USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=14 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 120:sc= -1.74! USER MOD Set 1.2: A 64 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 10 SER OG : rot 45:sc= 0.182 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 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00428) 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 -58:sc= 0.516 USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.56 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 20:sc= 0.298! 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 Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 161 N SER A 10 64.247 4.060 7.863 1.00 15.00 N ATOM 162 CA SER A 10 63.417 2.834 8.080 1.00 15.00 C ATOM 163 C SER A 10 63.649 1.819 6.954 1.00 15.00 C ATOM 164 O SER A 10 64.014 2.178 5.850 1.00 15.00 O ATOM 165 CB SER A 10 61.970 3.326 8.066 1.00 15.00 C ATOM 166 OG SER A 10 61.787 4.276 9.106 1.00 15.00 O ATOM 0 HA SER A 10 63.670 2.331 9.013 1.00 15.00 H new ATOM 0 HB2 SER A 10 61.736 3.776 7.101 1.00 15.00 H new ATOM 0 HB3 SER A 10 61.287 2.487 8.200 1.00 15.00 H new ATOM 0 HG SER A 10 62.536 4.908 9.107 1.00 15.00 H new ATOM 172 N LYS A 11 63.439 0.555 7.237 1.00 15.00 N ATOM 173 CA LYS A 11 63.609 -0.504 6.188 1.00 15.00 C ATOM 174 C LYS A 11 62.358 -0.579 5.307 1.00 15.00 C ATOM 175 O LYS A 11 61.249 -0.690 5.801 1.00 15.00 O ATOM 176 CB LYS A 11 63.789 -1.817 6.959 1.00 15.00 C ATOM 177 CG LYS A 11 65.055 -1.752 7.817 1.00 15.00 C ATOM 178 CD LYS A 11 65.251 -3.085 8.543 1.00 15.00 C ATOM 179 CE LYS A 11 66.446 -2.980 9.492 1.00 15.00 C ATOM 180 NZ LYS A 11 66.205 -4.021 10.530 1.00 15.00 N ATOM 0 H LYS A 11 63.156 0.209 8.154 1.00 15.00 H new ATOM 0 HA LYS A 11 64.456 -0.296 5.534 1.00 15.00 H new ATOM 0 HB2 LYS A 11 62.920 -1.999 7.592 1.00 15.00 H new ATOM 0 HB3 LYS A 11 63.855 -2.652 6.261 1.00 15.00 H new ATOM 0 HG2 LYS A 11 65.921 -1.537 7.191 1.00 15.00 H new ATOM 0 HG3 LYS A 11 64.975 -0.940 8.540 1.00 15.00 H new ATOM 0 HD2 LYS A 11 64.351 -3.342 9.102 1.00 15.00 H new ATOM 0 HD3 LYS A 11 65.417 -3.884 7.820 1.00 15.00 H new ATOM 0 HE2 LYS A 11 67.384 -3.156 8.966 1.00 15.00 H new ATOM 0 HE3 LYS A 11 66.511 -1.987 9.936 1.00 15.00 H new ATOM 0 HZ1 LYS A 11 66.984 -4.011 11.219 1.00 15.00 H new ATOM 0 HZ2 LYS A 11 65.308 -3.823 11.018 1.00 15.00 H new ATOM 0 HZ3 LYS A 11 66.154 -4.956 10.078 1.00 15.00 H new ATOM 194 N ILE A 12 62.527 -0.525 4.007 1.00 15.00 N ATOM 195 CA ILE A 12 61.345 -0.563 3.089 1.00 15.00 C ATOM 196 C ILE A 12 61.579 -1.591 1.975 1.00 15.00 C ATOM 197 O ILE A 12 62.693 -1.797 1.528 1.00 15.00 O ATOM 198 CB ILE A 12 61.223 0.859 2.512 1.00 15.00 C ATOM 199 CG1 ILE A 12 60.969 1.854 3.654 1.00 15.00 C ATOM 200 CG2 ILE A 12 60.052 0.919 1.521 1.00 15.00 C ATOM 201 CD1 ILE A 12 61.037 3.287 3.119 1.00 15.00 C ATOM 0 H ILE A 12 63.432 -0.456 3.542 1.00 15.00 H new ATOM 0 HA ILE A 12 60.432 -0.858 3.605 1.00 15.00 H new ATOM 0 HB ILE A 12 62.148 1.117 1.997 1.00 15.00 H new ATOM 0 HG12 ILE A 12 59.992 1.668 4.099 1.00 15.00 H new ATOM 0 HG13 ILE A 12 61.710 1.715 4.441 1.00 15.00 H new ATOM 0 HG21 ILE A 12 59.970 1.927 1.115 1.00 15.00 H new ATOM 0 HG22 ILE A 12 60.227 0.214 0.708 1.00 15.00 H new ATOM 0 HG23 ILE A 12 59.127 0.658 2.035 1.00 15.00 H new ATOM 0 HD11 ILE A 12 60.856 3.988 3.933 1.00 15.00 H new ATOM 0 HD12 ILE A 12 62.024 3.470 2.695 1.00 15.00 H new ATOM 0 HD13 ILE A 12 60.279 3.424 2.347 1.00 15.00 H new ATOM 213 N SER A 13 60.524 -2.233 1.534 1.00 15.00 N ATOM 214 CA SER A 13 60.629 -3.178 0.384 1.00 15.00 C ATOM 215 C SER A 13 59.819 -2.637 -0.797 1.00 15.00 C ATOM 216 O SER A 13 58.673 -2.258 -0.649 1.00 15.00 O ATOM 217 CB SER A 13 60.031 -4.489 0.891 1.00 15.00 C ATOM 218 OG SER A 13 60.187 -5.492 -0.105 1.00 15.00 O ATOM 0 H SER A 13 59.587 -2.140 1.927 1.00 15.00 H new ATOM 0 HA SER A 13 61.655 -3.311 0.041 1.00 15.00 H new ATOM 0 HB2 SER A 13 60.526 -4.795 1.813 1.00 15.00 H new ATOM 0 HB3 SER A 13 58.975 -4.354 1.125 1.00 15.00 H new ATOM 0 HG SER A 13 59.806 -6.335 0.217 1.00 15.00 H new ATOM 224 N LEU A 14 60.412 -2.602 -1.964 1.00 15.00 N ATOM 225 CA LEU A 14 59.729 -1.998 -3.147 1.00 15.00 C ATOM 226 C LEU A 14 59.556 -3.044 -4.250 1.00 15.00 C ATOM 227 O LEU A 14 60.468 -3.788 -4.556 1.00 15.00 O ATOM 228 CB LEU A 14 60.671 -0.885 -3.606 1.00 15.00 C ATOM 229 CG LEU A 14 59.892 0.140 -4.431 1.00 15.00 C ATOM 230 CD1 LEU A 14 59.084 1.039 -3.493 1.00 15.00 C ATOM 231 CD2 LEU A 14 60.873 0.994 -5.238 1.00 15.00 C ATOM 0 H LEU A 14 61.346 -2.968 -2.148 1.00 15.00 H new ATOM 0 HA LEU A 14 58.733 -1.625 -2.909 1.00 15.00 H new ATOM 0 HB2 LEU A 14 61.126 -0.401 -2.742 1.00 15.00 H new ATOM 0 HB3 LEU A 14 61.483 -1.304 -4.201 1.00 15.00 H new ATOM 0 HG LEU A 14 59.215 -0.377 -5.111 1.00 15.00 H new ATOM 0 HD11 LEU A 14 58.528 1.770 -4.079 1.00 15.00 H new ATOM 0 HD12 LEU A 14 58.387 0.431 -2.917 1.00 15.00 H new ATOM 0 HD13 LEU A 14 59.761 1.557 -2.814 1.00 15.00 H new ATOM 0 HD21 LEU A 14 60.320 1.725 -5.827 1.00 15.00 H new ATOM 0 HD22 LEU A 14 61.549 1.512 -4.558 1.00 15.00 H new ATOM 0 HD23 LEU A 14 61.450 0.353 -5.905 1.00 15.00 H new ATOM 243 N ILE A 15 58.390 -3.103 -4.845 1.00 15.00 N ATOM 244 CA ILE A 15 58.155 -4.067 -5.965 1.00 15.00 C ATOM 245 C ILE A 15 58.055 -3.290 -7.282 1.00 15.00 C ATOM 246 O ILE A 15 57.200 -2.436 -7.437 1.00 15.00 O ATOM 247 CB ILE A 15 56.825 -4.765 -5.633 1.00 15.00 C ATOM 248 CG1 ILE A 15 56.942 -5.498 -4.291 1.00 15.00 C ATOM 249 CG2 ILE A 15 56.485 -5.784 -6.728 1.00 15.00 C ATOM 250 CD1 ILE A 15 55.551 -5.921 -3.815 1.00 15.00 C ATOM 0 H ILE A 15 57.587 -2.522 -4.602 1.00 15.00 H new ATOM 0 HA ILE A 15 58.960 -4.794 -6.074 1.00 15.00 H new ATOM 0 HB ILE A 15 56.039 -4.012 -5.573 1.00 15.00 H new ATOM 0 HG12 ILE A 15 57.583 -6.373 -4.398 1.00 15.00 H new ATOM 0 HG13 ILE A 15 57.409 -4.849 -3.550 1.00 15.00 H new ATOM 0 HG21 ILE A 15 55.542 -6.275 -6.488 1.00 15.00 H new ATOM 0 HG22 ILE A 15 56.394 -5.272 -7.686 1.00 15.00 H new ATOM 0 HG23 ILE A 15 57.277 -6.530 -6.790 1.00 15.00 H new ATOM 0 HD11 ILE A 15 55.636 -6.442 -2.861 1.00 15.00 H new ATOM 0 HD12 ILE A 15 54.924 -5.038 -3.692 1.00 15.00 H new ATOM 0 HD13 ILE A 15 55.101 -6.585 -4.552 1.00 15.00 H new ATOM 262 N SER A 16 58.920 -3.586 -8.221 1.00 15.00 N ATOM 263 CA SER A 16 58.995 -2.764 -9.470 1.00 15.00 C ATOM 264 C SER A 16 58.121 -3.368 -10.574 1.00 15.00 C ATOM 265 O SER A 16 57.618 -4.470 -10.452 1.00 15.00 O ATOM 266 CB SER A 16 60.469 -2.795 -9.878 1.00 15.00 C ATOM 267 OG SER A 16 61.186 -1.834 -9.114 1.00 15.00 O ATOM 0 H SER A 16 59.579 -4.363 -8.177 1.00 15.00 H new ATOM 0 HA SER A 16 58.633 -1.748 -9.309 1.00 15.00 H new ATOM 0 HB2 SER A 16 60.883 -3.790 -9.714 1.00 15.00 H new ATOM 0 HB3 SER A 16 60.569 -2.579 -10.942 1.00 15.00 H new ATOM 0 HG SER A 16 62.132 -1.851 -9.371 1.00 15.00 H new ATOM 273 N LYS A 17 57.944 -2.649 -11.658 1.00 15.00 N ATOM 274 CA LYS A 17 57.066 -3.142 -12.775 1.00 15.00 C ATOM 275 C LYS A 17 57.587 -4.468 -13.358 1.00 15.00 C ATOM 276 O LYS A 17 56.858 -5.178 -14.026 1.00 15.00 O ATOM 277 CB LYS A 17 57.111 -2.042 -13.840 1.00 15.00 C ATOM 278 CG LYS A 17 56.044 -2.313 -14.903 1.00 15.00 C ATOM 279 CD LYS A 17 56.131 -1.247 -15.998 1.00 15.00 C ATOM 280 CE LYS A 17 54.966 -1.424 -16.974 1.00 15.00 C ATOM 281 NZ LYS A 17 55.420 -2.473 -17.929 1.00 15.00 N ATOM 0 H LYS A 17 58.371 -1.737 -11.820 1.00 15.00 H new ATOM 0 HA LYS A 17 56.053 -3.338 -12.423 1.00 15.00 H new ATOM 0 HB2 LYS A 17 56.941 -1.069 -13.380 1.00 15.00 H new ATOM 0 HB3 LYS A 17 58.098 -2.008 -14.301 1.00 15.00 H new ATOM 0 HG2 LYS A 17 56.188 -3.304 -15.333 1.00 15.00 H new ATOM 0 HG3 LYS A 17 55.053 -2.303 -14.449 1.00 15.00 H new ATOM 0 HD2 LYS A 17 56.100 -0.252 -15.555 1.00 15.00 H new ATOM 0 HD3 LYS A 17 57.080 -1.331 -16.528 1.00 15.00 H new ATOM 0 HE2 LYS A 17 54.058 -1.730 -16.454 1.00 15.00 H new ATOM 0 HE3 LYS A 17 54.739 -0.492 -17.491 1.00 15.00 H new ATOM 0 HZ1 LYS A 17 54.687 -2.626 -18.651 1.00 15.00 H new ATOM 0 HZ2 LYS A 17 56.300 -2.166 -18.389 1.00 15.00 H new ATOM 0 HZ3 LYS A 17 55.590 -3.361 -17.415 1.00 15.00 H new ATOM 295 N ALA A 18 58.834 -4.805 -13.114 1.00 15.00 N ATOM 296 CA ALA A 18 59.398 -6.074 -13.676 1.00 15.00 C ATOM 297 C ALA A 18 59.192 -7.253 -12.711 1.00 15.00 C ATOM 298 O ALA A 18 59.835 -8.277 -12.839 1.00 15.00 O ATOM 299 CB ALA A 18 60.892 -5.795 -13.860 1.00 15.00 C ATOM 0 H ALA A 18 59.483 -4.256 -12.551 1.00 15.00 H new ATOM 0 HA ALA A 18 58.906 -6.351 -14.608 1.00 15.00 H new ATOM 0 HB1 ALA A 18 61.380 -6.680 -14.270 1.00 15.00 H new ATOM 0 HB2 ALA A 18 61.024 -4.958 -14.545 1.00 15.00 H new ATOM 0 HB3 ALA A 18 61.338 -5.549 -12.896 1.00 15.00 H new ATOM 305 N GLU A 19 58.303 -7.119 -11.743 1.00 15.00 N ATOM 306 CA GLU A 19 58.007 -8.244 -10.788 1.00 15.00 C ATOM 307 C GLU A 19 59.284 -8.701 -10.071 1.00 15.00 C ATOM 308 O GLU A 19 59.407 -9.846 -9.676 1.00 15.00 O ATOM 309 CB GLU A 19 57.416 -9.382 -11.634 1.00 15.00 C ATOM 310 CG GLU A 19 56.076 -8.937 -12.223 1.00 15.00 C ATOM 311 CD GLU A 19 55.357 -10.141 -12.836 1.00 15.00 C ATOM 312 OE1 GLU A 19 56.013 -10.922 -13.506 1.00 15.00 O ATOM 313 OE2 GLU A 19 54.161 -10.263 -12.623 1.00 15.00 O ATOM 0 H GLU A 19 57.766 -6.268 -11.574 1.00 15.00 H new ATOM 0 HA GLU A 19 57.310 -7.929 -10.011 1.00 15.00 H new ATOM 0 HB2 GLU A 19 58.106 -9.651 -12.434 1.00 15.00 H new ATOM 0 HB3 GLU A 19 57.278 -10.272 -11.020 1.00 15.00 H new ATOM 0 HG2 GLU A 19 55.457 -8.489 -11.446 1.00 15.00 H new ATOM 0 HG3 GLU A 19 56.238 -8.172 -12.983 1.00 15.00 H new ATOM 320 N ILE A 20 60.230 -7.809 -9.905 1.00 15.00 N ATOM 321 CA ILE A 20 61.428 -8.118 -9.066 1.00 15.00 C ATOM 322 C ILE A 20 61.298 -7.383 -7.726 1.00 15.00 C ATOM 323 O ILE A 20 60.773 -6.284 -7.666 1.00 15.00 O ATOM 324 CB ILE A 20 62.637 -7.600 -9.863 1.00 15.00 C ATOM 325 CG1 ILE A 20 62.736 -8.347 -11.197 1.00 15.00 C ATOM 326 CG2 ILE A 20 63.924 -7.834 -9.065 1.00 15.00 C ATOM 327 CD1 ILE A 20 63.648 -7.571 -12.150 1.00 15.00 C ATOM 0 H ILE A 20 60.223 -6.876 -10.317 1.00 15.00 H new ATOM 0 HA ILE A 20 61.532 -9.182 -8.852 1.00 15.00 H new ATOM 0 HB ILE A 20 62.508 -6.533 -10.047 1.00 15.00 H new ATOM 0 HG12 ILE A 20 63.130 -9.350 -11.036 1.00 15.00 H new ATOM 0 HG13 ILE A 20 61.745 -8.461 -11.637 1.00 15.00 H new ATOM 0 HG21 ILE A 20 64.777 -7.465 -9.634 1.00 15.00 H new ATOM 0 HG22 ILE A 20 63.865 -7.303 -8.115 1.00 15.00 H new ATOM 0 HG23 ILE A 20 64.047 -8.901 -8.877 1.00 15.00 H new ATOM 0 HD11 ILE A 20 63.719 -8.102 -13.099 1.00 15.00 H new ATOM 0 HD12 ILE A 20 63.235 -6.577 -12.320 1.00 15.00 H new ATOM 0 HD13 ILE A 20 64.641 -7.480 -11.710 1.00 15.00 H new ATOM 339 N ARG A 21 61.772 -7.979 -6.661 1.00 15.00 N ATOM 340 CA ARG A 21 61.635 -7.344 -5.316 1.00 15.00 C ATOM 341 C ARG A 21 62.983 -6.784 -4.850 1.00 15.00 C ATOM 342 O ARG A 21 63.957 -7.505 -4.735 1.00 15.00 O ATOM 343 CB ARG A 21 61.171 -8.472 -4.392 1.00 15.00 C ATOM 344 CG ARG A 21 60.761 -7.890 -3.037 1.00 15.00 C ATOM 345 CD ARG A 21 59.776 -8.840 -2.346 1.00 15.00 C ATOM 346 NE ARG A 21 60.566 -10.074 -2.031 1.00 15.00 N ATOM 347 CZ ARG A 21 59.972 -11.214 -1.733 1.00 15.00 C ATOM 348 NH1 ARG A 21 58.663 -11.319 -1.692 1.00 15.00 N ATOM 349 NH2 ARG A 21 60.703 -12.262 -1.470 1.00 15.00 N ATOM 0 H ARG A 21 62.249 -8.880 -6.666 1.00 15.00 H new ATOM 0 HA ARG A 21 60.935 -6.509 -5.324 1.00 15.00 H new ATOM 0 HB2 ARG A 21 60.331 -9.001 -4.841 1.00 15.00 H new ATOM 0 HB3 ARG A 21 61.972 -9.200 -4.259 1.00 15.00 H new ATOM 0 HG2 ARG A 21 61.641 -7.744 -2.411 1.00 15.00 H new ATOM 0 HG3 ARG A 21 60.302 -6.911 -3.174 1.00 15.00 H new ATOM 0 HD2 ARG A 21 59.369 -8.392 -1.439 1.00 15.00 H new ATOM 0 HD3 ARG A 21 58.931 -9.070 -2.995 1.00 15.00 H new ATOM 0 HE ARG A 21 61.585 -10.032 -2.047 1.00 15.00 H new ATOM 0 HH11 ARG A 21 58.080 -10.507 -1.893 1.00 15.00 H new ATOM 0 HH12 ARG A 21 58.230 -12.213 -1.459 1.00 15.00 H new ATOM 0 HH21 ARG A 21 61.720 -12.194 -1.496 1.00 15.00 H new ATOM 0 HH22 ARG A 21 60.257 -13.150 -1.238 1.00 15.00 H new ATOM 363 N TYR A 22 63.038 -5.502 -4.583 1.00 15.00 N ATOM 364 CA TYR A 22 64.294 -4.883 -4.063 1.00 15.00 C ATOM 365 C TYR A 22 64.094 -4.451 -2.609 1.00 15.00 C ATOM 366 O TYR A 22 63.072 -3.893 -2.263 1.00 15.00 O ATOM 367 CB TYR A 22 64.528 -3.654 -4.943 1.00 15.00 C ATOM 368 CG TYR A 22 64.907 -3.978 -6.369 1.00 15.00 C ATOM 369 CD1 TYR A 22 66.270 -4.117 -6.725 1.00 15.00 C ATOM 370 CD2 TYR A 22 63.898 -4.133 -7.352 1.00 15.00 C ATOM 371 CE1 TYR A 22 66.625 -4.410 -8.065 1.00 15.00 C ATOM 372 CE2 TYR A 22 64.253 -4.426 -8.692 1.00 15.00 C ATOM 373 CZ TYR A 22 65.617 -4.565 -9.048 1.00 15.00 C ATOM 374 OH TYR A 22 65.963 -4.850 -10.353 1.00 15.00 O ATOM 0 H TYR A 22 62.260 -4.854 -4.705 1.00 15.00 H new ATOM 0 HA TYR A 22 65.136 -5.574 -4.091 1.00 15.00 H new ATOM 0 HB2 TYR A 22 63.623 -3.047 -4.948 1.00 15.00 H new ATOM 0 HB3 TYR A 22 65.316 -3.047 -4.498 1.00 15.00 H new ATOM 0 HD1 TYR A 22 67.039 -4.000 -5.976 1.00 15.00 H new ATOM 0 HD2 TYR A 22 62.858 -4.028 -7.080 1.00 15.00 H new ATOM 0 HE1 TYR A 22 67.665 -4.515 -8.337 1.00 15.00 H new ATOM 0 HE2 TYR A 22 63.484 -4.543 -9.441 1.00 15.00 H new ATOM 0 HH TYR A 22 65.152 -4.925 -10.898 1.00 15.00 H new ATOM 384 N GLU A 23 65.057 -4.702 -1.757 1.00 15.00 N ATOM 385 CA GLU A 23 64.964 -4.212 -0.347 1.00 15.00 C ATOM 386 C GLU A 23 66.139 -3.283 -0.041 1.00 15.00 C ATOM 387 O GLU A 23 67.254 -3.530 -0.460 1.00 15.00 O ATOM 388 CB GLU A 23 65.033 -5.472 0.517 1.00 15.00 C ATOM 389 CG GLU A 23 64.720 -5.113 1.972 1.00 15.00 C ATOM 390 CD GLU A 23 64.840 -6.364 2.846 1.00 15.00 C ATOM 391 OE1 GLU A 23 63.973 -6.563 3.680 1.00 15.00 O ATOM 392 OE2 GLU A 23 65.797 -7.099 2.668 1.00 15.00 O ATOM 0 H GLU A 23 65.904 -5.226 -1.977 1.00 15.00 H new ATOM 0 HA GLU A 23 64.051 -3.645 -0.162 1.00 15.00 H new ATOM 0 HB2 GLU A 23 64.322 -6.214 0.154 1.00 15.00 H new ATOM 0 HB3 GLU A 23 66.024 -5.920 0.447 1.00 15.00 H new ATOM 0 HG2 GLU A 23 65.408 -4.344 2.324 1.00 15.00 H new ATOM 0 HG3 GLU A 23 63.714 -4.700 2.047 1.00 15.00 H new ATOM 399 N GLY A 24 65.894 -2.224 0.689 1.00 15.00 N ATOM 400 CA GLY A 24 66.986 -1.261 1.022 1.00 15.00 C ATOM 401 C GLY A 24 66.513 -0.333 2.140 1.00 15.00 C ATOM 402 O GLY A 24 65.405 -0.459 2.630 1.00 15.00 O ATOM 0 H GLY A 24 64.979 -1.984 1.070 1.00 15.00 H new ATOM 0 HA2 GLY A 24 67.880 -1.800 1.335 1.00 15.00 H new ATOM 0 HA3 GLY A 24 67.256 -0.680 0.140 1.00 15.00 H new ATOM 406 N ILE A 25 67.341 0.598 2.550 1.00 15.00 N ATOM 407 CA ILE A 25 66.933 1.534 3.646 1.00 15.00 C ATOM 408 C ILE A 25 66.688 2.928 3.064 1.00 15.00 C ATOM 409 O ILE A 25 67.480 3.434 2.292 1.00 15.00 O ATOM 410 CB ILE A 25 68.105 1.573 4.647 1.00 15.00 C ATOM 411 CG1 ILE A 25 68.651 0.156 4.930 1.00 15.00 C ATOM 412 CG2 ILE A 25 67.621 2.200 5.960 1.00 15.00 C ATOM 413 CD1 ILE A 25 67.529 -0.779 5.406 1.00 15.00 C ATOM 0 H ILE A 25 68.277 0.750 2.175 1.00 15.00 H new ATOM 0 HA ILE A 25 66.015 1.206 4.133 1.00 15.00 H new ATOM 0 HB ILE A 25 68.909 2.167 4.213 1.00 15.00 H new ATOM 0 HG12 ILE A 25 69.109 -0.249 4.027 1.00 15.00 H new ATOM 0 HG13 ILE A 25 69.433 0.208 5.688 1.00 15.00 H new ATOM 0 HG21 ILE A 25 68.444 2.231 6.674 1.00 15.00 H new ATOM 0 HG22 ILE A 25 67.267 3.213 5.770 1.00 15.00 H new ATOM 0 HG23 ILE A 25 66.808 1.602 6.371 1.00 15.00 H new ATOM 0 HD11 ILE A 25 67.939 -1.770 5.599 1.00 15.00 H new ATOM 0 HD12 ILE A 25 67.090 -0.384 6.322 1.00 15.00 H new ATOM 0 HD13 ILE A 25 66.761 -0.847 4.636 1.00 15.00 H new ATOM 425 N LEU A 26 65.593 3.552 3.433 1.00 15.00 N ATOM 426 CA LEU A 26 65.234 4.882 2.835 1.00 15.00 C ATOM 427 C LEU A 26 66.312 5.921 3.151 1.00 15.00 C ATOM 428 O LEU A 26 66.515 6.281 4.295 1.00 15.00 O ATOM 429 CB LEU A 26 63.911 5.279 3.493 1.00 15.00 C ATOM 430 CG LEU A 26 63.234 6.368 2.661 1.00 15.00 C ATOM 431 CD1 LEU A 26 62.567 5.739 1.437 1.00 15.00 C ATOM 432 CD2 LEU A 26 62.175 7.072 3.512 1.00 15.00 C ATOM 0 H LEU A 26 64.931 3.198 4.123 1.00 15.00 H new ATOM 0 HA LEU A 26 65.151 4.827 1.750 1.00 15.00 H new ATOM 0 HB2 LEU A 26 63.258 4.410 3.574 1.00 15.00 H new ATOM 0 HB3 LEU A 26 64.090 5.639 4.506 1.00 15.00 H new ATOM 0 HG LEU A 26 63.981 7.091 2.334 1.00 15.00 H new ATOM 0 HD11 LEU A 26 62.085 6.517 0.845 1.00 15.00 H new ATOM 0 HD12 LEU A 26 63.320 5.236 0.830 1.00 15.00 H new ATOM 0 HD13 LEU A 26 61.820 5.015 1.762 1.00 15.00 H new ATOM 0 HD21 LEU A 26 61.691 7.849 2.921 1.00 15.00 H new ATOM 0 HD22 LEU A 26 61.429 6.347 3.838 1.00 15.00 H new ATOM 0 HD23 LEU A 26 62.649 7.522 4.384 1.00 15.00 H new ATOM 444 N TYR A 27 66.998 6.402 2.143 1.00 15.00 N ATOM 445 CA TYR A 27 68.086 7.401 2.376 1.00 15.00 C ATOM 446 C TYR A 27 67.543 8.825 2.228 1.00 15.00 C ATOM 447 O TYR A 27 67.721 9.656 3.100 1.00 15.00 O ATOM 448 CB TYR A 27 69.131 7.110 1.299 1.00 15.00 C ATOM 449 CG TYR A 27 70.388 7.936 1.447 1.00 15.00 C ATOM 450 CD1 TYR A 27 71.163 7.839 2.629 1.00 15.00 C ATOM 451 CD2 TYR A 27 70.789 8.808 0.406 1.00 15.00 C ATOM 452 CE1 TYR A 27 72.339 8.614 2.770 1.00 15.00 C ATOM 453 CE2 TYR A 27 71.967 9.583 0.547 1.00 15.00 C ATOM 454 CZ TYR A 27 72.741 9.486 1.729 1.00 15.00 C ATOM 455 OH TYR A 27 73.888 10.241 1.867 1.00 15.00 O ATOM 0 H TYR A 27 66.851 6.145 1.167 1.00 15.00 H new ATOM 0 HA TYR A 27 68.504 7.326 3.380 1.00 15.00 H new ATOM 0 HB2 TYR A 27 69.393 6.053 1.333 1.00 15.00 H new ATOM 0 HB3 TYR A 27 68.694 7.298 0.318 1.00 15.00 H new ATOM 0 HD1 TYR A 27 70.856 7.174 3.423 1.00 15.00 H new ATOM 0 HD2 TYR A 27 70.198 8.882 -0.495 1.00 15.00 H new ATOM 0 HE1 TYR A 27 72.930 8.540 3.671 1.00 15.00 H new ATOM 0 HE2 TYR A 27 72.274 10.248 -0.247 1.00 15.00 H new ATOM 0 HH TYR A 27 74.021 10.784 1.062 1.00 15.00 H new ATOM 465 N THR A 28 66.884 9.111 1.130 1.00 15.00 N ATOM 466 CA THR A 28 66.352 10.492 0.908 1.00 15.00 C ATOM 467 C THR A 28 65.035 10.443 0.128 1.00 15.00 C ATOM 468 O THR A 28 64.847 9.604 -0.733 1.00 15.00 O ATOM 469 CB THR A 28 67.429 11.216 0.095 1.00 15.00 C ATOM 470 OG1 THR A 28 67.814 10.410 -1.014 1.00 15.00 O ATOM 471 CG2 THR A 28 68.644 11.495 0.984 1.00 15.00 C ATOM 0 H THR A 28 66.692 8.448 0.379 1.00 15.00 H new ATOM 0 HA THR A 28 66.142 11.001 1.849 1.00 15.00 H new ATOM 0 HB THR A 28 67.031 12.162 -0.272 1.00 15.00 H new ATOM 0 HG1 THR A 28 67.633 10.893 -1.848 1.00 15.00 H new ATOM 0 HG21 THR A 28 69.409 12.010 0.403 1.00 15.00 H new ATOM 0 HG22 THR A 28 68.344 12.121 1.825 1.00 15.00 H new ATOM 0 HG23 THR A 28 69.045 10.553 1.358 1.00 15.00 H new ATOM 479 N ILE A 29 64.128 11.343 0.426 1.00 15.00 N ATOM 480 CA ILE A 29 62.813 11.367 -0.289 1.00 15.00 C ATOM 481 C ILE A 29 62.680 12.674 -1.081 1.00 15.00 C ATOM 482 O ILE A 29 62.831 13.752 -0.537 1.00 15.00 O ATOM 483 CB ILE A 29 61.744 11.291 0.816 1.00 15.00 C ATOM 484 CG1 ILE A 29 61.933 10.015 1.650 1.00 15.00 C ATOM 485 CG2 ILE A 29 60.347 11.268 0.185 1.00 15.00 C ATOM 486 CD1 ILE A 29 61.075 10.095 2.917 1.00 15.00 C ATOM 0 H ILE A 29 64.243 12.065 1.137 1.00 15.00 H new ATOM 0 HA ILE A 29 62.711 10.546 -0.998 1.00 15.00 H new ATOM 0 HB ILE A 29 61.847 12.165 1.459 1.00 15.00 H new ATOM 0 HG12 ILE A 29 61.652 9.140 1.063 1.00 15.00 H new ATOM 0 HG13 ILE A 29 62.983 9.896 1.917 1.00 15.00 H new ATOM 0 HG21 ILE A 29 59.594 11.214 0.971 1.00 15.00 H new ATOM 0 HG22 ILE A 29 60.197 12.175 -0.400 1.00 15.00 H new ATOM 0 HG23 ILE A 29 60.256 10.398 -0.465 1.00 15.00 H new ATOM 0 HD11 ILE A 29 61.211 9.188 3.507 1.00 15.00 H new ATOM 0 HD12 ILE A 29 61.377 10.960 3.507 1.00 15.00 H new ATOM 0 HD13 ILE A 29 60.025 10.193 2.640 1.00 15.00 H new ATOM 498 N ASP A 30 62.397 12.582 -2.359 1.00 15.00 N ATOM 499 CA ASP A 30 62.210 13.812 -3.185 1.00 15.00 C ATOM 500 C ASP A 30 60.746 13.928 -3.620 1.00 15.00 C ATOM 501 O ASP A 30 60.331 13.314 -4.586 1.00 15.00 O ATOM 502 CB ASP A 30 63.119 13.619 -4.399 1.00 15.00 C ATOM 503 CG ASP A 30 63.209 14.930 -5.183 1.00 15.00 C ATOM 504 OD1 ASP A 30 64.094 15.715 -4.886 1.00 15.00 O ATOM 505 OD2 ASP A 30 62.391 15.126 -6.067 1.00 15.00 O ATOM 0 H ASP A 30 62.288 11.703 -2.865 1.00 15.00 H new ATOM 0 HA ASP A 30 62.456 14.722 -2.638 1.00 15.00 H new ATOM 0 HB2 ASP A 30 64.112 13.307 -4.077 1.00 15.00 H new ATOM 0 HB3 ASP A 30 62.727 12.827 -5.038 1.00 15.00 H new ATOM 510 N THR A 31 59.968 14.710 -2.913 1.00 15.00 N ATOM 511 CA THR A 31 58.509 14.821 -3.237 1.00 15.00 C ATOM 512 C THR A 31 58.310 15.584 -4.550 1.00 15.00 C ATOM 513 O THR A 31 57.429 15.269 -5.328 1.00 15.00 O ATOM 514 CB THR A 31 57.891 15.596 -2.068 1.00 15.00 C ATOM 515 OG1 THR A 31 58.297 15.004 -0.843 1.00 15.00 O ATOM 516 CG2 THR A 31 56.365 15.556 -2.176 1.00 15.00 C ATOM 0 H THR A 31 60.279 15.277 -2.125 1.00 15.00 H new ATOM 0 HA THR A 31 58.046 13.843 -3.365 1.00 15.00 H new ATOM 0 HB THR A 31 58.227 16.632 -2.100 1.00 15.00 H new ATOM 0 HG1 THR A 31 57.904 15.499 -0.094 1.00 15.00 H new ATOM 0 HG21 THR A 31 55.927 16.107 -1.344 1.00 15.00 H new ATOM 0 HG22 THR A 31 56.055 16.011 -3.117 1.00 15.00 H new ATOM 0 HG23 THR A 31 56.025 14.521 -2.144 1.00 15.00 H new ATOM 524 N GLU A 32 59.129 16.575 -4.805 1.00 15.00 N ATOM 525 CA GLU A 32 58.884 17.488 -5.973 1.00 15.00 C ATOM 526 C GLU A 32 58.862 16.704 -7.292 1.00 15.00 C ATOM 527 O GLU A 32 58.194 17.089 -8.234 1.00 15.00 O ATOM 528 CB GLU A 32 60.052 18.478 -5.967 1.00 15.00 C ATOM 529 CG GLU A 32 59.962 19.369 -4.725 1.00 15.00 C ATOM 530 CD GLU A 32 61.079 20.413 -4.763 1.00 15.00 C ATOM 531 OE1 GLU A 32 60.784 21.557 -5.069 1.00 15.00 O ATOM 532 OE2 GLU A 32 62.211 20.052 -4.485 1.00 15.00 O ATOM 0 H GLU A 32 59.960 16.794 -4.255 1.00 15.00 H new ATOM 0 HA GLU A 32 57.919 17.988 -5.890 1.00 15.00 H new ATOM 0 HB2 GLU A 32 60.999 17.939 -5.973 1.00 15.00 H new ATOM 0 HB3 GLU A 32 60.028 19.090 -6.869 1.00 15.00 H new ATOM 0 HG2 GLU A 32 58.990 19.862 -4.688 1.00 15.00 H new ATOM 0 HG3 GLU A 32 60.047 18.763 -3.823 1.00 15.00 H new ATOM 539 N ASN A 33 59.585 15.612 -7.362 1.00 15.00 N ATOM 540 CA ASN A 33 59.656 14.834 -8.642 1.00 15.00 C ATOM 541 C ASN A 33 59.053 13.429 -8.482 1.00 15.00 C ATOM 542 O ASN A 33 59.246 12.575 -9.327 1.00 15.00 O ATOM 543 CB ASN A 33 61.149 14.737 -8.959 1.00 15.00 C ATOM 544 CG ASN A 33 61.702 16.127 -9.292 1.00 15.00 C ATOM 545 OD1 ASN A 33 60.994 16.972 -9.807 1.00 15.00 O ATOM 546 ND2 ASN A 33 62.949 16.401 -9.022 1.00 15.00 N ATOM 0 H ASN A 33 60.129 15.225 -6.590 1.00 15.00 H new ATOM 0 HA ASN A 33 59.088 15.319 -9.436 1.00 15.00 H new ATOM 0 HB2 ASN A 33 61.684 14.317 -8.107 1.00 15.00 H new ATOM 0 HB3 ASN A 33 61.308 14.062 -9.800 1.00 15.00 H new ATOM 0 HD21 ASN A 33 63.328 17.322 -9.243 1.00 15.00 H new ATOM 0 HD22 ASN A 33 63.545 15.694 -8.590 1.00 15.00 H new ATOM 553 N SER A 34 58.322 13.177 -7.410 1.00 15.00 N ATOM 554 CA SER A 34 57.763 11.802 -7.152 1.00 15.00 C ATOM 555 C SER A 34 58.855 10.723 -7.278 1.00 15.00 C ATOM 556 O SER A 34 58.665 9.706 -7.923 1.00 15.00 O ATOM 557 CB SER A 34 56.676 11.604 -8.214 1.00 15.00 C ATOM 558 OG SER A 34 56.019 10.364 -7.987 1.00 15.00 O ATOM 0 H SER A 34 58.089 13.871 -6.700 1.00 15.00 H new ATOM 0 HA SER A 34 57.367 11.713 -6.141 1.00 15.00 H new ATOM 0 HB2 SER A 34 55.957 12.423 -8.173 1.00 15.00 H new ATOM 0 HB3 SER A 34 57.118 11.618 -9.210 1.00 15.00 H new ATOM 0 HG SER A 34 56.676 9.637 -8.006 1.00 15.00 H new ATOM 564 N THR A 35 59.993 10.944 -6.665 1.00 15.00 N ATOM 565 CA THR A 35 61.118 9.962 -6.779 1.00 15.00 C ATOM 566 C THR A 35 61.693 9.642 -5.395 1.00 15.00 C ATOM 567 O THR A 35 61.672 10.464 -4.498 1.00 15.00 O ATOM 568 CB THR A 35 62.171 10.656 -7.647 1.00 15.00 C ATOM 569 OG1 THR A 35 62.382 11.976 -7.167 1.00 15.00 O ATOM 570 CG2 THR A 35 61.699 10.710 -9.104 1.00 15.00 C ATOM 0 H THR A 35 60.192 11.763 -6.090 1.00 15.00 H new ATOM 0 HA THR A 35 60.791 9.017 -7.212 1.00 15.00 H new ATOM 0 HB THR A 35 63.103 10.093 -7.597 1.00 15.00 H new ATOM 0 HG1 THR A 35 63.057 12.421 -7.721 1.00 15.00 H new ATOM 0 HG21 THR A 35 62.455 11.205 -9.713 1.00 15.00 H new ATOM 0 HG22 THR A 35 61.542 9.697 -9.473 1.00 15.00 H new ATOM 0 HG23 THR A 35 60.764 11.266 -9.163 1.00 15.00 H new ATOM 578 N VAL A 36 62.210 8.450 -5.222 1.00 15.00 N ATOM 579 CA VAL A 36 62.805 8.061 -3.906 1.00 15.00 C ATOM 580 C VAL A 36 64.193 7.446 -4.130 1.00 15.00 C ATOM 581 O VAL A 36 64.398 6.685 -5.057 1.00 15.00 O ATOM 582 CB VAL A 36 61.835 7.025 -3.312 1.00 15.00 C ATOM 583 CG1 VAL A 36 62.341 6.563 -1.942 1.00 15.00 C ATOM 584 CG2 VAL A 36 60.447 7.654 -3.142 1.00 15.00 C ATOM 0 H VAL A 36 62.245 7.726 -5.940 1.00 15.00 H new ATOM 0 HA VAL A 36 62.934 8.912 -3.237 1.00 15.00 H new ATOM 0 HB VAL A 36 61.774 6.172 -3.988 1.00 15.00 H new ATOM 0 HG11 VAL A 36 61.650 5.830 -1.527 1.00 15.00 H new ATOM 0 HG12 VAL A 36 63.327 6.111 -2.052 1.00 15.00 H new ATOM 0 HG13 VAL A 36 62.407 7.419 -1.271 1.00 15.00 H new ATOM 0 HG21 VAL A 36 59.763 6.917 -2.721 1.00 15.00 H new ATOM 0 HG22 VAL A 36 60.515 8.511 -2.471 1.00 15.00 H new ATOM 0 HG23 VAL A 36 60.075 7.982 -4.113 1.00 15.00 H new ATOM 594 N ALA A 37 65.141 7.774 -3.285 1.00 15.00 N ATOM 595 CA ALA A 37 66.511 7.191 -3.418 1.00 15.00 C ATOM 596 C ALA A 37 66.794 6.245 -2.247 1.00 15.00 C ATOM 597 O ALA A 37 66.627 6.610 -1.096 1.00 15.00 O ATOM 598 CB ALA A 37 67.466 8.388 -3.388 1.00 15.00 C ATOM 0 H ALA A 37 65.023 8.423 -2.507 1.00 15.00 H new ATOM 0 HA ALA A 37 66.624 6.610 -4.333 1.00 15.00 H new ATOM 0 HB1 ALA A 37 68.493 8.036 -3.481 1.00 15.00 H new ATOM 0 HB2 ALA A 37 67.235 9.058 -4.216 1.00 15.00 H new ATOM 0 HB3 ALA A 37 67.350 8.923 -2.445 1.00 15.00 H new ATOM 604 N LEU A 38 67.223 5.041 -2.540 1.00 15.00 N ATOM 605 CA LEU A 38 67.492 4.044 -1.460 1.00 15.00 C ATOM 606 C LEU A 38 68.976 3.675 -1.452 1.00 15.00 C ATOM 607 O LEU A 38 69.584 3.505 -2.492 1.00 15.00 O ATOM 608 CB LEU A 38 66.646 2.820 -1.824 1.00 15.00 C ATOM 609 CG LEU A 38 65.201 3.030 -1.370 1.00 15.00 C ATOM 610 CD1 LEU A 38 64.295 2.019 -2.075 1.00 15.00 C ATOM 611 CD2 LEU A 38 65.105 2.823 0.142 1.00 15.00 C ATOM 0 H LEU A 38 67.399 4.706 -3.487 1.00 15.00 H new ATOM 0 HA LEU A 38 67.245 4.430 -0.471 1.00 15.00 H new ATOM 0 HB2 LEU A 38 66.677 2.653 -2.901 1.00 15.00 H new ATOM 0 HB3 LEU A 38 67.059 1.929 -1.351 1.00 15.00 H new ATOM 0 HG LEU A 38 64.886 4.043 -1.621 1.00 15.00 H new ATOM 0 HD11 LEU A 38 63.264 2.167 -1.753 1.00 15.00 H new ATOM 0 HD12 LEU A 38 64.362 2.161 -3.154 1.00 15.00 H new ATOM 0 HD13 LEU A 38 64.612 1.007 -1.822 1.00 15.00 H new ATOM 0 HD21 LEU A 38 64.075 2.973 0.465 1.00 15.00 H new ATOM 0 HD22 LEU A 38 65.420 1.810 0.391 1.00 15.00 H new ATOM 0 HD23 LEU A 38 65.752 3.539 0.649 1.00 15.00 H new ATOM 623 N ALA A 39 69.559 3.551 -0.285 1.00 15.00 N ATOM 624 CA ALA A 39 71.001 3.171 -0.195 1.00 15.00 C ATOM 625 C ALA A 39 71.137 1.811 0.492 1.00 15.00 C ATOM 626 O ALA A 39 70.225 1.352 1.157 1.00 15.00 O ATOM 627 CB ALA A 39 71.651 4.269 0.647 1.00 15.00 C ATOM 0 H ALA A 39 69.096 3.697 0.612 1.00 15.00 H new ATOM 0 HA ALA A 39 71.471 3.084 -1.174 1.00 15.00 H new ATOM 0 HB1 ALA A 39 72.715 4.060 0.759 1.00 15.00 H new ATOM 0 HB2 ALA A 39 71.520 5.232 0.153 1.00 15.00 H new ATOM 0 HB3 ALA A 39 71.182 4.299 1.631 1.00 15.00 H new ATOM 633 N LYS A 40 72.272 1.161 0.337 1.00 15.00 N ATOM 634 CA LYS A 40 72.467 -0.215 0.914 1.00 15.00 C ATOM 635 C LYS A 40 71.312 -1.139 0.493 1.00 15.00 C ATOM 636 O LYS A 40 70.577 -1.654 1.318 1.00 15.00 O ATOM 637 CB LYS A 40 72.490 -0.022 2.437 1.00 15.00 C ATOM 638 CG LYS A 40 72.925 -1.324 3.111 1.00 15.00 C ATOM 639 CD LYS A 40 72.898 -1.147 4.631 1.00 15.00 C ATOM 640 CE LYS A 40 73.490 -2.388 5.301 1.00 15.00 C ATOM 641 NZ LYS A 40 74.007 -1.908 6.611 1.00 15.00 N ATOM 0 H LYS A 40 73.078 1.528 -0.169 1.00 15.00 H new ATOM 0 HA LYS A 40 73.386 -0.681 0.559 1.00 15.00 H new ATOM 0 HB2 LYS A 40 73.175 0.783 2.702 1.00 15.00 H new ATOM 0 HB3 LYS A 40 71.502 0.271 2.792 1.00 15.00 H new ATOM 0 HG2 LYS A 40 72.261 -2.137 2.817 1.00 15.00 H new ATOM 0 HG3 LYS A 40 73.928 -1.597 2.784 1.00 15.00 H new ATOM 0 HD2 LYS A 40 73.467 -0.262 4.915 1.00 15.00 H new ATOM 0 HD3 LYS A 40 71.874 -0.991 4.971 1.00 15.00 H new ATOM 0 HE2 LYS A 40 72.735 -3.163 5.434 1.00 15.00 H new ATOM 0 HE3 LYS A 40 74.287 -2.821 4.697 1.00 15.00 H new ATOM 0 HZ1 LYS A 40 74.429 -2.704 7.130 1.00 15.00 H new ATOM 0 HZ2 LYS A 40 74.729 -1.176 6.452 1.00 15.00 H new ATOM 0 HZ3 LYS A 40 73.225 -1.508 7.167 1.00 15.00 H new ATOM 655 N VAL A 41 71.156 -1.349 -0.793 1.00 15.00 N ATOM 656 CA VAL A 41 69.963 -2.097 -1.299 1.00 15.00 C ATOM 657 C VAL A 41 70.398 -3.263 -2.197 1.00 15.00 C ATOM 658 O VAL A 41 71.374 -3.172 -2.918 1.00 15.00 O ATOM 659 CB VAL A 41 69.138 -1.058 -2.082 1.00 15.00 C ATOM 660 CG1 VAL A 41 69.890 -0.602 -3.342 1.00 15.00 C ATOM 661 CG2 VAL A 41 67.796 -1.675 -2.491 1.00 15.00 C ATOM 0 H VAL A 41 71.805 -1.034 -1.514 1.00 15.00 H new ATOM 0 HA VAL A 41 69.380 -2.540 -0.492 1.00 15.00 H new ATOM 0 HB VAL A 41 68.972 -0.193 -1.440 1.00 15.00 H new ATOM 0 HG11 VAL A 41 69.289 0.131 -3.879 1.00 15.00 H new ATOM 0 HG12 VAL A 41 70.841 -0.152 -3.056 1.00 15.00 H new ATOM 0 HG13 VAL A 41 70.075 -1.461 -3.986 1.00 15.00 H new ATOM 0 HG21 VAL A 41 67.212 -0.940 -3.045 1.00 15.00 H new ATOM 0 HG22 VAL A 41 67.973 -2.547 -3.120 1.00 15.00 H new ATOM 0 HG23 VAL A 41 67.247 -1.977 -1.599 1.00 15.00 H new ATOM 671 N ARG A 42 69.675 -4.354 -2.150 1.00 15.00 N ATOM 672 CA ARG A 42 70.021 -5.533 -3.002 1.00 15.00 C ATOM 673 C ARG A 42 68.749 -6.156 -3.590 1.00 15.00 C ATOM 674 O ARG A 42 67.670 -6.008 -3.044 1.00 15.00 O ATOM 675 CB ARG A 42 70.740 -6.519 -2.067 1.00 15.00 C ATOM 676 CG ARG A 42 69.832 -6.908 -0.892 1.00 15.00 C ATOM 677 CD ARG A 42 70.637 -7.717 0.129 1.00 15.00 C ATOM 678 NE ARG A 42 69.650 -8.108 1.183 1.00 15.00 N ATOM 679 CZ ARG A 42 69.229 -7.247 2.090 1.00 15.00 C ATOM 680 NH1 ARG A 42 69.640 -5.999 2.101 1.00 15.00 N ATOM 681 NH2 ARG A 42 68.379 -7.643 2.998 1.00 15.00 N ATOM 0 H ARG A 42 68.856 -4.479 -1.555 1.00 15.00 H new ATOM 0 HA ARG A 42 70.652 -5.257 -3.847 1.00 15.00 H new ATOM 0 HB2 ARG A 42 71.028 -7.412 -2.623 1.00 15.00 H new ATOM 0 HB3 ARG A 42 71.658 -6.068 -1.691 1.00 15.00 H new ATOM 0 HG2 ARG A 42 69.424 -6.013 -0.422 1.00 15.00 H new ATOM 0 HG3 ARG A 42 68.986 -7.494 -1.251 1.00 15.00 H new ATOM 0 HD2 ARG A 42 71.089 -8.595 -0.332 1.00 15.00 H new ATOM 0 HD3 ARG A 42 71.449 -7.124 0.550 1.00 15.00 H new ATOM 0 HE ARG A 42 69.294 -9.064 1.201 1.00 15.00 H new ATOM 0 HH11 ARG A 42 70.302 -5.674 1.396 1.00 15.00 H new ATOM 0 HH12 ARG A 42 69.297 -5.356 2.814 1.00 15.00 H new ATOM 0 HH21 ARG A 42 68.048 -8.608 3.001 1.00 15.00 H new ATOM 0 HH22 ARG A 42 68.046 -6.988 3.705 1.00 15.00 H new ATOM 695 N SER A 43 68.875 -6.847 -4.696 1.00 15.00 N ATOM 696 CA SER A 43 67.680 -7.481 -5.332 1.00 15.00 C ATOM 697 C SER A 43 67.613 -8.966 -4.957 1.00 15.00 C ATOM 698 O SER A 43 68.601 -9.675 -5.024 1.00 15.00 O ATOM 699 CB SER A 43 67.897 -7.302 -6.837 1.00 15.00 C ATOM 700 OG SER A 43 68.919 -8.189 -7.279 1.00 15.00 O ATOM 0 H SER A 43 69.756 -6.999 -5.186 1.00 15.00 H new ATOM 0 HA SER A 43 66.741 -7.034 -5.005 1.00 15.00 H new ATOM 0 HB2 SER A 43 66.970 -7.501 -7.375 1.00 15.00 H new ATOM 0 HB3 SER A 43 68.176 -6.271 -7.055 1.00 15.00 H new ATOM 0 HG SER A 43 69.026 -8.915 -6.629 1.00 15.00 H new ATOM 706 N PHE A 44 66.454 -9.437 -4.564 1.00 15.00 N ATOM 707 CA PHE A 44 66.330 -10.859 -4.109 1.00 15.00 C ATOM 708 C PHE A 44 66.506 -11.816 -5.290 1.00 15.00 C ATOM 709 O PHE A 44 67.135 -12.852 -5.169 1.00 15.00 O ATOM 710 CB PHE A 44 64.918 -10.982 -3.529 1.00 15.00 C ATOM 711 CG PHE A 44 64.766 -10.333 -2.174 1.00 15.00 C ATOM 712 CD1 PHE A 44 65.433 -10.878 -1.049 1.00 15.00 C ATOM 713 CD2 PHE A 44 63.955 -9.182 -2.027 1.00 15.00 C ATOM 714 CE1 PHE A 44 65.289 -10.271 0.222 1.00 15.00 C ATOM 715 CE2 PHE A 44 63.811 -8.575 -0.755 1.00 15.00 C ATOM 716 CZ PHE A 44 64.478 -9.119 0.369 1.00 15.00 C ATOM 0 H PHE A 44 65.588 -8.899 -4.538 1.00 15.00 H new ATOM 0 HA PHE A 44 67.093 -11.116 -3.375 1.00 15.00 H new ATOM 0 HB2 PHE A 44 64.208 -10.530 -4.222 1.00 15.00 H new ATOM 0 HB3 PHE A 44 64.657 -12.037 -3.449 1.00 15.00 H new ATOM 0 HD1 PHE A 44 66.051 -11.756 -1.161 1.00 15.00 H new ATOM 0 HD2 PHE A 44 63.446 -8.767 -2.884 1.00 15.00 H new ATOM 0 HE1 PHE A 44 65.798 -10.686 1.079 1.00 15.00 H new ATOM 0 HE2 PHE A 44 63.192 -7.697 -0.643 1.00 15.00 H new ATOM 0 HZ PHE A 44 64.369 -8.656 1.338 1.00 15.00 H new ATOM 984 N PHE A 62 74.348 -2.714 -3.642 1.00 15.00 N ATOM 985 CA PHE A 62 74.509 -1.429 -4.392 1.00 15.00 C ATOM 986 C PHE A 62 74.468 -0.249 -3.417 1.00 15.00 C ATOM 987 O PHE A 62 73.606 -0.177 -2.561 1.00 15.00 O ATOM 988 CB PHE A 62 73.322 -1.374 -5.353 1.00 15.00 C ATOM 989 CG PHE A 62 73.421 -2.364 -6.490 1.00 15.00 C ATOM 990 CD1 PHE A 62 72.974 -3.696 -6.309 1.00 15.00 C ATOM 991 CD2 PHE A 62 73.959 -1.960 -7.736 1.00 15.00 C ATOM 992 CE1 PHE A 62 73.065 -4.624 -7.374 1.00 15.00 C ATOM 993 CE2 PHE A 62 74.050 -2.889 -8.802 1.00 15.00 C ATOM 994 CZ PHE A 62 73.603 -4.220 -8.621 1.00 15.00 C ATOM 0 HA PHE A 62 75.459 -1.375 -4.923 1.00 15.00 H new ATOM 0 HB2 PHE A 62 72.404 -1.563 -4.796 1.00 15.00 H new ATOM 0 HB3 PHE A 62 73.244 -0.367 -5.764 1.00 15.00 H new ATOM 0 HD1 PHE A 62 72.564 -4.003 -5.358 1.00 15.00 H new ATOM 0 HD2 PHE A 62 74.300 -0.944 -7.874 1.00 15.00 H new ATOM 0 HE1 PHE A 62 72.724 -5.640 -7.236 1.00 15.00 H new ATOM 0 HE2 PHE A 62 74.460 -2.582 -9.753 1.00 15.00 H new ATOM 0 HZ PHE A 62 73.672 -4.928 -9.434 1.00 15.00 H new ATOM 1004 N GLU A 63 75.394 0.670 -3.547 1.00 15.00 N ATOM 1005 CA GLU A 63 75.479 1.806 -2.572 1.00 15.00 C ATOM 1006 C GLU A 63 74.283 2.749 -2.736 1.00 15.00 C ATOM 1007 O GLU A 63 73.666 3.149 -1.766 1.00 15.00 O ATOM 1008 CB GLU A 63 76.782 2.535 -2.909 1.00 15.00 C ATOM 1009 CG GLU A 63 77.974 1.632 -2.580 1.00 15.00 C ATOM 1010 CD GLU A 63 79.278 2.386 -2.848 1.00 15.00 C ATOM 1011 OE1 GLU A 63 79.361 3.543 -2.469 1.00 15.00 O ATOM 1012 OE2 GLU A 63 80.173 1.793 -3.427 1.00 15.00 O ATOM 0 H GLU A 63 76.096 0.684 -4.287 1.00 15.00 H new ATOM 0 HA GLU A 63 75.464 1.453 -1.541 1.00 15.00 H new ATOM 0 HB2 GLU A 63 76.797 2.805 -3.965 1.00 15.00 H new ATOM 0 HB3 GLU A 63 76.848 3.464 -2.342 1.00 15.00 H new ATOM 0 HG2 GLU A 63 77.930 1.320 -1.536 1.00 15.00 H new ATOM 0 HG3 GLU A 63 77.935 0.726 -3.185 1.00 15.00 H new ATOM 1019 N TYR A 64 73.953 3.105 -3.955 1.00 15.00 N ATOM 1020 CA TYR A 64 72.837 4.076 -4.179 1.00 15.00 C ATOM 1021 C TYR A 64 72.114 3.769 -5.495 1.00 15.00 C ATOM 1022 O TYR A 64 72.716 3.760 -6.554 1.00 15.00 O ATOM 1023 CB TYR A 64 73.521 5.441 -4.251 1.00 15.00 C ATOM 1024 CG TYR A 64 72.573 6.608 -4.091 1.00 15.00 C ATOM 1025 CD1 TYR A 64 71.577 6.855 -5.069 1.00 15.00 C ATOM 1026 CD2 TYR A 64 72.685 7.461 -2.966 1.00 15.00 C ATOM 1027 CE1 TYR A 64 70.696 7.953 -4.920 1.00 15.00 C ATOM 1028 CE2 TYR A 64 71.802 8.558 -2.818 1.00 15.00 C ATOM 1029 CZ TYR A 64 70.808 8.803 -3.795 1.00 15.00 C ATOM 1030 OH TYR A 64 69.949 9.873 -3.650 1.00 15.00 O ATOM 0 H TYR A 64 74.408 2.765 -4.802 1.00 15.00 H new ATOM 0 HA TYR A 64 72.085 4.030 -3.391 1.00 15.00 H new ATOM 0 HB2 TYR A 64 74.284 5.496 -3.475 1.00 15.00 H new ATOM 0 HB3 TYR A 64 74.034 5.530 -5.209 1.00 15.00 H new ATOM 0 HD1 TYR A 64 71.490 6.206 -5.928 1.00 15.00 H new ATOM 0 HD2 TYR A 64 73.444 7.275 -2.221 1.00 15.00 H new ATOM 0 HE1 TYR A 64 69.938 8.142 -5.666 1.00 15.00 H new ATOM 0 HE2 TYR A 64 71.887 9.208 -1.960 1.00 15.00 H new ATOM 0 HH TYR A 64 70.161 10.353 -2.823 1.00 15.00 H new ATOM 1040 N ILE A 65 70.829 3.519 -5.431 1.00 15.00 N ATOM 1041 CA ILE A 65 70.020 3.349 -6.683 1.00 15.00 C ATOM 1042 C ILE A 65 68.741 4.192 -6.583 1.00 15.00 C ATOM 1043 O ILE A 65 68.198 4.387 -5.510 1.00 15.00 O ATOM 1044 CB ILE A 65 69.697 1.844 -6.766 1.00 15.00 C ATOM 1045 CG1 ILE A 65 71.006 1.047 -6.875 1.00 15.00 C ATOM 1046 CG2 ILE A 65 68.833 1.560 -8.008 1.00 15.00 C ATOM 1047 CD1 ILE A 65 70.706 -0.423 -7.193 1.00 15.00 C ATOM 0 H ILE A 65 70.302 3.425 -4.563 1.00 15.00 H new ATOM 0 HA ILE A 65 70.551 3.680 -7.575 1.00 15.00 H new ATOM 0 HB ILE A 65 69.153 1.547 -5.870 1.00 15.00 H new ATOM 0 HG12 ILE A 65 71.636 1.474 -7.655 1.00 15.00 H new ATOM 0 HG13 ILE A 65 71.563 1.118 -5.941 1.00 15.00 H new ATOM 0 HG21 ILE A 65 68.609 0.494 -8.060 1.00 15.00 H new ATOM 0 HG22 ILE A 65 67.902 2.124 -7.940 1.00 15.00 H new ATOM 0 HG23 ILE A 65 69.375 1.861 -8.905 1.00 15.00 H new ATOM 0 HD11 ILE A 65 71.642 -0.977 -7.268 1.00 15.00 H new ATOM 0 HD12 ILE A 65 70.094 -0.850 -6.398 1.00 15.00 H new ATOM 0 HD13 ILE A 65 70.169 -0.488 -8.139 1.00 15.00 H new ATOM 1059 N ILE A 66 68.261 4.691 -7.699 1.00 15.00 N ATOM 1060 CA ILE A 66 67.059 5.584 -7.679 1.00 15.00 C ATOM 1061 C ILE A 66 65.871 4.884 -8.352 1.00 15.00 C ATOM 1062 O ILE A 66 66.020 4.232 -9.370 1.00 15.00 O ATOM 1063 CB ILE A 66 67.472 6.838 -8.471 1.00 15.00 C ATOM 1064 CG1 ILE A 66 68.664 7.517 -7.786 1.00 15.00 C ATOM 1065 CG2 ILE A 66 66.304 7.830 -8.527 1.00 15.00 C ATOM 1066 CD1 ILE A 66 69.281 8.546 -8.735 1.00 15.00 C ATOM 0 H ILE A 66 68.652 4.517 -8.625 1.00 15.00 H new ATOM 0 HA ILE A 66 66.748 5.834 -6.665 1.00 15.00 H new ATOM 0 HB ILE A 66 67.748 6.537 -9.482 1.00 15.00 H new ATOM 0 HG12 ILE A 66 68.339 8.004 -6.866 1.00 15.00 H new ATOM 0 HG13 ILE A 66 69.409 6.772 -7.507 1.00 15.00 H new ATOM 0 HG21 ILE A 66 66.604 8.714 -9.089 1.00 15.00 H new ATOM 0 HG22 ILE A 66 65.451 7.361 -9.018 1.00 15.00 H new ATOM 0 HG23 ILE A 66 66.025 8.121 -7.514 1.00 15.00 H new ATOM 0 HD11 ILE A 66 70.128 9.028 -8.248 1.00 15.00 H new ATOM 0 HD12 ILE A 66 69.621 8.046 -9.642 1.00 15.00 H new ATOM 0 HD13 ILE A 66 68.534 9.297 -8.992 1.00 15.00 H new ATOM 1078 N PHE A 67 64.697 5.019 -7.785 1.00 15.00 N ATOM 1079 CA PHE A 67 63.469 4.462 -8.430 1.00 15.00 C ATOM 1080 C PHE A 67 62.387 5.544 -8.508 1.00 15.00 C ATOM 1081 O PHE A 67 62.266 6.370 -7.623 1.00 15.00 O ATOM 1082 CB PHE A 67 63.022 3.320 -7.518 1.00 15.00 C ATOM 1083 CG PHE A 67 63.960 2.136 -7.531 1.00 15.00 C ATOM 1084 CD1 PHE A 67 63.979 1.260 -8.644 1.00 15.00 C ATOM 1085 CD2 PHE A 67 64.820 1.902 -6.430 1.00 15.00 C ATOM 1086 CE1 PHE A 67 64.858 0.150 -8.655 1.00 15.00 C ATOM 1087 CE2 PHE A 67 65.699 0.792 -6.443 1.00 15.00 C ATOM 1088 CZ PHE A 67 65.717 -0.084 -7.555 1.00 15.00 C ATOM 0 H PHE A 67 64.537 5.495 -6.897 1.00 15.00 H new ATOM 0 HA PHE A 67 63.653 4.117 -9.447 1.00 15.00 H new ATOM 0 HB2 PHE A 67 62.935 3.693 -6.498 1.00 15.00 H new ATOM 0 HB3 PHE A 67 62.029 2.990 -7.822 1.00 15.00 H new ATOM 0 HD1 PHE A 67 63.324 1.439 -9.484 1.00 15.00 H new ATOM 0 HD2 PHE A 67 64.805 2.570 -5.581 1.00 15.00 H new ATOM 0 HE1 PHE A 67 64.873 -0.518 -9.503 1.00 15.00 H new ATOM 0 HE2 PHE A 67 66.356 0.614 -5.604 1.00 15.00 H new ATOM 0 HZ PHE A 67 66.387 -0.931 -7.564 1.00 15.00 H new ATOM 1098 N ARG A 68 61.604 5.541 -9.559 1.00 15.00 N ATOM 1099 CA ARG A 68 60.538 6.579 -9.712 1.00 15.00 C ATOM 1100 C ARG A 68 59.155 5.952 -9.510 1.00 15.00 C ATOM 1101 O ARG A 68 58.954 4.780 -9.766 1.00 15.00 O ATOM 1102 CB ARG A 68 60.687 7.099 -11.144 1.00 15.00 C ATOM 1103 CG ARG A 68 62.014 7.849 -11.281 1.00 15.00 C ATOM 1104 CD ARG A 68 62.090 8.505 -12.664 1.00 15.00 C ATOM 1105 NE ARG A 68 63.483 9.048 -12.770 1.00 15.00 N ATOM 1106 CZ ARG A 68 64.002 9.384 -13.936 1.00 15.00 C ATOM 1107 NH1 ARG A 68 63.322 9.267 -15.053 1.00 15.00 N ATOM 1108 NH2 ARG A 68 65.221 9.851 -13.978 1.00 15.00 N ATOM 0 H ARG A 68 61.658 4.863 -10.319 1.00 15.00 H new ATOM 0 HA ARG A 68 60.635 7.379 -8.978 1.00 15.00 H new ATOM 0 HB2 ARG A 68 60.652 6.268 -11.849 1.00 15.00 H new ATOM 0 HB3 ARG A 68 59.856 7.761 -11.390 1.00 15.00 H new ATOM 0 HG2 ARG A 68 62.098 8.607 -10.502 1.00 15.00 H new ATOM 0 HG3 ARG A 68 62.848 7.161 -11.147 1.00 15.00 H new ATOM 0 HD2 ARG A 68 61.889 7.781 -13.454 1.00 15.00 H new ATOM 0 HD3 ARG A 68 61.350 9.299 -12.764 1.00 15.00 H new ATOM 0 HE ARG A 68 64.041 9.160 -11.924 1.00 15.00 H new ATOM 0 HH11 ARG A 68 62.367 8.909 -15.034 1.00 15.00 H new ATOM 0 HH12 ARG A 68 63.749 9.534 -15.940 1.00 15.00 H new ATOM 0 HH21 ARG A 68 65.758 9.952 -13.117 1.00 15.00 H new ATOM 0 HH22 ARG A 68 65.636 10.115 -14.872 1.00 15.00 H new ATOM 1122 N GLY A 69 58.200 6.729 -9.053 1.00 15.00 N ATOM 1123 CA GLY A 69 56.824 6.187 -8.801 1.00 15.00 C ATOM 1124 C GLY A 69 56.244 5.561 -10.080 1.00 15.00 C ATOM 1125 O GLY A 69 55.402 4.684 -10.015 1.00 15.00 O ATOM 0 H GLY A 69 58.315 7.720 -8.843 1.00 15.00 H new ATOM 0 HA2 GLY A 69 56.862 5.439 -8.009 1.00 15.00 H new ATOM 0 HA3 GLY A 69 56.171 6.987 -8.453 1.00 15.00 H new ATOM 1129 N SER A 70 56.687 6.004 -11.234 1.00 15.00 N ATOM 1130 CA SER A 70 56.135 5.460 -12.518 1.00 15.00 C ATOM 1131 C SER A 70 56.496 3.977 -12.679 1.00 15.00 C ATOM 1132 O SER A 70 55.661 3.166 -13.038 1.00 15.00 O ATOM 1133 CB SER A 70 56.787 6.288 -13.626 1.00 15.00 C ATOM 1134 OG SER A 70 56.544 7.669 -13.385 1.00 15.00 O ATOM 0 H SER A 70 57.407 6.719 -11.342 1.00 15.00 H new ATOM 0 HA SER A 70 55.047 5.526 -12.546 1.00 15.00 H new ATOM 0 HB2 SER A 70 57.859 6.095 -13.657 1.00 15.00 H new ATOM 0 HB3 SER A 70 56.384 6.000 -14.597 1.00 15.00 H new ATOM 0 HG SER A 70 56.962 8.203 -14.092 1.00 15.00 H new ATOM 1140 N ASP A 71 57.731 3.621 -12.416 1.00 15.00 N ATOM 1141 CA ASP A 71 58.164 2.199 -12.609 1.00 15.00 C ATOM 1142 C ASP A 71 57.766 1.342 -11.399 1.00 15.00 C ATOM 1143 O ASP A 71 57.491 0.163 -11.531 1.00 15.00 O ATOM 1144 CB ASP A 71 59.694 2.248 -12.775 1.00 15.00 C ATOM 1145 CG ASP A 71 60.357 2.819 -11.515 1.00 15.00 C ATOM 1146 OD1 ASP A 71 60.563 2.062 -10.581 1.00 15.00 O ATOM 1147 OD2 ASP A 71 60.647 4.004 -11.508 1.00 15.00 O ATOM 0 H ASP A 71 58.457 4.252 -12.077 1.00 15.00 H new ATOM 0 HA ASP A 71 57.686 1.746 -13.477 1.00 15.00 H new ATOM 0 HB2 ASP A 71 60.076 1.246 -12.971 1.00 15.00 H new ATOM 0 HB3 ASP A 71 59.952 2.862 -13.638 1.00 15.00 H new ATOM 1152 N ILE A 72 57.735 1.928 -10.225 1.00 15.00 N ATOM 1153 CA ILE A 72 57.354 1.153 -8.997 1.00 15.00 C ATOM 1154 C ILE A 72 55.881 0.730 -9.084 1.00 15.00 C ATOM 1155 O ILE A 72 55.039 1.483 -9.538 1.00 15.00 O ATOM 1156 CB ILE A 72 57.579 2.111 -7.812 1.00 15.00 C ATOM 1157 CG1 ILE A 72 59.054 2.525 -7.749 1.00 15.00 C ATOM 1158 CG2 ILE A 72 57.204 1.416 -6.497 1.00 15.00 C ATOM 1159 CD1 ILE A 72 59.204 3.738 -6.831 1.00 15.00 C ATOM 0 H ILE A 72 57.957 2.910 -10.063 1.00 15.00 H new ATOM 0 HA ILE A 72 57.944 0.243 -8.886 1.00 15.00 H new ATOM 0 HB ILE A 72 56.953 2.992 -7.953 1.00 15.00 H new ATOM 0 HG12 ILE A 72 59.659 1.698 -7.378 1.00 15.00 H new ATOM 0 HG13 ILE A 72 59.419 2.764 -8.748 1.00 15.00 H new ATOM 0 HG21 ILE A 72 57.366 2.101 -5.664 1.00 15.00 H new ATOM 0 HG22 ILE A 72 56.155 1.123 -6.527 1.00 15.00 H new ATOM 0 HG23 ILE A 72 57.824 0.530 -6.364 1.00 15.00 H new ATOM 0 HD11 ILE A 72 60.252 4.033 -6.786 1.00 15.00 H new ATOM 0 HD12 ILE A 72 58.611 4.565 -7.221 1.00 15.00 H new ATOM 0 HD13 ILE A 72 58.856 3.482 -5.830 1.00 15.00 H new ATOM 1171 N LYS A 73 55.574 -0.467 -8.649 1.00 15.00 N ATOM 1172 CA LYS A 73 54.162 -0.952 -8.698 1.00 15.00 C ATOM 1173 C LYS A 73 53.538 -0.906 -7.300 1.00 15.00 C ATOM 1174 O LYS A 73 52.402 -0.504 -7.135 1.00 15.00 O ATOM 1175 CB LYS A 73 54.257 -2.396 -9.197 1.00 15.00 C ATOM 1176 CG LYS A 73 52.855 -2.918 -9.519 1.00 15.00 C ATOM 1177 CD LYS A 73 52.944 -4.379 -9.962 1.00 15.00 C ATOM 1178 CE LYS A 73 51.572 -4.850 -10.449 1.00 15.00 C ATOM 1179 NZ LYS A 73 51.662 -6.336 -10.476 1.00 15.00 N ATOM 0 H LYS A 73 56.244 -1.131 -8.261 1.00 15.00 H new ATOM 0 HA LYS A 73 53.536 -0.338 -9.345 1.00 15.00 H new ATOM 0 HB2 LYS A 73 54.887 -2.444 -10.085 1.00 15.00 H new ATOM 0 HB3 LYS A 73 54.725 -3.024 -8.439 1.00 15.00 H new ATOM 0 HG2 LYS A 73 52.213 -2.831 -8.643 1.00 15.00 H new ATOM 0 HG3 LYS A 73 52.403 -2.315 -10.306 1.00 15.00 H new ATOM 0 HD2 LYS A 73 53.680 -4.484 -10.759 1.00 15.00 H new ATOM 0 HD3 LYS A 73 53.281 -5.001 -9.133 1.00 15.00 H new ATOM 0 HE2 LYS A 73 50.779 -4.515 -9.780 1.00 15.00 H new ATOM 0 HE3 LYS A 73 51.345 -4.450 -11.437 1.00 15.00 H new ATOM 0 HZ1 LYS A 73 50.757 -6.733 -10.801 1.00 15.00 H new ATOM 0 HZ2 LYS A 73 52.420 -6.626 -11.126 1.00 15.00 H new ATOM 0 HZ3 LYS A 73 51.872 -6.689 -9.520 1.00 15.00 H new ATOM 1193 N ASP A 74 54.277 -1.317 -6.295 1.00 15.00 N ATOM 1194 CA ASP A 74 53.719 -1.335 -4.906 1.00 15.00 C ATOM 1195 C ASP A 74 54.818 -1.049 -3.877 1.00 15.00 C ATOM 1196 O ASP A 74 55.971 -1.375 -4.086 1.00 15.00 O ATOM 1197 CB ASP A 74 53.168 -2.750 -4.722 1.00 15.00 C ATOM 1198 CG ASP A 74 52.341 -2.814 -3.436 1.00 15.00 C ATOM 1199 OD1 ASP A 74 51.546 -1.914 -3.220 1.00 15.00 O ATOM 1200 OD2 ASP A 74 52.517 -3.762 -2.688 1.00 15.00 O ATOM 0 H ASP A 74 55.241 -1.640 -6.378 1.00 15.00 H new ATOM 0 HA ASP A 74 52.953 -0.573 -4.763 1.00 15.00 H new ATOM 0 HB2 ASP A 74 52.551 -3.025 -5.577 1.00 15.00 H new ATOM 0 HB3 ASP A 74 53.987 -3.467 -4.676 1.00 15.00 H new ATOM 1205 N LEU A 75 54.462 -0.443 -2.769 1.00 15.00 N ATOM 1206 CA LEU A 75 55.471 -0.145 -1.704 1.00 15.00 C ATOM 1207 C LEU A 75 54.962 -0.636 -0.344 1.00 15.00 C ATOM 1208 O LEU A 75 53.838 -0.367 0.039 1.00 15.00 O ATOM 1209 CB LEU A 75 55.605 1.379 -1.706 1.00 15.00 C ATOM 1210 CG LEU A 75 56.836 1.791 -0.893 1.00 15.00 C ATOM 1211 CD1 LEU A 75 57.320 3.167 -1.359 1.00 15.00 C ATOM 1212 CD2 LEU A 75 56.472 1.859 0.592 1.00 15.00 C ATOM 0 H LEU A 75 53.511 -0.141 -2.556 1.00 15.00 H new ATOM 0 HA LEU A 75 56.425 -0.640 -1.885 1.00 15.00 H new ATOM 0 HB2 LEU A 75 55.694 1.744 -2.729 1.00 15.00 H new ATOM 0 HB3 LEU A 75 54.709 1.833 -1.282 1.00 15.00 H new ATOM 0 HG LEU A 75 57.627 1.056 -1.040 1.00 15.00 H new ATOM 0 HD11 LEU A 75 58.196 3.460 -0.780 1.00 15.00 H new ATOM 0 HD12 LEU A 75 57.582 3.122 -2.416 1.00 15.00 H new ATOM 0 HD13 LEU A 75 56.527 3.900 -1.213 1.00 15.00 H new ATOM 0 HD21 LEU A 75 57.349 2.152 1.169 1.00 15.00 H new ATOM 0 HD22 LEU A 75 55.679 2.592 0.739 1.00 15.00 H new ATOM 0 HD23 LEU A 75 56.128 0.881 0.927 1.00 15.00 H new ATOM 1224 N THR A 76 55.784 -1.356 0.386 1.00 15.00 N ATOM 1225 CA THR A 76 55.363 -1.859 1.731 1.00 15.00 C ATOM 1226 C THR A 76 56.446 -1.560 2.775 1.00 15.00 C ATOM 1227 O THR A 76 57.627 -1.639 2.493 1.00 15.00 O ATOM 1228 CB THR A 76 55.194 -3.369 1.552 1.00 15.00 C ATOM 1229 OG1 THR A 76 54.377 -3.619 0.417 1.00 15.00 O ATOM 1230 CG2 THR A 76 54.534 -3.963 2.798 1.00 15.00 C ATOM 0 H THR A 76 56.730 -1.616 0.106 1.00 15.00 H new ATOM 0 HA THR A 76 54.447 -1.383 2.081 1.00 15.00 H new ATOM 0 HB THR A 76 56.171 -3.830 1.408 1.00 15.00 H new ATOM 0 HG1 THR A 76 54.268 -4.586 0.299 1.00 15.00 H new ATOM 0 HG21 THR A 76 54.414 -5.039 2.669 1.00 15.00 H new ATOM 0 HG22 THR A 76 55.160 -3.770 3.669 1.00 15.00 H new ATOM 0 HG23 THR A 76 53.556 -3.504 2.945 1.00 15.00 H new