USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=17 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= 1.02 X(o=2.3,f=1.8) USER MOD Set 1.2: A 62 TYR OH : rot 1:sc= 1.23 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 130:sc= 0.909 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -95:sc= -0.16 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 170:sc= -0.38 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 1:sc= 1.65 USER MOD Single : A 43 SER OG : rot 20:sc= 0.21! USER MOD Single : A 46 THR OG1 : rot -160:sc= 0.00346 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0917 K(o=-0.092,f=-1.2) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 64 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 137 N LEU A 8 66.960 -2.241 13.876 1.00 0.00 N ATOM 138 CA LEU A 8 67.921 -1.264 13.263 1.00 0.00 C ATOM 139 C LEU A 8 69.103 -2.000 12.622 1.00 0.00 C ATOM 140 O LEU A 8 69.483 -3.072 13.055 1.00 0.00 O ATOM 141 CB LEU A 8 68.414 -0.398 14.429 1.00 0.00 C ATOM 142 CG LEU A 8 67.248 0.407 15.007 1.00 0.00 C ATOM 143 CD1 LEU A 8 67.678 1.057 16.323 1.00 0.00 C ATOM 144 CD2 LEU A 8 66.838 1.499 14.015 1.00 0.00 C ATOM 0 HA LEU A 8 67.448 -0.672 12.479 1.00 0.00 H new ATOM 0 HB2 LEU A 8 68.851 -1.029 15.203 1.00 0.00 H new ATOM 0 HB3 LEU A 8 69.199 0.276 14.087 1.00 0.00 H new ATOM 0 HG LEU A 8 66.404 -0.259 15.187 1.00 0.00 H new ATOM 0 HD11 LEU A 8 66.847 1.630 16.734 1.00 0.00 H new ATOM 0 HD12 LEU A 8 67.971 0.283 17.032 1.00 0.00 H new ATOM 0 HD13 LEU A 8 68.523 1.722 16.142 1.00 0.00 H new ATOM 0 HD21 LEU A 8 66.007 2.072 14.427 1.00 0.00 H new ATOM 0 HD22 LEU A 8 67.683 2.163 13.835 1.00 0.00 H new ATOM 0 HD23 LEU A 8 66.531 1.040 13.075 1.00 0.00 H new ATOM 156 N GLY A 9 69.680 -1.429 11.591 1.00 0.00 N ATOM 157 CA GLY A 9 70.872 -2.059 10.943 1.00 0.00 C ATOM 158 C GLY A 9 70.467 -3.168 9.959 1.00 0.00 C ATOM 159 O GLY A 9 71.316 -3.762 9.318 1.00 0.00 O ATOM 0 H GLY A 9 69.375 -0.551 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 9 71.445 -1.296 10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 9 71.526 -2.474 11.710 1.00 0.00 H new ATOM 163 N SER A 10 69.189 -3.458 9.828 1.00 0.00 N ATOM 164 CA SER A 10 68.749 -4.539 8.881 1.00 0.00 C ATOM 165 C SER A 10 69.155 -4.191 7.445 1.00 0.00 C ATOM 166 O SER A 10 69.207 -3.033 7.073 1.00 0.00 O ATOM 167 CB SER A 10 67.224 -4.589 9.002 1.00 0.00 C ATOM 168 OG SER A 10 66.870 -5.029 10.307 1.00 0.00 O ATOM 0 H SER A 10 68.435 -2.994 10.334 1.00 0.00 H new ATOM 0 HA SER A 10 69.209 -5.498 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 10 66.800 -3.603 8.811 1.00 0.00 H new ATOM 0 HB3 SER A 10 66.810 -5.265 8.253 1.00 0.00 H new ATOM 0 HG SER A 10 65.894 -5.060 10.388 1.00 0.00 H new ATOM 174 N LYS A 11 69.445 -5.187 6.642 1.00 0.00 N ATOM 175 CA LYS A 11 69.845 -4.920 5.223 1.00 0.00 C ATOM 176 C LYS A 11 68.604 -4.693 4.347 1.00 0.00 C ATOM 177 O LYS A 11 67.705 -5.516 4.299 1.00 0.00 O ATOM 178 CB LYS A 11 70.635 -6.165 4.771 1.00 0.00 C ATOM 179 CG LYS A 11 69.732 -7.407 4.727 1.00 0.00 C ATOM 180 CD LYS A 11 70.594 -8.658 4.548 1.00 0.00 C ATOM 181 CE LYS A 11 71.145 -8.702 3.122 1.00 0.00 C ATOM 182 NZ LYS A 11 71.819 -10.026 3.010 1.00 0.00 N ATOM 0 H LYS A 11 69.422 -6.172 6.907 1.00 0.00 H new ATOM 0 HA LYS A 11 70.451 -4.018 5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 11 71.065 -5.989 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 11 71.466 -6.340 5.454 1.00 0.00 H new ATOM 0 HG2 LYS A 11 69.152 -7.481 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 11 69.019 -7.323 3.906 1.00 0.00 H new ATOM 0 HD2 LYS A 11 71.414 -8.652 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 11 70.002 -9.551 4.748 1.00 0.00 H new ATOM 0 HE2 LYS A 11 70.346 -8.602 2.387 1.00 0.00 H new ATOM 0 HE3 LYS A 11 71.846 -7.886 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 72.223 -10.130 2.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 72.579 -10.090 3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 71.126 -10.783 3.177 1.00 0.00 H new ATOM 196 N ILE A 12 68.553 -3.579 3.655 1.00 0.00 N ATOM 197 CA ILE A 12 67.385 -3.292 2.764 1.00 0.00 C ATOM 198 C ILE A 12 67.861 -3.103 1.320 1.00 0.00 C ATOM 199 O ILE A 12 68.932 -2.577 1.070 1.00 0.00 O ATOM 200 CB ILE A 12 66.758 -1.998 3.311 1.00 0.00 C ATOM 201 CG1 ILE A 12 66.303 -2.221 4.761 1.00 0.00 C ATOM 202 CG2 ILE A 12 65.544 -1.610 2.457 1.00 0.00 C ATOM 203 CD1 ILE A 12 65.864 -0.889 5.376 1.00 0.00 C ATOM 0 H ILE A 12 69.272 -2.855 3.669 1.00 0.00 H new ATOM 0 HA ILE A 12 66.663 -4.108 2.755 1.00 0.00 H new ATOM 0 HB ILE A 12 67.499 -1.199 3.276 1.00 0.00 H new ATOM 0 HG12 ILE A 12 65.479 -2.934 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 12 67.116 -2.652 5.345 1.00 0.00 H new ATOM 0 HG21 ILE A 12 65.103 -0.693 2.847 1.00 0.00 H new ATOM 0 HG22 ILE A 12 65.860 -1.450 1.426 1.00 0.00 H new ATOM 0 HG23 ILE A 12 64.805 -2.411 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 12 65.542 -1.052 6.405 1.00 0.00 H new ATOM 0 HD12 ILE A 12 66.700 -0.190 5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 12 65.037 -0.476 4.798 1.00 0.00 H new ATOM 215 N SER A 13 67.061 -3.535 0.375 1.00 0.00 N ATOM 216 CA SER A 13 67.378 -3.311 -1.065 1.00 0.00 C ATOM 217 C SER A 13 66.514 -2.168 -1.606 1.00 0.00 C ATOM 218 O SER A 13 65.334 -2.089 -1.319 1.00 0.00 O ATOM 219 CB SER A 13 67.031 -4.626 -1.761 1.00 0.00 C ATOM 220 OG SER A 13 67.414 -4.550 -3.127 1.00 0.00 O ATOM 0 H SER A 13 66.191 -4.040 0.546 1.00 0.00 H new ATOM 0 HA SER A 13 68.420 -3.036 -1.228 1.00 0.00 H new ATOM 0 HB2 SER A 13 67.544 -5.455 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 13 65.962 -4.822 -1.682 1.00 0.00 H new ATOM 0 HG SER A 13 67.194 -5.393 -3.576 1.00 0.00 H new ATOM 226 N LEU A 14 67.096 -1.291 -2.380 1.00 0.00 N ATOM 227 CA LEU A 14 66.396 -0.027 -2.759 1.00 0.00 C ATOM 228 C LEU A 14 66.526 0.219 -4.268 1.00 0.00 C ATOM 229 O LEU A 14 67.616 0.257 -4.800 1.00 0.00 O ATOM 230 CB LEU A 14 67.133 1.054 -1.966 1.00 0.00 C ATOM 231 CG LEU A 14 66.264 2.306 -1.840 1.00 0.00 C ATOM 232 CD1 LEU A 14 65.073 2.016 -0.923 1.00 0.00 C ATOM 233 CD2 LEU A 14 67.100 3.438 -1.240 1.00 0.00 C ATOM 0 H LEU A 14 68.033 -1.396 -2.769 1.00 0.00 H new ATOM 0 HA LEU A 14 65.328 -0.048 -2.541 1.00 0.00 H new ATOM 0 HB2 LEU A 14 67.387 0.678 -0.975 1.00 0.00 H new ATOM 0 HB3 LEU A 14 68.071 1.303 -2.462 1.00 0.00 H new ATOM 0 HG LEU A 14 65.899 2.597 -2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.455 2.910 -0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 14 64.479 1.205 -1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 65.435 1.727 0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 14 66.486 4.334 -1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 14 67.460 3.142 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 14 67.950 3.646 -1.890 1.00 0.00 H new ATOM 245 N ILE A 15 65.420 0.386 -4.953 1.00 0.00 N ATOM 246 CA ILE A 15 65.471 0.610 -6.434 1.00 0.00 C ATOM 247 C ILE A 15 65.174 2.084 -6.744 1.00 0.00 C ATOM 248 O ILE A 15 64.099 2.584 -6.441 1.00 0.00 O ATOM 249 CB ILE A 15 64.380 -0.304 -7.021 1.00 0.00 C ATOM 250 CG1 ILE A 15 64.676 -1.766 -6.662 1.00 0.00 C ATOM 251 CG2 ILE A 15 64.352 -0.163 -8.549 1.00 0.00 C ATOM 252 CD1 ILE A 15 63.456 -2.632 -6.988 1.00 0.00 C ATOM 0 H ILE A 15 64.483 0.377 -4.551 1.00 0.00 H new ATOM 0 HA ILE A 15 66.450 0.383 -6.857 1.00 0.00 H new ATOM 0 HB ILE A 15 63.415 -0.012 -6.606 1.00 0.00 H new ATOM 0 HG12 ILE A 15 65.544 -2.119 -7.218 1.00 0.00 H new ATOM 0 HG13 ILE A 15 64.921 -1.849 -5.603 1.00 0.00 H new ATOM 0 HG21 ILE A 15 63.578 -0.812 -8.960 1.00 0.00 H new ATOM 0 HG22 ILE A 15 64.137 0.872 -8.815 1.00 0.00 H new ATOM 0 HG23 ILE A 15 65.321 -0.449 -8.959 1.00 0.00 H new ATOM 0 HD11 ILE A 15 63.668 -3.670 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 15 62.599 -2.284 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 15 63.232 -2.559 -8.052 1.00 0.00 H new ATOM 264 N SER A 16 66.121 2.771 -7.343 1.00 0.00 N ATOM 265 CA SER A 16 65.953 4.234 -7.622 1.00 0.00 C ATOM 266 C SER A 16 65.382 4.470 -9.027 1.00 0.00 C ATOM 267 O SER A 16 65.507 3.634 -9.907 1.00 0.00 O ATOM 268 CB SER A 16 67.365 4.813 -7.527 1.00 0.00 C ATOM 269 OG SER A 16 67.872 4.598 -6.217 1.00 0.00 O ATOM 0 H SER A 16 67.009 2.377 -7.652 1.00 0.00 H new ATOM 0 HA SER A 16 65.258 4.699 -6.923 1.00 0.00 H new ATOM 0 HB2 SER A 16 68.015 4.340 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 16 67.350 5.879 -7.753 1.00 0.00 H new ATOM 0 HG SER A 16 68.761 4.190 -6.273 1.00 0.00 H new ATOM 275 N LYS A 17 64.774 5.623 -9.236 1.00 0.00 N ATOM 276 CA LYS A 17 64.013 5.904 -10.509 1.00 0.00 C ATOM 277 C LYS A 17 64.861 5.665 -11.771 1.00 0.00 C ATOM 278 O LYS A 17 64.329 5.595 -12.864 1.00 0.00 O ATOM 279 CB LYS A 17 63.627 7.384 -10.418 1.00 0.00 C ATOM 280 CG LYS A 17 62.620 7.722 -11.520 1.00 0.00 C ATOM 281 CD LYS A 17 62.286 9.215 -11.467 1.00 0.00 C ATOM 282 CE LYS A 17 61.167 9.523 -12.463 1.00 0.00 C ATOM 283 NZ LYS A 17 60.604 10.828 -12.016 1.00 0.00 N ATOM 0 H LYS A 17 64.773 6.394 -8.568 1.00 0.00 H new ATOM 0 HA LYS A 17 63.155 5.237 -10.597 1.00 0.00 H new ATOM 0 HB2 LYS A 17 63.196 7.598 -9.440 1.00 0.00 H new ATOM 0 HB3 LYS A 17 64.515 8.008 -10.519 1.00 0.00 H new ATOM 0 HG2 LYS A 17 63.033 7.465 -12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.713 7.131 -11.392 1.00 0.00 H new ATOM 0 HD2 LYS A 17 61.978 9.494 -10.459 1.00 0.00 H new ATOM 0 HD3 LYS A 17 63.171 9.805 -11.704 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.551 9.586 -13.481 1.00 0.00 H new ATOM 0 HE3 LYS A 17 60.407 8.742 -12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 59.829 11.108 -12.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 60.240 10.735 -11.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 61.349 11.553 -12.039 1.00 0.00 H new ATOM 297 N ALA A 18 66.160 5.539 -11.638 1.00 0.00 N ATOM 298 CA ALA A 18 67.021 5.287 -12.835 1.00 0.00 C ATOM 299 C ALA A 18 67.165 3.779 -13.083 1.00 0.00 C ATOM 300 O ALA A 18 68.082 3.344 -13.753 1.00 0.00 O ATOM 301 CB ALA A 18 68.378 5.901 -12.481 1.00 0.00 C ATOM 0 H ALA A 18 66.661 5.600 -10.751 1.00 0.00 H new ATOM 0 HA ALA A 18 66.599 5.718 -13.743 1.00 0.00 H new ATOM 0 HB1 ALA A 18 69.070 5.758 -13.311 1.00 0.00 H new ATOM 0 HB2 ALA A 18 68.256 6.967 -12.290 1.00 0.00 H new ATOM 0 HB3 ALA A 18 68.776 5.416 -11.590 1.00 0.00 H new ATOM 307 N ASP A 19 66.261 2.976 -12.546 1.00 0.00 N ATOM 308 CA ASP A 19 66.381 1.483 -12.644 1.00 0.00 C ATOM 309 C ASP A 19 67.744 1.036 -12.111 1.00 0.00 C ATOM 310 O ASP A 19 68.340 0.095 -12.604 1.00 0.00 O ATOM 311 CB ASP A 19 66.225 1.135 -14.131 1.00 0.00 C ATOM 312 CG ASP A 19 64.817 1.509 -14.597 1.00 0.00 C ATOM 313 OD1 ASP A 19 63.913 0.717 -14.382 1.00 0.00 O ATOM 314 OD2 ASP A 19 64.665 2.581 -15.159 1.00 0.00 O ATOM 0 H ASP A 19 65.438 3.301 -12.039 1.00 0.00 H new ATOM 0 HA ASP A 19 65.622 0.974 -12.050 1.00 0.00 H new ATOM 0 HB2 ASP A 19 66.969 1.670 -14.721 1.00 0.00 H new ATOM 0 HB3 ASP A 19 66.400 0.071 -14.287 1.00 0.00 H new ATOM 319 N ILE A 20 68.232 1.716 -11.102 1.00 0.00 N ATOM 320 CA ILE A 20 69.541 1.332 -10.488 1.00 0.00 C ATOM 321 C ILE A 20 69.281 0.603 -9.171 1.00 0.00 C ATOM 322 O ILE A 20 68.356 0.933 -8.452 1.00 0.00 O ATOM 323 CB ILE A 20 70.295 2.647 -10.227 1.00 0.00 C ATOM 324 CG1 ILE A 20 70.410 3.458 -11.528 1.00 0.00 C ATOM 325 CG2 ILE A 20 71.701 2.326 -9.701 1.00 0.00 C ATOM 326 CD1 ILE A 20 71.023 4.833 -11.233 1.00 0.00 C ATOM 0 H ILE A 20 67.778 2.524 -10.676 1.00 0.00 H new ATOM 0 HA ILE A 20 70.119 0.672 -11.135 1.00 0.00 H new ATOM 0 HB ILE A 20 69.747 3.234 -9.490 1.00 0.00 H new ATOM 0 HG12 ILE A 20 71.028 2.921 -12.248 1.00 0.00 H new ATOM 0 HG13 ILE A 20 69.426 3.578 -11.980 1.00 0.00 H new ATOM 0 HG21 ILE A 20 72.240 3.255 -9.514 1.00 0.00 H new ATOM 0 HG22 ILE A 20 71.622 1.759 -8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 20 72.241 1.736 -10.442 1.00 0.00 H new ATOM 0 HD11 ILE A 20 71.102 5.403 -12.159 1.00 0.00 H new ATOM 0 HD12 ILE A 20 70.388 5.371 -10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 20 72.015 4.704 -10.801 1.00 0.00 H new ATOM 338 N ARG A 21 70.085 -0.377 -8.849 1.00 0.00 N ATOM 339 CA ARG A 21 69.872 -1.127 -7.578 1.00 0.00 C ATOM 340 C ARG A 21 70.918 -0.710 -6.540 1.00 0.00 C ATOM 341 O ARG A 21 72.109 -0.863 -6.745 1.00 0.00 O ATOM 342 CB ARG A 21 70.038 -2.601 -7.952 1.00 0.00 C ATOM 343 CG ARG A 21 69.620 -3.481 -6.771 1.00 0.00 C ATOM 344 CD ARG A 21 69.890 -4.951 -7.105 1.00 0.00 C ATOM 345 NE ARG A 21 68.941 -5.282 -8.216 1.00 0.00 N ATOM 346 CZ ARG A 21 67.655 -5.480 -7.991 1.00 0.00 C ATOM 347 NH1 ARG A 21 67.142 -5.383 -6.785 1.00 0.00 N ATOM 348 NH2 ARG A 21 66.873 -5.776 -8.992 1.00 0.00 N ATOM 0 H ARG A 21 70.878 -0.689 -9.410 1.00 0.00 H new ATOM 0 HA ARG A 21 68.894 -0.930 -7.139 1.00 0.00 H new ATOM 0 HB2 ARG A 21 69.430 -2.835 -8.826 1.00 0.00 H new ATOM 0 HB3 ARG A 21 71.075 -2.804 -8.221 1.00 0.00 H new ATOM 0 HG2 ARG A 21 70.173 -3.193 -5.877 1.00 0.00 H new ATOM 0 HG3 ARG A 21 68.562 -3.336 -6.553 1.00 0.00 H new ATOM 0 HD2 ARG A 21 70.925 -5.101 -7.413 1.00 0.00 H new ATOM 0 HD3 ARG A 21 69.720 -5.590 -6.238 1.00 0.00 H new ATOM 0 HE ARG A 21 69.297 -5.356 -9.169 1.00 0.00 H new ATOM 0 HH11 ARG A 21 67.741 -5.149 -5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 21 66.145 -5.541 -6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 21 67.257 -5.852 -9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 21 65.878 -5.932 -8.833 1.00 0.00 H new ATOM 362 N TYR A 22 70.467 -0.187 -5.429 1.00 0.00 N ATOM 363 CA TYR A 22 71.386 0.146 -4.302 1.00 0.00 C ATOM 364 C TYR A 22 71.059 -0.754 -3.111 1.00 0.00 C ATOM 365 O TYR A 22 69.929 -1.164 -2.937 1.00 0.00 O ATOM 366 CB TYR A 22 71.079 1.603 -3.955 1.00 0.00 C ATOM 367 CG TYR A 22 71.504 2.600 -5.010 1.00 0.00 C ATOM 368 CD1 TYR A 22 72.800 3.168 -4.961 1.00 0.00 C ATOM 369 CD2 TYR A 22 70.605 2.972 -6.043 1.00 0.00 C ATOM 370 CE1 TYR A 22 73.199 4.108 -5.943 1.00 0.00 C ATOM 371 CE2 TYR A 22 71.006 3.912 -7.027 1.00 0.00 C ATOM 372 CZ TYR A 22 72.302 4.479 -6.976 1.00 0.00 C ATOM 373 OH TYR A 22 72.693 5.396 -7.931 1.00 0.00 O ATOM 0 H TYR A 22 69.485 0.026 -5.254 1.00 0.00 H new ATOM 0 HA TYR A 22 72.436 0.003 -4.558 1.00 0.00 H new ATOM 0 HB2 TYR A 22 70.007 1.705 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 22 71.574 1.852 -3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 22 73.484 2.885 -4.175 1.00 0.00 H new ATOM 0 HD2 TYR A 22 69.616 2.540 -6.080 1.00 0.00 H new ATOM 0 HE1 TYR A 22 74.187 4.542 -5.905 1.00 0.00 H new ATOM 0 HE2 TYR A 22 70.323 4.195 -7.814 1.00 0.00 H new ATOM 0 HH TYR A 22 71.961 5.538 -8.567 1.00 0.00 H new ATOM 383 N GLU A 23 72.031 -1.065 -2.295 1.00 0.00 N ATOM 384 CA GLU A 23 71.749 -1.868 -1.065 1.00 0.00 C ATOM 385 C GLU A 23 72.597 -1.349 0.092 1.00 0.00 C ATOM 386 O GLU A 23 73.749 -1.011 -0.092 1.00 0.00 O ATOM 387 CB GLU A 23 72.154 -3.299 -1.429 1.00 0.00 C ATOM 388 CG GLU A 23 71.721 -4.254 -0.313 1.00 0.00 C ATOM 389 CD GLU A 23 72.240 -5.663 -0.614 1.00 0.00 C ATOM 390 OE1 GLU A 23 73.385 -5.779 -1.021 1.00 0.00 O ATOM 391 OE2 GLU A 23 71.484 -6.602 -0.431 1.00 0.00 O ATOM 0 H GLU A 23 73.007 -0.799 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 23 70.706 -1.809 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 23 71.690 -3.591 -2.371 1.00 0.00 H new ATOM 0 HB3 GLU A 23 73.233 -3.357 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 23 72.109 -3.909 0.646 1.00 0.00 H new ATOM 0 HG3 GLU A 23 70.634 -4.265 -0.231 1.00 0.00 H new ATOM 398 N GLY A 24 72.043 -1.290 1.278 1.00 0.00 N ATOM 399 CA GLY A 24 72.806 -0.699 2.422 1.00 0.00 C ATOM 400 C GLY A 24 72.087 -0.970 3.745 1.00 0.00 C ATOM 401 O GLY A 24 70.980 -1.479 3.770 1.00 0.00 O ATOM 0 H GLY A 24 71.105 -1.622 1.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 73.810 -1.122 2.454 1.00 0.00 H new ATOM 0 HA3 GLY A 24 72.917 0.375 2.276 1.00 0.00 H new ATOM 405 N ARG A 25 72.720 -0.632 4.845 1.00 0.00 N ATOM 406 CA ARG A 25 72.091 -0.856 6.186 1.00 0.00 C ATOM 407 C ARG A 25 71.178 0.317 6.556 1.00 0.00 C ATOM 408 O ARG A 25 71.531 1.468 6.372 1.00 0.00 O ATOM 409 CB ARG A 25 73.264 -0.943 7.167 1.00 0.00 C ATOM 410 CG ARG A 25 74.079 -2.206 6.883 1.00 0.00 C ATOM 411 CD ARG A 25 75.179 -2.354 7.938 1.00 0.00 C ATOM 412 NE ARG A 25 76.031 -3.494 7.467 1.00 0.00 N ATOM 413 CZ ARG A 25 76.868 -4.109 8.282 1.00 0.00 C ATOM 414 NH1 ARG A 25 76.999 -3.748 9.538 1.00 0.00 N ATOM 415 NH2 ARG A 25 77.586 -5.098 7.827 1.00 0.00 N ATOM 0 H ARG A 25 73.648 -0.209 4.871 1.00 0.00 H new ATOM 0 HA ARG A 25 71.474 -1.754 6.200 1.00 0.00 H new ATOM 0 HB2 ARG A 25 73.897 -0.061 7.072 1.00 0.00 H new ATOM 0 HB3 ARG A 25 72.893 -0.960 8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 25 73.429 -3.081 6.895 1.00 0.00 H new ATOM 0 HG3 ARG A 25 74.520 -2.150 5.888 1.00 0.00 H new ATOM 0 HD2 ARG A 25 75.763 -1.438 8.028 1.00 0.00 H new ATOM 0 HD3 ARG A 25 74.756 -2.560 8.921 1.00 0.00 H new ATOM 0 HE ARG A 25 75.963 -3.801 6.497 1.00 0.00 H new ATOM 0 HH11 ARG A 25 76.446 -2.974 9.907 1.00 0.00 H new ATOM 0 HH12 ARG A 25 77.654 -4.241 10.145 1.00 0.00 H new ATOM 0 HH21 ARG A 25 77.497 -5.387 6.853 1.00 0.00 H new ATOM 0 HH22 ARG A 25 78.237 -5.582 8.445 1.00 0.00 H new ATOM 429 N LEU A 26 70.009 0.031 7.077 1.00 0.00 N ATOM 430 CA LEU A 26 69.102 1.128 7.554 1.00 0.00 C ATOM 431 C LEU A 26 69.713 1.850 8.759 1.00 0.00 C ATOM 432 O LEU A 26 69.962 1.248 9.788 1.00 0.00 O ATOM 433 CB LEU A 26 67.822 0.408 7.993 1.00 0.00 C ATOM 434 CG LEU A 26 66.726 1.436 8.285 1.00 0.00 C ATOM 435 CD1 LEU A 26 66.131 1.945 6.969 1.00 0.00 C ATOM 436 CD2 LEU A 26 65.625 0.781 9.123 1.00 0.00 C ATOM 0 H LEU A 26 69.642 -0.914 7.193 1.00 0.00 H new ATOM 0 HA LEU A 26 68.930 1.876 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 26 67.493 -0.277 7.212 1.00 0.00 H new ATOM 0 HB3 LEU A 26 68.017 -0.192 8.882 1.00 0.00 H new ATOM 0 HG LEU A 26 67.154 2.274 8.834 1.00 0.00 H new ATOM 0 HD11 LEU A 26 65.351 2.676 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 26 66.914 2.412 6.372 1.00 0.00 H new ATOM 0 HD13 LEU A 26 65.703 1.109 6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 26 64.844 1.512 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 26 65.199 -0.058 8.573 1.00 0.00 H new ATOM 0 HD23 LEU A 26 66.047 0.423 10.062 1.00 0.00 H new ATOM 448 N TYR A 27 69.958 3.131 8.638 1.00 0.00 N ATOM 449 CA TYR A 27 70.517 3.904 9.789 1.00 0.00 C ATOM 450 C TYR A 27 69.406 4.682 10.500 1.00 0.00 C ATOM 451 O TYR A 27 69.269 4.613 11.707 1.00 0.00 O ATOM 452 CB TYR A 27 71.533 4.864 9.171 1.00 0.00 C ATOM 453 CG TYR A 27 72.356 5.604 10.198 1.00 0.00 C ATOM 454 CD1 TYR A 27 73.064 4.884 11.191 1.00 0.00 C ATOM 455 CD2 TYR A 27 72.418 7.018 10.169 1.00 0.00 C ATOM 456 CE1 TYR A 27 73.834 5.578 12.156 1.00 0.00 C ATOM 457 CE2 TYR A 27 73.189 7.712 11.134 1.00 0.00 C ATOM 458 CZ TYR A 27 73.897 6.991 12.128 1.00 0.00 C ATOM 459 OH TYR A 27 74.647 7.669 13.068 1.00 0.00 O ATOM 0 H TYR A 27 69.795 3.675 7.791 1.00 0.00 H new ATOM 0 HA TYR A 27 70.974 3.254 10.535 1.00 0.00 H new ATOM 0 HB2 TYR A 27 72.200 4.304 8.516 1.00 0.00 H new ATOM 0 HB3 TYR A 27 71.007 5.587 8.547 1.00 0.00 H new ATOM 0 HD1 TYR A 27 73.017 3.805 11.212 1.00 0.00 H new ATOM 0 HD2 TYR A 27 71.878 7.567 9.412 1.00 0.00 H new ATOM 0 HE1 TYR A 27 74.373 5.028 12.913 1.00 0.00 H new ATOM 0 HE2 TYR A 27 73.237 8.791 11.112 1.00 0.00 H new ATOM 0 HH TYR A 27 74.582 8.633 12.905 1.00 0.00 H new ATOM 469 N THR A 28 68.611 5.419 9.757 1.00 0.00 N ATOM 470 CA THR A 28 67.525 6.237 10.385 1.00 0.00 C ATOM 471 C THR A 28 66.392 6.475 9.382 1.00 0.00 C ATOM 472 O THR A 28 66.595 6.430 8.183 1.00 0.00 O ATOM 473 CB THR A 28 68.185 7.567 10.768 1.00 0.00 C ATOM 474 OG1 THR A 28 68.979 8.032 9.686 1.00 0.00 O ATOM 475 CG2 THR A 28 69.065 7.372 12.004 1.00 0.00 C ATOM 0 H THR A 28 68.669 5.488 8.741 1.00 0.00 H new ATOM 0 HA THR A 28 67.089 5.737 11.250 1.00 0.00 H new ATOM 0 HB THR A 28 67.411 8.301 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 28 69.907 7.743 9.813 1.00 0.00 H new ATOM 0 HG21 THR A 28 69.532 8.320 12.272 1.00 0.00 H new ATOM 0 HG22 THR A 28 68.453 7.021 12.835 1.00 0.00 H new ATOM 0 HG23 THR A 28 69.839 6.635 11.787 1.00 0.00 H new ATOM 483 N VAL A 29 65.200 6.731 9.869 1.00 0.00 N ATOM 484 CA VAL A 29 64.036 6.957 8.956 1.00 0.00 C ATOM 485 C VAL A 29 63.126 8.059 9.524 1.00 0.00 C ATOM 486 O VAL A 29 62.975 8.189 10.724 1.00 0.00 O ATOM 487 CB VAL A 29 63.314 5.598 8.884 1.00 0.00 C ATOM 488 CG1 VAL A 29 62.786 5.198 10.267 1.00 0.00 C ATOM 489 CG2 VAL A 29 62.142 5.686 7.896 1.00 0.00 C ATOM 0 H VAL A 29 64.984 6.793 10.864 1.00 0.00 H new ATOM 0 HA VAL A 29 64.337 7.294 7.964 1.00 0.00 H new ATOM 0 HB VAL A 29 64.024 4.844 8.545 1.00 0.00 H new ATOM 0 HG11 VAL A 29 62.279 4.236 10.198 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.619 5.120 10.966 1.00 0.00 H new ATOM 0 HG13 VAL A 29 62.085 5.953 10.621 1.00 0.00 H new ATOM 0 HG21 VAL A 29 61.634 4.723 7.848 1.00 0.00 H new ATOM 0 HG22 VAL A 29 61.441 6.450 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.519 5.947 6.907 1.00 0.00 H new ATOM 499 N ASP A 30 62.525 8.849 8.665 1.00 0.00 N ATOM 500 CA ASP A 30 61.584 9.910 9.134 1.00 0.00 C ATOM 501 C ASP A 30 60.246 9.778 8.388 1.00 0.00 C ATOM 502 O ASP A 30 60.130 10.241 7.267 1.00 0.00 O ATOM 503 CB ASP A 30 62.272 11.230 8.781 1.00 0.00 C ATOM 504 CG ASP A 30 61.647 12.365 9.594 1.00 0.00 C ATOM 505 OD1 ASP A 30 60.434 12.490 9.564 1.00 0.00 O ATOM 506 OD2 ASP A 30 62.392 13.089 10.233 1.00 0.00 O ATOM 0 H ASP A 30 62.649 8.802 7.654 1.00 0.00 H new ATOM 0 HA ASP A 30 61.367 9.841 10.200 1.00 0.00 H new ATOM 0 HB2 ASP A 30 63.340 11.163 8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 30 62.169 11.432 7.715 1.00 0.00 H new ATOM 511 N PRO A 31 59.270 9.149 9.026 1.00 0.00 N ATOM 512 CA PRO A 31 57.965 8.888 8.353 1.00 0.00 C ATOM 513 C PRO A 31 57.301 10.199 7.911 1.00 0.00 C ATOM 514 O PRO A 31 56.774 10.298 6.819 1.00 0.00 O ATOM 515 CB PRO A 31 57.122 8.187 9.424 1.00 0.00 C ATOM 516 CG PRO A 31 58.098 7.705 10.451 1.00 0.00 C ATOM 517 CD PRO A 31 59.283 8.629 10.402 1.00 0.00 C ATOM 0 HA PRO A 31 58.078 8.289 7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 31 56.397 8.872 9.863 1.00 0.00 H new ATOM 0 HB3 PRO A 31 56.559 7.357 8.998 1.00 0.00 H new ATOM 0 HG2 PRO A 31 57.647 7.709 11.443 1.00 0.00 H new ATOM 0 HG3 PRO A 31 58.401 6.679 10.243 1.00 0.00 H new ATOM 0 HD2 PRO A 31 59.194 9.432 11.133 1.00 0.00 H new ATOM 0 HD3 PRO A 31 60.211 8.101 10.621 1.00 0.00 H new ATOM 525 N GLN A 32 57.340 11.209 8.743 1.00 0.00 N ATOM 526 CA GLN A 32 56.552 12.450 8.453 1.00 0.00 C ATOM 527 C GLN A 32 57.304 13.331 7.449 1.00 0.00 C ATOM 528 O GLN A 32 56.703 14.125 6.747 1.00 0.00 O ATOM 529 CB GLN A 32 56.388 13.162 9.798 1.00 0.00 C ATOM 530 CG GLN A 32 55.405 14.324 9.645 1.00 0.00 C ATOM 531 CD GLN A 32 55.308 15.089 10.966 1.00 0.00 C ATOM 532 OE1 GLN A 32 54.649 14.651 11.889 1.00 0.00 O ATOM 533 NE2 GLN A 32 55.943 16.222 11.098 1.00 0.00 N ATOM 0 H GLN A 32 57.881 11.230 9.608 1.00 0.00 H new ATOM 0 HA GLN A 32 55.583 12.224 8.008 1.00 0.00 H new ATOM 0 HB2 GLN A 32 56.025 12.462 10.550 1.00 0.00 H new ATOM 0 HB3 GLN A 32 57.353 13.531 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 32 55.736 14.992 8.850 1.00 0.00 H new ATOM 0 HG3 GLN A 32 54.423 13.948 9.358 1.00 0.00 H new ATOM 0 HE21 GLN A 32 56.496 16.590 10.324 1.00 0.00 H new ATOM 0 HE22 GLN A 32 55.886 16.739 11.975 1.00 0.00 H new ATOM 542 N GLU A 33 58.606 13.201 7.376 1.00 0.00 N ATOM 543 CA GLU A 33 59.377 13.925 6.317 1.00 0.00 C ATOM 544 C GLU A 33 59.442 13.105 5.015 1.00 0.00 C ATOM 545 O GLU A 33 60.048 13.531 4.049 1.00 0.00 O ATOM 546 CB GLU A 33 60.783 14.109 6.899 1.00 0.00 C ATOM 547 CG GLU A 33 60.727 15.047 8.110 1.00 0.00 C ATOM 548 CD GLU A 33 60.395 16.471 7.651 1.00 0.00 C ATOM 549 OE1 GLU A 33 60.935 16.888 6.639 1.00 0.00 O ATOM 550 OE2 GLU A 33 59.605 17.118 8.318 1.00 0.00 O ATOM 0 H GLU A 33 59.168 12.625 8.003 1.00 0.00 H new ATOM 0 HA GLU A 33 58.906 14.874 6.061 1.00 0.00 H new ATOM 0 HB2 GLU A 33 61.193 13.143 7.195 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.449 14.520 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 33 59.974 14.698 8.817 1.00 0.00 H new ATOM 0 HG3 GLU A 33 61.683 15.038 8.633 1.00 0.00 H new ATOM 557 N CYS A 34 58.824 11.932 4.974 1.00 0.00 N ATOM 558 CA CYS A 34 58.914 11.047 3.759 1.00 0.00 C ATOM 559 C CYS A 34 60.374 10.864 3.311 1.00 0.00 C ATOM 560 O CYS A 34 60.668 10.820 2.128 1.00 0.00 O ATOM 561 CB CYS A 34 58.103 11.765 2.675 1.00 0.00 C ATOM 562 SG CYS A 34 56.336 11.509 2.973 1.00 0.00 S ATOM 0 H CYS A 34 58.261 11.554 5.735 1.00 0.00 H new ATOM 0 HA CYS A 34 58.530 10.048 3.963 1.00 0.00 H new ATOM 0 HB2 CYS A 34 58.333 12.831 2.680 1.00 0.00 H new ATOM 0 HB3 CYS A 34 58.375 11.385 1.690 1.00 0.00 H new ATOM 0 HG CYS A 34 55.648 12.120 2.055 1.00 0.00 H new ATOM 568 N THR A 35 61.288 10.754 4.248 1.00 0.00 N ATOM 569 CA THR A 35 62.736 10.693 3.880 1.00 0.00 C ATOM 570 C THR A 35 63.445 9.606 4.688 1.00 0.00 C ATOM 571 O THR A 35 63.021 9.253 5.770 1.00 0.00 O ATOM 572 CB THR A 35 63.302 12.074 4.230 1.00 0.00 C ATOM 573 OG1 THR A 35 62.817 12.480 5.503 1.00 0.00 O ATOM 574 CG2 THR A 35 62.872 13.089 3.169 1.00 0.00 C ATOM 0 H THR A 35 61.092 10.704 5.248 1.00 0.00 H new ATOM 0 HA THR A 35 62.878 10.451 2.827 1.00 0.00 H new ATOM 0 HB THR A 35 64.390 12.021 4.259 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.300 13.280 5.797 1.00 0.00 H new ATOM 0 HG21 THR A 35 63.275 14.070 3.420 1.00 0.00 H new ATOM 0 HG22 THR A 35 63.250 12.779 2.195 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.784 13.142 3.136 1.00 0.00 H new ATOM 582 N ILE A 36 64.521 9.075 4.164 1.00 0.00 N ATOM 583 CA ILE A 36 65.294 8.037 4.914 1.00 0.00 C ATOM 584 C ILE A 36 66.798 8.226 4.680 1.00 0.00 C ATOM 585 O ILE A 36 67.207 8.886 3.744 1.00 0.00 O ATOM 586 CB ILE A 36 64.817 6.681 4.362 1.00 0.00 C ATOM 587 CG1 ILE A 36 65.042 6.610 2.843 1.00 0.00 C ATOM 588 CG2 ILE A 36 63.325 6.501 4.662 1.00 0.00 C ATOM 589 CD1 ILE A 36 64.855 5.169 2.365 1.00 0.00 C ATOM 0 H ILE A 36 64.899 9.316 3.248 1.00 0.00 H new ATOM 0 HA ILE A 36 65.130 8.104 5.990 1.00 0.00 H new ATOM 0 HB ILE A 36 65.390 5.888 4.842 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.341 7.268 2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 36 66.045 6.959 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.988 5.541 4.271 1.00 0.00 H new ATOM 0 HG22 ILE A 36 63.164 6.530 5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 36 62.759 7.304 4.189 1.00 0.00 H new ATOM 0 HD11 ILE A 36 65.015 5.119 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 36 65.574 4.522 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.843 4.837 2.597 1.00 0.00 H new ATOM 601 N ALA A 37 67.615 7.650 5.524 1.00 0.00 N ATOM 602 CA ALA A 37 69.091 7.710 5.310 1.00 0.00 C ATOM 603 C ALA A 37 69.708 6.337 5.577 1.00 0.00 C ATOM 604 O ALA A 37 69.483 5.740 6.615 1.00 0.00 O ATOM 605 CB ALA A 37 69.610 8.741 6.315 1.00 0.00 C ATOM 0 H ALA A 37 67.321 7.138 6.356 1.00 0.00 H new ATOM 0 HA ALA A 37 69.349 7.988 4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 37 70.691 8.836 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 37 69.141 9.706 6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 37 69.368 8.416 7.327 1.00 0.00 H new ATOM 611 N LEU A 38 70.481 5.840 4.644 1.00 0.00 N ATOM 612 CA LEU A 38 71.085 4.484 4.801 1.00 0.00 C ATOM 613 C LEU A 38 72.590 4.615 5.020 1.00 0.00 C ATOM 614 O LEU A 38 73.214 5.532 4.520 1.00 0.00 O ATOM 615 CB LEU A 38 70.799 3.758 3.481 1.00 0.00 C ATOM 616 CG LEU A 38 69.288 3.602 3.282 1.00 0.00 C ATOM 617 CD1 LEU A 38 69.012 3.065 1.876 1.00 0.00 C ATOM 618 CD2 LEU A 38 68.730 2.619 4.317 1.00 0.00 C ATOM 0 H LEU A 38 70.720 6.319 3.776 1.00 0.00 H new ATOM 0 HA LEU A 38 70.675 3.944 5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 38 71.227 4.317 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 38 71.276 2.778 3.485 1.00 0.00 H new ATOM 0 HG LEU A 38 68.807 4.572 3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 38 67.937 2.954 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 38 69.406 3.762 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 38 69.496 2.096 1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 38 67.655 2.510 4.173 1.00 0.00 H new ATOM 0 HD22 LEU A 38 69.213 1.649 4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 68.925 2.997 5.320 1.00 0.00 H new ATOM 630 N SER A 39 73.176 3.707 5.758 1.00 0.00 N ATOM 631 CA SER A 39 74.639 3.796 6.040 1.00 0.00 C ATOM 632 C SER A 39 75.331 2.550 5.497 1.00 0.00 C ATOM 633 O SER A 39 74.725 1.499 5.407 1.00 0.00 O ATOM 634 CB SER A 39 74.751 3.858 7.563 1.00 0.00 C ATOM 635 OG SER A 39 74.281 2.637 8.118 1.00 0.00 O ATOM 0 H SER A 39 72.703 2.907 6.178 1.00 0.00 H new ATOM 0 HA SER A 39 75.108 4.662 5.572 1.00 0.00 H new ATOM 0 HB2 SER A 39 75.787 4.029 7.856 1.00 0.00 H new ATOM 0 HB3 SER A 39 74.168 4.694 7.948 1.00 0.00 H new ATOM 0 HG SER A 39 74.353 2.672 9.095 1.00 0.00 H new ATOM 641 N SER A 40 76.592 2.661 5.137 1.00 0.00 N ATOM 642 CA SER A 40 77.303 1.540 4.431 1.00 0.00 C ATOM 643 C SER A 40 76.422 0.971 3.307 1.00 0.00 C ATOM 644 O SER A 40 75.722 -0.012 3.481 1.00 0.00 O ATOM 645 CB SER A 40 77.605 0.491 5.510 1.00 0.00 C ATOM 646 OG SER A 40 76.425 -0.227 5.844 1.00 0.00 O ATOM 0 H SER A 40 77.164 3.489 5.304 1.00 0.00 H new ATOM 0 HA SER A 40 78.224 1.874 3.952 1.00 0.00 H new ATOM 0 HB2 SER A 40 78.370 -0.199 5.152 1.00 0.00 H new ATOM 0 HB3 SER A 40 78.006 0.978 6.399 1.00 0.00 H new ATOM 0 HG SER A 40 75.679 0.096 5.296 1.00 0.00 H new ATOM 652 N VAL A 41 76.452 1.606 2.161 1.00 0.00 N ATOM 653 CA VAL A 41 75.618 1.152 1.009 1.00 0.00 C ATOM 654 C VAL A 41 76.467 1.146 -0.274 1.00 0.00 C ATOM 655 O VAL A 41 77.395 1.921 -0.415 1.00 0.00 O ATOM 656 CB VAL A 41 74.458 2.162 0.931 1.00 0.00 C ATOM 657 CG1 VAL A 41 74.995 3.560 0.616 1.00 0.00 C ATOM 658 CG2 VAL A 41 73.462 1.744 -0.161 1.00 0.00 C ATOM 0 H VAL A 41 77.026 2.428 1.974 1.00 0.00 H new ATOM 0 HA VAL A 41 75.239 0.137 1.129 1.00 0.00 H new ATOM 0 HB VAL A 41 73.951 2.178 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 41 74.165 4.265 0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 41 75.685 3.870 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 41 75.517 3.542 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 41 72.647 2.466 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 41 73.971 1.711 -1.124 1.00 0.00 H new ATOM 0 HG23 VAL A 41 73.060 0.758 0.071 1.00 0.00 H new ATOM 668 N ARG A 42 76.153 0.277 -1.200 1.00 0.00 N ATOM 669 CA ARG A 42 76.909 0.227 -2.489 1.00 0.00 C ATOM 670 C ARG A 42 75.935 0.085 -3.665 1.00 0.00 C ATOM 671 O ARG A 42 74.848 -0.440 -3.513 1.00 0.00 O ATOM 672 CB ARG A 42 77.829 -1.000 -2.379 1.00 0.00 C ATOM 673 CG ARG A 42 77.003 -2.275 -2.159 1.00 0.00 C ATOM 674 CD ARG A 42 77.945 -3.457 -1.904 1.00 0.00 C ATOM 675 NE ARG A 42 78.521 -3.207 -0.545 1.00 0.00 N ATOM 676 CZ ARG A 42 77.821 -3.423 0.554 1.00 0.00 C ATOM 677 NH1 ARG A 42 76.580 -3.853 0.508 1.00 0.00 N ATOM 678 NH2 ARG A 42 78.375 -3.201 1.715 1.00 0.00 N ATOM 0 H ARG A 42 75.400 -0.406 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 42 77.484 1.136 -2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 42 78.424 -1.098 -3.287 1.00 0.00 H new ATOM 0 HB3 ARG A 42 78.527 -0.865 -1.553 1.00 0.00 H new ATOM 0 HG2 ARG A 42 76.330 -2.143 -1.312 1.00 0.00 H new ATOM 0 HG3 ARG A 42 76.381 -2.473 -3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 42 77.407 -4.404 -1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 42 78.728 -3.509 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 42 79.477 -2.861 -0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 42 76.134 -4.028 -0.392 1.00 0.00 H new ATOM 0 HH12 ARG A 42 76.063 -4.011 1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 42 79.337 -2.865 1.765 1.00 0.00 H new ATOM 0 HH22 ARG A 42 77.846 -3.364 2.572 1.00 0.00 H new ATOM 692 N SER A 43 76.320 0.549 -4.829 1.00 0.00 N ATOM 693 CA SER A 43 75.447 0.396 -6.034 1.00 0.00 C ATOM 694 C SER A 43 76.042 -0.662 -6.967 1.00 0.00 C ATOM 695 O SER A 43 77.238 -0.696 -7.189 1.00 0.00 O ATOM 696 CB SER A 43 75.444 1.772 -6.699 1.00 0.00 C ATOM 697 OG SER A 43 76.727 2.032 -7.254 1.00 0.00 O ATOM 0 H SER A 43 77.204 1.029 -4.996 1.00 0.00 H new ATOM 0 HA SER A 43 74.437 0.072 -5.785 1.00 0.00 H new ATOM 0 HB2 SER A 43 74.684 1.809 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 43 75.189 2.540 -5.969 1.00 0.00 H new ATOM 0 HG SER A 43 77.212 1.188 -7.367 1.00 0.00 H new ATOM 703 N PHE A 44 75.217 -1.521 -7.515 1.00 0.00 N ATOM 704 CA PHE A 44 75.756 -2.672 -8.308 1.00 0.00 C ATOM 705 C PHE A 44 76.079 -2.244 -9.743 1.00 0.00 C ATOM 706 O PHE A 44 77.066 -2.676 -10.311 1.00 0.00 O ATOM 707 CB PHE A 44 74.643 -3.722 -8.302 1.00 0.00 C ATOM 708 CG PHE A 44 74.392 -4.327 -6.940 1.00 0.00 C ATOM 709 CD1 PHE A 44 75.238 -5.355 -6.457 1.00 0.00 C ATOM 710 CD2 PHE A 44 73.312 -3.867 -6.148 1.00 0.00 C ATOM 711 CE1 PHE A 44 75.005 -5.923 -5.180 1.00 0.00 C ATOM 712 CE2 PHE A 44 73.079 -4.435 -4.872 1.00 0.00 C ATOM 713 CZ PHE A 44 73.925 -5.463 -4.388 1.00 0.00 C ATOM 0 H PHE A 44 74.200 -1.476 -7.449 1.00 0.00 H new ATOM 0 HA PHE A 44 76.683 -3.054 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 44 73.722 -3.265 -8.663 1.00 0.00 H new ATOM 0 HB3 PHE A 44 74.901 -4.517 -9.002 1.00 0.00 H new ATOM 0 HD1 PHE A 44 76.061 -5.706 -7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 44 72.667 -3.084 -6.517 1.00 0.00 H new ATOM 0 HE1 PHE A 44 75.651 -6.706 -4.811 1.00 0.00 H new ATOM 0 HE2 PHE A 44 72.256 -4.084 -4.267 1.00 0.00 H new ATOM 0 HZ PHE A 44 73.746 -5.896 -3.415 1.00 0.00 H new ATOM 723 N GLY A 45 75.262 -1.403 -10.331 1.00 0.00 N ATOM 724 CA GLY A 45 75.582 -0.874 -11.689 1.00 0.00 C ATOM 725 C GLY A 45 74.360 -0.179 -12.283 1.00 0.00 C ATOM 726 O GLY A 45 73.257 -0.300 -11.782 1.00 0.00 O ATOM 0 H GLY A 45 74.389 -1.062 -9.928 1.00 0.00 H new ATOM 0 HA2 GLY A 45 76.415 -0.173 -11.628 1.00 0.00 H new ATOM 0 HA3 GLY A 45 75.899 -1.689 -12.340 1.00 0.00 H new ATOM 730 N THR A 46 74.556 0.551 -13.351 1.00 0.00 N ATOM 731 CA THR A 46 73.401 1.129 -14.107 1.00 0.00 C ATOM 732 C THR A 46 73.360 0.586 -15.548 1.00 0.00 C ATOM 733 O THR A 46 72.557 1.021 -16.351 1.00 0.00 O ATOM 734 CB THR A 46 73.648 2.640 -14.111 1.00 0.00 C ATOM 735 OG1 THR A 46 74.953 2.902 -14.607 1.00 0.00 O ATOM 736 CG2 THR A 46 73.518 3.195 -12.688 1.00 0.00 C ATOM 0 H THR A 46 75.474 0.774 -13.736 1.00 0.00 H new ATOM 0 HA THR A 46 72.446 0.868 -13.651 1.00 0.00 H new ATOM 0 HB THR A 46 72.909 3.124 -14.750 1.00 0.00 H new ATOM 0 HG1 THR A 46 75.237 3.797 -14.325 1.00 0.00 H new ATOM 0 HG21 THR A 46 73.695 4.270 -12.699 1.00 0.00 H new ATOM 0 HG22 THR A 46 72.515 2.996 -12.310 1.00 0.00 H new ATOM 0 HG23 THR A 46 74.251 2.713 -12.041 1.00 0.00 H new ATOM 744 N GLU A 47 74.217 -0.364 -15.875 1.00 0.00 N ATOM 745 CA GLU A 47 74.440 -0.759 -17.308 1.00 0.00 C ATOM 746 C GLU A 47 73.123 -1.095 -18.027 1.00 0.00 C ATOM 747 O GLU A 47 73.027 -0.973 -19.234 1.00 0.00 O ATOM 748 CB GLU A 47 75.340 -1.997 -17.248 1.00 0.00 C ATOM 749 CG GLU A 47 75.841 -2.339 -18.655 1.00 0.00 C ATOM 750 CD GLU A 47 76.630 -3.650 -18.615 1.00 0.00 C ATOM 751 OE1 GLU A 47 76.179 -4.572 -17.955 1.00 0.00 O ATOM 752 OE2 GLU A 47 77.671 -3.709 -19.247 1.00 0.00 O ATOM 0 H GLU A 47 74.776 -0.886 -15.200 1.00 0.00 H new ATOM 0 HA GLU A 47 74.887 0.060 -17.871 1.00 0.00 H new ATOM 0 HB2 GLU A 47 76.185 -1.812 -16.585 1.00 0.00 H new ATOM 0 HB3 GLU A 47 74.788 -2.840 -16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 47 74.998 -2.431 -19.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 76.472 -1.535 -19.033 1.00 0.00 H new ATOM 759 N ASP A 48 72.116 -1.516 -17.301 1.00 0.00 N ATOM 760 CA ASP A 48 70.814 -1.866 -17.959 1.00 0.00 C ATOM 761 C ASP A 48 70.167 -0.611 -18.558 1.00 0.00 C ATOM 762 O ASP A 48 69.920 -0.539 -19.747 1.00 0.00 O ATOM 763 CB ASP A 48 69.933 -2.442 -16.845 1.00 0.00 C ATOM 764 CG ASP A 48 70.527 -3.762 -16.347 1.00 0.00 C ATOM 765 OD1 ASP A 48 70.967 -4.544 -17.176 1.00 0.00 O ATOM 766 OD2 ASP A 48 70.532 -3.971 -15.146 1.00 0.00 O ATOM 0 H ASP A 48 72.136 -1.633 -16.288 1.00 0.00 H new ATOM 0 HA ASP A 48 70.949 -2.577 -18.774 1.00 0.00 H new ATOM 0 HB2 ASP A 48 69.860 -1.731 -16.022 1.00 0.00 H new ATOM 0 HB3 ASP A 48 68.921 -2.605 -17.216 1.00 0.00 H new ATOM 771 N ARG A 49 69.894 0.372 -17.737 1.00 0.00 N ATOM 772 CA ARG A 49 69.311 1.655 -18.248 1.00 0.00 C ATOM 773 C ARG A 49 70.409 2.697 -18.528 1.00 0.00 C ATOM 774 O ARG A 49 70.115 3.853 -18.769 1.00 0.00 O ATOM 775 CB ARG A 49 68.383 2.139 -17.132 1.00 0.00 C ATOM 776 CG ARG A 49 67.025 1.444 -17.259 1.00 0.00 C ATOM 777 CD ARG A 49 67.155 -0.020 -16.822 1.00 0.00 C ATOM 778 NE ARG A 49 65.749 -0.525 -16.703 1.00 0.00 N ATOM 779 CZ ARG A 49 65.470 -1.633 -16.041 1.00 0.00 C ATOM 780 NH1 ARG A 49 66.411 -2.345 -15.462 1.00 0.00 N ATOM 781 NH2 ARG A 49 64.230 -2.031 -15.962 1.00 0.00 N ATOM 0 H ARG A 49 70.050 0.343 -16.729 1.00 0.00 H new ATOM 0 HA ARG A 49 68.785 1.509 -19.191 1.00 0.00 H new ATOM 0 HB2 ARG A 49 68.824 1.923 -16.159 1.00 0.00 H new ATOM 0 HB3 ARG A 49 68.257 3.220 -17.193 1.00 0.00 H new ATOM 0 HG2 ARG A 49 66.285 1.954 -16.642 1.00 0.00 H new ATOM 0 HG3 ARG A 49 66.673 1.497 -18.289 1.00 0.00 H new ATOM 0 HD2 ARG A 49 67.720 -0.599 -17.552 1.00 0.00 H new ATOM 0 HD3 ARG A 49 67.684 -0.101 -15.872 1.00 0.00 H new ATOM 0 HE ARG A 49 64.992 -0.002 -17.143 1.00 0.00 H new ATOM 0 HH11 ARG A 49 67.384 -2.045 -15.518 1.00 0.00 H new ATOM 0 HH12 ARG A 49 66.168 -3.197 -14.957 1.00 0.00 H new ATOM 0 HH21 ARG A 49 63.491 -1.488 -16.408 1.00 0.00 H new ATOM 0 HH22 ARG A 49 64.000 -2.885 -15.454 1.00 0.00 H new ATOM 795 N ASP A 50 71.665 2.303 -18.497 1.00 0.00 N ATOM 796 CA ASP A 50 72.782 3.308 -18.563 1.00 0.00 C ATOM 797 C ASP A 50 72.692 4.167 -19.833 1.00 0.00 C ATOM 798 O ASP A 50 71.865 3.936 -20.697 1.00 0.00 O ATOM 799 CB ASP A 50 74.088 2.487 -18.571 1.00 0.00 C ATOM 800 CG ASP A 50 74.137 1.536 -19.782 1.00 0.00 C ATOM 801 OD1 ASP A 50 73.167 1.481 -20.523 1.00 0.00 O ATOM 802 OD2 ASP A 50 75.153 0.879 -19.946 1.00 0.00 O ATOM 0 H ASP A 50 71.965 1.330 -18.429 1.00 0.00 H new ATOM 0 HA ASP A 50 72.733 3.995 -17.718 1.00 0.00 H new ATOM 0 HB2 ASP A 50 74.945 3.161 -18.599 1.00 0.00 H new ATOM 0 HB3 ASP A 50 74.165 1.911 -17.649 1.00 0.00 H new ATOM 807 N THR A 51 73.544 5.155 -19.936 1.00 0.00 N ATOM 808 CA THR A 51 73.607 5.990 -21.176 1.00 0.00 C ATOM 809 C THR A 51 74.385 5.245 -22.260 1.00 0.00 C ATOM 810 O THR A 51 75.079 4.283 -21.984 1.00 0.00 O ATOM 811 CB THR A 51 74.344 7.270 -20.769 1.00 0.00 C ATOM 812 OG1 THR A 51 73.761 7.793 -19.584 1.00 0.00 O ATOM 813 CG2 THR A 51 74.235 8.301 -21.893 1.00 0.00 C ATOM 0 H THR A 51 74.206 5.422 -19.207 1.00 0.00 H new ATOM 0 HA THR A 51 72.618 6.209 -21.578 1.00 0.00 H new ATOM 0 HB THR A 51 75.395 7.044 -20.587 1.00 0.00 H new ATOM 0 HG1 THR A 51 74.232 8.611 -19.321 1.00 0.00 H new ATOM 0 HG21 THR A 51 74.759 9.212 -21.603 1.00 0.00 H new ATOM 0 HG22 THR A 51 74.683 7.898 -22.801 1.00 0.00 H new ATOM 0 HG23 THR A 51 73.185 8.530 -22.077 1.00 0.00 H new ATOM 821 N GLN A 52 74.275 5.682 -23.492 1.00 0.00 N ATOM 822 CA GLN A 52 74.996 4.981 -24.604 1.00 0.00 C ATOM 823 C GLN A 52 76.494 5.348 -24.617 1.00 0.00 C ATOM 824 O GLN A 52 77.230 4.919 -25.487 1.00 0.00 O ATOM 825 CB GLN A 52 74.303 5.444 -25.900 1.00 0.00 C ATOM 826 CG GLN A 52 74.513 6.949 -26.124 1.00 0.00 C ATOM 827 CD GLN A 52 73.491 7.460 -27.142 1.00 0.00 C ATOM 828 OE1 GLN A 52 72.341 7.072 -27.112 1.00 0.00 O ATOM 829 NE2 GLN A 52 73.867 8.321 -28.049 1.00 0.00 N ATOM 0 H GLN A 52 73.720 6.490 -23.776 1.00 0.00 H new ATOM 0 HA GLN A 52 74.952 3.898 -24.488 1.00 0.00 H new ATOM 0 HB2 GLN A 52 74.700 4.887 -26.749 1.00 0.00 H new ATOM 0 HB3 GLN A 52 73.237 5.225 -25.845 1.00 0.00 H new ATOM 0 HG2 GLN A 52 74.404 7.487 -25.182 1.00 0.00 H new ATOM 0 HG3 GLN A 52 75.525 7.137 -26.483 1.00 0.00 H new ATOM 0 HE21 GLN A 52 74.833 8.647 -28.074 1.00 0.00 H new ATOM 0 HE22 GLN A 52 73.194 8.668 -28.733 1.00 0.00 H new ATOM 838 N PHE A 53 76.949 6.133 -23.665 1.00 0.00 N ATOM 839 CA PHE A 53 78.417 6.336 -23.487 1.00 0.00 C ATOM 840 C PHE A 53 78.920 5.461 -22.334 1.00 0.00 C ATOM 841 O PHE A 53 78.138 4.943 -21.558 1.00 0.00 O ATOM 842 CB PHE A 53 78.574 7.819 -23.152 1.00 0.00 C ATOM 843 CG PHE A 53 78.551 8.718 -24.367 1.00 0.00 C ATOM 844 CD1 PHE A 53 77.440 8.696 -25.247 1.00 0.00 C ATOM 845 CD2 PHE A 53 79.641 9.585 -24.625 1.00 0.00 C ATOM 846 CE1 PHE A 53 77.421 9.540 -26.384 1.00 0.00 C ATOM 847 CE2 PHE A 53 79.621 10.429 -25.761 1.00 0.00 C ATOM 848 CZ PHE A 53 78.511 10.407 -26.641 1.00 0.00 C ATOM 0 H PHE A 53 76.361 6.641 -23.004 1.00 0.00 H new ATOM 0 HA PHE A 53 78.991 6.063 -24.372 1.00 0.00 H new ATOM 0 HB2 PHE A 53 77.774 8.117 -22.474 1.00 0.00 H new ATOM 0 HB3 PHE A 53 79.514 7.965 -22.619 1.00 0.00 H new ATOM 0 HD1 PHE A 53 76.608 8.036 -25.050 1.00 0.00 H new ATOM 0 HD2 PHE A 53 80.488 9.602 -23.955 1.00 0.00 H new ATOM 0 HE1 PHE A 53 76.575 9.523 -27.055 1.00 0.00 H new ATOM 0 HE2 PHE A 53 80.452 11.090 -25.957 1.00 0.00 H new ATOM 0 HZ PHE A 53 78.496 11.051 -27.508 1.00 0.00 H new ATOM 858 N GLN A 54 80.215 5.296 -22.216 1.00 0.00 N ATOM 859 CA GLN A 54 80.769 4.380 -21.165 1.00 0.00 C ATOM 860 C GLN A 54 80.497 4.942 -19.765 1.00 0.00 C ATOM 861 O GLN A 54 80.656 6.124 -19.522 1.00 0.00 O ATOM 862 CB GLN A 54 82.277 4.317 -21.430 1.00 0.00 C ATOM 863 CG GLN A 54 82.533 3.627 -22.771 1.00 0.00 C ATOM 864 CD GLN A 54 84.040 3.480 -22.990 1.00 0.00 C ATOM 865 OE1 GLN A 54 84.663 2.597 -22.437 1.00 0.00 O ATOM 866 NE2 GLN A 54 84.656 4.317 -23.780 1.00 0.00 N ATOM 0 H GLN A 54 80.914 5.755 -22.801 1.00 0.00 H new ATOM 0 HA GLN A 54 80.308 3.393 -21.207 1.00 0.00 H new ATOM 0 HB2 GLN A 54 82.697 5.323 -21.441 1.00 0.00 H new ATOM 0 HB3 GLN A 54 82.775 3.772 -20.628 1.00 0.00 H new ATOM 0 HG2 GLN A 54 82.056 2.647 -22.785 1.00 0.00 H new ATOM 0 HG3 GLN A 54 82.092 4.208 -23.581 1.00 0.00 H new ATOM 0 HE21 GLN A 54 84.133 5.059 -24.245 1.00 0.00 H new ATOM 0 HE22 GLN A 54 85.661 4.229 -23.933 1.00 0.00 H new ATOM 875 N ILE A 55 80.088 4.098 -18.846 1.00 0.00 N ATOM 876 CA ILE A 55 79.848 4.558 -17.441 1.00 0.00 C ATOM 877 C ILE A 55 80.870 3.904 -16.504 1.00 0.00 C ATOM 878 O ILE A 55 81.159 2.727 -16.615 1.00 0.00 O ATOM 879 CB ILE A 55 78.418 4.101 -17.088 1.00 0.00 C ATOM 880 CG1 ILE A 55 77.405 4.637 -18.123 1.00 0.00 C ATOM 881 CG2 ILE A 55 78.041 4.615 -15.693 1.00 0.00 C ATOM 882 CD1 ILE A 55 77.461 6.170 -18.196 1.00 0.00 C ATOM 0 H ILE A 55 79.910 3.107 -19.010 1.00 0.00 H new ATOM 0 HA ILE A 55 79.953 5.638 -17.338 1.00 0.00 H new ATOM 0 HB ILE A 55 78.390 3.011 -17.100 1.00 0.00 H new ATOM 0 HG12 ILE A 55 77.621 4.213 -19.104 1.00 0.00 H new ATOM 0 HG13 ILE A 55 76.398 4.318 -17.853 1.00 0.00 H new ATOM 0 HG21 ILE A 55 77.030 4.290 -15.447 1.00 0.00 H new ATOM 0 HG22 ILE A 55 78.740 4.216 -14.957 1.00 0.00 H new ATOM 0 HG23 ILE A 55 78.085 5.704 -15.682 1.00 0.00 H new ATOM 0 HD11 ILE A 55 76.739 6.526 -18.931 1.00 0.00 H new ATOM 0 HD12 ILE A 55 77.221 6.590 -17.219 1.00 0.00 H new ATOM 0 HD13 ILE A 55 78.463 6.484 -18.489 1.00 0.00 H new ATOM 894 N ALA A 56 81.416 4.663 -15.585 1.00 0.00 N ATOM 895 CA ALA A 56 82.439 4.103 -14.650 1.00 0.00 C ATOM 896 C ALA A 56 81.777 3.692 -13.321 1.00 0.00 C ATOM 897 O ALA A 56 81.365 4.549 -12.563 1.00 0.00 O ATOM 898 CB ALA A 56 83.428 5.247 -14.420 1.00 0.00 C ATOM 0 H ALA A 56 81.196 5.649 -15.443 1.00 0.00 H new ATOM 0 HA ALA A 56 82.925 3.214 -15.053 1.00 0.00 H new ATOM 0 HB1 ALA A 56 84.215 4.917 -13.741 1.00 0.00 H new ATOM 0 HB2 ALA A 56 83.870 5.543 -15.371 1.00 0.00 H new ATOM 0 HB3 ALA A 56 82.905 6.098 -13.983 1.00 0.00 H new ATOM 904 N PRO A 57 81.692 2.396 -13.070 1.00 0.00 N ATOM 905 CA PRO A 57 81.101 1.913 -11.793 1.00 0.00 C ATOM 906 C PRO A 57 82.003 2.292 -10.613 1.00 0.00 C ATOM 907 O PRO A 57 83.214 2.304 -10.728 1.00 0.00 O ATOM 908 CB PRO A 57 81.034 0.393 -11.962 1.00 0.00 C ATOM 909 CG PRO A 57 82.025 0.070 -13.034 1.00 0.00 C ATOM 910 CD PRO A 57 82.123 1.277 -13.927 1.00 0.00 C ATOM 0 HA PRO A 57 80.124 2.350 -11.587 1.00 0.00 H new ATOM 0 HB2 PRO A 57 81.281 -0.117 -11.031 1.00 0.00 H new ATOM 0 HB3 PRO A 57 80.031 0.073 -12.244 1.00 0.00 H new ATOM 0 HG2 PRO A 57 82.996 -0.168 -12.601 1.00 0.00 H new ATOM 0 HG3 PRO A 57 81.706 -0.804 -13.602 1.00 0.00 H new ATOM 0 HD2 PRO A 57 83.140 1.422 -14.290 1.00 0.00 H new ATOM 0 HD3 PRO A 57 81.483 1.177 -14.804 1.00 0.00 H new ATOM 918 N GLN A 58 81.416 2.600 -9.481 1.00 0.00 N ATOM 919 CA GLN A 58 82.229 2.993 -8.290 1.00 0.00 C ATOM 920 C GLN A 58 82.429 1.790 -7.364 1.00 0.00 C ATOM 921 O GLN A 58 81.487 1.278 -6.787 1.00 0.00 O ATOM 922 CB GLN A 58 81.408 4.078 -7.590 1.00 0.00 C ATOM 923 CG GLN A 58 81.355 5.329 -8.471 1.00 0.00 C ATOM 924 CD GLN A 58 80.576 6.430 -7.749 1.00 0.00 C ATOM 925 OE1 GLN A 58 81.091 7.064 -6.850 1.00 0.00 O ATOM 926 NE2 GLN A 58 79.349 6.686 -8.109 1.00 0.00 N ATOM 0 H GLN A 58 80.407 2.596 -9.332 1.00 0.00 H new ATOM 0 HA GLN A 58 83.222 3.348 -8.567 1.00 0.00 H new ATOM 0 HB2 GLN A 58 80.399 3.715 -7.394 1.00 0.00 H new ATOM 0 HB3 GLN A 58 81.853 4.319 -6.625 1.00 0.00 H new ATOM 0 HG2 GLN A 58 82.365 5.671 -8.696 1.00 0.00 H new ATOM 0 HG3 GLN A 58 80.878 5.096 -9.423 1.00 0.00 H new ATOM 0 HE21 GLN A 58 78.917 6.153 -8.864 1.00 0.00 H new ATOM 0 HE22 GLN A 58 78.821 7.419 -7.636 1.00 0.00 H new ATOM 935 N SER A 59 83.652 1.338 -7.221 1.00 0.00 N ATOM 936 CA SER A 59 83.931 0.174 -6.321 1.00 0.00 C ATOM 937 C SER A 59 83.928 0.618 -4.853 1.00 0.00 C ATOM 938 O SER A 59 83.610 -0.156 -3.968 1.00 0.00 O ATOM 939 CB SER A 59 85.319 -0.327 -6.725 1.00 0.00 C ATOM 940 OG SER A 59 86.291 0.650 -6.377 1.00 0.00 O ATOM 0 H SER A 59 84.471 1.726 -7.690 1.00 0.00 H new ATOM 0 HA SER A 59 83.174 -0.604 -6.418 1.00 0.00 H new ATOM 0 HB2 SER A 59 85.538 -1.269 -6.223 1.00 0.00 H new ATOM 0 HB3 SER A 59 85.350 -0.522 -7.797 1.00 0.00 H new ATOM 0 HG SER A 59 87.182 0.331 -6.633 1.00 0.00 H new ATOM 946 N GLN A 60 84.280 1.856 -4.591 1.00 0.00 N ATOM 947 CA GLN A 60 84.318 2.355 -3.175 1.00 0.00 C ATOM 948 C GLN A 60 82.922 2.297 -2.543 1.00 0.00 C ATOM 949 O GLN A 60 81.919 2.400 -3.225 1.00 0.00 O ATOM 950 CB GLN A 60 84.796 3.808 -3.267 1.00 0.00 C ATOM 951 CG GLN A 60 86.239 3.842 -3.776 1.00 0.00 C ATOM 952 CD GLN A 60 86.741 5.288 -3.800 1.00 0.00 C ATOM 953 OE1 GLN A 60 86.426 6.067 -2.923 1.00 0.00 O ATOM 954 NE2 GLN A 60 87.515 5.681 -4.775 1.00 0.00 N ATOM 0 H GLN A 60 84.543 2.544 -5.297 1.00 0.00 H new ATOM 0 HA GLN A 60 84.975 1.746 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN A 60 84.149 4.372 -3.939 1.00 0.00 H new ATOM 0 HB3 GLN A 60 84.733 4.285 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 60 86.877 3.236 -3.133 1.00 0.00 H new ATOM 0 HG3 GLN A 60 86.293 3.411 -4.776 1.00 0.00 H new ATOM 0 HE21 GLN A 60 87.780 5.027 -5.511 1.00 0.00 H new ATOM 0 HE22 GLN A 60 87.855 6.642 -4.800 1.00 0.00 H new ATOM 963 N ILE A 61 82.859 2.131 -1.244 1.00 0.00 N ATOM 964 CA ILE A 61 81.535 2.066 -0.547 1.00 0.00 C ATOM 965 C ILE A 61 81.183 3.443 0.025 1.00 0.00 C ATOM 966 O ILE A 61 82.049 4.178 0.465 1.00 0.00 O ATOM 967 CB ILE A 61 81.723 1.042 0.588 1.00 0.00 C ATOM 968 CG1 ILE A 61 82.216 -0.310 0.026 1.00 0.00 C ATOM 969 CG2 ILE A 61 80.395 0.834 1.327 1.00 0.00 C ATOM 970 CD1 ILE A 61 81.216 -0.874 -0.994 1.00 0.00 C ATOM 0 H ILE A 61 83.671 2.037 -0.634 1.00 0.00 H new ATOM 0 HA ILE A 61 80.727 1.777 -1.219 1.00 0.00 H new ATOM 0 HB ILE A 61 82.471 1.429 1.280 1.00 0.00 H new ATOM 0 HG12 ILE A 61 83.190 -0.179 -0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 61 82.350 -1.021 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 61 80.534 0.109 2.129 1.00 0.00 H new ATOM 0 HG22 ILE A 61 80.061 1.782 1.749 1.00 0.00 H new ATOM 0 HG23 ILE A 61 79.644 0.463 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 61 81.584 -1.826 -1.376 1.00 0.00 H new ATOM 0 HD12 ILE A 61 80.250 -1.026 -0.511 1.00 0.00 H new ATOM 0 HD13 ILE A 61 81.103 -0.171 -1.819 1.00 0.00 H new ATOM 982 N TYR A 62 79.920 3.795 0.023 1.00 0.00 N ATOM 983 CA TYR A 62 79.505 5.124 0.569 1.00 0.00 C ATOM 984 C TYR A 62 79.090 4.987 2.036 1.00 0.00 C ATOM 985 O TYR A 62 78.115 4.330 2.351 1.00 0.00 O ATOM 986 CB TYR A 62 78.314 5.552 -0.290 1.00 0.00 C ATOM 987 CG TYR A 62 78.711 6.290 -1.547 1.00 0.00 C ATOM 988 CD1 TYR A 62 79.613 5.696 -2.462 1.00 0.00 C ATOM 989 CD2 TYR A 62 78.180 7.577 -1.809 1.00 0.00 C ATOM 990 CE1 TYR A 62 79.985 6.389 -3.640 1.00 0.00 C ATOM 991 CE2 TYR A 62 78.551 8.270 -2.987 1.00 0.00 C ATOM 992 CZ TYR A 62 79.454 7.676 -3.902 1.00 0.00 C ATOM 993 OH TYR A 62 79.817 8.351 -5.049 1.00 0.00 O ATOM 0 H TYR A 62 79.158 3.218 -0.334 1.00 0.00 H new ATOM 0 HA TYR A 62 80.313 5.855 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 62 77.738 4.668 -0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 62 77.658 6.189 0.304 1.00 0.00 H new ATOM 0 HD1 TYR A 62 80.017 4.715 -2.262 1.00 0.00 H new ATOM 0 HD2 TYR A 62 77.492 8.030 -1.110 1.00 0.00 H new ATOM 0 HE1 TYR A 62 80.673 5.936 -4.338 1.00 0.00 H new ATOM 0 HE2 TYR A 62 78.146 9.251 -3.187 1.00 0.00 H new ATOM 0 HH TYR A 62 80.431 7.797 -5.574 1.00 0.00 H new ATOM 1003 N ASP A 63 79.832 5.598 2.931 1.00 0.00 N ATOM 1004 CA ASP A 63 79.481 5.553 4.396 1.00 0.00 C ATOM 1005 C ASP A 63 78.015 5.948 4.645 1.00 0.00 C ATOM 1006 O ASP A 63 77.337 5.352 5.462 1.00 0.00 O ATOM 1007 CB ASP A 63 80.427 6.564 5.070 1.00 0.00 C ATOM 1008 CG ASP A 63 80.230 7.966 4.477 1.00 0.00 C ATOM 1009 OD1 ASP A 63 80.519 8.139 3.305 1.00 0.00 O ATOM 1010 OD2 ASP A 63 79.792 8.840 5.208 1.00 0.00 O ATOM 0 H ASP A 63 80.673 6.131 2.711 1.00 0.00 H new ATOM 0 HA ASP A 63 79.594 4.545 4.794 1.00 0.00 H new ATOM 0 HB2 ASP A 63 80.238 6.587 6.143 1.00 0.00 H new ATOM 0 HB3 ASP A 63 81.461 6.248 4.935 1.00 0.00 H new ATOM 1015 N TYR A 64 77.532 6.946 3.945 1.00 0.00 N ATOM 1016 CA TYR A 64 76.153 7.461 4.213 1.00 0.00 C ATOM 1017 C TYR A 64 75.563 8.083 2.945 1.00 0.00 C ATOM 1018 O TYR A 64 76.190 8.900 2.295 1.00 0.00 O ATOM 1019 CB TYR A 64 76.337 8.530 5.294 1.00 0.00 C ATOM 1020 CG TYR A 64 75.045 8.997 5.931 1.00 0.00 C ATOM 1021 CD1 TYR A 64 74.074 9.689 5.161 1.00 0.00 C ATOM 1022 CD2 TYR A 64 74.809 8.751 7.306 1.00 0.00 C ATOM 1023 CE1 TYR A 64 72.874 10.132 5.766 1.00 0.00 C ATOM 1024 CE2 TYR A 64 73.607 9.194 7.909 1.00 0.00 C ATOM 1025 CZ TYR A 64 72.641 9.885 7.140 1.00 0.00 C ATOM 1026 OH TYR A 64 71.470 10.317 7.730 1.00 0.00 O ATOM 0 H TYR A 64 78.034 7.427 3.199 1.00 0.00 H new ATOM 0 HA TYR A 64 75.471 6.671 4.527 1.00 0.00 H new ATOM 0 HB2 TYR A 64 76.991 8.135 6.072 1.00 0.00 H new ATOM 0 HB3 TYR A 64 76.845 9.390 4.857 1.00 0.00 H new ATOM 0 HD1 TYR A 64 74.251 9.878 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 64 75.546 8.225 7.895 1.00 0.00 H new ATOM 0 HE1 TYR A 64 72.136 10.659 5.179 1.00 0.00 H new ATOM 0 HE2 TYR A 64 73.427 9.004 8.957 1.00 0.00 H new ATOM 0 HH TYR A 64 71.469 10.065 8.677 1.00 0.00 H new ATOM 1036 N ILE A 65 74.361 7.699 2.591 1.00 0.00 N ATOM 1037 CA ILE A 65 73.646 8.384 1.464 1.00 0.00 C ATOM 1038 C ILE A 65 72.229 8.774 1.908 1.00 0.00 C ATOM 1039 O ILE A 65 71.488 7.963 2.433 1.00 0.00 O ATOM 1040 CB ILE A 65 73.606 7.364 0.312 1.00 0.00 C ATOM 1041 CG1 ILE A 65 75.044 7.028 -0.120 1.00 0.00 C ATOM 1042 CG2 ILE A 65 72.841 7.959 -0.883 1.00 0.00 C ATOM 1043 CD1 ILE A 65 75.030 5.969 -1.230 1.00 0.00 C ATOM 0 H ILE A 65 73.842 6.940 3.033 1.00 0.00 H new ATOM 0 HA ILE A 65 74.147 9.301 1.154 1.00 0.00 H new ATOM 0 HB ILE A 65 73.101 6.459 0.649 1.00 0.00 H new ATOM 0 HG12 ILE A 65 75.545 7.929 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 65 75.612 6.662 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 65 72.815 7.234 -1.696 1.00 0.00 H new ATOM 0 HG22 ILE A 65 71.822 8.200 -0.579 1.00 0.00 H new ATOM 0 HG23 ILE A 65 73.343 8.866 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 65 76.053 5.740 -1.527 1.00 0.00 H new ATOM 0 HD12 ILE A 65 74.547 5.063 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 65 74.479 6.350 -2.090 1.00 0.00 H new ATOM 1055 N LEU A 66 71.858 10.015 1.697 1.00 0.00 N ATOM 1056 CA LEU A 66 70.472 10.467 2.034 1.00 0.00 C ATOM 1057 C LEU A 66 69.553 10.274 0.824 1.00 0.00 C ATOM 1058 O LEU A 66 69.923 10.571 -0.297 1.00 0.00 O ATOM 1059 CB LEU A 66 70.606 11.952 2.380 1.00 0.00 C ATOM 1060 CG LEU A 66 69.272 12.481 2.914 1.00 0.00 C ATOM 1061 CD1 LEU A 66 69.013 11.908 4.310 1.00 0.00 C ATOM 1062 CD2 LEU A 66 69.325 14.009 2.993 1.00 0.00 C ATOM 0 H LEU A 66 72.461 10.738 1.303 1.00 0.00 H new ATOM 0 HA LEU A 66 70.040 9.901 2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 66 71.388 12.092 3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 66 70.904 12.516 1.496 1.00 0.00 H new ATOM 0 HG LEU A 66 68.468 12.177 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 68.063 12.286 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 66 68.975 10.820 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 66 69.817 12.210 4.982 1.00 0.00 H new ATOM 0 HD21 LEU A 66 68.376 14.387 3.373 1.00 0.00 H new ATOM 0 HD22 LEU A 66 70.130 14.311 3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 66 69.507 14.419 1.999 1.00 0.00 H new ATOM 1074 N PHE A 67 68.360 9.779 1.046 1.00 0.00 N ATOM 1075 CA PHE A 67 67.442 9.472 -0.092 1.00 0.00 C ATOM 1076 C PHE A 67 66.026 9.975 0.208 1.00 0.00 C ATOM 1077 O PHE A 67 65.474 9.699 1.256 1.00 0.00 O ATOM 1078 CB PHE A 67 67.451 7.945 -0.203 1.00 0.00 C ATOM 1079 CG PHE A 67 68.517 7.395 -1.124 1.00 0.00 C ATOM 1080 CD1 PHE A 67 68.739 7.986 -2.393 1.00 0.00 C ATOM 1081 CD2 PHE A 67 69.278 6.269 -0.727 1.00 0.00 C ATOM 1082 CE1 PHE A 67 69.718 7.452 -3.258 1.00 0.00 C ATOM 1083 CE2 PHE A 67 70.264 5.737 -1.594 1.00 0.00 C ATOM 1084 CZ PHE A 67 70.484 6.329 -2.861 1.00 0.00 C ATOM 0 H PHE A 67 67.982 9.574 1.971 1.00 0.00 H new ATOM 0 HA PHE A 67 67.759 9.956 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 67 67.592 7.521 0.791 1.00 0.00 H new ATOM 0 HB3 PHE A 67 66.475 7.612 -0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 67 68.159 8.845 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 67 69.107 5.815 0.238 1.00 0.00 H new ATOM 0 HE1 PHE A 67 69.884 7.901 -4.226 1.00 0.00 H new ATOM 0 HE2 PHE A 67 70.847 4.881 -1.289 1.00 0.00 H new ATOM 0 HZ PHE A 67 71.235 5.925 -3.524 1.00 0.00 H new ATOM 1094 N ARG A 68 65.442 10.714 -0.705 1.00 0.00 N ATOM 1095 CA ARG A 68 64.009 11.113 -0.550 1.00 0.00 C ATOM 1096 C ARG A 68 63.095 10.082 -1.224 1.00 0.00 C ATOM 1097 O ARG A 68 63.445 9.487 -2.229 1.00 0.00 O ATOM 1098 CB ARG A 68 63.891 12.471 -1.252 1.00 0.00 C ATOM 1099 CG ARG A 68 64.710 13.515 -0.491 1.00 0.00 C ATOM 1100 CD ARG A 68 64.550 14.881 -1.166 1.00 0.00 C ATOM 1101 NE ARG A 68 63.135 15.286 -0.892 1.00 0.00 N ATOM 1102 CZ ARG A 68 62.761 15.739 0.290 1.00 0.00 C ATOM 1103 NH1 ARG A 68 63.609 15.842 1.289 1.00 0.00 N ATOM 1104 NH2 ARG A 68 61.518 16.090 0.473 1.00 0.00 N ATOM 0 H ARG A 68 65.897 11.058 -1.551 1.00 0.00 H new ATOM 0 HA ARG A 68 63.711 11.169 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 68 64.247 12.393 -2.279 1.00 0.00 H new ATOM 0 HB3 ARG A 68 62.846 12.778 -1.299 1.00 0.00 H new ATOM 0 HG2 ARG A 68 64.378 13.569 0.546 1.00 0.00 H new ATOM 0 HG3 ARG A 68 65.761 13.227 -0.474 1.00 0.00 H new ATOM 0 HD2 ARG A 68 65.254 15.607 -0.759 1.00 0.00 H new ATOM 0 HD3 ARG A 68 64.742 14.817 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 68 62.443 15.210 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 68 64.583 15.569 1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 68 63.293 16.195 2.192 1.00 0.00 H new ATOM 0 HH21 ARG A 68 60.848 16.013 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 68 61.216 16.442 1.382 1.00 0.00 H new ATOM 1118 N GLY A 69 61.921 9.867 -0.676 1.00 0.00 N ATOM 1119 CA GLY A 69 60.966 8.883 -1.279 1.00 0.00 C ATOM 1120 C GLY A 69 60.629 9.276 -2.726 1.00 0.00 C ATOM 1121 O GLY A 69 60.294 8.434 -3.538 1.00 0.00 O ATOM 0 H GLY A 69 61.583 10.333 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 69 61.403 7.885 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.053 8.843 -0.685 1.00 0.00 H new ATOM 1125 N SER A 70 60.718 10.545 -3.050 1.00 0.00 N ATOM 1126 CA SER A 70 60.358 11.004 -4.432 1.00 0.00 C ATOM 1127 C SER A 70 61.334 10.435 -5.471 1.00 0.00 C ATOM 1128 O SER A 70 60.935 10.053 -6.556 1.00 0.00 O ATOM 1129 CB SER A 70 60.455 12.531 -4.393 1.00 0.00 C ATOM 1130 OG SER A 70 59.635 13.025 -3.342 1.00 0.00 O ATOM 0 H SER A 70 61.025 11.284 -2.417 1.00 0.00 H new ATOM 0 HA SER A 70 59.363 10.664 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 70 61.489 12.838 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 70 60.137 12.952 -5.347 1.00 0.00 H new ATOM 0 HG SER A 70 59.695 14.003 -3.312 1.00 0.00 H new ATOM 1136 N ASP A 71 62.605 10.378 -5.148 1.00 0.00 N ATOM 1137 CA ASP A 71 63.621 9.946 -6.164 1.00 0.00 C ATOM 1138 C ASP A 71 63.675 8.415 -6.265 1.00 0.00 C ATOM 1139 O ASP A 71 63.946 7.871 -7.319 1.00 0.00 O ATOM 1140 CB ASP A 71 64.965 10.526 -5.692 1.00 0.00 C ATOM 1141 CG ASP A 71 65.347 9.968 -4.314 1.00 0.00 C ATOM 1142 OD1 ASP A 71 65.639 8.787 -4.235 1.00 0.00 O ATOM 1143 OD2 ASP A 71 65.347 10.734 -3.367 1.00 0.00 O ATOM 0 H ASP A 71 62.982 10.611 -4.229 1.00 0.00 H new ATOM 0 HA ASP A 71 63.369 10.307 -7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 71 65.744 10.285 -6.415 1.00 0.00 H new ATOM 0 HB3 ASP A 71 64.900 11.613 -5.644 1.00 0.00 H new ATOM 1148 N ILE A 72 63.423 7.720 -5.181 1.00 0.00 N ATOM 1149 CA ILE A 72 63.399 6.223 -5.237 1.00 0.00 C ATOM 1150 C ILE A 72 61.951 5.717 -5.255 1.00 0.00 C ATOM 1151 O ILE A 72 61.082 6.258 -4.597 1.00 0.00 O ATOM 1152 CB ILE A 72 64.188 5.776 -3.991 1.00 0.00 C ATOM 1153 CG1 ILE A 72 65.686 5.864 -4.315 1.00 0.00 C ATOM 1154 CG2 ILE A 72 63.842 4.329 -3.601 1.00 0.00 C ATOM 1155 CD1 ILE A 72 66.477 6.148 -3.043 1.00 0.00 C ATOM 0 H ILE A 72 63.234 8.123 -4.263 1.00 0.00 H new ATOM 0 HA ILE A 72 63.850 5.812 -6.141 1.00 0.00 H new ATOM 0 HB ILE A 72 63.927 6.424 -3.154 1.00 0.00 H new ATOM 0 HG12 ILE A 72 66.025 4.930 -4.764 1.00 0.00 H new ATOM 0 HG13 ILE A 72 65.863 6.652 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 72 64.415 4.043 -2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 72 62.777 4.256 -3.382 1.00 0.00 H new ATOM 0 HG23 ILE A 72 64.089 3.661 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 72 67.539 6.209 -3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 72 66.147 7.093 -2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 72 66.312 5.345 -2.325 1.00 0.00 H new ATOM 1167 N LYS A 73 61.703 4.673 -6.010 1.00 0.00 N ATOM 1168 CA LYS A 73 60.299 4.272 -6.313 1.00 0.00 C ATOM 1169 C LYS A 73 59.882 3.041 -5.501 1.00 0.00 C ATOM 1170 O LYS A 73 58.705 2.825 -5.275 1.00 0.00 O ATOM 1171 CB LYS A 73 60.299 3.949 -7.808 1.00 0.00 C ATOM 1172 CG LYS A 73 58.859 3.774 -8.296 1.00 0.00 C ATOM 1173 CD LYS A 73 58.864 3.389 -9.777 1.00 0.00 C ATOM 1174 CE LYS A 73 57.428 3.379 -10.306 1.00 0.00 C ATOM 1175 NZ LYS A 73 57.562 3.538 -11.781 1.00 0.00 N ATOM 0 H LYS A 73 62.419 4.081 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 73 59.592 5.060 -6.055 1.00 0.00 H new ATOM 0 HB2 LYS A 73 60.787 4.750 -8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 73 60.870 3.039 -7.994 1.00 0.00 H new ATOM 0 HG2 LYS A 73 58.357 3.004 -7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 73 58.300 4.699 -8.152 1.00 0.00 H new ATOM 0 HD2 LYS A 73 59.468 4.096 -10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 73 59.318 2.406 -9.907 1.00 0.00 H new ATOM 0 HE2 LYS A 73 56.920 2.448 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 73 56.842 4.189 -9.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 56.618 3.541 -12.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 58.043 4.436 -11.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 58.119 2.749 -12.166 1.00 0.00 H new ATOM 1189 N ASP A 74 60.820 2.230 -5.056 1.00 0.00 N ATOM 1190 CA ASP A 74 60.422 0.999 -4.300 1.00 0.00 C ATOM 1191 C ASP A 74 61.510 0.573 -3.312 1.00 0.00 C ATOM 1192 O ASP A 74 62.683 0.552 -3.633 1.00 0.00 O ATOM 1193 CB ASP A 74 60.209 -0.075 -5.367 1.00 0.00 C ATOM 1194 CG ASP A 74 59.486 -1.275 -4.752 1.00 0.00 C ATOM 1195 OD1 ASP A 74 59.866 -1.678 -3.664 1.00 0.00 O ATOM 1196 OD2 ASP A 74 58.566 -1.773 -5.378 1.00 0.00 O ATOM 0 H ASP A 74 61.823 2.365 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 74 59.526 1.170 -3.704 1.00 0.00 H new ATOM 0 HB2 ASP A 74 59.624 0.330 -6.193 1.00 0.00 H new ATOM 0 HB3 ASP A 74 61.169 -0.388 -5.779 1.00 0.00 H new ATOM 1201 N ILE A 75 61.114 0.233 -2.107 1.00 0.00 N ATOM 1202 CA ILE A 75 62.087 -0.272 -1.089 1.00 0.00 C ATOM 1203 C ILE A 75 61.540 -1.553 -0.437 1.00 0.00 C ATOM 1204 O ILE A 75 60.357 -1.663 -0.171 1.00 0.00 O ATOM 1205 CB ILE A 75 62.222 0.869 -0.062 1.00 0.00 C ATOM 1206 CG1 ILE A 75 63.244 0.479 1.010 1.00 0.00 C ATOM 1207 CG2 ILE A 75 60.869 1.154 0.606 1.00 0.00 C ATOM 1208 CD1 ILE A 75 63.646 1.720 1.810 1.00 0.00 C ATOM 0 H ILE A 75 60.148 0.285 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 75 63.054 -0.530 -1.521 1.00 0.00 H new ATOM 0 HB ILE A 75 62.556 1.767 -0.582 1.00 0.00 H new ATOM 0 HG12 ILE A 75 62.820 -0.273 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 75 64.123 0.033 0.544 1.00 0.00 H new ATOM 0 HG21 ILE A 75 60.983 1.962 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 75 60.143 1.445 -0.153 1.00 0.00 H new ATOM 0 HG23 ILE A 75 60.520 0.257 1.117 1.00 0.00 H new ATOM 0 HD11 ILE A 75 64.373 1.441 2.573 1.00 0.00 H new ATOM 0 HD12 ILE A 75 64.087 2.458 1.140 1.00 0.00 H new ATOM 0 HD13 ILE A 75 62.764 2.146 2.288 1.00 0.00 H new ATOM 1220 N ARG A 76 62.393 -2.517 -0.182 1.00 0.00 N ATOM 1221 CA ARG A 76 61.929 -3.788 0.460 1.00 0.00 C ATOM 1222 C ARG A 76 63.026 -4.359 1.366 1.00 0.00 C ATOM 1223 O ARG A 76 64.196 -4.305 1.043 1.00 0.00 O ATOM 1224 CB ARG A 76 61.641 -4.744 -0.699 1.00 0.00 C ATOM 1225 CG ARG A 76 60.439 -4.235 -1.499 1.00 0.00 C ATOM 1226 CD ARG A 76 59.992 -5.315 -2.490 1.00 0.00 C ATOM 1227 NE ARG A 76 58.964 -4.651 -3.351 1.00 0.00 N ATOM 1228 CZ ARG A 76 57.735 -4.434 -2.920 1.00 0.00 C ATOM 1229 NH1 ARG A 76 57.358 -4.778 -1.710 1.00 0.00 N ATOM 1230 NH2 ARG A 76 56.875 -3.859 -3.716 1.00 0.00 N ATOM 0 H ARG A 76 63.391 -2.478 -0.391 1.00 0.00 H new ATOM 0 HA ARG A 76 61.050 -3.632 1.085 1.00 0.00 H new ATOM 0 HB2 ARG A 76 62.515 -4.821 -1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 76 61.439 -5.744 -0.317 1.00 0.00 H new ATOM 0 HG2 ARG A 76 59.620 -3.983 -0.825 1.00 0.00 H new ATOM 0 HG3 ARG A 76 60.704 -3.323 -2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 76 60.831 -5.676 -3.085 1.00 0.00 H new ATOM 0 HD3 ARG A 76 59.574 -6.178 -1.971 1.00 0.00 H new ATOM 0 HE ARG A 76 59.219 -4.359 -4.294 1.00 0.00 H new ATOM 0 HH11 ARG A 76 58.021 -5.225 -1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 76 56.402 -4.598 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 76 57.156 -3.584 -4.657 1.00 0.00 H new ATOM 0 HH22 ARG A 76 55.922 -3.685 -3.397 1.00 0.00 H new ATOM 1244 N VAL A 77 62.648 -4.905 2.498 1.00 0.00 N ATOM 1245 CA VAL A 77 63.657 -5.497 3.434 1.00 0.00 C ATOM 1246 C VAL A 77 63.928 -6.956 3.047 1.00 0.00 C ATOM 1247 O VAL A 77 63.041 -7.658 2.595 1.00 0.00 O ATOM 1248 CB VAL A 77 63.021 -5.414 4.833 1.00 0.00 C ATOM 1249 CG1 VAL A 77 64.000 -5.953 5.882 1.00 0.00 C ATOM 1250 CG2 VAL A 77 62.687 -3.955 5.168 1.00 0.00 C ATOM 0 H VAL A 77 61.680 -4.966 2.815 1.00 0.00 H new ATOM 0 HA VAL A 77 64.611 -4.971 3.401 1.00 0.00 H new ATOM 0 HB VAL A 77 62.109 -6.011 4.840 1.00 0.00 H new ATOM 0 HG11 VAL A 77 63.544 -5.892 6.870 1.00 0.00 H new ATOM 0 HG12 VAL A 77 64.239 -6.992 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 77 64.914 -5.359 5.866 1.00 0.00 H new ATOM 0 HG21 VAL A 77 62.237 -3.903 6.159 1.00 0.00 H new ATOM 0 HG22 VAL A 77 63.600 -3.360 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 77 61.986 -3.564 4.431 1.00 0.00 H new ATOM 1260 N VAL A 78 65.145 -7.414 3.222 1.00 0.00 N ATOM 1261 CA VAL A 78 65.487 -8.820 2.838 1.00 0.00 C ATOM 1262 C VAL A 78 66.399 -9.441 3.903 1.00 0.00 C ATOM 1263 O VAL A 78 67.333 -8.815 4.371 1.00 0.00 O ATOM 1264 CB VAL A 78 66.208 -8.716 1.484 1.00 0.00 C ATOM 1265 CG1 VAL A 78 66.576 -10.116 0.980 1.00 0.00 C ATOM 1266 CG2 VAL A 78 65.291 -8.044 0.456 1.00 0.00 C ATOM 0 H VAL A 78 65.916 -6.874 3.614 1.00 0.00 H new ATOM 0 HA VAL A 78 64.605 -9.456 2.764 1.00 0.00 H new ATOM 0 HB VAL A 78 67.113 -8.122 1.614 1.00 0.00 H new ATOM 0 HG11 VAL A 78 67.086 -10.035 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 78 67.234 -10.601 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 78 65.670 -10.709 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 78 65.808 -7.973 -0.501 1.00 0.00 H new ATOM 0 HG22 VAL A 78 64.384 -8.636 0.336 1.00 0.00 H new ATOM 0 HG23 VAL A 78 65.029 -7.044 0.801 1.00 0.00 H new