USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 416 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 28 THR OG1 : rot 170:sc= -2.14! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.858 USER MOD Single : A 10 SER OG : rot 31:sc= 0.152 USER MOD Single : A 11 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.119) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.106) 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 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 SER OG : rot -55:sc= 0.223 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.721 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 7:sc= 0.672 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.17) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.305 4.099 7.926 1.00 15.00 N ATOM 162 CA SER A 10 63.438 2.891 8.115 1.00 15.00 C ATOM 163 C SER A 10 63.660 1.890 6.975 1.00 15.00 C ATOM 164 O SER A 10 64.122 2.247 5.908 1.00 15.00 O ATOM 165 CB SER A 10 62.003 3.418 8.090 1.00 15.00 C ATOM 166 OG SER A 10 61.822 4.339 9.158 1.00 15.00 O ATOM 0 HA SER A 10 63.664 2.369 9.045 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.799 3.905 7.136 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.298 2.592 8.184 1.00 15.00 H new ATOM 0 HG SER A 10 62.670 4.793 9.345 1.00 15.00 H new ATOM 172 N LYS A 11 63.331 0.641 7.201 1.00 15.00 N ATOM 173 CA LYS A 11 63.524 -0.406 6.145 1.00 15.00 C ATOM 174 C LYS A 11 62.294 -0.468 5.233 1.00 15.00 C ATOM 175 O LYS A 11 61.169 -0.486 5.701 1.00 15.00 O ATOM 176 CB LYS A 11 63.683 -1.729 6.906 1.00 15.00 C ATOM 177 CG LYS A 11 64.923 -1.671 7.803 1.00 15.00 C ATOM 178 CD LYS A 11 65.251 -3.076 8.314 1.00 15.00 C ATOM 179 CE LYS A 11 64.216 -3.494 9.363 1.00 15.00 C ATOM 180 NZ LYS A 11 64.678 -2.864 10.631 1.00 15.00 N ATOM 0 H LYS A 11 62.935 0.299 8.076 1.00 15.00 H new ATOM 0 HA LYS A 11 64.387 -0.193 5.514 1.00 15.00 H new ATOM 0 HB2 LYS A 11 62.796 -1.920 7.510 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.772 -2.555 6.201 1.00 15.00 H new ATOM 0 HG2 LYS A 11 65.769 -1.269 7.246 1.00 15.00 H new ATOM 0 HG3 LYS A 11 64.746 -0.999 8.643 1.00 15.00 H new ATOM 0 HD2 LYS A 11 65.251 -3.785 7.486 1.00 15.00 H new ATOM 0 HD3 LYS A 11 66.251 -3.092 8.748 1.00 15.00 H new ATOM 0 HE2 LYS A 11 63.218 -3.150 9.092 1.00 15.00 H new ATOM 0 HE3 LYS A 11 64.165 -4.579 9.457 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 65.005 -3.602 11.286 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 65.460 -2.209 10.428 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 63.891 -2.340 11.065 1.00 15.00 H new ATOM 194 N ILE A 12 62.497 -0.501 3.936 1.00 15.00 N ATOM 195 CA ILE A 12 61.338 -0.544 2.990 1.00 15.00 C ATOM 196 C ILE A 12 61.579 -1.605 1.910 1.00 15.00 C ATOM 197 O ILE A 12 62.704 -1.856 1.512 1.00 15.00 O ATOM 198 CB ILE A 12 61.255 0.862 2.369 1.00 15.00 C ATOM 199 CG1 ILE A 12 61.007 1.903 3.472 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.099 0.915 1.358 1.00 15.00 C ATOM 201 CD1 ILE A 12 61.095 3.314 2.884 1.00 15.00 C ATOM 0 H ILE A 12 63.416 -0.500 3.493 1.00 15.00 H new ATOM 0 HA ILE A 12 60.408 -0.809 3.494 1.00 15.00 H new ATOM 0 HB ILE A 12 62.195 1.082 1.863 1.00 15.00 H new ATOM 0 HG12 ILE A 12 60.025 1.746 3.919 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.742 1.785 4.268 1.00 15.00 H new ATOM 0 HG21 ILE A 12 60.044 1.912 0.921 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.271 0.182 0.570 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.161 0.689 1.865 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.918 4.048 3.671 1.00 15.00 H new ATOM 0 HD12 ILE A 12 62.086 3.470 2.459 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.343 3.431 2.104 1.00 15.00 H new ATOM 213 N SER A 13 60.523 -2.225 1.441 1.00 15.00 N ATOM 214 CA SER A 13 60.641 -3.195 0.314 1.00 15.00 C ATOM 215 C SER A 13 59.855 -2.676 -0.893 1.00 15.00 C ATOM 216 O SER A 13 58.704 -2.295 -0.775 1.00 15.00 O ATOM 217 CB SER A 13 60.028 -4.491 0.840 1.00 15.00 C ATOM 218 OG SER A 13 60.199 -5.517 -0.129 1.00 15.00 O ATOM 0 H SER A 13 59.576 -2.097 1.797 1.00 15.00 H new ATOM 0 HA SER A 13 61.672 -3.341 -0.009 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.504 -4.778 1.778 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.968 -4.347 1.051 1.00 15.00 H new ATOM 0 HG SER A 13 59.808 -6.351 0.205 1.00 15.00 H new ATOM 224 N LEU A 14 60.470 -2.660 -2.048 1.00 15.00 N ATOM 225 CA LEU A 14 59.804 -2.095 -3.259 1.00 15.00 C ATOM 226 C LEU A 14 59.670 -3.172 -4.339 1.00 15.00 C ATOM 227 O LEU A 14 60.590 -3.929 -4.584 1.00 15.00 O ATOM 228 CB LEU A 14 60.740 -0.980 -3.728 1.00 15.00 C ATOM 229 CG LEU A 14 59.952 0.044 -4.543 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.065 0.866 -3.607 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.928 0.974 -5.269 1.00 15.00 C ATOM 0 H LEU A 14 61.413 -3.017 -2.204 1.00 15.00 H new ATOM 0 HA LEU A 14 58.798 -1.729 -3.051 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.204 -0.496 -2.869 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.545 -1.398 -4.332 1.00 15.00 H new ATOM 0 HG LEU A 14 59.329 -0.472 -5.273 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.502 1.597 -4.188 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.372 0.204 -3.088 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.688 1.384 -2.877 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.368 1.706 -5.851 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.550 1.491 -4.538 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.562 0.388 -5.935 1.00 15.00 H new ATOM 243 N ILE A 15 58.531 -3.242 -4.983 1.00 15.00 N ATOM 244 CA ILE A 15 58.330 -4.255 -6.067 1.00 15.00 C ATOM 245 C ILE A 15 58.181 -3.532 -7.410 1.00 15.00 C ATOM 246 O ILE A 15 57.305 -2.700 -7.576 1.00 15.00 O ATOM 247 CB ILE A 15 57.038 -5.003 -5.696 1.00 15.00 C ATOM 248 CG1 ILE A 15 57.204 -5.681 -4.330 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.736 -6.073 -6.750 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.839 -6.155 -3.824 1.00 15.00 C ATOM 0 H ILE A 15 57.728 -2.639 -4.804 1.00 15.00 H new ATOM 0 HA ILE A 15 59.168 -4.946 -6.160 1.00 15.00 H new ATOM 0 HB ILE A 15 56.217 -4.288 -5.654 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.886 -6.527 -4.413 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.645 -4.984 -3.618 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.820 -6.599 -6.482 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.611 -5.599 -7.724 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.562 -6.783 -6.795 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.958 -6.637 -2.853 1.00 15.00 H new ATOM 0 HD12 ILE A 15 55.171 -5.300 -3.725 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.415 -6.867 -4.533 1.00 15.00 H new ATOM 262 N SER A 16 59.026 -3.849 -8.361 1.00 15.00 N ATOM 263 CA SER A 16 59.036 -3.089 -9.651 1.00 15.00 C ATOM 264 C SER A 16 58.147 -3.778 -10.695 1.00 15.00 C ATOM 265 O SER A 16 57.680 -4.882 -10.495 1.00 15.00 O ATOM 266 CB SER A 16 60.498 -3.097 -10.104 1.00 15.00 C ATOM 267 OG SER A 16 61.183 -2.012 -9.493 1.00 15.00 O ATOM 0 H SER A 16 59.711 -4.603 -8.300 1.00 15.00 H new ATOM 0 HA SER A 16 58.648 -2.078 -9.530 1.00 15.00 H new ATOM 0 HB2 SER A 16 60.970 -4.041 -9.831 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.555 -3.014 -11.189 1.00 15.00 H new ATOM 0 HG SER A 16 62.120 -2.014 -9.779 1.00 15.00 H new ATOM 273 N LYS A 17 57.918 -3.126 -11.811 1.00 15.00 N ATOM 274 CA LYS A 17 57.041 -3.718 -12.880 1.00 15.00 C ATOM 275 C LYS A 17 57.616 -5.042 -13.412 1.00 15.00 C ATOM 276 O LYS A 17 56.917 -5.808 -14.050 1.00 15.00 O ATOM 277 CB LYS A 17 57.000 -2.673 -13.998 1.00 15.00 C ATOM 278 CG LYS A 17 55.988 -1.582 -13.642 1.00 15.00 C ATOM 279 CD LYS A 17 55.950 -0.536 -14.758 1.00 15.00 C ATOM 280 CE LYS A 17 55.012 0.605 -14.357 1.00 15.00 C ATOM 281 NZ LYS A 17 53.641 0.090 -14.630 1.00 15.00 N ATOM 0 H LYS A 17 58.301 -2.206 -12.031 1.00 15.00 H new ATOM 0 HA LYS A 17 56.049 -3.948 -12.490 1.00 15.00 H new ATOM 0 HB2 LYS A 17 57.988 -2.235 -14.137 1.00 15.00 H new ATOM 0 HB3 LYS A 17 56.725 -3.145 -14.941 1.00 15.00 H new ATOM 0 HG2 LYS A 17 54.999 -2.019 -13.505 1.00 15.00 H new ATOM 0 HG3 LYS A 17 56.262 -1.112 -12.698 1.00 15.00 H new ATOM 0 HD2 LYS A 17 56.952 -0.149 -14.943 1.00 15.00 H new ATOM 0 HD3 LYS A 17 55.608 -0.992 -15.687 1.00 15.00 H new ATOM 0 HE2 LYS A 17 55.134 0.865 -13.306 1.00 15.00 H new ATOM 0 HE3 LYS A 17 55.217 1.506 -14.934 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 53.184 0.684 -15.351 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 53.700 -0.889 -14.975 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 53.080 0.115 -13.755 1.00 15.00 H new ATOM 295 N ALA A 18 58.876 -5.319 -13.159 1.00 15.00 N ATOM 296 CA ALA A 18 59.484 -6.600 -13.647 1.00 15.00 C ATOM 297 C ALA A 18 59.279 -7.739 -12.633 1.00 15.00 C ATOM 298 O ALA A 18 59.909 -8.775 -12.734 1.00 15.00 O ATOM 299 CB ALA A 18 60.976 -6.295 -13.807 1.00 15.00 C ATOM 0 H ALA A 18 59.508 -4.713 -12.636 1.00 15.00 H new ATOM 0 HA ALA A 18 59.023 -6.931 -14.578 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.493 -7.186 -14.162 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.107 -5.488 -14.527 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.391 -5.994 -12.845 1.00 15.00 H new ATOM 305 N GLU A 19 58.407 -7.559 -11.656 1.00 15.00 N ATOM 306 CA GLU A 19 58.142 -8.632 -10.634 1.00 15.00 C ATOM 307 C GLU A 19 59.441 -9.046 -9.933 1.00 15.00 C ATOM 308 O GLU A 19 59.593 -10.177 -9.506 1.00 15.00 O ATOM 309 CB GLU A 19 57.526 -9.814 -11.397 1.00 15.00 C ATOM 310 CG GLU A 19 56.033 -9.554 -11.621 1.00 15.00 C ATOM 311 CD GLU A 19 55.286 -9.654 -10.287 1.00 15.00 C ATOM 312 OE1 GLU A 19 55.561 -10.582 -9.544 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.452 -8.800 -10.033 1.00 15.00 O ATOM 0 H GLU A 19 57.864 -6.706 -11.524 1.00 15.00 H new ATOM 0 HA GLU A 19 57.467 -8.278 -9.855 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.031 -9.946 -12.354 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.665 -10.737 -10.834 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.887 -8.566 -12.057 1.00 15.00 H new ATOM 0 HG3 GLU A 19 55.630 -10.278 -12.330 1.00 15.00 H new ATOM 320 N ILE A 20 60.375 -8.133 -9.817 1.00 15.00 N ATOM 321 CA ILE A 20 61.593 -8.391 -8.993 1.00 15.00 C ATOM 322 C ILE A 20 61.474 -7.611 -7.678 1.00 15.00 C ATOM 323 O ILE A 20 60.962 -6.504 -7.653 1.00 15.00 O ATOM 324 CB ILE A 20 62.776 -7.880 -9.832 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.860 -8.670 -11.143 1.00 15.00 C ATOM 326 CG2 ILE A 20 64.084 -8.064 -9.054 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.804 -7.954 -12.110 1.00 15.00 C ATOM 0 H ILE A 20 60.344 -7.215 -10.261 1.00 15.00 H new ATOM 0 HA ILE A 20 61.722 -9.444 -8.744 1.00 15.00 H new ATOM 0 HB ILE A 20 62.624 -6.822 -10.048 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.219 -9.681 -10.949 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.869 -8.764 -11.588 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.918 -7.700 -9.654 1.00 15.00 H new ATOM 0 HG22 ILE A 20 64.035 -7.502 -8.122 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.230 -9.121 -8.833 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.864 -8.515 -13.042 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.425 -6.952 -12.313 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.796 -7.883 -11.664 1.00 15.00 H new ATOM 339 N ARG A 21 61.941 -8.180 -6.595 1.00 15.00 N ATOM 340 CA ARG A 21 61.804 -7.507 -5.268 1.00 15.00 C ATOM 341 C ARG A 21 63.141 -6.899 -4.837 1.00 15.00 C ATOM 342 O ARG A 21 64.138 -7.588 -4.724 1.00 15.00 O ATOM 343 CB ARG A 21 61.383 -8.617 -4.305 1.00 15.00 C ATOM 344 CG ARG A 21 60.975 -8.005 -2.963 1.00 15.00 C ATOM 345 CD ARG A 21 60.651 -9.121 -1.966 1.00 15.00 C ATOM 346 NE ARG A 21 59.414 -9.775 -2.499 1.00 15.00 N ATOM 347 CZ ARG A 21 58.227 -9.210 -2.378 1.00 15.00 C ATOM 348 NH1 ARG A 21 58.074 -8.041 -1.799 1.00 15.00 N ATOM 349 NH2 ARG A 21 57.179 -9.828 -2.850 1.00 15.00 N ATOM 0 H ARG A 21 62.412 -9.084 -6.573 1.00 15.00 H new ATOM 0 HA ARG A 21 61.082 -6.691 -5.293 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.551 -9.182 -4.726 1.00 15.00 H new ATOM 0 HB3 ARG A 21 62.205 -9.319 -4.161 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.781 -7.381 -2.576 1.00 15.00 H new ATOM 0 HG3 ARG A 21 60.107 -7.359 -3.095 1.00 15.00 H new ATOM 0 HD2 ARG A 21 61.473 -9.834 -1.892 1.00 15.00 H new ATOM 0 HD3 ARG A 21 60.485 -8.720 -0.966 1.00 15.00 H new ATOM 0 HE ARG A 21 59.490 -10.678 -2.967 1.00 15.00 H new ATOM 0 HH11 ARG A 21 58.885 -7.545 -1.429 1.00 15.00 H new ATOM 0 HH12 ARG A 21 57.144 -7.629 -1.720 1.00 15.00 H new ATOM 0 HH21 ARG A 21 57.284 -10.735 -3.305 1.00 15.00 H new ATOM 0 HH22 ARG A 21 56.255 -9.404 -2.764 1.00 15.00 H new ATOM 363 N TYR A 22 63.162 -5.611 -4.597 1.00 15.00 N ATOM 364 CA TYR A 22 64.399 -4.947 -4.086 1.00 15.00 C ATOM 365 C TYR A 22 64.181 -4.494 -2.641 1.00 15.00 C ATOM 366 O TYR A 22 63.176 -3.887 -2.328 1.00 15.00 O ATOM 367 CB TYR A 22 64.600 -3.728 -4.988 1.00 15.00 C ATOM 368 CG TYR A 22 64.977 -4.066 -6.411 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.341 -4.116 -6.789 1.00 15.00 C ATOM 370 CD2 TYR A 22 63.965 -4.325 -7.369 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.693 -4.425 -8.125 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.318 -4.635 -8.705 1.00 15.00 C ATOM 373 CZ TYR A 22 65.682 -4.684 -9.084 1.00 15.00 C ATOM 374 OH TYR A 22 66.026 -4.984 -10.386 1.00 15.00 O ATOM 0 H TYR A 22 62.367 -4.987 -4.735 1.00 15.00 H new ATOM 0 HA TYR A 22 65.261 -5.614 -4.099 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.681 -3.141 -4.997 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.377 -3.096 -4.558 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.112 -3.919 -6.059 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.925 -4.286 -7.080 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.733 -4.463 -8.414 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.547 -4.834 -9.435 1.00 15.00 H new ATOM 0 HH TYR A 22 65.213 -5.135 -10.913 1.00 15.00 H new ATOM 384 N GLU A 23 65.107 -4.783 -1.763 1.00 15.00 N ATOM 385 CA GLU A 23 64.997 -4.273 -0.361 1.00 15.00 C ATOM 386 C GLU A 23 66.152 -3.317 -0.066 1.00 15.00 C ATOM 387 O GLU A 23 67.273 -3.546 -0.477 1.00 15.00 O ATOM 388 CB GLU A 23 65.089 -5.517 0.525 1.00 15.00 C ATOM 389 CG GLU A 23 64.760 -5.141 1.971 1.00 15.00 C ATOM 390 CD GLU A 23 64.937 -6.365 2.872 1.00 15.00 C ATOM 391 OE1 GLU A 23 64.129 -7.273 2.770 1.00 15.00 O ATOM 392 OE2 GLU A 23 65.877 -6.372 3.649 1.00 15.00 O ATOM 0 H GLU A 23 65.934 -5.349 -1.955 1.00 15.00 H new ATOM 0 HA GLU A 23 64.072 -3.723 -0.189 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.397 -6.281 0.170 1.00 15.00 H new ATOM 0 HB3 GLU A 23 66.091 -5.943 0.468 1.00 15.00 H new ATOM 0 HG2 GLU A 23 65.412 -4.334 2.305 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.736 -4.773 2.038 1.00 15.00 H new ATOM 399 N GLY A 24 65.880 -2.252 0.645 1.00 15.00 N ATOM 400 CA GLY A 24 66.948 -1.260 0.967 1.00 15.00 C ATOM 401 C GLY A 24 66.449 -0.340 2.080 1.00 15.00 C ATOM 402 O GLY A 24 65.345 -0.497 2.569 1.00 15.00 O ATOM 0 H GLY A 24 64.958 -2.027 1.018 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.857 -1.773 1.281 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.201 -0.677 0.081 1.00 15.00 H new ATOM 406 N ILE A 25 67.247 0.619 2.486 1.00 15.00 N ATOM 407 CA ILE A 25 66.802 1.550 3.573 1.00 15.00 C ATOM 408 C ILE A 25 66.528 2.937 2.987 1.00 15.00 C ATOM 409 O ILE A 25 67.226 3.392 2.099 1.00 15.00 O ATOM 410 CB ILE A 25 67.954 1.617 4.594 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.514 0.209 4.903 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.438 2.250 5.890 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.396 -0.733 5.378 1.00 15.00 C ATOM 0 H ILE A 25 68.180 0.797 2.115 1.00 15.00 H new ATOM 0 HA ILE A 25 65.884 1.201 4.046 1.00 15.00 H new ATOM 0 HB ILE A 25 68.757 2.218 4.168 1.00 15.00 H new ATOM 0 HG12 ILE A 25 68.987 -0.202 4.012 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.286 0.280 5.670 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.248 2.301 6.618 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.072 3.256 5.683 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.626 1.644 6.293 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.815 -1.717 5.589 1.00 15.00 H new ATOM 0 HD12 ILE A 25 66.941 -0.330 6.283 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.638 -0.820 4.599 1.00 15.00 H new ATOM 425 N LEU A 26 65.514 3.607 3.479 1.00 15.00 N ATOM 426 CA LEU A 26 65.153 4.955 2.929 1.00 15.00 C ATOM 427 C LEU A 26 66.262 5.964 3.230 1.00 15.00 C ATOM 428 O LEU A 26 66.452 6.359 4.364 1.00 15.00 O ATOM 429 CB LEU A 26 63.862 5.351 3.651 1.00 15.00 C ATOM 430 CG LEU A 26 63.190 6.508 2.908 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.495 5.979 1.649 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.155 7.164 3.824 1.00 15.00 C ATOM 0 H LEU A 26 64.919 3.279 4.239 1.00 15.00 H new ATOM 0 HA LEU A 26 65.025 4.934 1.847 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.186 4.497 3.702 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.083 5.645 4.677 1.00 15.00 H new ATOM 0 HG LEU A 26 63.944 7.241 2.622 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.018 6.805 1.122 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.232 5.510 0.997 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.741 5.245 1.931 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.674 7.989 3.298 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.403 6.428 4.109 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.649 7.543 4.719 1.00 15.00 H new ATOM 444 N TYR A 27 66.990 6.380 2.221 1.00 15.00 N ATOM 445 CA TYR A 27 68.120 7.332 2.447 1.00 15.00 C ATOM 446 C TYR A 27 67.639 8.777 2.292 1.00 15.00 C ATOM 447 O TYR A 27 67.853 9.605 3.159 1.00 15.00 O ATOM 448 CB TYR A 27 69.151 6.991 1.371 1.00 15.00 C ATOM 449 CG TYR A 27 70.436 7.776 1.502 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.243 7.623 2.656 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.830 8.666 0.473 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.445 8.360 2.781 1.00 15.00 C ATOM 453 CE2 TYR A 27 72.034 9.403 0.600 1.00 15.00 C ATOM 454 CZ TYR A 27 72.841 9.249 1.753 1.00 15.00 C ATOM 455 OH TYR A 27 74.014 9.968 1.875 1.00 15.00 O ATOM 0 H TYR A 27 66.849 6.100 1.250 1.00 15.00 H new ATOM 0 HA TYR A 27 68.535 7.244 3.451 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.378 5.926 1.420 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.717 7.180 0.389 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.941 6.944 3.440 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.214 8.783 -0.407 1.00 15.00 H new ATOM 0 HE1 TYR A 27 73.060 8.244 3.661 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.336 10.082 -0.183 1.00 15.00 H new ATOM 0 HH TYR A 27 74.137 10.530 1.081 1.00 15.00 H new ATOM 465 N THR A 28 66.990 9.085 1.194 1.00 15.00 N ATOM 466 CA THR A 28 66.503 10.483 0.972 1.00 15.00 C ATOM 467 C THR A 28 65.160 10.473 0.238 1.00 15.00 C ATOM 468 O THR A 28 64.919 9.644 -0.620 1.00 15.00 O ATOM 469 CB THR A 28 67.579 11.151 0.113 1.00 15.00 C ATOM 470 OG1 THR A 28 67.928 10.294 -0.965 1.00 15.00 O ATOM 471 CG2 THR A 28 68.817 11.432 0.967 1.00 15.00 C ATOM 0 H THR A 28 66.777 8.429 0.443 1.00 15.00 H new ATOM 0 HA THR A 28 66.344 11.013 1.911 1.00 15.00 H new ATOM 0 HB THR A 28 67.193 12.090 -0.283 1.00 15.00 H new ATOM 0 HG1 THR A 28 68.493 10.781 -1.601 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.582 11.908 0.353 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.549 12.094 1.790 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.204 10.495 1.367 1.00 15.00 H new ATOM 479 N ILE A 29 64.287 11.392 0.574 1.00 15.00 N ATOM 480 CA ILE A 29 62.934 11.431 -0.069 1.00 15.00 C ATOM 481 C ILE A 29 62.777 12.733 -0.865 1.00 15.00 C ATOM 482 O ILE A 29 62.951 13.815 -0.333 1.00 15.00 O ATOM 483 CB ILE A 29 61.927 11.385 1.095 1.00 15.00 C ATOM 484 CG1 ILE A 29 62.147 10.123 1.941 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.498 11.369 0.541 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.366 10.243 3.253 1.00 15.00 C ATOM 0 H ILE A 29 64.453 12.120 1.269 1.00 15.00 H new ATOM 0 HA ILE A 29 62.781 10.605 -0.763 1.00 15.00 H new ATOM 0 HB ILE A 29 62.075 12.267 1.718 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.819 9.242 1.390 1.00 15.00 H new ATOM 0 HG13 ILE A 29 63.209 9.992 2.149 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.788 11.336 1.367 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.327 12.269 -0.050 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.362 10.490 -0.089 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.523 9.347 3.853 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.715 11.115 3.806 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.304 10.353 3.035 1.00 15.00 H new ATOM 498 N ASP A 30 62.452 12.635 -2.133 1.00 15.00 N ATOM 499 CA ASP A 30 62.222 13.863 -2.953 1.00 15.00 C ATOM 500 C ASP A 30 60.743 13.960 -3.337 1.00 15.00 C ATOM 501 O ASP A 30 60.302 13.345 -4.290 1.00 15.00 O ATOM 502 CB ASP A 30 63.090 13.679 -4.197 1.00 15.00 C ATOM 503 CG ASP A 30 63.131 14.985 -4.991 1.00 15.00 C ATOM 504 OD1 ASP A 30 64.030 15.775 -4.749 1.00 15.00 O ATOM 505 OD2 ASP A 30 62.262 15.176 -5.826 1.00 15.00 O ATOM 0 H ASP A 30 62.336 11.754 -2.634 1.00 15.00 H new ATOM 0 HA ASP A 30 62.476 14.777 -2.416 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.099 13.385 -3.908 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.689 12.877 -4.817 1.00 15.00 H new ATOM 510 N THR A 31 59.979 14.730 -2.601 1.00 15.00 N ATOM 511 CA THR A 31 58.508 14.820 -2.870 1.00 15.00 C ATOM 512 C THR A 31 58.248 15.591 -4.168 1.00 15.00 C ATOM 513 O THR A 31 57.348 15.268 -4.918 1.00 15.00 O ATOM 514 CB THR A 31 57.920 15.573 -1.674 1.00 15.00 C ATOM 515 OG1 THR A 31 58.381 14.977 -0.469 1.00 15.00 O ATOM 516 CG2 THR A 31 56.392 15.506 -1.725 1.00 15.00 C ATOM 0 H THR A 31 60.311 15.301 -1.824 1.00 15.00 H new ATOM 0 HA THR A 31 58.057 13.835 -2.990 1.00 15.00 H new ATOM 0 HB THR A 31 58.236 16.615 -1.710 1.00 15.00 H new ATOM 0 HG1 THR A 31 58.007 15.459 0.298 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.976 16.043 -0.873 1.00 15.00 H new ATOM 0 HG22 THR A 31 56.038 15.963 -2.649 1.00 15.00 H new ATOM 0 HG23 THR A 31 56.072 14.465 -1.689 1.00 15.00 H new ATOM 524 N GLU A 32 59.039 16.601 -4.440 1.00 15.00 N ATOM 525 CA GLU A 32 58.733 17.525 -5.585 1.00 15.00 C ATOM 526 C GLU A 32 58.674 16.760 -6.913 1.00 15.00 C ATOM 527 O GLU A 32 57.962 17.145 -7.824 1.00 15.00 O ATOM 528 CB GLU A 32 59.882 18.538 -5.608 1.00 15.00 C ATOM 529 CG GLU A 32 59.823 19.407 -4.350 1.00 15.00 C ATOM 530 CD GLU A 32 60.910 20.481 -4.421 1.00 15.00 C ATOM 531 OE1 GLU A 32 62.062 20.146 -4.204 1.00 15.00 O ATOM 532 OE2 GLU A 32 60.571 21.623 -4.691 1.00 15.00 O ATOM 0 H GLU A 32 59.886 16.828 -3.919 1.00 15.00 H new ATOM 0 HA GLU A 32 57.762 18.005 -5.459 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.838 18.018 -5.659 1.00 15.00 H new ATOM 0 HB3 GLU A 32 59.812 19.163 -6.498 1.00 15.00 H new ATOM 0 HG2 GLU A 32 58.842 19.873 -4.263 1.00 15.00 H new ATOM 0 HG3 GLU A 32 59.963 18.790 -3.462 1.00 15.00 H new ATOM 539 N ASN A 33 59.414 15.684 -7.029 1.00 15.00 N ATOM 540 CA ASN A 33 59.453 14.930 -8.325 1.00 15.00 C ATOM 541 C ASN A 33 58.882 13.511 -8.170 1.00 15.00 C ATOM 542 O ASN A 33 59.060 12.676 -9.037 1.00 15.00 O ATOM 543 CB ASN A 33 60.937 14.865 -8.698 1.00 15.00 C ATOM 544 CG ASN A 33 61.453 16.271 -9.022 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.714 17.113 -9.494 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.704 16.561 -8.790 1.00 15.00 N ATOM 0 H ASN A 33 59.992 15.294 -6.285 1.00 15.00 H new ATOM 0 HA ASN A 33 58.848 15.420 -9.088 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.510 14.438 -7.875 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.077 14.209 -9.557 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.060 17.493 -9.005 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.326 15.856 -8.394 1.00 15.00 H new ATOM 553 N SER A 34 58.194 13.227 -7.078 1.00 15.00 N ATOM 554 CA SER A 34 57.671 11.838 -6.825 1.00 15.00 C ATOM 555 C SER A 34 58.780 10.784 -7.007 1.00 15.00 C ATOM 556 O SER A 34 58.602 9.791 -7.691 1.00 15.00 O ATOM 557 CB SER A 34 56.553 11.634 -7.852 1.00 15.00 C ATOM 558 OG SER A 34 55.855 10.431 -7.554 1.00 15.00 O ATOM 0 H SER A 34 57.972 13.904 -6.348 1.00 15.00 H new ATOM 0 HA SER A 34 57.311 11.725 -5.803 1.00 15.00 H new ATOM 0 HB2 SER A 34 55.867 12.481 -7.833 1.00 15.00 H new ATOM 0 HB3 SER A 34 56.971 11.586 -8.857 1.00 15.00 H new ATOM 0 HG SER A 34 56.489 9.684 -7.521 1.00 15.00 H new ATOM 564 N THR A 35 59.922 10.999 -6.394 1.00 15.00 N ATOM 565 CA THR A 35 61.059 10.041 -6.552 1.00 15.00 C ATOM 566 C THR A 35 61.667 9.701 -5.189 1.00 15.00 C ATOM 567 O THR A 35 61.687 10.519 -4.285 1.00 15.00 O ATOM 568 CB THR A 35 62.082 10.772 -7.427 1.00 15.00 C ATOM 569 OG1 THR A 35 62.284 12.084 -6.919 1.00 15.00 O ATOM 570 CG2 THR A 35 61.576 10.856 -8.871 1.00 15.00 C ATOM 0 H THR A 35 60.113 11.799 -5.791 1.00 15.00 H new ATOM 0 HA THR A 35 60.739 9.100 -6.999 1.00 15.00 H new ATOM 0 HB THR A 35 63.023 10.222 -7.412 1.00 15.00 H new ATOM 0 HG1 THR A 35 62.939 12.553 -7.476 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.311 11.378 -9.484 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.425 9.850 -9.263 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.632 11.400 -8.895 1.00 15.00 H new ATOM 578 N VAL A 36 62.165 8.499 -5.037 1.00 15.00 N ATOM 579 CA VAL A 36 62.784 8.089 -3.738 1.00 15.00 C ATOM 580 C VAL A 36 64.160 7.467 -4.000 1.00 15.00 C ATOM 581 O VAL A 36 64.336 6.704 -4.932 1.00 15.00 O ATOM 582 CB VAL A 36 61.818 7.053 -3.138 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.349 6.568 -1.786 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.438 7.688 -2.932 1.00 15.00 C ATOM 0 H VAL A 36 62.169 7.780 -5.761 1.00 15.00 H new ATOM 0 HA VAL A 36 62.934 8.930 -3.060 1.00 15.00 H new ATOM 0 HB VAL A 36 61.737 6.210 -3.824 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.660 5.835 -1.366 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.328 6.109 -1.923 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.437 7.414 -1.105 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.758 6.950 -2.507 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.525 8.535 -2.252 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.048 8.031 -3.891 1.00 15.00 H new ATOM 594 N ALA A 37 65.133 7.790 -3.181 1.00 15.00 N ATOM 595 CA ALA A 37 66.494 7.194 -3.352 1.00 15.00 C ATOM 596 C ALA A 37 66.795 6.244 -2.190 1.00 15.00 C ATOM 597 O ALA A 37 66.666 6.610 -1.034 1.00 15.00 O ATOM 598 CB ALA A 37 67.464 8.381 -3.346 1.00 15.00 C ATOM 0 H ALA A 37 65.042 8.441 -2.401 1.00 15.00 H new ATOM 0 HA ALA A 37 66.579 6.615 -4.272 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.484 8.018 -3.468 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.219 9.055 -4.166 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.379 8.915 -2.400 1.00 15.00 H new ATOM 604 N LEU A 38 67.199 5.033 -2.493 1.00 15.00 N ATOM 605 CA LEU A 38 67.476 4.032 -1.417 1.00 15.00 C ATOM 606 C LEU A 38 68.954 3.640 -1.443 1.00 15.00 C ATOM 607 O LEU A 38 69.528 3.433 -2.496 1.00 15.00 O ATOM 608 CB LEU A 38 66.604 2.815 -1.752 1.00 15.00 C ATOM 609 CG LEU A 38 65.118 3.191 -1.723 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.283 1.988 -2.167 1.00 15.00 C ATOM 611 CD2 LEU A 38 64.709 3.591 -0.302 1.00 15.00 C ATOM 0 H LEU A 38 67.349 4.695 -3.444 1.00 15.00 H new ATOM 0 HA LEU A 38 67.255 4.427 -0.425 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.868 2.432 -2.738 1.00 15.00 H new ATOM 0 HB3 LEU A 38 66.796 2.015 -1.037 1.00 15.00 H new ATOM 0 HG LEU A 38 64.947 4.030 -2.397 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.226 2.252 -2.148 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.567 1.702 -3.180 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.461 1.152 -1.490 1.00 15.00 H new ATOM 0 HD21 LEU A 38 63.652 3.857 -0.289 1.00 15.00 H new ATOM 0 HD22 LEU A 38 64.881 2.754 0.375 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.302 4.447 0.020 1.00 15.00 H new ATOM 623 N ALA A 39 69.568 3.538 -0.290 1.00 15.00 N ATOM 624 CA ALA A 39 71.001 3.122 -0.231 1.00 15.00 C ATOM 625 C ALA A 39 71.116 1.756 0.450 1.00 15.00 C ATOM 626 O ALA A 39 70.187 1.298 1.094 1.00 15.00 O ATOM 627 CB ALA A 39 71.695 4.199 0.603 1.00 15.00 C ATOM 0 H ALA A 39 69.136 3.726 0.615 1.00 15.00 H new ATOM 0 HA ALA A 39 71.449 3.028 -1.220 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.755 3.963 0.692 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.578 5.167 0.117 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.247 4.235 1.596 1.00 15.00 H new ATOM 633 N LYS A 40 72.251 1.101 0.309 1.00 15.00 N ATOM 634 CA LYS A 40 72.437 -0.272 0.899 1.00 15.00 C ATOM 635 C LYS A 40 71.287 -1.200 0.475 1.00 15.00 C ATOM 636 O LYS A 40 70.592 -1.768 1.301 1.00 15.00 O ATOM 637 CB LYS A 40 72.451 -0.070 2.421 1.00 15.00 C ATOM 638 CG LYS A 40 73.687 0.740 2.818 1.00 15.00 C ATOM 639 CD LYS A 40 73.762 0.843 4.343 1.00 15.00 C ATOM 640 CE LYS A 40 74.928 1.752 4.737 1.00 15.00 C ATOM 641 NZ LYS A 40 74.675 2.105 6.161 1.00 15.00 N ATOM 0 H LYS A 40 73.062 1.461 -0.193 1.00 15.00 H new ATOM 0 HA LYS A 40 73.358 -0.741 0.553 1.00 15.00 H new ATOM 0 HB2 LYS A 40 71.546 0.449 2.738 1.00 15.00 H new ATOM 0 HB3 LYS A 40 72.458 -1.036 2.926 1.00 15.00 H new ATOM 0 HG2 LYS A 40 74.587 0.263 2.430 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.639 1.736 2.378 1.00 15.00 H new ATOM 0 HD2 LYS A 40 72.827 1.241 4.737 1.00 15.00 H new ATOM 0 HD3 LYS A 40 73.896 -0.147 4.779 1.00 15.00 H new ATOM 0 HE2 LYS A 40 75.884 1.241 4.621 1.00 15.00 H new ATOM 0 HE3 LYS A 40 74.964 2.643 4.110 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 75.434 2.728 6.504 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 73.761 2.596 6.240 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 74.653 1.238 6.735 1.00 15.00 H new ATOM 655 N VAL A 41 71.088 -1.354 -0.812 1.00 15.00 N ATOM 656 CA VAL A 41 69.914 -2.136 -1.311 1.00 15.00 C ATOM 657 C VAL A 41 70.389 -3.327 -2.156 1.00 15.00 C ATOM 658 O VAL A 41 71.414 -3.265 -2.809 1.00 15.00 O ATOM 659 CB VAL A 41 69.095 -1.135 -2.148 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.888 -0.685 -3.382 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.787 -1.793 -2.600 1.00 15.00 C ATOM 0 H VAL A 41 71.690 -0.970 -1.540 1.00 15.00 H new ATOM 0 HA VAL A 41 69.316 -2.558 -0.503 1.00 15.00 H new ATOM 0 HB VAL A 41 68.879 -0.263 -1.531 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.292 0.022 -3.960 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.813 -0.205 -3.064 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.123 -1.552 -4.000 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.209 -1.084 -3.192 1.00 15.00 H new ATOM 0 HG22 VAL A 41 68.012 -2.672 -3.204 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.209 -2.092 -1.726 1.00 15.00 H new ATOM 671 N ARG A 42 69.647 -4.405 -2.140 1.00 15.00 N ATOM 672 CA ARG A 42 70.021 -5.597 -2.963 1.00 15.00 C ATOM 673 C ARG A 42 68.770 -6.219 -3.598 1.00 15.00 C ATOM 674 O ARG A 42 67.685 -6.136 -3.055 1.00 15.00 O ATOM 675 CB ARG A 42 70.689 -6.577 -1.984 1.00 15.00 C ATOM 676 CG ARG A 42 69.723 -6.955 -0.853 1.00 15.00 C ATOM 677 CD ARG A 42 70.474 -7.754 0.216 1.00 15.00 C ATOM 678 NE ARG A 42 69.423 -8.188 1.188 1.00 15.00 N ATOM 679 CZ ARG A 42 68.909 -7.352 2.071 1.00 15.00 C ATOM 680 NH1 ARG A 42 69.282 -6.094 2.130 1.00 15.00 N ATOM 681 NH2 ARG A 42 68.002 -7.786 2.903 1.00 15.00 N ATOM 0 H ARG A 42 68.795 -4.512 -1.590 1.00 15.00 H new ATOM 0 HA ARG A 42 70.690 -5.336 -3.783 1.00 15.00 H new ATOM 0 HB2 ARG A 42 71.002 -7.475 -2.517 1.00 15.00 H new ATOM 0 HB3 ARG A 42 71.588 -6.125 -1.565 1.00 15.00 H new ATOM 0 HG2 ARG A 42 69.291 -6.056 -0.414 1.00 15.00 H new ATOM 0 HG3 ARG A 42 68.896 -7.545 -1.249 1.00 15.00 H new ATOM 0 HD2 ARG A 42 70.986 -8.612 -0.220 1.00 15.00 H new ATOM 0 HD3 ARG A 42 71.234 -7.143 0.704 1.00 15.00 H new ATOM 0 HE ARG A 42 69.095 -9.154 1.168 1.00 15.00 H new ATOM 0 HH11 ARG A 42 69.986 -5.740 1.483 1.00 15.00 H new ATOM 0 HH12 ARG A 42 68.867 -5.471 2.823 1.00 15.00 H new ATOM 0 HH21 ARG A 42 67.699 -8.759 2.865 1.00 15.00 H new ATOM 0 HH22 ARG A 42 67.596 -7.152 3.591 1.00 15.00 H new ATOM 695 N SER A 43 68.924 -6.837 -4.744 1.00 15.00 N ATOM 696 CA SER A 43 67.764 -7.502 -5.410 1.00 15.00 C ATOM 697 C SER A 43 67.784 -9.005 -5.109 1.00 15.00 C ATOM 698 O SER A 43 68.802 -9.658 -5.250 1.00 15.00 O ATOM 699 CB SER A 43 67.964 -7.237 -6.905 1.00 15.00 C ATOM 700 OG SER A 43 69.023 -8.051 -7.396 1.00 15.00 O ATOM 0 H SER A 43 69.808 -6.909 -5.248 1.00 15.00 H new ATOM 0 HA SER A 43 66.803 -7.124 -5.061 1.00 15.00 H new ATOM 0 HB2 SER A 43 67.044 -7.452 -7.449 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.194 -6.184 -7.071 1.00 15.00 H new ATOM 0 HG SER A 43 69.306 -8.676 -6.697 1.00 15.00 H new ATOM 706 N PHE A 44 66.668 -9.555 -4.694 1.00 15.00 N ATOM 707 CA PHE A 44 66.656 -10.983 -4.239 1.00 15.00 C ATOM 708 C PHE A 44 66.819 -11.933 -5.428 1.00 15.00 C ATOM 709 O PHE A 44 67.518 -12.927 -5.341 1.00 15.00 O ATOM 710 CB PHE A 44 65.290 -11.188 -3.579 1.00 15.00 C ATOM 711 CG PHE A 44 65.177 -10.546 -2.217 1.00 15.00 C ATOM 712 CD1 PHE A 44 65.912 -11.068 -1.124 1.00 15.00 C ATOM 713 CD2 PHE A 44 64.334 -9.423 -2.031 1.00 15.00 C ATOM 714 CE1 PHE A 44 65.805 -10.467 0.153 1.00 15.00 C ATOM 715 CE2 PHE A 44 64.226 -8.822 -0.753 1.00 15.00 C ATOM 716 CZ PHE A 44 64.962 -9.344 0.339 1.00 15.00 C ATOM 0 H PHE A 44 65.767 -9.079 -4.650 1.00 15.00 H new ATOM 0 HA PHE A 44 67.477 -11.192 -3.553 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.516 -10.780 -4.229 1.00 15.00 H new ATOM 0 HB3 PHE A 44 65.097 -12.257 -3.485 1.00 15.00 H new ATOM 0 HD1 PHE A 44 66.554 -11.925 -1.265 1.00 15.00 H new ATOM 0 HD2 PHE A 44 63.773 -9.025 -2.864 1.00 15.00 H new ATOM 0 HE1 PHE A 44 66.366 -10.865 0.986 1.00 15.00 H new ATOM 0 HE2 PHE A 44 63.583 -7.966 -0.611 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.880 -8.886 1.314 1.00 15.00 H new ATOM 984 N PHE A 62 74.304 -2.782 -3.929 1.00 15.00 N ATOM 985 CA PHE A 62 74.375 -1.457 -4.615 1.00 15.00 C ATOM 986 C PHE A 62 74.359 -0.330 -3.579 1.00 15.00 C ATOM 987 O PHE A 62 73.496 -0.281 -2.721 1.00 15.00 O ATOM 988 CB PHE A 62 73.124 -1.400 -5.490 1.00 15.00 C ATOM 989 CG PHE A 62 73.156 -2.366 -6.652 1.00 15.00 C ATOM 990 CD1 PHE A 62 72.664 -3.684 -6.489 1.00 15.00 C ATOM 991 CD2 PHE A 62 73.679 -1.954 -7.902 1.00 15.00 C ATOM 992 CE1 PHE A 62 72.693 -4.590 -7.578 1.00 15.00 C ATOM 993 CE2 PHE A 62 73.708 -2.860 -8.990 1.00 15.00 C ATOM 994 CZ PHE A 62 73.215 -4.177 -8.828 1.00 15.00 C ATOM 0 HA PHE A 62 75.287 -1.339 -5.201 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.250 -1.613 -4.875 1.00 15.00 H new ATOM 0 HB3 PHE A 62 73.004 -0.387 -5.873 1.00 15.00 H new ATOM 0 HD1 PHE A 62 72.267 -3.998 -5.535 1.00 15.00 H new ATOM 0 HD2 PHE A 62 74.056 -0.949 -8.025 1.00 15.00 H new ATOM 0 HE1 PHE A 62 72.317 -5.595 -7.455 1.00 15.00 H new ATOM 0 HE2 PHE A 62 74.106 -2.546 -9.944 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.237 -4.867 -9.658 1.00 15.00 H new ATOM 1004 N GLU A 63 75.307 0.571 -3.659 1.00 15.00 N ATOM 1005 CA GLU A 63 75.398 1.670 -2.645 1.00 15.00 C ATOM 1006 C GLU A 63 74.217 2.635 -2.786 1.00 15.00 C ATOM 1007 O GLU A 63 73.644 3.067 -1.801 1.00 15.00 O ATOM 1008 CB GLU A 63 76.716 2.393 -2.941 1.00 15.00 C ATOM 1009 CG GLU A 63 77.885 1.586 -2.368 1.00 15.00 C ATOM 1010 CD GLU A 63 78.294 0.495 -3.360 1.00 15.00 C ATOM 1011 OE1 GLU A 63 78.541 -0.615 -2.919 1.00 15.00 O ATOM 1012 OE2 GLU A 63 78.357 0.788 -4.543 1.00 15.00 O ATOM 0 H GLU A 63 76.024 0.594 -4.384 1.00 15.00 H new ATOM 0 HA GLU A 63 75.368 1.280 -1.627 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.840 2.518 -4.017 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.701 3.391 -2.504 1.00 15.00 H new ATOM 0 HG2 GLU A 63 78.730 2.244 -2.168 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.598 1.137 -1.417 1.00 15.00 H new ATOM 1019 N TYR A 64 73.849 2.977 -3.998 1.00 15.00 N ATOM 1020 CA TYR A 64 72.744 3.964 -4.201 1.00 15.00 C ATOM 1021 C TYR A 64 72.010 3.686 -5.517 1.00 15.00 C ATOM 1022 O TYR A 64 72.603 3.685 -6.579 1.00 15.00 O ATOM 1023 CB TYR A 64 73.443 5.322 -4.256 1.00 15.00 C ATOM 1024 CG TYR A 64 72.508 6.498 -4.076 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.509 6.767 -5.044 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.636 7.334 -2.940 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.640 7.872 -4.875 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.765 8.439 -2.772 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.768 8.707 -3.740 1.00 15.00 C ATOM 1030 OH TYR A 64 69.920 9.784 -3.577 1.00 15.00 O ATOM 0 H TYR A 64 74.267 2.614 -4.855 1.00 15.00 H new ATOM 0 HA TYR A 64 71.996 3.915 -3.410 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.209 5.357 -3.482 1.00 15.00 H new ATOM 0 HB3 TYR A 64 73.953 5.419 -5.214 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.410 6.130 -5.910 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.397 7.129 -2.202 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.879 8.078 -5.613 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.862 9.076 -1.906 1.00 15.00 H new ATOM 0 HH TYR A 64 70.142 10.252 -2.745 1.00 15.00 H new ATOM 1040 N ILE A 65 70.720 3.453 -5.448 1.00 15.00 N ATOM 1041 CA ILE A 65 69.899 3.334 -6.697 1.00 15.00 C ATOM 1042 C ILE A 65 68.652 4.221 -6.579 1.00 15.00 C ATOM 1043 O ILE A 65 68.115 4.407 -5.502 1.00 15.00 O ATOM 1044 CB ILE A 65 69.517 1.847 -6.807 1.00 15.00 C ATOM 1045 CG1 ILE A 65 70.791 1.002 -6.965 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.613 1.628 -8.031 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.458 -0.487 -6.814 1.00 15.00 C ATOM 0 H ILE A 65 70.199 3.340 -4.579 1.00 15.00 H new ATOM 0 HA ILE A 65 70.442 3.661 -7.584 1.00 15.00 H new ATOM 0 HB ILE A 65 68.984 1.548 -5.905 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.239 1.185 -7.942 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.527 1.296 -6.216 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.347 0.573 -8.103 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.707 2.225 -7.926 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.144 1.930 -8.934 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.368 -1.077 -6.928 1.00 15.00 H new ATOM 0 HD12 ILE A 65 70.030 -0.666 -5.827 1.00 15.00 H new ATOM 0 HD13 ILE A 65 69.739 -0.778 -7.579 1.00 15.00 H new ATOM 1059 N ILE A 66 68.194 4.764 -7.682 1.00 15.00 N ATOM 1060 CA ILE A 66 67.012 5.683 -7.644 1.00 15.00 C ATOM 1061 C ILE A 66 65.800 5.003 -8.293 1.00 15.00 C ATOM 1062 O ILE A 66 65.913 4.376 -9.330 1.00 15.00 O ATOM 1063 CB ILE A 66 67.436 6.924 -8.451 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.656 7.583 -7.794 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.288 7.941 -8.488 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.343 8.506 -8.802 1.00 15.00 C ATOM 0 H ILE A 66 68.589 4.610 -8.610 1.00 15.00 H new ATOM 0 HA ILE A 66 66.725 5.946 -6.626 1.00 15.00 H new ATOM 0 HB ILE A 66 67.686 6.611 -9.465 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.347 8.151 -6.917 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.354 6.819 -7.450 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.595 8.816 -9.061 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.415 7.488 -8.958 1.00 15.00 H new ATOM 0 HG23 ILE A 66 66.036 8.243 -7.471 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.210 8.974 -8.335 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.666 7.925 -9.666 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.644 9.278 -9.124 1.00 15.00 H new ATOM 1078 N PHE A 67 64.645 5.125 -7.683 1.00 15.00 N ATOM 1079 CA PHE A 67 63.400 4.568 -8.291 1.00 15.00 C ATOM 1080 C PHE A 67 62.319 5.650 -8.353 1.00 15.00 C ATOM 1081 O PHE A 67 62.173 6.440 -7.439 1.00 15.00 O ATOM 1082 CB PHE A 67 62.974 3.434 -7.358 1.00 15.00 C ATOM 1083 CG PHE A 67 63.860 2.214 -7.447 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.820 1.392 -8.600 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.732 1.892 -6.378 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.652 0.249 -8.683 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.563 0.749 -6.461 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.523 -0.073 -7.614 1.00 15.00 C ATOM 0 H PHE A 67 64.513 5.590 -6.785 1.00 15.00 H new ATOM 0 HA PHE A 67 63.558 4.215 -9.310 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.975 3.800 -6.331 1.00 15.00 H new ATOM 0 HB3 PHE A 67 61.949 3.147 -7.593 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.155 1.637 -9.415 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.763 2.519 -5.499 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.622 -0.377 -9.562 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.227 0.504 -5.646 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.157 -0.945 -7.678 1.00 15.00 H new ATOM 1098 N ARG A 68 61.564 5.688 -9.422 1.00 15.00 N ATOM 1099 CA ARG A 68 60.492 6.720 -9.559 1.00 15.00 C ATOM 1100 C ARG A 68 59.114 6.072 -9.408 1.00 15.00 C ATOM 1101 O ARG A 68 58.936 4.902 -9.693 1.00 15.00 O ATOM 1102 CB ARG A 68 60.663 7.294 -10.967 1.00 15.00 C ATOM 1103 CG ARG A 68 61.995 8.043 -11.059 1.00 15.00 C ATOM 1104 CD ARG A 68 62.088 8.757 -12.411 1.00 15.00 C ATOM 1105 NE ARG A 68 63.485 9.292 -12.474 1.00 15.00 N ATOM 1106 CZ ARG A 68 64.515 8.506 -12.731 1.00 15.00 C ATOM 1107 NH1 ARG A 68 64.367 7.216 -12.927 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.712 9.024 -12.785 1.00 15.00 N ATOM 0 H ARG A 68 61.645 5.045 -10.210 1.00 15.00 H new ATOM 0 HA ARG A 68 60.567 7.494 -8.795 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.634 6.491 -11.704 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.838 7.968 -11.198 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.074 8.766 -10.248 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.825 7.346 -10.946 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.891 8.070 -13.234 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.355 9.560 -12.484 1.00 15.00 H new ATOM 0 HE ARG A 68 63.645 10.287 -12.315 1.00 15.00 H new ATOM 0 HH11 ARG A 68 63.438 6.797 -12.883 1.00 15.00 H new ATOM 0 HH12 ARG A 68 65.181 6.633 -13.124 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.843 10.024 -12.630 1.00 15.00 H new ATOM 0 HH22 ARG A 68 66.517 8.429 -12.982 1.00 15.00 H new ATOM 1122 N GLY A 69 58.135 6.825 -8.962 1.00 15.00 N ATOM 1123 CA GLY A 69 56.759 6.260 -8.764 1.00 15.00 C ATOM 1124 C GLY A 69 56.233 5.637 -10.069 1.00 15.00 C ATOM 1125 O GLY A 69 55.402 4.747 -10.043 1.00 15.00 O ATOM 0 H GLY A 69 58.230 7.813 -8.725 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.780 5.505 -7.978 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.082 7.047 -8.432 1.00 15.00 H new ATOM 1129 N SER A 70 56.710 6.098 -11.202 1.00 15.00 N ATOM 1130 CA SER A 70 56.205 5.562 -12.510 1.00 15.00 C ATOM 1131 C SER A 70 56.606 4.092 -12.686 1.00 15.00 C ATOM 1132 O SER A 70 55.796 3.266 -13.068 1.00 15.00 O ATOM 1133 CB SER A 70 56.868 6.425 -13.586 1.00 15.00 C ATOM 1134 OG SER A 70 56.590 7.795 -13.326 1.00 15.00 O ATOM 0 H SER A 70 57.426 6.821 -11.279 1.00 15.00 H new ATOM 0 HA SER A 70 55.117 5.601 -12.567 1.00 15.00 H new ATOM 0 HB2 SER A 70 57.945 6.255 -13.592 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.496 6.147 -14.572 1.00 15.00 H new ATOM 0 HG SER A 70 57.015 8.351 -14.012 1.00 15.00 H new ATOM 1140 N ASP A 71 57.845 3.763 -12.410 1.00 15.00 N ATOM 1141 CA ASP A 71 58.320 2.355 -12.622 1.00 15.00 C ATOM 1142 C ASP A 71 57.926 1.464 -11.435 1.00 15.00 C ATOM 1143 O ASP A 71 57.706 0.278 -11.591 1.00 15.00 O ATOM 1144 CB ASP A 71 59.850 2.446 -12.762 1.00 15.00 C ATOM 1145 CG ASP A 71 60.477 3.019 -11.484 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.703 2.251 -10.565 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.718 4.213 -11.452 1.00 15.00 O ATOM 0 H ASP A 71 58.549 4.406 -12.047 1.00 15.00 H new ATOM 0 HA ASP A 71 57.868 1.907 -13.507 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.261 1.457 -12.963 1.00 15.00 H new ATOM 0 HB3 ASP A 71 60.106 3.077 -13.613 1.00 15.00 H new ATOM 1152 N ILE A 72 57.840 2.029 -10.255 1.00 15.00 N ATOM 1153 CA ILE A 72 57.441 1.219 -9.055 1.00 15.00 C ATOM 1154 C ILE A 72 55.969 0.804 -9.177 1.00 15.00 C ATOM 1155 O ILE A 72 55.133 1.579 -9.605 1.00 15.00 O ATOM 1156 CB ILE A 72 57.648 2.140 -7.838 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.117 2.569 -7.751 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.272 1.393 -6.553 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.246 3.751 -6.789 1.00 15.00 C ATOM 0 H ILE A 72 58.028 3.014 -10.068 1.00 15.00 H new ATOM 0 HA ILE A 72 58.030 0.306 -8.962 1.00 15.00 H new ATOM 0 HB ILE A 72 57.015 3.020 -7.952 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.730 1.737 -7.406 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.485 2.848 -8.738 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.420 2.048 -5.695 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.226 1.089 -6.602 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.902 0.510 -6.448 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.290 4.057 -6.726 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.645 4.584 -7.154 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.895 3.456 -5.800 1.00 15.00 H new ATOM 1171 N LYS A 73 55.655 -0.412 -8.804 1.00 15.00 N ATOM 1172 CA LYS A 73 54.241 -0.885 -8.879 1.00 15.00 C ATOM 1173 C LYS A 73 53.636 -0.974 -7.474 1.00 15.00 C ATOM 1174 O LYS A 73 52.511 -0.568 -7.250 1.00 15.00 O ATOM 1175 CB LYS A 73 54.320 -2.272 -9.519 1.00 15.00 C ATOM 1176 CG LYS A 73 52.910 -2.755 -9.868 1.00 15.00 C ATOM 1177 CD LYS A 73 52.998 -4.047 -10.682 1.00 15.00 C ATOM 1178 CE LYS A 73 53.425 -5.199 -9.770 1.00 15.00 C ATOM 1179 NZ LYS A 73 53.748 -6.321 -10.695 1.00 15.00 N ATOM 0 H LYS A 73 56.321 -1.099 -8.450 1.00 15.00 H new ATOM 0 HA LYS A 73 53.609 -0.207 -9.453 1.00 15.00 H new ATOM 0 HB2 LYS A 73 54.936 -2.235 -10.418 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.797 -2.973 -8.834 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.337 -2.926 -8.957 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.383 -1.990 -10.437 1.00 15.00 H new ATOM 0 HD2 LYS A 73 52.033 -4.269 -11.137 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.714 -3.929 -11.495 1.00 15.00 H new ATOM 0 HE2 LYS A 73 54.289 -4.924 -9.165 1.00 15.00 H new ATOM 0 HE3 LYS A 73 52.627 -5.473 -9.080 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 54.017 -7.160 -10.142 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.915 -6.542 -11.277 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 54.538 -6.045 -11.313 1.00 15.00 H new ATOM 1193 N ASP A 74 54.379 -1.502 -6.531 1.00 15.00 N ATOM 1194 CA ASP A 74 53.849 -1.636 -5.137 1.00 15.00 C ATOM 1195 C ASP A 74 54.919 -1.236 -4.115 1.00 15.00 C ATOM 1196 O ASP A 74 56.087 -1.525 -4.288 1.00 15.00 O ATOM 1197 CB ASP A 74 53.496 -3.117 -4.990 1.00 15.00 C ATOM 1198 CG ASP A 74 52.666 -3.323 -3.721 1.00 15.00 C ATOM 1199 OD1 ASP A 74 53.038 -2.772 -2.698 1.00 15.00 O ATOM 1200 OD2 ASP A 74 51.672 -4.026 -3.796 1.00 15.00 O ATOM 0 H ASP A 74 55.330 -1.846 -6.666 1.00 15.00 H new ATOM 0 HA ASP A 74 52.989 -0.989 -4.961 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.936 -3.456 -5.862 1.00 15.00 H new ATOM 0 HB3 ASP A 74 54.406 -3.715 -4.943 1.00 15.00 H new ATOM 1205 N LEU A 75 54.522 -0.575 -3.055 1.00 15.00 N ATOM 1206 CA LEU A 75 55.504 -0.153 -2.007 1.00 15.00 C ATOM 1207 C LEU A 75 55.002 -0.566 -0.618 1.00 15.00 C ATOM 1208 O LEU A 75 53.884 -0.264 -0.241 1.00 15.00 O ATOM 1209 CB LEU A 75 55.570 1.371 -2.121 1.00 15.00 C ATOM 1210 CG LEU A 75 56.784 1.895 -1.351 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.187 3.264 -1.905 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.429 2.036 0.132 1.00 15.00 C ATOM 0 H LEU A 75 53.555 -0.308 -2.870 1.00 15.00 H new ATOM 0 HA LEU A 75 56.481 -0.616 -2.143 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.638 1.664 -3.169 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.657 1.815 -1.724 1.00 15.00 H new ATOM 0 HG LEU A 75 57.612 1.195 -1.463 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.052 3.638 -1.357 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.440 3.169 -2.961 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.357 3.961 -1.792 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.295 2.409 0.679 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.600 2.735 0.243 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.139 1.064 0.531 1.00 15.00 H new ATOM 1224 N THR A 76 55.821 -1.254 0.141 1.00 15.00 N ATOM 1225 CA THR A 76 55.419 -1.658 1.525 1.00 15.00 C ATOM 1226 C THR A 76 56.507 -1.259 2.528 1.00 15.00 C ATOM 1227 O THR A 76 57.683 -1.449 2.282 1.00 15.00 O ATOM 1228 CB THR A 76 55.273 -3.180 1.467 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.445 -3.531 0.367 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.641 -3.685 2.764 1.00 15.00 C ATOM 0 H THR A 76 56.754 -1.554 -0.140 1.00 15.00 H new ATOM 0 HA THR A 76 54.497 -1.173 1.847 1.00 15.00 H new ATOM 0 HB THR A 76 56.256 -3.635 1.345 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.351 -4.506 0.326 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.538 -4.769 2.720 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.276 -3.414 3.608 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.658 -3.232 2.890 1.00 15.00 H new