00 0.00 H new ATOM 0 HA SER A 16 65.234 4.739 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.033 4.451 -8.146 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.324 5.963 -7.614 1.00 0.00 H new ATOM 0 HG SER A 16 68.750 4.288 -6.146 1.00 0.00 H new ATOM 275 N LYS A 17 64.808 5.647 -9.209 1.00 0.00 N ATOM 276 CA LYS A 17 64.086 5.911 -10.505 1.00 0.00 C ATOM 277 C LYS A 17 64.979 5.691 -11.740 1.00 0.00 C ATOM 278 O LYS A 17 64.485 5.614 -12.850 1.00 0.00 O ATOM 279 CB LYS A 17 63.666 7.383 -10.428 1.00 0.00 C ATOM 280 CG LYS A 17 62.690 7.701 -11.564 1.00 0.00 C ATOM 281 CD LYS A 17 62.323 9.185 -11.520 1.00 0.00 C ATOM 282 CE LYS A 17 61.226 9.472 -12.549 1.00 0.00 C ATOM 283 NZ LYS A 17 61.342 10.929 -12.838 1.00 0.00 N ATOM 0 H LYS A 17 64.768 6.418 -8.543 1.00 0.00 H new ATOM 0 HA LYS A 17 63.247 5.225 -10.621 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.198 7.588 -9.465 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.543 8.026 -10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.142 7.455 -12.525 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.792 7.090 -11.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.979 9.456 -10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.202 9.794 -11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.366 8.878 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.240 9.225 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.622 11.203 -13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 61.197 11.469 -11.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 62.288 11.133 -13.218 1.00 0.00 H new ATOM 297 N ALA A 18 66.275 5.588 -11.565 1.00 0.00 N ATOM 298 CA ALA A 18 67.182 5.379 -12.736 1.00 0.00 C ATOM 299 C ALA A 18 67.377 3.881 -13.002 1.00 0.00 C ATOM 300 O ALA A 18 68.337 3.482 -13.633 1.00 0.00 O ATOM 301 CB ALA A 18 68.508 6.025 -12.328 1.00 0.00 C ATOM 0 H ALA A 18 66.743 5.640 -10.660 1.00 0.00 H new ATOM 0 HA ALA A 18 66.778 5.812 -13.651 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.231 5.914 -13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.350 7.084 -12.125 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.890 5.537 -11.431 1.00 0.00 H new ATOM 307 N ASP A 19 66.471 3.047 -12.523 1.00 0.00 N ATOM 308 CA ASP A 19 66.641 1.559 -12.630 1.00 0.00 C ATOM 309 C ASP A 19 67.989 1.145 -12.035 1.00 0.00 C ATOM 310 O ASP A 19 68.632 0.221 -12.501 1.00 0.00 O ATOM 311 CB ASP A 19 66.569 1.222 -14.126 1.00 0.00 C ATOM 312 CG ASP A 19 65.142 1.446 -14.638 1.00 0.00 C ATOM 313 OD1 ASP A 19 64.512 2.393 -14.194 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.703 0.667 -15.468 1.00 0.00 O ATOM 0 H ASP A 19 65.613 3.342 -12.058 1.00 0.00 H new ATOM 0 HA ASP A 19 65.869 1.022 -12.079 1.00 0.00 H new ATOM 0 HB2 ASP A 19 67.268 1.846 -14.683 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.866 0.186 -14.290 1.00 0.00 H new ATOM 319 N ILE A 20 68.412 1.836 -11.004 1.00 0.00 N ATOM 320 CA ILE A 20 69.700 1.484 -10.332 1.00 0.00 C ATOM 321 C ILE A 20 69.397 0.738 -9.034 1.00 0.00 C ATOM 322 O ILE A 20 68.462 1.071 -8.330 1.00 0.00 O ATOM 323 CB ILE A 20 70.399 2.818 -10.026 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.563 3.637 -11.315 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.783 2.539 -9.424 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.139 5.019 -10.988 1.00 0.00 C ATOM 0 H ILE A 20 67.918 2.631 -10.599 1.00 0.00 H new ATOM 0 HA ILE A 20 70.328 0.846 -10.954 1.00 0.00 H new ATOM 0 HB ILE A 20 69.793 3.384 -9.319 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.223 3.113 -12.007 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.599 3.744 -11.813 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.282 3.483 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.671 1.967 -8.503 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.381 1.969 -10.135 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.252 5.593 -11.908 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.463 5.544 -10.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.112 4.904 -10.510 1.00 0.00 H new ATOM 338 N ARG A 21 70.177 -0.261 -8.713 1.00 0.00 N ATOM 339 CA ARG A 21 69.933 -1.021 -7.453 1.00 0.00 C ATOM 340 C ARG A 21 70.972 -0.630 -6.399 1.00 0.00 C ATOM 341 O ARG A 21 72.163 -0.802 -6.594 1.00 0.00 O ATOM 342 CB ARG A 21 70.079 -2.493 -7.839 1.00 0.00 C ATOM 343 CG ARG A 21 69.633 -3.377 -6.672 1.00 0.00 C ATOM 344 CD ARG A 21 69.851 -4.850 -7.034 1.00 0.00 C ATOM 345 NE ARG A 21 69.271 -5.631 -5.893 1.00 0.00 N ATOM 346 CZ ARG A 21 69.568 -6.904 -5.710 1.00 0.00 C ATOM 347 NH1 ARG A 21 70.376 -7.548 -6.521 1.00 0.00 N ATOM 348 NH2 ARG A 21 69.041 -7.540 -4.701 1.00 0.00 N ATOM 0 H ARG A 21 70.970 -0.582 -9.268 1.00 0.00 H new ATOM 0 HA ARG A 21 68.952 -0.814 -7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.478 -2.709 -8.722 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.115 -2.710 -8.098 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.198 -3.125 -5.774 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.581 -3.198 -6.448 1.00 0.00 H new ATOM 0 HD2 ARG A 21 69.357 -5.101 -7.973 1.00 0.00 H new ATOM 0 HD3 ARG A 21 70.911 -5.070 -7.162 1.00 0.00 H new ATOM 0 HE ARG A 21 68.634 -5.169 -5.245 1.00 0.00 H new ATOM 0 HH11 ARG A 21 70.792 -7.064 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 21 70.588 -8.532 -6.355 1.00 0.00 H new ATOM 0 HH21 ARG A 21 68.408 -7.054 -4.066 1.00 0.00 H new ATOM 0 HH22 ARG A 21 69.261 -8.524 -4.547 1.00 0.00 H new ATOM 362 N TYR A 22 70.520 -0.107 -5.289 1.00 0.00 N ATOM 363 CA TYR A 22 71.436 0.185 -4.149 1.00 0.00 C ATOM 364 C TYR A 22 71.066 -0.714 -2.969 1.00 0.00 C ATOM 365 O TYR A 22 69.915 -1.060 -2.793 1.00 0.00 O ATOM 366 CB TYR A 22 71.181 1.649 -3.786 1.00 0.00 C ATOM 367 CG TYR A 22 71.552 2.636 -4.872 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.859 3.178 -4.914 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.590 3.031 -5.837 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.207 4.113 -5.919 1.00 0.00 C ATOM 371 CE2 TYR A 22 70.939 3.966 -6.845 1.00 0.00 C ATOM 372 CZ TYR A 22 72.248 4.506 -6.884 1.00 0.00 C ATOM 373 OH TYR A 22 72.588 5.417 -7.864 1.00 0.00 O ATOM 0 H TYR A 22 69.543 0.133 -5.123 1.00 0.00 H new ATOM 0 HA TYR A 22 72.482 0.008 -4.399 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.125 1.772 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.744 1.891 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.591 2.878 -4.179 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.592 2.620 -5.804 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.204 4.527 -5.950 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.208 4.266 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 22 71.815 5.576 -8.445 1.00 0.00 H new ATOM 383 N GLU A 23 72.024 -1.093 -2.167 1.00 0.00 N ATOM 384 CA GLU A 23 71.703 -1.883 -0.938 1.00 0.00 C ATOM 385 C GLU A 23 72.555 -1.386 0.227 1.00 0.00 C ATOM 386 O GLU A 23 73.720 -1.085 0.056 1.00 0.00 O ATOM 387 CB GLU A 23 72.065 -3.326 -1.291 1.00 0.00 C ATOM 388 CG GLU A 23 71.590 -4.263 -0.176 1.00 0.00 C ATOM 389 CD GLU A 23 72.077 -5.686 -0.459 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.228 -5.835 -0.838 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.291 -6.604 -0.291 1.00 0.00 O ATOM 0 H GLU A 23 73.014 -0.891 -2.307 1.00 0.00 H new ATOM 0 HA GLU A 23 70.659 -1.790 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.602 -3.607 -2.237 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.143 -3.419 -1.423 1.00 0.00 H new ATOM 0 HG2 GLU A 23 71.971 -3.922 0.786 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.502 -4.246 -0.112 1.00 0.00 H new ATOM 398 N GLY A 24 71.991 -1.305 1.406 1.00 0.00 N ATOM 399 CA GLY A 24 72.757 -0.738 2.559 1.00 0.00 C ATOM 400 C GLY A 24 72.017 -1.001 3.871 1.00 0.00 C ATOM 401 O GLY A 24 70.902 -1.488 3.879 1.00 0.00 O ATOM 0 H GLY A 24 71.040 -1.605 1.620 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.751 -1.184 2.599 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.895 0.334 2.420 1.00 0.00 H new ATOM 405 N ARG A 25 72.641 -0.681 4.982 1.00 0.00 N ATOM 406 CA ARG A 25 71.988 -0.902 6.310 1.00 0.00 C ATOM 407 C ARG A 25 71.105 0.293 6.682 1.00 0.00 C ATOM 408 O ARG A 25 71.495 1.435 6.518 1.00 0.00 O ATOM 409 CB ARG A 25 73.142 -1.043 7.306 1.00 0.00 C ATOM 410 CG ARG A 25 73.828 -2.396 7.100 1.00 0.00 C ATOM 411 CD ARG A 25 74.740 -2.696 8.295 1.00 0.00 C ATOM 412 NE ARG A 25 75.990 -1.907 8.051 1.00 0.00 N ATOM 413 CZ ARG A 25 76.844 -1.654 9.025 1.00 0.00 C ATOM 414 NH1 ARG A 25 76.644 -2.087 10.250 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.917 -0.957 8.765 1.00 0.00 N ATOM 0 H ARG A 25 73.576 -0.276 5.024 1.00 0.00 H new ATOM 0 HA ARG A 25 71.343 -1.781 6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.859 -0.234 7.166 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.768 -0.964 8.327 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.080 -3.182 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.411 -2.383 6.179 1.00 0.00 H new ATOM 0 HD2 ARG A 25 74.268 -2.403 9.233 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.956 -3.762 8.366 1.00 0.00 H new ATOM 0 HE ARG A 25 76.185 -1.558 7.113 1.00 0.00 H new ATOM 0 HH11 ARG A 25 75.811 -2.634 10.468 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.322 -1.876 10.983 1.00 0.00 H new ATOM 0 HH21 ARG A 25 78.087 -0.616 7.819 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.586 -0.754 9.508 1.00 0.00 H new ATOM 429 N LEU A 26 69.919 0.036 7.182 1.00 0.00 N ATOM 430 CA LEU A 26 69.026 1.156 7.632 1.00 0.00 C ATOM 431 C LEU A 26 69.631 1.878 8.842 1.00 0.00 C ATOM 432 O LEU A 26 69.846 1.283 9.882 1.00 0.00 O ATOM 433 CB LEU A 26 67.721 0.467 8.050 1.00 0.00 C ATOM 434 CG LEU A 26 66.649 1.520 8.346 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.197 2.176 7.040 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.450 0.849 9.020 1.00 0.00 C ATOM 0 H LEU A 26 69.530 -0.900 7.298 1.00 0.00 H new ATOM 0 HA LEU A 26 68.884 1.901 6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.380 -0.199 7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 26 67.891 -0.150 8.933 1.00 0.00 H new ATOM 0 HG LEU A 26 67.063 2.281 9.008 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.434 2.925 7.254 1.00 0.00 H new ATOM 0 HD12 LEU A 26 67.050 2.654 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.784 1.417 6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.686 1.597 9.231 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.039 0.088 8.357 1.00 0.00 H new ATOM 0 HD23 LEU A 26 65.770 0.384 9.952 1.00 0.00 H new ATOM 448 N TYR A 27 69.904 3.154 8.709 1.00 0.00 N ATOM 449 CA TYR A 27 70.473 3.925 9.854 1.00 0.00 C ATOM 450 C TYR A 27 69.375 4.734 10.553 1.00 0.00 C ATOM 451 O TYR A 27 69.233 4.681 11.761 1.00 0.00 O ATOM 452 CB TYR A 27 71.512 4.857 9.231 1.00 0.00 C ATOM 453 CG TYR A 27 72.318 5.629 10.251 1.00 0.00 C ATOM 454 CD1 TYR A 27 72.936 4.949 11.330 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.453 7.033 10.129 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.689 5.674 12.286 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.207 7.757 11.086 1.00 0.00 C ATOM 458 CZ TYR A 27 73.823 7.078 12.164 1.00 0.00 C ATOM 459 OH TYR A 27 74.557 7.785 13.095 1.00 0.00 O ATOM 0 H TYR A 27 69.756 3.693 7.856 1.00 0.00 H new ATOM 0 HA TYR A 27 70.912 3.272 10.609 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.191 4.270 8.612 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.007 5.561 8.570 1.00 0.00 H new ATOM 0 HD1 TYR A 27 72.833 3.878 11.423 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.982 7.552 9.307 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.161 5.156 13.108 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.312 8.828 10.992 1.00 0.00 H new ATOM 0 HH TYR A 27 74.549 8.737 12.863 1.00 0.00 H new ATOM 469 N THR A 28 68.597 5.478 9.800 1.00 0.00 N ATOM 470 CA THR A 28 67.528 6.327 10.419 1.00 0.00 C ATOM 471 C THR A 28 66.391 6.566 9.420 1.00 0.00 C ATOM 472 O THR A 28 66.592 6.524 8.221 1.00 0.00 O ATOM 473 CB THR A 28 68.213 7.650 10.776 1.00 0.00 C ATOM 474 OG1 THR A 28 68.994 8.090 9.673 1.00 0.00 O ATOM 475 CG2 THR A 28 69.114 7.456 11.996 1.00 0.00 C ATOM 0 H THR A 28 68.657 5.534 8.783 1.00 0.00 H new ATOM 0 HA THR A 28 67.088 5.850 11.295 1.00 0.00 H new ATOM 0 HB THR A 28 67.454 8.397 11.008 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.921 7.793 9.789 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.598 8.400 12.245 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.514 7.122 12.842 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.873 6.707 11.772 1.00 0.00 H new ATOM 483 N VAL A 29 65.201 6.819 9.911 1.00 0.00 N ATOM 484 CA VAL A 29 64.032 7.039 9.002 1.00 0.00 C ATOM 485 C VAL A 29 63.120 8.139 9.571 1.00 0.00 C ATOM 486 O VAL A 29 62.978 8.275 10.773 1.00 0.00 O ATOM 487 CB VAL A 29 63.315 5.677 8.937 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.795 5.278 10.326 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.138 5.757 7.956 1.00 0.00 C ATOM 0 H VAL A 29 64.989 6.883 10.907 1.00 0.00 H new ATOM 0 HA VAL A 29 64.327 7.375 8.008 1.00 0.00 H new ATOM 0 HB VAL A 29 64.027 4.925 8.596 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.291 4.314 10.263 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.632 5.205 11.021 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.093 6.032 10.682 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.634 4.792 7.913 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.435 6.519 8.293 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.508 6.017 6.964 1.00 0.00 H new ATOM 499 N ASP A 30 62.505 8.919 8.713 1.00 0.00 N ATOM 500 CA ASP A 30 61.551 9.967 9.183 1.00 0.00 C ATOM 501 C ASP A 30 60.225 9.839 8.414 1.00 0.00 C ATOM 502 O ASP A 30 60.141 10.277 7.282 1.00 0.00 O ATOM 503 CB ASP A 30 62.234 11.296 8.859 1.00 0.00 C ATOM 504 CG ASP A 30 61.571 12.419 9.658 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.368 12.583 9.527 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.275 13.097 10.388 1.00 0.00 O ATOM 0 H ASP A 30 62.626 8.872 7.701 1.00 0.00 H new ATOM 0 HA ASP A 30 61.320 9.880 10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.295 11.240 9.102 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.162 11.503 7.791 1.00 0.00 H new ATOM 511 N PRO A 31 59.226 9.241 9.045 1.00 0.00 N ATOM 512 CA PRO A 31 57.940 8.971 8.343 1.00 0.00 C ATOM 513 C PRO A 31 57.272 10.281 7.908 1.00 0.00 C ATOM 514 O PRO A 31 56.749 10.384 6.814 1.00 0.00 O ATOM 515 CB PRO A 31 57.086 8.240 9.384 1.00 0.00 C ATOM 516 CG PRO A 31 57.731 8.524 10.703 1.00 0.00 C ATOM 517 CD PRO A 31 59.190 8.770 10.439 1.00 0.00 C ATOM 0 HA PRO A 31 58.076 8.385 7.434 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.056 8.596 9.366 1.00 0.00 H new ATOM 0 HB3 PRO A 31 57.056 7.169 9.185 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.274 9.393 11.176 1.00 0.00 H new ATOM 0 HG3 PRO A 31 57.599 7.684 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.599 9.514 11.122 1.00 0.00 H new ATOM 0 HD3 PRO A 31 59.778 7.861 10.568 1.00 0.00 H new ATOM 525 N GLN A 32 57.300 11.284 8.747 1.00 0.00 N ATOM 526 CA GLN A 32 56.519 12.529 8.456 1.00 0.00 C ATOM 527 C GLN A 32 57.286 13.416 7.467 1.00 0.00 C ATOM 528 O GLN A 32 56.698 14.223 6.770 1.00 0.00 O ATOM 529 CB GLN A 32 56.338 13.234 9.801 1.00 0.00 C ATOM 530 CG GLN A 32 55.454 12.380 10.714 1.00 0.00 C ATOM 531 CD GLN A 32 55.306 13.065 12.075 1.00 0.00 C ATOM 532 OE1 GLN A 32 56.228 13.692 12.558 1.00 0.00 O ATOM 533 NE2 GLN A 32 54.175 12.970 12.718 1.00 0.00 N ATOM 0 H GLN A 32 57.828 11.297 9.620 1.00 0.00 H new ATOM 0 HA GLN A 32 55.555 12.307 7.998 1.00 0.00 H new ATOM 0 HB2 GLN A 32 57.308 13.400 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 32 55.884 14.214 9.651 1.00 0.00 H new ATOM 0 HG2 GLN A 32 54.474 12.238 10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 32 55.893 11.390 10.840 1.00 0.00 H new ATOM 0 HE21 GLN A 32 53.401 12.444 12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 32 54.065 13.422 13.626 1.00 0.00 H new ATOM 542 N GLU A 33 58.588 13.274 7.401 1.00 0.00 N ATOM 543 CA GLU A 33 59.373 14.000 6.352 1.00 0.00 C ATOM 544 C GLU A 33 59.442 13.185 5.046 1.00 0.00 C ATOM 545 O GLU A 33 60.054 13.616 4.085 1.00 0.00 O ATOM 546 CB GLU A 33 60.775 14.170 6.946 1.00 0.00 C ATOM 547 CG GLU A 33 60.713 15.110 8.153 1.00 0.00 C ATOM 548 CD GLU A 33 60.453 16.540 7.677 1.00 0.00 C ATOM 549 OE1 GLU A 33 59.295 16.909 7.575 1.00 0.00 O ATOM 550 OE2 GLU A 33 61.418 17.244 7.422 1.00 0.00 O ATOM 0 H GLU A 33 59.141 12.688 8.027 1.00 0.00 H new ATOM 0 HA GLU A 33 58.912 14.954 6.098 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.173 13.201 7.247 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.453 14.573 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.922 14.793 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 33 61.649 15.066 8.710 1.00 0.00 H new ATOM 557 N CYS A 34 58.822 12.015 4.995 1.00 0.00 N ATOM 558 CA CYS A 34 58.918 11.135 3.777 1.00 0.00 C ATOM 559 C CYS A 34 60.381 10.950 3.338 1.00 0.00 C ATOM 560 O CYS A 34 60.684 10.915 2.157 1.00 0.00 O ATOM 561 CB CYS A 34 58.117 11.861 2.690 1.00 0.00 C ATOM 562 SG CYS A 34 56.348 11.582 2.956 1.00 0.00 S ATOM 0 H CYS A 34 58.252 11.635 5.751 1.00 0.00 H new ATOM 0 HA CYS A 34 58.530 10.136 3.975 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.335 12.929 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.409 11.498 1.705 1.00 0.00 H new ATOM 0 HG CYS A 34 55.668 12.199 2.036 1.00 0.00 H new ATOM 568 N THR A 35 61.288 10.829 4.280 1.00 0.00 N ATOM 569 CA THR A 35 62.738 10.773 3.924 1.00 0.00 C ATOM 570 C THR A 35 63.444 9.686 4.734 1.00 0.00 C ATOM 571 O THR A 35 63.026 9.347 5.823 1.00 0.00 O ATOM 572 CB THR A 35 63.289 12.156 4.284 1.00 0.00 C ATOM 573 OG1 THR A 35 62.874 12.500 5.598 1.00 0.00 O ATOM 574 CG2 THR A 35 62.773 13.205 3.291 1.00 0.00 C ATOM 0 H THR A 35 61.085 10.767 5.278 1.00 0.00 H new ATOM 0 HA THR A 35 62.894 10.533 2.872 1.00 0.00 H new ATOM 0 HB THR A 35 64.378 12.131 4.237 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.227 13.384 5.831 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.171 14.184 3.557 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.097 12.943 2.284 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.684 13.234 3.326 1.00 0.00 H new ATOM 582 N ILE A 36 64.509 9.139 4.205 1.00 0.00 N ATOM 583 CA ILE A 36 65.278 8.099 4.957 1.00 0.00 C ATOM 584 C ILE A 36 66.780 8.266 4.703 1.00 0.00 C ATOM 585 O ILE A 36 67.188 8.910 3.755 1.00 0.00 O ATOM 586 CB ILE A 36 64.777 6.743 4.427 1.00 0.00 C ATOM 587 CG1 ILE A 36 64.982 6.651 2.907 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.288 6.585 4.748 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.772 5.207 2.448 1.00 0.00 C ATOM 0 H ILE A 36 64.881 9.368 3.283 1.00 0.00 H new ATOM 0 HA ILE A 36 65.128 8.180 6.034 1.00 0.00 H new ATOM 0 HB ILE A 36 65.346 5.948 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.282 7.312 2.395 1.00 0.00 H new ATOM 0 HG13 ILE A 36 65.986 6.985 2.644 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.935 5.625 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.142 6.628 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.726 7.389 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.918 5.143 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.489 4.558 2.950 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.759 4.890 2.697 1.00 0.00 H new ATOM 601 N ALA A 37 67.601 7.689 5.545 1.00 0.00 N ATOM 602 CA ALA A 37 69.075 7.726 5.312 1.00 0.00 C ATOM 603 C ALA A 37 69.676 6.347 5.581 1.00 0.00 C ATOM 604 O ALA A 37 69.454 5.757 6.625 1.00 0.00 O ATOM 605 CB ALA A 37 69.621 8.757 6.303 1.00 0.00 C ATOM 0 H ALA A 37 67.311 7.192 6.387 1.00 0.00 H new ATOM 0 HA ALA A 37 69.324 7.992 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.702 8.836 6.187 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.163 9.727 6.108 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.387 8.443 7.320 1.00 0.00 H new ATOM 611 N LEU A 38 70.434 5.836 4.644 1.00 0.00 N ATOM 612 CA LEU A 38 71.037 4.480 4.805 1.00 0.00 C ATOM 613 C LEU A 38 72.546 4.614 4.999 1.00 0.00 C ATOM 614 O LEU A 38 73.164 5.516 4.466 1.00 0.00 O ATOM 615 CB LEU A 38 70.732 3.741 3.498 1.00 0.00 C ATOM 616 CG LEU A 38 69.216 3.595 3.318 1.00 0.00 C ATOM 617 CD1 LEU A 38 68.919 3.060 1.916 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.666 2.618 4.361 1.00 0.00 C ATOM 0 H LEU A 38 70.662 6.305 3.767 1.00 0.00 H new ATOM 0 HA LEU A 38 70.638 3.948 5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.155 4.287 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.201 2.757 3.509 1.00 0.00 H new ATOM 0 HG LEU A 38 68.742 4.568 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.842 2.956 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.308 3.755 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.395 2.088 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.589 2.516 4.231 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.141 1.645 4.234 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.877 2.997 5.361 1.00 0.00 H new ATOM 630 N SER A 39 73.143 3.723 5.751 1.00 0.00 N ATOM 631 CA SER A 39 74.605 3.835 6.033 1.00 0.00 C ATOM 632 C SER A 39 75.312 2.584 5.522 1.00 0.00 C ATOM 633 O SER A 39 74.717 1.527 5.445 1.00 0.00 O ATOM 634 CB SER A 39 74.714 3.936 7.553 1.00 0.00 C ATOM 635 OG SER A 39 74.259 2.723 8.138 1.00 0.00 O ATOM 0 H SER A 39 72.680 2.923 6.182 1.00 0.00 H new ATOM 0 HA SER A 39 75.065 4.694 5.545 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.747 4.128 7.843 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.120 4.774 7.917 1.00 0.00 H new ATOM 0 HG SER A 39 74.329 2.784 9.114 1.00 0.00 H new ATOM 641 N SER A 40 76.577 2.698 5.173 1.00 0.00 N ATOM 642 CA SER A 40 77.307 1.569 4.500 1.00 0.00 C ATOM 643 C SER A 40 76.438 0.956 3.389 1.00 0.00 C ATOM 644 O SER A 40 75.699 0.010 3.609 1.00 0.00 O ATOM 645 CB SER A 40 77.619 0.554 5.607 1.00 0.00 C ATOM 646 OG SER A 40 76.441 -0.151 5.973 1.00 0.00 O ATOM 0 H SER A 40 77.140 3.534 5.328 1.00 0.00 H new ATOM 0 HA SER A 40 78.224 1.904 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.379 -0.147 5.263 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.029 1.068 6.476 1.00 0.00 H new ATOM 0 HG SER A 40 75.700 0.128 5.395 1.00 0.00 H new ATOM 652 N VAL A 41 76.521 1.511 2.205 1.00 0.00 N ATOM 653 CA VAL A 41 75.677 1.029 1.071 1.00 0.00 C ATOM 654 C VAL A 41 76.533 0.886 -0.198 1.00 0.00 C ATOM 655 O VAL A 41 77.449 1.656 -0.431 1.00 0.00 O ATOM 656 CB VAL A 41 74.574 2.095 0.910 1.00 0.00 C ATOM 657 CG1 VAL A 41 75.194 3.452 0.562 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.596 1.682 -0.199 1.00 0.00 C ATOM 0 H VAL A 41 77.144 2.285 1.975 1.00 0.00 H new ATOM 0 HA VAL A 41 75.243 0.046 1.253 1.00 0.00 H new ATOM 0 HB VAL A 41 74.035 2.178 1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.404 4.195 0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.871 3.758 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.748 3.370 -0.373 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.822 2.442 -0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 41 74.135 1.582 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.135 0.728 0.059 1.00 0.00 H new ATOM 668 N ARG A 42 76.235 -0.096 -1.013 1.00 0.00 N ATOM 669 CA ARG A 42 76.997 -0.297 -2.282 1.00 0.00 C ATOM 670 C ARG A 42 76.044 -0.207 -3.478 1.00 0.00 C ATOM 671 O ARG A 42 74.865 -0.484 -3.355 1.00 0.00 O ATOM 672 CB ARG A 42 77.588 -1.708 -2.178 1.00 0.00 C ATOM 673 CG ARG A 42 78.527 -1.797 -0.972 1.00 0.00 C ATOM 674 CD ARG A 42 79.292 -3.123 -1.013 1.00 0.00 C ATOM 675 NE ARG A 42 80.032 -3.198 0.289 1.00 0.00 N ATOM 676 CZ ARG A 42 80.527 -4.337 0.734 1.00 0.00 C ATOM 677 NH1 ARG A 42 80.402 -5.455 0.056 1.00 0.00 N ATOM 678 NH2 ARG A 42 81.161 -4.352 1.875 1.00 0.00 N ATOM 0 H ARG A 42 75.489 -0.773 -0.851 1.00 0.00 H new ATOM 0 HA ARG A 42 77.771 0.457 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 42 76.787 -2.440 -2.080 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.132 -1.951 -3.091 1.00 0.00 H new ATOM 0 HG2 ARG A 42 79.227 -0.961 -0.981 1.00 0.00 H new ATOM 0 HG3 ARG A 42 77.955 -1.724 -0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 42 78.610 -3.966 -1.126 1.00 0.00 H new ATOM 0 HD3 ARG A 42 79.980 -3.153 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 42 80.155 -2.350 0.842 1.00 0.00 H new ATOM 0 HH11 ARG A 42 79.912 -5.457 -0.839 1.00 0.00 H new ATOM 0 HH12 ARG A 42 80.795 -6.321 0.424 1.00 0.00 H new ATOM 0 HH21 ARG A 42 81.268 -3.490 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 42 81.549 -5.225 2.231 1.00 0.00 H new ATOM 692 N SER A 43 76.544 0.176 -4.628 1.00 0.00 N ATOM 693 CA SER A 43 75.684 0.224 -5.853 1.00 0.00 C ATOM 694 C SER A 43 76.122 -0.863 -6.839 1.00 0.00 C ATOM 695 O SER A 43 77.299 -1.027 -7.104 1.00 0.00 O ATOM 696 CB SER A 43 75.911 1.615 -6.443 1.00 0.00 C ATOM 697 OG SER A 43 77.244 1.709 -6.928 1.00 0.00 O ATOM 0 H SER A 43 77.514 0.458 -4.772 1.00 0.00 H new ATOM 0 HA SER A 43 74.631 0.048 -5.632 1.00 0.00 H new ATOM 0 HB2 SER A 43 75.204 1.799 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.733 2.377 -5.685 1.00 0.00 H new ATOM 0 HG SER A 43 77.586 0.811 -7.120 1.00 0.00 H new ATOM 703 N PHE A 44 75.185 -1.604 -7.382 1.00 0.00 N ATOM 704 CA PHE A 44 75.559 -2.775 -8.240 1.00 0.00 C ATOM 705 C PHE A 44 75.864 -2.331 -9.675 1.00 0.00 C ATOM 706 O PHE A 44 76.769 -2.848 -10.304 1.00 0.00 O ATOM 707 CB PHE A 44 74.338 -3.697 -8.215 1.00 0.00 C ATOM 708 CG PHE A 44 74.104 -4.350 -6.873 1.00 0.00 C ATOM 709 CD1 PHE A 44 74.929 -5.422 -6.453 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.059 -3.890 -6.035 1.00 0.00 C ATOM 711 CE1 PHE A 44 74.708 -6.034 -5.195 1.00 0.00 C ATOM 712 CE2 PHE A 44 72.839 -4.502 -4.777 1.00 0.00 C ATOM 713 CZ PHE A 44 73.663 -5.574 -4.357 1.00 0.00 C ATOM 0 H PHE A 44 74.183 -1.450 -7.270 1.00 0.00 H new ATOM 0 HA PHE A 44 76.457 -3.271 -7.872 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.453 -3.123 -8.490 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.462 -4.472 -8.971 1.00 0.00 H new ATOM 0 HD1 PHE A 44 75.726 -5.773 -7.092 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.430 -3.073 -6.355 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.337 -6.852 -4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.042 -4.151 -4.138 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.495 -6.041 -3.398 1.00 0.00 H new ATOM 723 N GLY A 45 75.120 -1.384 -10.199 1.00 0.00 N ATOM 724 CA GLY A 45 75.414 -0.878 -11.572 1.00 0.00 C ATOM 725 C GLY A 45 74.255 -0.019 -12.085 1.00 0.00 C ATOM 726 O GLY A 45 73.208 0.064 -11.470 1.00 0.00 O ATOM 0 H GLY A 45 74.326 -0.943 -9.735 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.333 -0.291 -11.561 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.580 -1.717 -12.248 1.00 0.00 H new ATOM 730 N THR A 46 74.447 0.623 -13.212 1.00 0.00 N ATOM 731 CA THR A 46 73.331 1.369 -13.879 1.00 0.00 C ATOM 732 C THR A 46 73.029 0.779 -15.269 1.00 0.00 C ATOM 733 O THR A 46 72.236 1.322 -16.014 1.00 0.00 O ATOM 734 CB THR A 46 73.825 2.816 -14.008 1.00 0.00 C ATOM 735 OG1 THR A 46 75.210 2.826 -14.332 1.00 0.00 O ATOM 736 CG2 THR A 46 73.600 3.565 -12.689 1.00 0.00 C ATOM 0 H THR A 46 75.339 0.663 -13.704 1.00 0.00 H new ATOM 0 HA THR A 46 72.407 1.303 -13.304 1.00 0.00 H new ATOM 0 HB THR A 46 73.266 3.312 -14.801 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.520 3.752 -14.415 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.953 4.591 -12.789 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.537 3.569 -12.450 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.150 3.068 -11.890 1.00 0.00 H new ATOM 744 N GLU A 47 73.658 -0.327 -15.619 1.00 0.00 N ATOM 745 CA GLU A 47 73.655 -0.820 -17.041 1.00 0.00 C ATOM 746 C GLU A 47 72.237 -0.902 -17.642 1.00 0.00 C ATOM 747 O GLU A 47 72.076 -0.852 -18.848 1.00 0.00 O ATOM 748 CB GLU A 47 74.296 -2.217 -16.991 1.00 0.00 C ATOM 749 CG GLU A 47 73.473 -3.154 -16.096 1.00 0.00 C ATOM 750 CD GLU A 47 74.180 -4.506 -15.983 1.00 0.00 C ATOM 751 OE1 GLU A 47 74.215 -5.219 -16.972 1.00 0.00 O ATOM 752 OE2 GLU A 47 74.676 -4.804 -14.909 1.00 0.00 O ATOM 0 H GLU A 47 74.180 -0.916 -14.970 1.00 0.00 H new ATOM 0 HA GLU A 47 74.201 -0.128 -17.682 1.00 0.00 H new ATOM 0 HB2 GLU A 47 74.361 -2.630 -17.998 1.00 0.00 H new ATOM 0 HB3 GLU A 47 75.315 -2.143 -16.611 1.00 0.00 H new ATOM 0 HG2 GLU A 47 73.349 -2.713 -15.107 1.00 0.00 H new ATOM 0 HG3 GLU A 47 72.475 -3.288 -16.513 1.00 0.00 H new ATOM 759 N ASP A 48 71.218 -1.028 -16.825 1.00 0.00 N ATOM 760 CA ASP A 48 69.831 -1.183 -17.379 1.00 0.00 C ATOM 761 C ASP A 48 69.401 0.086 -18.129 1.00 0.00 C ATOM 762 O ASP A 48 69.099 0.043 -19.308 1.00 0.00 O ATOM 763 CB ASP A 48 68.929 -1.413 -16.163 1.00 0.00 C ATOM 764 CG ASP A 48 69.214 -2.794 -15.564 1.00 0.00 C ATOM 765 OD1 ASP A 48 70.379 -3.140 -15.448 1.00 0.00 O ATOM 766 OD2 ASP A 48 68.262 -3.480 -15.231 1.00 0.00 O ATOM 0 H ASP A 48 71.283 -1.031 -15.807 1.00 0.00 H new ATOM 0 HA ASP A 48 69.773 -2.006 -18.091 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.104 -0.639 -15.416 1.00 0.00 H new ATOM 0 HB3 ASP A 48 67.882 -1.342 -16.456 1.00 0.00 H new ATOM 771 N ARG A 49 69.372 1.210 -17.453 1.00 0.00 N ATOM 772 CA ARG A 49 69.044 2.503 -18.137 1.00 0.00 C ATOM 773 C ARG A 49 70.317 3.246 -18.575 1.00 0.00 C ATOM 774 O ARG A 49 70.256 4.394 -18.977 1.00 0.00 O ATOM 775 CB ARG A 49 68.274 3.321 -17.099 1.00 0.00 C ATOM 776 CG ARG A 49 66.805 2.895 -17.103 1.00 0.00 C ATOM 777 CD ARG A 49 65.971 3.916 -16.321 1.00 0.00 C ATOM 778 NE ARG A 49 64.542 3.547 -16.581 1.00 0.00 N ATOM 779 CZ ARG A 49 63.558 4.390 -16.334 1.00 0.00 C ATOM 780 NH1 ARG A 49 63.784 5.587 -15.842 1.00 0.00 N ATOM 781 NH2 ARG A 49 62.330 4.024 -16.580 1.00 0.00 N ATOM 0 H ARG A 49 69.562 1.288 -16.454 1.00 0.00 H new ATOM 0 HA ARG A 49 68.464 2.337 -19.045 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.705 3.171 -16.109 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.356 4.384 -17.324 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.440 2.821 -18.127 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.701 1.907 -16.655 1.00 0.00 H new ATOM 0 HD2 ARG A 49 66.199 3.876 -15.256 1.00 0.00 H new ATOM 0 HD3 ARG A 49 66.181 4.932 -16.654 1.00 0.00 H new ATOM 0 HE ARG A 49 64.326 2.624 -16.957 1.00 0.00 H new ATOM 0 HH11 ARG A 49 64.739 5.884 -15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 49 63.004 6.219 -15.660 1.00 0.00 H new ATOM 0 HH21 ARG A 49 62.141 3.096 -16.959 1.00 0.00 H new ATOM 0 HH22 ARG A 49 61.559 4.666 -16.394 1.00 0.00 H new ATOM 795 N ASP A 50 71.466 2.610 -18.502 1.00 0.00 N ATOM 796 CA ASP A 50 72.760 3.347 -18.707 1.00 0.00 C ATOM 797 C ASP A 50 72.812 4.016 -20.090 1.00 0.00 C ATOM 798 O ASP A 50 71.936 3.836 -20.915 1.00 0.00 O ATOM 799 CB ASP A 50 73.866 2.283 -18.580 1.00 0.00 C ATOM 800 CG ASP A 50 73.747 1.225 -19.694 1.00 0.00 C ATOM 801 OD1 ASP A 50 72.696 1.141 -20.310 1.00 0.00 O ATOM 802 OD2 ASP A 50 74.717 0.517 -19.909 1.00 0.00 O ATOM 0 H ASP A 50 71.564 1.613 -18.309 1.00 0.00 H new ATOM 0 HA ASP A 50 72.877 4.147 -17.976 1.00 0.00 H new ATOM 0 HB2 ASP A 50 74.844 2.762 -18.632 1.00 0.00 H new ATOM 0 HB3 ASP A 50 73.799 1.799 -17.606 1.00 0.00 H new ATOM 807 N THR A 51 73.844 4.787 -20.331 1.00 0.00 N ATOM 808 CA THR A 51 74.048 5.397 -21.681 1.00 0.00 C ATOM 809 C THR A 51 74.638 4.357 -22.635 1.00 0.00 C ATOM 810 O THR A 51 75.131 3.327 -22.210 1.00 0.00 O ATOM 811 CB THR A 51 75.035 6.547 -21.465 1.00 0.00 C ATOM 812 OG1 THR A 51 74.585 7.358 -20.389 1.00 0.00 O ATOM 813 CG2 THR A 51 75.127 7.390 -22.738 1.00 0.00 C ATOM 0 H THR A 51 74.560 5.022 -19.643 1.00 0.00 H new ATOM 0 HA THR A 51 73.114 5.749 -22.120 1.00 0.00 H new ATOM 0 HB THR A 51 76.019 6.142 -21.229 1.00 0.00 H new ATOM 0 HG1 THR A 51 75.216 8.094 -20.248 1.00 0.00 H new ATOM 0 HG21 THR A 51 75.830 8.208 -22.582 1.00 0.00 H new ATOM 0 HG22 THR A 51 75.472 6.767 -23.563 1.00 0.00 H new ATOM 0 HG23 THR A 51 74.144 7.797 -22.977 1.00 0.00 H new ATOM 821 N GLN A 52 74.591 4.619 -23.919 1.00 0.00 N ATOM 822 CA GLN A 52 75.126 3.626 -24.909 1.00 0.00 C ATOM 823 C GLN A 52 76.665 3.669 -24.968 1.00 0.00 C ATOM 824 O GLN A 52 77.273 2.994 -25.778 1.00 0.00 O ATOM 825 CB GLN A 52 74.515 4.013 -26.269 1.00 0.00 C ATOM 826 CG GLN A 52 74.907 5.446 -26.659 1.00 0.00 C ATOM 827 CD GLN A 52 74.606 5.670 -28.143 1.00 0.00 C ATOM 828 OE1 GLN A 52 73.487 5.963 -28.510 1.00 0.00 O ATOM 829 NE2 GLN A 52 75.568 5.543 -29.017 1.00 0.00 N ATOM 0 H GLN A 52 74.208 5.473 -24.325 1.00 0.00 H new ATOM 0 HA GLN A 52 74.860 2.608 -24.626 1.00 0.00 H new ATOM 0 HB2 GLN A 52 74.855 3.317 -27.036 1.00 0.00 H new ATOM 0 HB3 GLN A 52 73.429 3.929 -26.221 1.00 0.00 H new ATOM 0 HG2 GLN A 52 74.355 6.164 -26.052 1.00 0.00 H new ATOM 0 HG3 GLN A 52 75.966 5.611 -26.463 1.00 0.00 H new ATOM 0 HE21 GLN A 52 76.508 5.297 -28.708 1.00 0.00 H new ATOM 0 HE22 GLN A 52 75.379 5.690 -30.008 1.00 0.00 H new ATOM 838 N PHE A 53 77.299 4.454 -24.122 1.00 0.00 N ATOM 839 CA PHE A 53 78.781 4.343 -23.954 1.00 0.00 C ATOM 840 C PHE A 53 79.097 3.446 -22.752 1.00 0.00 C ATOM 841 O PHE A 53 78.230 3.150 -21.948 1.00 0.00 O ATOM 842 CB PHE A 53 79.264 5.777 -23.708 1.00 0.00 C ATOM 843 CG PHE A 53 79.625 6.527 -24.973 1.00 0.00 C ATOM 844 CD1 PHE A 53 78.799 6.434 -26.122 1.00 0.00 C ATOM 845 CD2 PHE A 53 80.793 7.328 -25.007 1.00 0.00 C ATOM 846 CE1 PHE A 53 79.142 7.140 -27.301 1.00 0.00 C ATOM 847 CE2 PHE A 53 81.135 8.034 -26.186 1.00 0.00 C ATOM 848 CZ PHE A 53 80.310 7.939 -27.333 1.00 0.00 C ATOM 0 H PHE A 53 76.851 5.164 -23.543 1.00 0.00 H new ATOM 0 HA PHE A 53 79.271 3.901 -24.822 1.00 0.00 H new ATOM 0 HB2 PHE A 53 78.485 6.327 -23.181 1.00 0.00 H new ATOM 0 HB3 PHE A 53 80.134 5.750 -23.052 1.00 0.00 H new ATOM 0 HD1 PHE A 53 77.908 5.824 -26.098 1.00 0.00 H new ATOM 0 HD2 PHE A 53 81.423 7.400 -24.133 1.00 0.00 H new ATOM 0 HE1 PHE A 53 78.512 7.069 -28.176 1.00 0.00 H new ATOM 0 HE2 PHE A 53 82.025 8.645 -26.210 1.00 0.00 H new ATOM 0 HZ PHE A 53 80.572 8.476 -28.232 1.00 0.00 H new ATOM 858 N GLN A 54 80.327 3.014 -22.625 1.00 0.00 N ATOM 859 CA GLN A 54 80.684 2.056 -21.529 1.00 0.00 C ATOM 860 C GLN A 54 80.883 2.806 -20.208 1.00 0.00 C ATOM 861 O GLN A 54 81.554 3.821 -20.156 1.00 0.00 O ATOM 862 CB GLN A 54 81.994 1.401 -21.976 1.00 0.00 C ATOM 863 CG GLN A 54 82.332 0.238 -21.040 1.00 0.00 C ATOM 864 CD GLN A 54 83.706 -0.326 -21.403 1.00 0.00 C ATOM 865 OE1 GLN A 54 84.699 0.372 -21.338 1.00 0.00 O ATOM 866 NE2 GLN A 54 83.809 -1.570 -21.784 1.00 0.00 N ATOM 0 H GLN A 54 81.101 3.283 -23.233 1.00 0.00 H new ATOM 0 HA GLN A 54 79.899 1.319 -21.360 1.00 0.00 H new ATOM 0 HB2 GLN A 54 81.901 1.041 -23.001 1.00 0.00 H new ATOM 0 HB3 GLN A 54 82.800 2.134 -21.967 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.329 0.578 -20.004 1.00 0.00 H new ATOM 0 HG3 GLN A 54 81.574 -0.541 -21.122 1.00 0.00 H new ATOM 0 HE21 GLN A 54 82.977 -2.157 -21.839 1.00 0.00 H new ATOM 0 HE22 GLN A 54 84.722 -1.955 -22.027 1.00 0.00 H new ATOM 875 N ILE A 55 80.300 2.310 -19.140 1.00 0.00 N ATOM 876 CA ILE A 55 80.489 2.951 -17.800 1.00 0.00 C ATOM 877 C ILE A 55 81.261 1.998 -16.880 1.00 0.00 C ATOM 878 O ILE A 55 80.977 0.816 -16.822 1.00 0.00 O ATOM 879 CB ILE A 55 79.071 3.207 -17.256 1.00 0.00 C ATOM 880 CG1 ILE A 55 78.295 4.109 -18.226 1.00 0.00 C ATOM 881 CG2 ILE A 55 79.160 3.903 -15.892 1.00 0.00 C ATOM 882 CD1 ILE A 55 76.817 4.141 -17.827 1.00 0.00 C ATOM 0 H ILE A 55 79.699 1.486 -19.141 1.00 0.00 H new ATOM 0 HA ILE A 55 81.059 3.878 -17.861 1.00 0.00 H new ATOM 0 HB ILE A 55 78.555 2.253 -17.151 1.00 0.00 H new ATOM 0 HG12 ILE A 55 78.708 5.118 -18.210 1.00 0.00 H new ATOM 0 HG13 ILE A 55 78.399 3.738 -19.246 1.00 0.00 H new ATOM 0 HG21 ILE A 55 78.155 4.083 -15.509 1.00 0.00 H new ATOM 0 HG22 ILE A 55 79.706 3.268 -15.194 1.00 0.00 H new ATOM 0 HG23 ILE A 55 79.682 4.853 -16.002 1.00 0.00 H new ATOM 0 HD11 ILE A 55 76.268 4.782 -18.517 1.00 0.00 H new ATOM 0 HD12 ILE A 55 76.408 3.131 -17.866 1.00 0.00 H new ATOM 0 HD13 ILE A 55 76.722 4.533 -16.814 1.00 0.00 H new ATOM 894 N ALA A 56 82.234 2.508 -16.163 1.00 0.00 N ATOM 895 CA ALA A 56 83.035 1.638 -15.248 1.00 0.00 C ATOM 896 C ALA A 56 82.359 1.557 -13.867 1.00 0.00 C ATOM 897 O ALA A 56 81.760 2.521 -13.429 1.00 0.00 O ATOM 898 CB ALA A 56 84.400 2.322 -15.136 1.00 0.00 C ATOM 0 H ALA A 56 82.507 3.491 -16.173 1.00 0.00 H new ATOM 0 HA ALA A 56 83.122 0.618 -15.622 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.046 1.740 -14.478 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.855 2.390 -16.124 1.00 0.00 H new ATOM 0 HB3 ALA A 56 84.272 3.324 -14.726 1.00 0.00 H new ATOM 904 N PRO A 57 82.473 0.411 -13.218 1.00 0.00 N ATOM 905 CA PRO A 57 81.843 0.234 -11.883 1.00 0.00 C ATOM 906 C PRO A 57 82.555 1.101 -10.840 1.00 0.00 C ATOM 907 O PRO A 57 83.741 1.358 -10.943 1.00 0.00 O ATOM 908 CB PRO A 57 82.030 -1.252 -11.577 1.00 0.00 C ATOM 909 CG PRO A 57 83.172 -1.692 -12.434 1.00 0.00 C ATOM 910 CD PRO A 57 83.181 -0.806 -13.652 1.00 0.00 C ATOM 0 HA PRO A 57 80.795 0.532 -11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 57 82.247 -1.412 -10.521 1.00 0.00 H new ATOM 0 HB3 PRO A 57 81.126 -1.817 -11.806 1.00 0.00 H new ATOM 0 HG2 PRO A 57 84.114 -1.610 -11.892 1.00 0.00 H new ATOM 0 HG3 PRO A 57 83.058 -2.738 -12.720 1.00 0.00 H new ATOM 0 HD2 PRO A 57 84.198 -0.582 -13.974 1.00 0.00 H new ATOM 0 HD3 PRO A 57 82.677 -1.281 -14.494 1.00 0.00 H new ATOM 918 N GLN A 58 81.838 1.552 -9.839 1.00 0.00 N ATOM 919 CA GLN A 58 82.470 2.385 -8.770 1.00 0.00 C ATOM 920 C GLN A 58 82.931 1.494 -7.613 1.00 0.00 C ATOM 921 O GLN A 58 82.127 0.987 -6.852 1.00 0.00 O ATOM 922 CB GLN A 58 81.372 3.342 -8.304 1.00 0.00 C ATOM 923 CG GLN A 58 81.037 4.324 -9.429 1.00 0.00 C ATOM 924 CD GLN A 58 80.008 5.342 -8.931 1.00 0.00 C ATOM 925 OE1 GLN A 58 80.349 6.273 -8.229 1.00 0.00 O ATOM 926 NE2 GLN A 58 78.756 5.202 -9.268 1.00 0.00 N ATOM 0 H GLN A 58 80.840 1.378 -9.717 1.00 0.00 H new ATOM 0 HA GLN A 58 83.348 2.921 -9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.482 2.780 -8.021 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.701 3.886 -7.419 1.00 0.00 H new ATOM 0 HG2 GLN A 58 81.940 4.837 -9.759 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.643 3.785 -10.291 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.471 4.420 -9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 58 78.062 5.875 -8.942 1.00 0.00 H new ATOM 935 N SER A 59 84.222 1.302 -7.480 1.00 0.00 N ATOM 936 CA SER A 59 84.750 0.435 -6.376 1.00 0.00 C ATOM 937 C SER A 59 84.511 1.099 -5.017 1.00 0.00 C ATOM 938 O SER A 59 84.240 0.435 -4.034 1.00 0.00 O ATOM 939 CB SER A 59 86.250 0.296 -6.647 1.00 0.00 C ATOM 940 OG SER A 59 86.446 -0.177 -7.973 1.00 0.00 O ATOM 0 H SER A 59 84.934 1.708 -8.088 1.00 0.00 H new ATOM 0 HA SER A 59 84.253 -0.535 -6.349 1.00 0.00 H new ATOM 0 HB2 SER A 59 86.746 1.258 -6.515 1.00 0.00 H new ATOM 0 HB3 SER A 59 86.698 -0.395 -5.932 1.00 0.00 H new ATOM 0 HG SER A 59 87.406 -0.265 -8.150 1.00 0.00 H new ATOM 946 N GLN A 60 84.611 2.407 -4.959 1.00 0.00 N ATOM 947 CA GLN A 60 84.419 3.131 -3.657 1.00 0.00 C ATOM 948 C GLN A 60 83.006 2.891 -3.102 1.00 0.00 C ATOM 949 O GLN A 60 82.025 2.989 -3.817 1.00 0.00 O ATOM 950 CB GLN A 60 84.643 4.622 -3.972 1.00 0.00 C ATOM 951 CG GLN A 60 83.604 5.125 -4.986 1.00 0.00 C ATOM 952 CD GLN A 60 83.915 6.576 -5.357 1.00 0.00 C ATOM 953 OE1 GLN A 60 84.768 6.834 -6.184 1.00 0.00 O ATOM 954 NE2 GLN A 60 83.255 7.541 -4.777 1.00 0.00 N ATOM 0 H GLN A 60 84.818 3.007 -5.758 1.00 0.00 H new ATOM 0 HA GLN A 60 85.113 2.777 -2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.576 5.207 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 60 85.647 4.768 -4.370 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.618 4.499 -5.878 1.00 0.00 H new ATOM 0 HG3 GLN A 60 82.602 5.053 -4.562 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.539 7.324 -4.083 1.00 0.00 H new ATOM 0 HE22 GLN A 60 83.455 8.512 -5.018 1.00 0.00 H new ATOM 963 N ILE A 61 82.904 2.579 -1.833 1.00 0.00 N ATOM 964 CA ILE A 61 81.561 2.367 -1.207 1.00 0.00 C ATOM 965 C ILE A 61 81.114 3.652 -0.501 1.00 0.00 C ATOM 966 O ILE A 61 81.932 4.453 -0.086 1.00 0.00 O ATOM 967 CB ILE A 61 81.758 1.229 -0.187 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.372 -0.015 -0.869 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.407 0.852 0.433 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.500 -0.491 -2.046 1.00 0.00 C ATOM 0 H ILE A 61 83.696 2.462 -1.201 1.00 0.00 H new ATOM 0 HA ILE A 61 80.796 2.115 -1.942 1.00 0.00 H new ATOM 0 HB ILE A 61 82.438 1.576 0.591 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.374 0.221 -1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.475 -0.819 -0.140 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.549 0.047 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 61 79.983 1.720 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.727 0.520 -0.351 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.957 -1.367 -2.506 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.506 -0.749 -1.681 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.419 0.306 -2.785 1.00 0.00 H new ATOM 982 N TYR A 62 79.825 3.852 -0.363 1.00 0.00 N ATOM 983 CA TYR A 62 79.320 5.126 0.234 1.00 0.00 C ATOM 984 C TYR A 62 79.028 4.939 1.725 1.00 0.00 C ATOM 985 O TYR A 62 78.121 4.219 2.099 1.00 0.00 O ATOM 986 CB TYR A 62 78.032 5.436 -0.526 1.00 0.00 C ATOM 987 CG TYR A 62 78.240 5.662 -2.005 1.00 0.00 C ATOM 988 CD1 TYR A 62 78.740 6.904 -2.469 1.00 0.00 C ATOM 989 CD2 TYR A 62 77.937 4.632 -2.928 1.00 0.00 C ATOM 990 CE1 TYR A 62 78.934 7.115 -3.856 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.131 4.843 -4.314 1.00 0.00 C ATOM 992 CZ TYR A 62 78.630 6.085 -4.779 1.00 0.00 C ATOM 993 OH TYR A 62 78.820 6.290 -6.129 1.00 0.00 O ATOM 0 H TYR A 62 79.102 3.187 -0.638 1.00 0.00 H new ATOM 0 HA TYR A 62 80.048 5.933 0.153 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.332 4.612 -0.388 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.570 6.323 -0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 62 78.973 7.689 -1.765 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.558 3.685 -2.574 1.00 0.00 H new ATOM 0 HE1 TYR A 62 79.314 8.062 -4.210 1.00 0.00 H new ATOM 0 HE2 TYR A 62 77.899 4.057 -5.017 1.00 0.00 H new ATOM 0 HH TYR A 62 79.744 6.068 -6.367 1.00 0.00 H new ATOM 1003 N ASP A 63 79.795 5.582 2.577 1.00 0.00 N ATOM 1004 CA ASP A 63 79.520 5.535 4.055 1.00 0.00 C ATOM 1005 C ASP A 63 78.061 5.900 4.368 1.00 0.00 C ATOM 1006 O ASP A 63 77.427 5.291 5.209 1.00 0.00 O ATOM 1007 CB ASP A 63 80.457 6.583 4.664 1.00 0.00 C ATOM 1008 CG ASP A 63 81.911 6.131 4.501 1.00 0.00 C ATOM 1009 OD1 ASP A 63 82.176 4.959 4.713 1.00 0.00 O ATOM 1010 OD2 ASP A 63 82.736 6.966 4.168 1.00 0.00 O ATOM 0 H ASP A 63 80.605 6.141 2.312 1.00 0.00 H new ATOM 0 HA ASP A 63 79.683 4.534 4.455 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.308 7.546 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 63 80.225 6.722 5.720 1.00 0.00 H new ATOM 1015 N TYR A 64 77.531 6.892 3.692 1.00 0.00 N ATOM 1016 CA TYR A 64 76.154 7.383 4.012 1.00 0.00 C ATOM 1017 C TYR A 64 75.515 8.008 2.768 1.00 0.00 C ATOM 1018 O TYR A 64 76.113 8.837 2.106 1.00 0.00 O ATOM 1019 CB TYR A 64 76.362 8.445 5.096 1.00 0.00 C ATOM 1020 CG TYR A 64 75.087 8.907 5.771 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.094 9.603 5.034 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.893 8.658 7.153 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.914 10.045 5.678 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.711 9.100 7.793 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.722 9.794 7.057 1.00 0.00 C ATOM 1026 OH TYR A 64 71.572 10.227 7.685 1.00 0.00 O ATOM 0 H TYR A 64 77.996 7.384 2.929 1.00 0.00 H new ATOM 0 HA TYR A 64 75.492 6.582 4.342 1.00 0.00 H new ATOM 0 HB2 TYR A 64 77.036 8.046 5.854 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.857 9.308 4.652 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.239 9.795 3.981 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.648 8.131 7.718 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.159 10.575 5.116 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.564 8.907 8.845 1.00 0.00 H new ATOM 0 HH TYR A 64 71.600 9.972 8.631 1.00 0.00 H new ATOM 1036 N ILE A 65 74.306 7.614 2.448 1.00 0.00 N ATOM 1037 CA ILE A 65 73.555 8.296 1.343 1.00 0.00 C ATOM 1038 C ILE A 65 72.167 8.722 1.843 1.00 0.00 C ATOM 1039 O ILE A 65 71.427 7.928 2.395 1.00 0.00 O ATOM 1040 CB ILE A 65 73.440 7.264 0.207 1.00 0.00 C ATOM 1041 CG1 ILE A 65 74.846 6.875 -0.279 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.648 7.869 -0.965 1.00 0.00 C ATOM 1043 CD1 ILE A 65 74.747 5.792 -1.361 1.00 0.00 C ATOM 0 H ILE A 65 73.806 6.850 2.903 1.00 0.00 H new ATOM 0 HA ILE A 65 74.063 9.197 0.999 1.00 0.00 H new ATOM 0 HB ILE A 65 72.922 6.379 0.578 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.358 7.752 -0.676 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.441 6.511 0.558 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.569 7.136 -1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.650 8.145 -0.625 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.164 8.756 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 65 75.748 5.523 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.254 4.911 -0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.169 6.171 -2.204 1.00 0.00 H new ATOM 1055 N LEU A 66 71.821 9.972 1.650 1.00 0.00 N ATOM 1056 CA LEU A 66 70.448 10.447 2.008 1.00 0.00 C ATOM 1057 C LEU A 66 69.514 10.286 0.804 1.00 0.00 C ATOM 1058 O LEU A 66 69.881 10.589 -0.317 1.00 0.00 O ATOM 1059 CB LEU A 66 70.614 11.927 2.368 1.00 0.00 C ATOM 1060 CG LEU A 66 69.297 12.476 2.922 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.043 11.895 4.315 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.382 14.001 3.015 1.00 0.00 C ATOM 0 H LEU A 66 72.434 10.687 1.258 1.00 0.00 H new ATOM 0 HA LEU A 66 70.014 9.880 2.832 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.407 12.044 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.913 12.494 1.486 1.00 0.00 H new ATOM 0 HG LEU A 66 68.480 12.194 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.105 12.287 4.707 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.983 10.809 4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.860 12.175 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.445 14.394 3.409 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.201 14.280 3.679 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.561 14.417 2.023 1.00 0.00 H new ATOM 1074 N PHE A 67 68.314 9.812 1.030 1.00 0.00 N ATOM 1075 CA PHE A 67 67.390 9.519 -0.108 1.00 0.00 C ATOM 1076 C PHE A 67 65.972 10.005 0.210 1.00 0.00 C ATOM 1077 O PHE A 67 65.433 9.723 1.263 1.00 0.00 O ATOM 1078 CB PHE A 67 67.411 7.995 -0.245 1.00 0.00 C ATOM 1079 CG PHE A 67 68.485 7.475 -1.174 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.687 8.078 -2.438 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.275 6.365 -0.785 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.675 7.573 -3.313 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.268 5.862 -1.660 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.468 6.465 -2.924 1.00 0.00 C ATOM 0 H PHE A 67 67.934 9.615 1.956 1.00 0.00 H new ATOM 0 HA PHE A 67 67.696 10.022 -1.025 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.554 7.554 0.741 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.439 7.660 -0.607 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.086 8.925 -2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.120 5.903 0.179 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.826 8.032 -4.279 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.873 5.018 -1.362 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.225 6.081 -3.592 1.00 0.00 H new ATOM 1094 N ARG A 68 65.370 10.735 -0.699 1.00 0.00 N ATOM 1095 CA ARG A 68 63.933 11.118 -0.533 1.00 0.00 C ATOM 1096 C ARG A 68 63.025 10.080 -1.203 1.00 0.00 C ATOM 1097 O ARG A 68 63.382 9.477 -2.203 1.00 0.00 O ATOM 1098 CB ARG A 68 63.795 12.476 -1.229 1.00 0.00 C ATOM 1099 CG ARG A 68 64.600 13.529 -0.463 1.00 0.00 C ATOM 1100 CD ARG A 68 64.366 14.910 -1.087 1.00 0.00 C ATOM 1101 NE ARG A 68 64.951 14.831 -2.466 1.00 0.00 N ATOM 1102 CZ ARG A 68 64.644 15.716 -3.396 1.00 0.00 C ATOM 1103 NH1 ARG A 68 63.818 16.709 -3.156 1.00 0.00 N ATOM 1104 NH2 ARG A 68 65.176 15.603 -4.582 1.00 0.00 N ATOM 0 H ARG A 68 65.813 11.082 -1.550 1.00 0.00 H new ATOM 0 HA ARG A 68 63.642 11.167 0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.152 12.407 -2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.746 12.768 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.302 13.537 0.585 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.661 13.281 -0.491 1.00 0.00 H new ATOM 0 HD2 ARG A 68 63.303 15.149 -1.125 1.00 0.00 H new ATOM 0 HD3 ARG A 68 64.848 15.692 -0.501 1.00 0.00 H new ATOM 0 HE ARG A 68 65.600 14.077 -2.690 1.00 0.00 H new ATOM 0 HH11 ARG A 68 63.397 16.810 -2.233 1.00 0.00 H new ATOM 0 HH12 ARG A 68 63.598 17.379 -3.893 1.00 0.00 H new ATOM 0 HH21 ARG A 68 65.820 14.838 -4.781 1.00 0.00 H new ATOM 0 HH22 ARG A 68 64.948 16.280 -5.310 1.00 0.00 H new ATOM 1118 N GLY A 69 61.849 9.866 -0.660 1.00 0.00 N ATOM 1119 CA GLY A 69 60.897 8.878 -1.263 1.00 0.00 C ATOM 1120 C GLY A 69 60.561 9.270 -2.711 1.00 0.00 C ATOM 1121 O GLY A 69 60.231 8.428 -3.526 1.00 0.00 O ATOM 0 H GLY A 69 61.506 10.335 0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.337 7.881 -1.243 1.00 0.00 H new ATOM 0 HA3 GLY A 69 59.983 8.836 -0.670 1.00 0.00 H new ATOM 1125 N SER A 70 60.642 10.541 -3.033 1.00 0.00 N ATOM 1126 CA SER A 70 60.279 11.001 -4.415 1.00 0.00 C ATOM 1127 C SER A 70 61.254 10.435 -5.455 1.00 0.00 C ATOM 1128 O SER A 70 60.854 10.051 -6.540 1.00 0.00 O ATOM 1129 CB SER A 70 60.374 12.526 -4.373 1.00 0.00 C ATOM 1130 OG SER A 70 59.548 13.021 -3.327 1.00 0.00 O ATOM 0 H SER A 70 60.944 11.280 -2.399 1.00 0.00 H new ATOM 0 HA SER A 70 59.284 10.660 -4.701 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.407 12.833 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.062 12.947 -5.329 1.00 0.00 H new ATOM 0 HG SER A 70 59.609 13.999 -3.297 1.00 0.00 H new ATOM 1136 N ASP A 71 62.526 10.379 -5.135 1.00 0.00 N ATOM 1137 CA ASP A 71 63.540 9.947 -6.152 1.00 0.00 C ATOM 1138 C ASP A 71 63.595 8.416 -6.251 1.00 0.00 C ATOM 1139 O ASP A 71 63.849 7.870 -7.308 1.00 0.00 O ATOM 1140 CB ASP A 71 64.885 10.528 -5.683 1.00 0.00 C ATOM 1141 CG ASP A 71 65.267 9.979 -4.303 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.574 8.802 -4.219 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.254 10.749 -3.357 1.00 0.00 O ATOM 0 H ASP A 71 62.905 10.613 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 71 63.286 10.307 -7.149 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.664 10.282 -6.405 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.821 11.615 -5.641 1.00 0.00 H new ATOM 1148 N ILE A 72 63.362 7.723 -5.162 1.00 0.00 N ATOM 1149 CA ILE A 72 63.350 6.226 -5.211 1.00 0.00 C ATOM 1150 C ILE A 72 61.906 5.708 -5.193 1.00 0.00 C ATOM 1151 O ILE A 72 61.057 6.221 -4.488 1.00 0.00 O ATOM 1152 CB ILE A 72 64.169 5.793 -3.980 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.659 5.888 -4.339 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.844 4.348 -3.569 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.479 6.168 -3.084 1.00 0.00 C ATOM 0 H ILE A 72 63.180 8.128 -4.244 1.00 0.00 H new ATOM 0 HA ILE A 72 63.784 5.815 -6.122 1.00 0.00 H new ATOM 0 HB ILE A 72 63.921 6.446 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 72 65.991 4.958 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.816 6.681 -5.071 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.439 4.075 -2.698 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.785 4.269 -3.324 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.077 3.674 -4.393 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.535 6.234 -3.346 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.156 7.110 -2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.333 5.360 -2.367 1.00 0.00 H new ATOM 1167 N LYS A 73 61.638 4.686 -5.971 1.00 0.00 N ATOM 1168 CA LYS A 73 60.227 4.283 -6.237 1.00 0.00 C ATOM 1169 C LYS A 73 59.855 2.997 -5.488 1.00 0.00 C ATOM 1170 O LYS A 73 58.685 2.720 -5.294 1.00 0.00 O ATOM 1171 CB LYS A 73 60.162 4.057 -7.747 1.00 0.00 C ATOM 1172 CG LYS A 73 58.703 3.903 -8.182 1.00 0.00 C ATOM 1173 CD LYS A 73 58.643 3.637 -9.687 1.00 0.00 C ATOM 1174 CE LYS A 73 57.184 3.662 -10.151 1.00 0.00 C ATOM 1175 NZ LYS A 73 56.859 5.105 -10.324 1.00 0.00 N ATOM 0 H LYS A 73 62.343 4.113 -6.434 1.00 0.00 H new ATOM 0 HA LYS A 73 59.525 5.044 -5.896 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.621 4.896 -8.270 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.728 3.165 -8.016 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.235 3.082 -7.638 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.143 4.806 -7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.220 4.390 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.092 2.670 -9.915 1.00 0.00 H new ATOM 0 HE2 LYS A 73 57.057 3.114 -11.085 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.528 3.195 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 55.923 5.302 -9.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 57.576 5.683 -9.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 56.850 5.340 -11.337 1.00 0.00 H new ATOM 1189 N ASP A 74 60.820 2.205 -5.062 1.00 0.00 N ATOM 1190 CA ASP A 74 60.458 0.929 -4.363 1.00 0.00 C ATOM 1191 C ASP A 74 61.531 0.525 -3.347 1.00 0.00 C ATOM 1192 O ASP A 74 62.711 0.547 -3.632 1.00 0.00 O ATOM 1193 CB ASP A 74 60.340 -0.117 -5.472 1.00 0.00 C ATOM 1194 CG ASP A 74 59.727 -1.399 -4.906 1.00 0.00 C ATOM 1195 OD1 ASP A 74 58.511 -1.466 -4.824 1.00 0.00 O ATOM 1196 OD2 ASP A 74 60.484 -2.293 -4.564 1.00 0.00 O ATOM 0 H ASP A 74 61.819 2.384 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 74 59.532 1.033 -3.797 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.721 0.267 -6.283 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.323 -0.327 -5.893 1.00 0.00 H new ATOM 1201 N ILE A 75 61.110 0.157 -2.158 1.00 0.00 N ATOM 1202 CA ILE A 75 62.067 -0.336 -1.120 1.00 0.00 C ATOM 1203 C ILE A 75 61.530 -1.632 -0.490 1.00 0.00 C ATOM 1204 O ILE A 75 60.349 -1.751 -0.219 1.00 0.00 O ATOM 1205 CB ILE A 75 62.153 0.802 -0.084 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.157 0.426 1.013 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.780 1.057 0.552 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.523 1.672 1.821 1.00 0.00 C ATOM 0 H ILE A 75 60.134 0.178 -1.862 1.00 0.00 H new ATOM 0 HA ILE A 75 63.050 -0.573 -1.528 1.00 0.00 H new ATOM 0 HB ILE A 75 62.481 1.709 -0.592 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.728 -0.332 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.053 -0.007 0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.861 1.864 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.067 1.338 -0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.436 0.151 1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.236 1.404 2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 75 63.969 2.416 1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.624 2.086 2.279 1.00 0.00 H new ATOM 1220 N ARG A 76 62.389 -2.596 -0.258 1.00 0.00 N ATOM 1221 CA ARG A 76 61.933 -3.886 0.350 1.00 0.00 C ATOM 1222 C ARG A 76 63.033 -4.476 1.241 1.00 0.00 C ATOM 1223 O ARG A 76 64.208 -4.339 0.960 1.00 0.00 O ATOM 1224 CB ARG A 76 61.651 -4.812 -0.835 1.00 0.00 C ATOM 1225 CG ARG A 76 60.438 -4.297 -1.613 1.00 0.00 C ATOM 1226 CD ARG A 76 59.997 -5.351 -2.634 1.00 0.00 C ATOM 1227 NE ARG A 76 61.103 -5.418 -3.644 1.00 0.00 N ATOM 1228 CZ ARG A 76 60.927 -5.992 -4.819 1.00 0.00 C ATOM 1229 NH1 ARG A 76 59.778 -6.535 -5.155 1.00 0.00 N ATOM 1230 NH2 ARG A 76 61.918 -6.024 -5.666 1.00 0.00 N ATOM 0 H ARG A 76 63.387 -2.545 -0.464 1.00 0.00 H new ATOM 0 HA ARG A 76 61.053 -3.751 0.980 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.522 -4.858 -1.489 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.465 -5.826 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.620 -4.076 -0.927 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.688 -3.366 -2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 76 59.842 -6.319 -2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.053 -5.072 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 76 62.011 -5.011 -3.418 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.996 -6.519 -4.501 1.00 0.00 H new ATOM 0 HH12 ARG A 76 59.669 -6.972 -6.070 1.00 0.00 H new ATOM 0 HH21 ARG A 76 62.816 -5.608 -5.417 1.00 0.00 H new ATOM 0 HH22 ARG A 76 61.796 -6.465 -6.578 1.00 0.00 H new ATOM 1244 N VAL A 77 62.653 -5.131 2.312 1.00 0.00 N ATOM 1245 CA VAL A 77 63.670 -5.751 3.226 1.00 0.00 C ATOM 1246 C VAL A 77 64.071 -7.140 2.713 1.00 0.00 C ATOM 1247 O VAL A 77 63.269 -7.847 2.129 1.00 0.00 O ATOM 1248 CB VAL A 77 63.004 -5.846 4.613 1.00 0.00 C ATOM 1249 CG1 VAL A 77 62.670 -4.440 5.118 1.00 0.00 C ATOM 1250 CG2 VAL A 77 61.712 -6.676 4.546 1.00 0.00 C ATOM 0 H VAL A 77 61.682 -5.264 2.595 1.00 0.00 H new ATOM 0 HA VAL A 77 64.582 -5.155 3.273 1.00 0.00 H new ATOM 0 HB VAL A 77 63.700 -6.335 5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 77 62.199 -4.508 6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 77 63.586 -3.854 5.195 1.00 0.00 H new ATOM 0 HG13 VAL A 77 61.987 -3.956 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 77 61.261 -6.728 5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 77 61.013 -6.206 3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.944 -7.683 4.200 1.00 0.00 H new ATOM 1260 N VAL A 78 65.306 -7.532 2.925 1.00 0.00 N ATOM 1261 CA VAL A 78 65.777 -8.862 2.419 1.00 0.00 C ATOM 1262 C VAL A 78 66.663 -9.543 3.468 1.00 0.00 C ATOM 1263 O VAL A 78 67.375 -8.890 4.207 1.00 0.00 O ATOM 1264 CB VAL A 78 66.569 -8.569 1.133 1.00 0.00 C ATOM 1265 CG1 VAL A 78 65.636 -7.962 0.083 1.00 0.00 C ATOM 1266 CG2 VAL A 78 67.712 -7.585 1.422 1.00 0.00 C ATOM 0 H VAL A 78 66.008 -6.988 3.427 1.00 0.00 H new ATOM 0 HA VAL A 78 64.946 -9.538 2.220 1.00 0.00 H new ATOM 0 HB VAL A 78 66.988 -9.503 0.760 1.00 0.00 H new ATOM 0 HG11 VAL A 78 66.199 -7.755 -0.827 1.00 0.00 H new ATOM 0 HG12 VAL A 78 64.832 -8.664 -0.139 1.00 0.00 H new ATOM 0 HG13 VAL A 78 65.212 -7.034 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 78 68.263 -7.387 0.503 1.00 0.00 H new ATOM 0 HG22 VAL A 78 67.300 -6.652 1.806 1.00 0.00 H new ATOM 0 HG23 VAL A 78 68.385 -8.017 2.163 1.00 0.00 H new