USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 542 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 Single : A 31 THR OG1 : rot 180:sc= -0.165 USER MOD Single : A 37 THR OG1 : rot -38:sc= 0.0681 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -2.38 X(o=-2.4,f=-2) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot 28:sc= -0.0839 USER MOD Single : A 78 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.5) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.773 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.983 -10.350 -3.030 1.00 0.00 N ATOM 211 CA GLU A 19 6.862 -10.442 -1.870 1.00 0.00 C ATOM 212 C GLU A 19 6.741 -9.199 -0.997 1.00 0.00 C ATOM 213 O GLU A 19 7.361 -8.171 -1.272 1.00 0.00 O ATOM 214 CB GLU A 19 8.314 -10.627 -2.318 1.00 0.00 C ATOM 215 CG GLU A 19 8.609 -12.012 -2.871 1.00 0.00 C ATOM 216 CD GLU A 19 9.147 -12.959 -1.816 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.054 -12.553 -1.061 1.00 0.00 O ATOM 218 OE2 GLU A 19 8.660 -14.107 -1.745 1.00 0.00 O ATOM 0 HA GLU A 19 6.558 -11.308 -1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.548 -9.883 -3.080 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.974 -10.435 -1.472 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.698 -12.430 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.332 -11.929 -3.682 1.00 0.00 H new ATOM 225 N VAL A 20 5.938 -9.298 0.058 1.00 0.00 N ATOM 226 CA VAL A 20 5.733 -8.181 0.972 1.00 0.00 C ATOM 227 C VAL A 20 7.029 -7.814 1.694 1.00 0.00 C ATOM 228 O VAL A 20 7.525 -8.583 2.517 1.00 0.00 O ATOM 229 CB VAL A 20 4.652 -8.506 2.019 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.313 -7.271 2.840 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.408 -9.066 1.346 1.00 0.00 C ATOM 0 H VAL A 20 5.418 -10.142 0.301 1.00 0.00 H new ATOM 0 HA VAL A 20 5.404 -7.335 0.369 1.00 0.00 H new ATOM 0 HB VAL A 20 5.045 -9.266 2.695 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.547 -7.521 3.574 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.207 -6.919 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.941 -6.487 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.655 -9.290 2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.012 -8.331 0.645 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.665 -9.979 0.808 1.00 0.00 H new ATOM 241 N PRO A 21 7.599 -6.631 1.396 1.00 0.00 N ATOM 242 CA PRO A 21 8.843 -6.176 2.026 1.00 0.00 C ATOM 243 C PRO A 21 8.767 -6.207 3.549 1.00 0.00 C ATOM 244 O PRO A 21 7.714 -6.485 4.123 1.00 0.00 O ATOM 245 CB PRO A 21 8.990 -4.735 1.529 1.00 0.00 C ATOM 246 CG PRO A 21 8.227 -4.693 0.253 1.00 0.00 C ATOM 247 CD PRO A 21 7.080 -5.649 0.425 1.00 0.00 C ATOM 0 HA PRO A 21 9.686 -6.818 1.769 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.590 -4.024 2.252 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.037 -4.475 1.372 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.867 -3.685 0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.856 -4.985 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.189 -5.145 0.800 1.00 0.00 H new ATOM 0 HD3 PRO A 21 6.806 -6.122 -0.518 1.00 0.00 H new ATOM 255 N GLU A 22 9.891 -5.919 4.198 1.00 0.00 N ATOM 256 CA GLU A 22 9.953 -5.912 5.655 1.00 0.00 C ATOM 257 C GLU A 22 9.688 -4.514 6.217 1.00 0.00 C ATOM 258 O GLU A 22 9.767 -4.300 7.427 1.00 0.00 O ATOM 259 CB GLU A 22 11.321 -6.413 6.127 1.00 0.00 C ATOM 260 CG GLU A 22 11.246 -7.659 6.996 1.00 0.00 C ATOM 261 CD GLU A 22 11.983 -8.839 6.393 1.00 0.00 C ATOM 262 OE1 GLU A 22 11.456 -9.437 5.432 1.00 0.00 O ATOM 263 OE2 GLU A 22 13.084 -9.164 6.881 1.00 0.00 O ATOM 0 H GLU A 22 10.771 -5.687 3.738 1.00 0.00 H new ATOM 0 HA GLU A 22 9.176 -6.580 6.026 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.942 -6.624 5.256 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.816 -5.619 6.686 1.00 0.00 H new ATOM 0 HG2 GLU A 22 11.665 -7.438 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.201 -7.928 7.148 1.00 0.00 H new ATOM 270 N TRP A 23 9.375 -3.566 5.337 1.00 0.00 N ATOM 271 CA TRP A 23 9.102 -2.195 5.755 1.00 0.00 C ATOM 272 C TRP A 23 7.637 -1.836 5.532 1.00 0.00 C ATOM 273 O TRP A 23 7.068 -1.028 6.267 1.00 0.00 O ATOM 274 CB TRP A 23 10.000 -1.221 4.992 1.00 0.00 C ATOM 275 CG TRP A 23 10.029 -1.472 3.515 1.00 0.00 C ATOM 276 CD1 TRP A 23 11.012 -2.103 2.810 1.00 0.00 C ATOM 277 CD2 TRP A 23 9.029 -1.097 2.562 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.685 -2.144 1.476 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.472 -1.532 1.299 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.801 -0.435 2.653 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.731 -1.328 0.137 1.00 0.00 C ATOM 282 CZ3 TRP A 23 7.066 -0.232 1.499 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.533 -0.678 0.256 1.00 0.00 C ATOM 0 H TRP A 23 9.304 -3.723 4.332 1.00 0.00 H new ATOM 0 HA TRP A 23 9.315 -2.118 6.821 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.656 -0.203 5.173 1.00 0.00 H new ATOM 0 HB3 TRP A 23 11.014 -1.290 5.385 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.916 -2.511 3.238 1.00 0.00 H new ATOM 0 HE1 TRP A 23 11.252 -2.562 0.738 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.433 -0.088 3.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 9.089 -1.670 -0.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.116 0.279 1.557 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.935 -0.505 -0.627 1.00 0.00 H new ATOM 294 N LEU A 24 7.031 -2.437 4.514 1.00 0.00 N ATOM 295 CA LEU A 24 5.632 -2.176 4.195 1.00 0.00 C ATOM 296 C LEU A 24 4.715 -2.683 5.303 1.00 0.00 C ATOM 297 O LEU A 24 4.721 -3.868 5.634 1.00 0.00 O ATOM 298 CB LEU A 24 5.256 -2.836 2.866 1.00 0.00 C ATOM 299 CG LEU A 24 3.810 -2.611 2.420 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.534 -1.126 2.238 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.527 -3.369 1.132 1.00 0.00 C ATOM 0 H LEU A 24 7.486 -3.108 3.896 1.00 0.00 H new ATOM 0 HA LEU A 24 5.503 -1.097 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.923 -2.461 2.090 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.433 -3.908 2.947 1.00 0.00 H new ATOM 0 HG LEU A 24 3.146 -2.991 3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.501 -0.984 1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.698 -0.607 3.182 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.205 -0.721 1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.494 -3.198 0.829 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.198 -3.018 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.686 -4.435 1.295 1.00 0.00 H new ATOM 313 N ARG A 25 3.928 -1.776 5.872 1.00 0.00 N ATOM 314 CA ARG A 25 3.002 -2.129 6.943 1.00 0.00 C ATOM 315 C ARG A 25 2.186 -0.916 7.377 1.00 0.00 C ATOM 316 O ARG A 25 2.501 0.217 7.012 1.00 0.00 O ATOM 317 CB ARG A 25 3.766 -2.699 8.140 1.00 0.00 C ATOM 318 CG ARG A 25 4.935 -1.836 8.586 1.00 0.00 C ATOM 319 CD ARG A 25 5.495 -2.307 9.918 1.00 0.00 C ATOM 320 NE ARG A 25 4.560 -2.073 11.017 1.00 0.00 N ATOM 321 CZ ARG A 25 4.548 -2.779 12.145 1.00 0.00 C ATOM 322 NH1 ARG A 25 5.423 -3.760 12.336 1.00 0.00 N ATOM 323 NH2 ARG A 25 3.659 -2.502 13.090 1.00 0.00 N ATOM 0 H ARG A 25 3.913 -0.790 5.610 1.00 0.00 H new ATOM 0 HA ARG A 25 2.318 -2.888 6.563 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.076 -2.821 8.975 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.136 -3.692 7.884 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.719 -1.864 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.612 -0.799 8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.726 -3.371 9.859 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.432 -1.788 10.122 1.00 0.00 H new ATOM 0 HE ARG A 25 3.876 -1.324 10.913 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.111 -3.977 11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.407 -4.296 13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.986 -1.749 12.952 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.649 -3.043 13.955 1.00 0.00 H new ATOM 337 N GLU A 26 1.137 -1.161 8.156 1.00 0.00 N ATOM 338 CA GLU A 26 0.273 -0.089 8.639 1.00 0.00 C ATOM 339 C GLU A 26 1.081 0.973 9.379 1.00 0.00 C ATOM 340 O GLU A 26 2.088 0.669 10.018 1.00 0.00 O ATOM 341 CB GLU A 26 -0.809 -0.655 9.558 1.00 0.00 C ATOM 342 CG GLU A 26 -1.724 -1.658 8.875 1.00 0.00 C ATOM 343 CD GLU A 26 -2.981 -1.939 9.675 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.365 -1.080 10.497 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.582 -3.016 9.479 1.00 0.00 O ATOM 0 H GLU A 26 0.864 -2.094 8.467 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.200 0.379 7.775 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.333 -1.134 10.414 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.410 0.167 9.947 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.001 -1.280 7.891 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.182 -2.590 8.718 1.00 0.00 H new ATOM 352 N GLY A 27 0.630 2.221 9.287 1.00 0.00 N ATOM 353 CA GLY A 27 1.323 3.309 9.952 1.00 0.00 C ATOM 354 C GLY A 27 2.699 3.563 9.371 1.00 0.00 C ATOM 355 O GLY A 27 3.601 4.022 10.071 1.00 0.00 O ATOM 0 H GLY A 27 -0.201 2.497 8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.726 4.217 9.873 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.417 3.080 11.014 1.00 0.00 H new ATOM 359 N GLU A 28 2.861 3.263 8.087 1.00 0.00 N ATOM 360 CA GLU A 28 4.138 3.460 7.411 1.00 0.00 C ATOM 361 C GLU A 28 3.950 4.223 6.103 1.00 0.00 C ATOM 362 O GLU A 28 3.039 3.932 5.329 1.00 0.00 O ATOM 363 CB GLU A 28 4.807 2.111 7.136 1.00 0.00 C ATOM 364 CG GLU A 28 6.288 2.220 6.817 1.00 0.00 C ATOM 365 CD GLU A 28 7.133 2.482 8.049 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.779 3.393 8.828 1.00 0.00 O ATOM 367 OE2 GLU A 28 8.147 1.776 8.235 1.00 0.00 O ATOM 0 H GLU A 28 2.124 2.882 7.493 1.00 0.00 H new ATOM 0 HA GLU A 28 4.780 4.050 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.678 1.467 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.299 1.626 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.622 1.298 6.341 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.443 3.024 6.097 1.00 0.00 H new ATOM 374 N PHE A 29 4.819 5.200 5.864 1.00 0.00 N ATOM 375 CA PHE A 29 4.749 6.006 4.649 1.00 0.00 C ATOM 376 C PHE A 29 5.244 5.213 3.443 1.00 0.00 C ATOM 377 O PHE A 29 6.280 4.552 3.504 1.00 0.00 O ATOM 378 CB PHE A 29 5.575 7.284 4.811 1.00 0.00 C ATOM 379 CG PHE A 29 4.747 8.496 5.130 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.631 8.809 4.368 1.00 0.00 C ATOM 381 CD2 PHE A 29 5.084 9.324 6.188 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.868 9.924 4.658 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.325 10.441 6.482 1.00 0.00 C ATOM 384 CZ PHE A 29 3.216 10.741 5.716 1.00 0.00 C ATOM 0 H PHE A 29 5.580 5.453 6.495 1.00 0.00 H new ATOM 0 HA PHE A 29 3.707 6.277 4.480 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.308 7.135 5.604 1.00 0.00 H new ATOM 0 HB3 PHE A 29 6.132 7.466 3.892 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.355 8.174 3.539 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.950 9.094 6.790 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.001 10.156 4.058 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.599 11.078 7.310 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.621 11.613 5.944 1.00 0.00 H new ATOM 394 N VAL A 30 4.496 5.285 2.347 1.00 0.00 N ATOM 395 CA VAL A 30 4.858 4.574 1.127 1.00 0.00 C ATOM 396 C VAL A 30 4.576 5.423 -0.108 1.00 0.00 C ATOM 397 O VAL A 30 3.999 6.507 -0.010 1.00 0.00 O ATOM 398 CB VAL A 30 4.094 3.243 1.004 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.601 2.240 2.030 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.599 3.468 1.162 1.00 0.00 C ATOM 0 H VAL A 30 3.636 5.829 2.279 1.00 0.00 H new ATOM 0 HA VAL A 30 5.926 4.367 1.188 1.00 0.00 H new ATOM 0 HB VAL A 30 4.273 2.833 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.050 1.305 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.662 2.055 1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.455 2.640 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.076 2.516 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.398 3.901 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.249 4.149 0.386 1.00 0.00 H new ATOM 410 N THR A 31 4.988 4.925 -1.270 1.00 0.00 N ATOM 411 CA THR A 31 4.779 5.639 -2.524 1.00 0.00 C ATOM 412 C THR A 31 4.324 4.687 -3.625 1.00 0.00 C ATOM 413 O THR A 31 4.456 3.469 -3.499 1.00 0.00 O ATOM 414 CB THR A 31 6.065 6.349 -2.951 1.00 0.00 C ATOM 415 OG1 THR A 31 5.889 7.002 -4.196 1.00 0.00 O ATOM 416 CG2 THR A 31 7.248 5.416 -3.085 1.00 0.00 C ATOM 0 H THR A 31 5.468 4.030 -1.369 1.00 0.00 H new ATOM 0 HA THR A 31 3.997 6.381 -2.363 1.00 0.00 H new ATOM 0 HB THR A 31 6.276 7.065 -2.157 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.722 7.451 -4.450 1.00 0.00 H new ATOM 0 HG21 THR A 31 8.127 5.984 -3.390 1.00 0.00 H new ATOM 0 HG22 THR A 31 7.442 4.935 -2.127 1.00 0.00 H new ATOM 0 HG23 THR A 31 7.029 4.656 -3.835 1.00 0.00 H new ATOM 424 N VAL A 32 3.786 5.249 -4.701 1.00 0.00 N ATOM 425 CA VAL A 32 3.310 4.450 -5.824 1.00 0.00 C ATOM 426 C VAL A 32 3.858 4.978 -7.145 1.00 0.00 C ATOM 427 O VAL A 32 4.330 4.212 -7.984 1.00 0.00 O ATOM 428 CB VAL A 32 1.771 4.434 -5.891 1.00 0.00 C ATOM 429 CG1 VAL A 32 1.291 3.441 -6.937 1.00 0.00 C ATOM 430 CG2 VAL A 32 1.180 4.111 -4.527 1.00 0.00 C ATOM 0 H VAL A 32 3.668 6.255 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 32 3.670 3.434 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 32 1.429 5.427 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.201 3.444 -6.969 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.684 3.723 -7.914 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.643 2.442 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.092 4.104 -4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.530 3.131 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.494 4.866 -3.806 1.00 0.00 H new ATOM 496 N THR A 37 1.178 9.539 -3.454 1.00 0.00 N ATOM 497 CA THR A 37 1.718 8.988 -2.216 1.00 0.00 C ATOM 498 C THR A 37 0.632 8.880 -1.150 1.00 0.00 C ATOM 499 O THR A 37 -0.234 9.748 -1.041 1.00 0.00 O ATOM 500 CB THR A 37 2.867 9.857 -1.704 1.00 0.00 C ATOM 501 OG1 THR A 37 2.426 11.183 -1.469 1.00 0.00 O ATOM 502 CG2 THR A 37 4.038 9.925 -2.661 1.00 0.00 C ATOM 0 HA THR A 37 2.096 7.988 -2.427 1.00 0.00 H new ATOM 0 HB THR A 37 3.200 9.382 -0.781 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.783 11.442 -2.162 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.818 10.557 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.433 8.922 -2.825 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.707 10.345 -3.611 1.00 0.00 H new ATOM 510 N GLY A 38 0.685 7.808 -0.366 1.00 0.00 N ATOM 511 CA GLY A 38 -0.300 7.607 0.682 1.00 0.00 C ATOM 512 C GLY A 38 0.210 6.712 1.794 1.00 0.00 C ATOM 513 O GLY A 38 1.037 5.830 1.561 1.00 0.00 O ATOM 0 H GLY A 38 1.391 7.076 -0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.584 8.573 1.099 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.200 7.169 0.251 1.00 0.00 H new ATOM 517 N VAL A 39 -0.284 6.939 3.006 1.00 0.00 N ATOM 518 CA VAL A 39 0.127 6.147 4.159 1.00 0.00 C ATOM 519 C VAL A 39 -0.600 4.806 4.191 1.00 0.00 C ATOM 520 O VAL A 39 -1.767 4.712 3.809 1.00 0.00 O ATOM 521 CB VAL A 39 -0.140 6.894 5.481 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.437 6.123 6.658 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.433 8.303 5.425 1.00 0.00 C ATOM 0 H VAL A 39 -0.969 7.665 3.215 1.00 0.00 H new ATOM 0 HA VAL A 39 1.199 5.976 4.058 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.218 6.970 5.621 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.238 6.667 7.582 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.026 5.138 6.710 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.513 6.011 6.527 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.235 8.814 6.367 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.509 8.252 5.260 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.034 8.853 4.608 1.00 0.00 H new ATOM 533 N VAL A 40 0.097 3.772 4.649 1.00 0.00 N ATOM 534 CA VAL A 40 -0.481 2.436 4.731 1.00 0.00 C ATOM 535 C VAL A 40 -1.464 2.336 5.893 1.00 0.00 C ATOM 536 O VAL A 40 -1.125 2.647 7.034 1.00 0.00 O ATOM 537 CB VAL A 40 0.608 1.360 4.901 1.00 0.00 C ATOM 538 CG1 VAL A 40 0.003 -0.033 4.816 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.704 1.537 3.860 1.00 0.00 C ATOM 0 H VAL A 40 1.063 3.834 4.969 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.008 2.261 3.793 1.00 0.00 H new ATOM 0 HB VAL A 40 1.055 1.477 5.888 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.788 -0.779 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.740 -0.156 5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.474 -0.164 3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.464 0.767 3.997 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.275 1.450 2.862 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.159 2.521 3.975 1.00 0.00 H new ATOM 549 N ARG A 41 -2.685 1.904 5.593 1.00 0.00 N ATOM 550 CA ARG A 41 -3.719 1.766 6.612 1.00 0.00 C ATOM 551 C ARG A 41 -4.148 0.310 6.762 1.00 0.00 C ATOM 552 O ARG A 41 -4.411 -0.160 7.869 1.00 0.00 O ATOM 553 CB ARG A 41 -4.929 2.631 6.259 1.00 0.00 C ATOM 554 CG ARG A 41 -4.584 4.093 6.028 1.00 0.00 C ATOM 555 CD ARG A 41 -4.194 4.784 7.325 1.00 0.00 C ATOM 556 NE ARG A 41 -5.275 5.615 7.849 1.00 0.00 N ATOM 557 CZ ARG A 41 -5.106 6.548 8.783 1.00 0.00 C ATOM 558 NH1 ARG A 41 -3.903 6.772 9.298 1.00 0.00 N ATOM 559 NH2 ARG A 41 -6.143 7.260 9.203 1.00 0.00 N ATOM 0 H ARG A 41 -2.982 1.644 4.653 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.303 2.102 7.562 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.402 2.232 5.362 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.662 2.562 7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.763 4.166 5.314 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.439 4.604 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.921 4.034 8.067 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -3.312 5.401 7.156 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.214 5.472 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.102 6.228 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.780 7.488 10.014 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.069 7.092 8.810 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.014 7.975 9.919 1.00 0.00 H new ATOM 573 N TYR A 42 -4.219 -0.400 5.640 1.00 0.00 N ATOM 574 CA TYR A 42 -4.620 -1.803 5.647 1.00 0.00 C ATOM 575 C TYR A 42 -3.571 -2.673 4.962 1.00 0.00 C ATOM 576 O TYR A 42 -3.047 -2.316 3.907 1.00 0.00 O ATOM 577 CB TYR A 42 -5.971 -1.970 4.949 1.00 0.00 C ATOM 578 CG TYR A 42 -6.673 -3.266 5.287 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.467 -3.372 6.423 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.543 -4.381 4.470 1.00 0.00 C ATOM 581 CE1 TYR A 42 -8.110 -4.555 6.734 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.184 -5.567 4.776 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.966 -5.649 5.907 1.00 0.00 C ATOM 584 OH TYR A 42 -8.606 -6.828 6.214 1.00 0.00 O ATOM 0 H TYR A 42 -4.004 -0.027 4.715 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.711 -2.124 6.685 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.617 -1.135 5.222 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.822 -1.918 3.871 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.583 -2.517 7.072 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.932 -4.321 3.582 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.723 -4.622 7.621 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -7.072 -6.426 4.131 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.402 -7.499 5.530 1.00 0.00 H new ATOM 594 N VAL A 43 -3.270 -3.816 5.569 1.00 0.00 N ATOM 595 CA VAL A 43 -2.283 -4.737 5.017 1.00 0.00 C ATOM 596 C VAL A 43 -2.670 -6.186 5.294 1.00 0.00 C ATOM 597 O VAL A 43 -2.709 -6.620 6.446 1.00 0.00 O ATOM 598 CB VAL A 43 -0.881 -4.473 5.596 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.165 -5.295 4.858 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.548 -2.990 5.531 1.00 0.00 C ATOM 0 H VAL A 43 -3.695 -4.127 6.443 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.260 -4.568 3.940 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.876 -4.778 6.643 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.150 -5.095 5.281 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.066 -6.355 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.162 -5.024 3.802 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.446 -2.822 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.571 -2.657 4.493 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.281 -2.427 6.109 1.00 0.00 H new ATOM 610 N GLY A 44 -2.956 -6.931 4.231 1.00 0.00 N ATOM 611 CA GLY A 44 -3.336 -8.323 4.379 1.00 0.00 C ATOM 612 C GLY A 44 -4.058 -8.862 3.158 1.00 0.00 C ATOM 613 O GLY A 44 -4.391 -8.103 2.248 1.00 0.00 O ATOM 0 H GLY A 44 -2.931 -6.594 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.444 -8.922 4.563 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -3.978 -8.430 5.253 1.00 0.00 H new ATOM 617 N PRO A 45 -4.317 -10.180 3.109 1.00 0.00 N ATOM 618 CA PRO A 45 -5.009 -10.807 1.979 1.00 0.00 C ATOM 619 C PRO A 45 -6.484 -10.424 1.918 1.00 0.00 C ATOM 620 O PRO A 45 -6.976 -9.675 2.761 1.00 0.00 O ATOM 621 CB PRO A 45 -4.856 -12.304 2.253 1.00 0.00 C ATOM 622 CG PRO A 45 -4.693 -12.403 3.730 1.00 0.00 C ATOM 623 CD PRO A 45 -3.957 -11.160 4.151 1.00 0.00 C ATOM 0 HA PRO A 45 -4.594 -10.492 1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.730 -12.860 1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.993 -12.716 1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.661 -12.470 4.226 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -4.134 -13.298 4.002 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.267 -10.826 5.141 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.880 -11.325 4.193 1.00 0.00 H new ATOM 631 N ALA A 46 -7.185 -10.944 0.917 1.00 0.00 N ATOM 632 CA ALA A 46 -8.604 -10.657 0.747 1.00 0.00 C ATOM 633 C ALA A 46 -9.392 -11.930 0.460 1.00 0.00 C ATOM 634 O ALA A 46 -8.813 -12.992 0.230 1.00 0.00 O ATOM 635 CB ALA A 46 -8.808 -9.645 -0.370 1.00 0.00 C ATOM 0 H ALA A 46 -6.793 -11.567 0.211 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.977 -10.233 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.872 -9.440 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.285 -8.721 -0.124 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.413 -10.048 -1.303 1.00 0.00 H new ATOM 641 N ASP A 47 -10.716 -11.817 0.475 1.00 0.00 N ATOM 642 CA ASP A 47 -11.584 -12.959 0.215 1.00 0.00 C ATOM 643 C ASP A 47 -11.915 -13.064 -1.270 1.00 0.00 C ATOM 644 O ASP A 47 -11.983 -14.159 -1.826 1.00 0.00 O ATOM 645 CB ASP A 47 -12.874 -12.842 1.031 1.00 0.00 C ATOM 646 CG ASP A 47 -13.634 -14.152 1.100 1.00 0.00 C ATOM 647 OD1 ASP A 47 -13.898 -14.743 0.032 1.00 0.00 O ATOM 648 OD2 ASP A 47 -13.965 -14.587 2.223 1.00 0.00 O ATOM 0 H ASP A 47 -11.211 -10.946 0.665 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.054 -13.863 0.515 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.633 -12.511 2.041 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.513 -12.077 0.589 1.00 0.00 H new ATOM 653 N PHE A 48 -12.121 -11.915 -1.908 1.00 0.00 N ATOM 654 CA PHE A 48 -12.444 -11.878 -3.329 1.00 0.00 C ATOM 655 C PHE A 48 -11.276 -12.386 -4.168 1.00 0.00 C ATOM 656 O PHE A 48 -11.472 -12.983 -5.226 1.00 0.00 O ATOM 657 CB PHE A 48 -12.811 -10.455 -3.754 1.00 0.00 C ATOM 658 CG PHE A 48 -11.755 -9.439 -3.419 1.00 0.00 C ATOM 659 CD1 PHE A 48 -10.621 -9.315 -4.205 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.899 -8.609 -2.319 1.00 0.00 C ATOM 661 CE1 PHE A 48 -9.649 -8.382 -3.900 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.930 -7.674 -2.009 1.00 0.00 C ATOM 663 CZ PHE A 48 -9.803 -7.561 -2.800 1.00 0.00 C ATOM 0 H PHE A 48 -12.070 -10.999 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.299 -12.532 -3.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -12.991 -10.440 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.745 -10.169 -3.271 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -10.495 -9.955 -5.066 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.778 -8.694 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.770 -8.295 -4.521 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.054 -7.032 -1.149 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.044 -6.832 -2.559 1.00 0.00 H new ATOM 673 N GLN A 49 -10.060 -12.145 -3.687 1.00 0.00 N ATOM 674 CA GLN A 49 -8.860 -12.579 -4.392 1.00 0.00 C ATOM 675 C GLN A 49 -8.027 -13.517 -3.525 1.00 0.00 C ATOM 676 O GLN A 49 -8.247 -13.622 -2.318 1.00 0.00 O ATOM 677 CB GLN A 49 -8.020 -11.369 -4.804 1.00 0.00 C ATOM 678 CG GLN A 49 -8.390 -10.807 -6.168 1.00 0.00 C ATOM 679 CD GLN A 49 -7.527 -11.367 -7.281 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.032 -11.957 -8.236 1.00 0.00 O ATOM 681 NE2 GLN A 49 -6.216 -11.184 -7.164 1.00 0.00 N ATOM 0 H GLN A 49 -9.880 -11.652 -2.812 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.171 -13.120 -5.286 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.134 -10.586 -4.055 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.968 -11.653 -4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.436 -11.030 -6.377 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.293 -9.722 -6.149 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.840 -10.689 -6.355 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.585 -11.539 -7.883 1.00 0.00 H new ATOM 690 N GLU A 50 -7.071 -14.198 -4.148 1.00 0.00 N ATOM 691 CA GLU A 50 -6.206 -15.129 -3.432 1.00 0.00 C ATOM 692 C GLU A 50 -4.798 -14.561 -3.284 1.00 0.00 C ATOM 693 O GLU A 50 -3.820 -15.307 -3.221 1.00 0.00 O ATOM 694 CB GLU A 50 -6.152 -16.471 -4.164 1.00 0.00 C ATOM 695 CG GLU A 50 -6.182 -17.672 -3.233 1.00 0.00 C ATOM 696 CD GLU A 50 -5.054 -17.652 -2.221 1.00 0.00 C ATOM 697 OE1 GLU A 50 -4.996 -16.701 -1.414 1.00 0.00 O ATOM 698 OE2 GLU A 50 -4.227 -18.589 -2.235 1.00 0.00 O ATOM 0 H GLU A 50 -6.876 -14.123 -5.146 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.623 -15.281 -2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.995 -16.534 -4.853 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.244 -16.511 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -7.137 -17.696 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.120 -18.586 -3.823 1.00 0.00 H new ATOM 705 N GLY A 51 -4.701 -13.237 -3.228 1.00 0.00 N ATOM 706 CA GLY A 51 -3.409 -12.591 -3.087 1.00 0.00 C ATOM 707 C GLY A 51 -3.355 -11.654 -1.896 1.00 0.00 C ATOM 708 O GLY A 51 -4.264 -11.641 -1.068 1.00 0.00 O ATOM 0 H GLY A 51 -5.495 -12.599 -3.278 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.636 -13.352 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.185 -12.032 -3.995 1.00 0.00 H new ATOM 712 N THR A 52 -2.286 -10.868 -1.812 1.00 0.00 N ATOM 713 CA THR A 52 -2.117 -9.923 -0.715 1.00 0.00 C ATOM 714 C THR A 52 -2.305 -8.489 -1.198 1.00 0.00 C ATOM 715 O THR A 52 -1.704 -8.073 -2.189 1.00 0.00 O ATOM 716 CB THR A 52 -0.733 -10.084 -0.086 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.395 -11.454 0.041 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.623 -9.456 1.287 1.00 0.00 C ATOM 0 H THR A 52 -1.524 -10.867 -2.491 1.00 0.00 H new ATOM 0 HA THR A 52 -2.878 -10.136 0.036 1.00 0.00 H new ATOM 0 HB THR A 52 -0.049 -9.569 -0.760 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.495 -11.535 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.384 -9.606 1.676 1.00 0.00 H new ATOM 0 HG22 THR A 52 -0.829 -8.388 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.345 -9.921 1.959 1.00 0.00 H new ATOM 726 N TRP A 53 -3.144 -7.737 -0.493 1.00 0.00 N ATOM 727 CA TRP A 53 -3.412 -6.348 -0.851 1.00 0.00 C ATOM 728 C TRP A 53 -3.001 -5.407 0.277 1.00 0.00 C ATOM 729 O TRP A 53 -2.915 -5.812 1.436 1.00 0.00 O ATOM 730 CB TRP A 53 -4.896 -6.161 -1.173 1.00 0.00 C ATOM 731 CG TRP A 53 -5.366 -7.007 -2.317 1.00 0.00 C ATOM 732 CD1 TRP A 53 -5.732 -8.322 -2.269 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.520 -6.597 -3.681 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.103 -8.754 -3.519 1.00 0.00 N ATOM 735 CE2 TRP A 53 -5.982 -7.713 -4.403 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.313 -5.394 -4.360 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.240 -7.661 -5.771 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.569 -5.343 -5.719 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.028 -6.470 -6.410 1.00 0.00 C ATOM 0 H TRP A 53 -3.650 -8.066 0.329 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.822 -6.105 -1.735 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.485 -6.400 -0.288 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.081 -5.112 -1.406 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -5.730 -8.933 -1.378 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.417 -9.696 -3.752 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.960 -4.520 -3.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.594 -8.529 -6.307 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.412 -4.419 -6.255 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.219 -6.398 -7.471 1.00 0.00 H new ATOM 750 N VAL A 54 -2.747 -4.150 -0.072 1.00 0.00 N ATOM 751 CA VAL A 54 -2.343 -3.152 0.911 1.00 0.00 C ATOM 752 C VAL A 54 -3.047 -1.821 0.664 1.00 0.00 C ATOM 753 O VAL A 54 -2.835 -1.177 -0.364 1.00 0.00 O ATOM 754 CB VAL A 54 -0.820 -2.923 0.889 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.396 -2.034 2.048 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.080 -4.252 0.928 1.00 0.00 C ATOM 0 H VAL A 54 -2.814 -3.799 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.631 -3.539 1.889 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.561 -2.416 -0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.683 -1.884 2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.899 -1.070 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.668 -2.510 2.990 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.995 -4.071 0.912 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.344 -4.789 1.839 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.360 -4.850 0.061 1.00 0.00 H new ATOM 766 N GLY A 55 -3.883 -1.414 1.614 1.00 0.00 N ATOM 767 CA GLY A 55 -4.604 -0.161 1.480 1.00 0.00 C ATOM 768 C GLY A 55 -3.703 1.045 1.658 1.00 0.00 C ATOM 769 O GLY A 55 -2.862 1.074 2.557 1.00 0.00 O ATOM 0 H GLY A 55 -4.074 -1.929 2.474 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.074 -0.118 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.405 -0.125 2.218 1.00 0.00 H new ATOM 773 N VAL A 56 -3.879 2.043 0.799 1.00 0.00 N ATOM 774 CA VAL A 56 -3.076 3.258 0.865 1.00 0.00 C ATOM 775 C VAL A 56 -3.959 4.497 0.962 1.00 0.00 C ATOM 776 O VAL A 56 -4.799 4.743 0.096 1.00 0.00 O ATOM 777 CB VAL A 56 -2.159 3.392 -0.366 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.181 4.542 -0.184 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.418 2.088 -0.623 1.00 0.00 C ATOM 0 H VAL A 56 -4.570 2.034 0.049 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.461 3.182 1.762 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.779 3.610 -1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.543 4.620 -1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.734 5.472 -0.053 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.565 4.360 0.696 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.775 2.201 -1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.809 1.838 0.246 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.138 1.290 -0.803 1.00 0.00 H new ATOM 789 N GLU A 57 -3.765 5.273 2.024 1.00 0.00 N ATOM 790 CA GLU A 57 -4.546 6.486 2.235 1.00 0.00 C ATOM 791 C GLU A 57 -3.930 7.667 1.490 1.00 0.00 C ATOM 792 O GLU A 57 -2.870 8.167 1.869 1.00 0.00 O ATOM 793 CB GLU A 57 -4.639 6.803 3.729 1.00 0.00 C ATOM 794 CG GLU A 57 -5.887 7.584 4.109 1.00 0.00 C ATOM 795 CD GLU A 57 -5.569 8.919 4.754 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.877 8.927 5.793 1.00 0.00 O ATOM 797 OE2 GLU A 57 -6.012 9.957 4.218 1.00 0.00 O ATOM 0 H GLU A 57 -3.075 5.083 2.751 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.549 6.316 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.619 5.870 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.759 7.373 4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.492 7.751 3.217 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.489 6.988 4.795 1.00 0.00 H new ATOM 804 N LEU A 58 -4.599 8.106 0.430 1.00 0.00 N ATOM 805 CA LEU A 58 -4.117 9.228 -0.366 1.00 0.00 C ATOM 806 C LEU A 58 -4.643 10.550 0.184 1.00 0.00 C ATOM 807 O LEU A 58 -5.788 10.638 0.628 1.00 0.00 O ATOM 808 CB LEU A 58 -4.542 9.066 -1.827 1.00 0.00 C ATOM 809 CG LEU A 58 -4.429 7.643 -2.380 1.00 0.00 C ATOM 810 CD1 LEU A 58 -5.271 7.492 -3.637 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.977 7.295 -2.664 1.00 0.00 C ATOM 0 H LEU A 58 -5.476 7.702 0.102 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.028 9.238 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.575 9.398 -1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.933 9.728 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.807 6.950 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.179 6.474 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.315 7.699 -3.402 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.923 8.195 -4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.916 6.280 -3.056 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.572 7.992 -3.398 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.400 7.363 -1.742 1.00 0.00 H new ATOM 823 N ASP A 59 -3.800 11.577 0.150 1.00 0.00 N ATOM 824 CA ASP A 59 -4.180 12.895 0.647 1.00 0.00 C ATOM 825 C ASP A 59 -5.147 13.580 -0.314 1.00 0.00 C ATOM 826 O ASP A 59 -5.997 14.366 0.101 1.00 0.00 O ATOM 827 CB ASP A 59 -2.939 13.765 0.848 1.00 0.00 C ATOM 828 CG ASP A 59 -3.040 14.640 2.082 1.00 0.00 C ATOM 829 OD1 ASP A 59 -4.176 14.972 2.483 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.984 14.992 2.649 1.00 0.00 O ATOM 0 H ASP A 59 -2.850 11.522 -0.216 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.681 12.764 1.606 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.060 13.126 0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.794 14.395 -0.030 1.00 0.00 H new ATOM 835 N LEU A 60 -5.009 13.276 -1.600 1.00 0.00 N ATOM 836 CA LEU A 60 -5.871 13.863 -2.621 1.00 0.00 C ATOM 837 C LEU A 60 -6.882 12.841 -3.132 1.00 0.00 C ATOM 838 O LEU A 60 -6.608 11.641 -3.155 1.00 0.00 O ATOM 839 CB LEU A 60 -5.030 14.392 -3.784 1.00 0.00 C ATOM 840 CG LEU A 60 -4.171 15.616 -3.458 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.134 15.845 -4.548 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.045 16.847 -3.283 1.00 0.00 C ATOM 0 H LEU A 60 -4.309 12.627 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.416 14.692 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.378 13.592 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.696 14.644 -4.609 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.647 15.431 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.532 16.719 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.488 14.970 -4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.638 16.010 -5.501 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.418 17.708 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.596 17.036 -4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.749 16.681 -2.467 1.00 0.00 H new ATOM 854 N PRO A 61 -8.072 13.306 -3.553 1.00 0.00 N ATOM 855 CA PRO A 61 -9.127 12.425 -4.066 1.00 0.00 C ATOM 856 C PRO A 61 -8.625 11.508 -5.177 1.00 0.00 C ATOM 857 O PRO A 61 -8.273 11.968 -6.263 1.00 0.00 O ATOM 858 CB PRO A 61 -10.173 13.400 -4.609 1.00 0.00 C ATOM 859 CG PRO A 61 -9.959 14.655 -3.838 1.00 0.00 C ATOM 860 CD PRO A 61 -8.482 14.722 -3.561 1.00 0.00 C ATOM 0 HA PRO A 61 -9.510 11.756 -3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.042 13.565 -5.678 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.183 13.016 -4.467 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.289 15.524 -4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.530 14.645 -2.910 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.955 15.289 -4.328 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.274 15.206 -2.607 1.00 0.00 H new ATOM 868 N SER A 62 -8.595 10.209 -4.897 1.00 0.00 N ATOM 869 CA SER A 62 -8.137 9.229 -5.875 1.00 0.00 C ATOM 870 C SER A 62 -8.429 7.809 -5.399 1.00 0.00 C ATOM 871 O SER A 62 -8.028 7.415 -4.305 1.00 0.00 O ATOM 872 CB SER A 62 -6.637 9.394 -6.130 1.00 0.00 C ATOM 873 OG SER A 62 -6.103 8.259 -6.789 1.00 0.00 O ATOM 0 H SER A 62 -8.882 9.811 -4.003 1.00 0.00 H new ATOM 0 HA SER A 62 -8.678 9.401 -6.805 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.464 10.284 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.119 9.546 -5.183 1.00 0.00 H new ATOM 0 HG SER A 62 -5.144 8.390 -6.941 1.00 0.00 H new ATOM 879 N GLY A 63 -9.132 7.044 -6.230 1.00 0.00 N ATOM 880 CA GLY A 63 -9.465 5.677 -5.876 1.00 0.00 C ATOM 881 C GLY A 63 -10.834 5.265 -6.381 1.00 0.00 C ATOM 882 O GLY A 63 -11.468 5.994 -7.145 1.00 0.00 O ATOM 0 H GLY A 63 -9.476 7.347 -7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.712 5.005 -6.287 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.433 5.567 -4.792 1.00 0.00 H new ATOM 886 N LYS A 64 -11.290 4.092 -5.953 1.00 0.00 N ATOM 887 CA LYS A 64 -12.594 3.581 -6.365 1.00 0.00 C ATOM 888 C LYS A 64 -13.432 3.191 -5.154 1.00 0.00 C ATOM 889 O LYS A 64 -14.617 3.515 -5.075 1.00 0.00 O ATOM 890 CB LYS A 64 -12.422 2.377 -7.292 1.00 0.00 C ATOM 891 CG LYS A 64 -13.477 2.291 -8.382 1.00 0.00 C ATOM 892 CD LYS A 64 -13.226 1.114 -9.310 1.00 0.00 C ATOM 893 CE LYS A 64 -12.497 1.545 -10.573 1.00 0.00 C ATOM 894 NZ LYS A 64 -12.639 0.544 -11.666 1.00 0.00 N ATOM 0 H LYS A 64 -10.777 3.477 -5.321 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.115 4.373 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -11.436 2.424 -7.755 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.451 1.464 -6.697 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.463 2.194 -7.928 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.482 3.216 -8.959 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.638 0.358 -8.789 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.176 0.651 -9.577 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -12.888 2.506 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.440 1.691 -10.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.128 0.875 -12.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -12.243 -0.366 -11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.646 0.423 -11.897 1.00 0.00 H new ATOM 908 N ASN A 65 -12.809 2.494 -4.211 1.00 0.00 N ATOM 909 CA ASN A 65 -13.498 2.059 -3.001 1.00 0.00 C ATOM 910 C ASN A 65 -13.348 3.090 -1.890 1.00 0.00 C ATOM 911 O ASN A 65 -12.250 3.586 -1.632 1.00 0.00 O ATOM 912 CB ASN A 65 -12.953 0.707 -2.537 1.00 0.00 C ATOM 913 CG ASN A 65 -11.440 0.695 -2.444 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.850 1.416 -1.639 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.803 -0.127 -3.270 1.00 0.00 N ATOM 0 H ASN A 65 -11.828 2.218 -4.260 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.558 1.955 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -13.376 0.463 -1.563 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -13.278 -0.070 -3.229 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.784 -0.179 -3.253 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -11.332 -0.707 -3.921 1.00 0.00 H new ATOM 922 N ASP A 66 -14.457 3.410 -1.232 1.00 0.00 N ATOM 923 CA ASP A 66 -14.449 4.384 -0.146 1.00 0.00 C ATOM 924 C ASP A 66 -14.221 3.700 1.199 1.00 0.00 C ATOM 925 O ASP A 66 -14.941 3.950 2.166 1.00 0.00 O ATOM 926 CB ASP A 66 -15.765 5.163 -0.121 1.00 0.00 C ATOM 927 CG ASP A 66 -16.977 4.252 -0.137 1.00 0.00 C ATOM 928 OD1 ASP A 66 -17.240 3.596 0.892 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.664 4.196 -1.179 1.00 0.00 O ATOM 0 H ASP A 66 -15.373 3.009 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.628 5.079 -0.322 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.796 5.789 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -15.805 5.831 -0.981 1.00 0.00 H new ATOM 934 N GLY A 67 -13.211 2.836 1.256 1.00 0.00 N ATOM 935 CA GLY A 67 -12.904 2.133 2.488 1.00 0.00 C ATOM 936 C GLY A 67 -13.541 0.757 2.551 1.00 0.00 C ATOM 937 O GLY A 67 -13.034 -0.136 3.228 1.00 0.00 O ATOM 0 H GLY A 67 -12.600 2.611 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.823 2.033 2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.247 2.727 3.335 1.00 0.00 H new ATOM 941 N SER A 68 -14.656 0.588 1.847 1.00 0.00 N ATOM 942 CA SER A 68 -15.362 -0.690 1.833 1.00 0.00 C ATOM 943 C SER A 68 -15.425 -1.266 0.421 1.00 0.00 C ATOM 944 O SER A 68 -15.415 -0.527 -0.563 1.00 0.00 O ATOM 945 CB SER A 68 -16.776 -0.519 2.390 1.00 0.00 C ATOM 946 OG SER A 68 -17.653 0.002 1.407 1.00 0.00 O ATOM 0 H SER A 68 -15.090 1.317 1.280 1.00 0.00 H new ATOM 0 HA SER A 68 -14.810 -1.387 2.464 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.150 -1.480 2.742 1.00 0.00 H new ATOM 0 HB3 SER A 68 -16.752 0.149 3.251 1.00 0.00 H new ATOM 0 HG SER A 68 -18.550 0.100 1.788 1.00 0.00 H new ATOM 952 N ILE A 69 -15.492 -2.590 0.334 1.00 0.00 N ATOM 953 CA ILE A 69 -15.559 -3.271 -0.955 1.00 0.00 C ATOM 954 C ILE A 69 -16.394 -4.543 -0.858 1.00 0.00 C ATOM 955 O ILE A 69 -15.988 -5.519 -0.227 1.00 0.00 O ATOM 956 CB ILE A 69 -14.153 -3.635 -1.472 1.00 0.00 C ATOM 957 CG1 ILE A 69 -13.220 -2.426 -1.376 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.229 -4.139 -2.906 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.797 -2.727 -1.794 1.00 0.00 C ATOM 0 H ILE A 69 -15.501 -3.214 1.141 1.00 0.00 H new ATOM 0 HA ILE A 69 -16.029 -2.580 -1.655 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.749 -4.432 -0.848 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.612 -1.624 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.219 -2.058 -0.350 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.228 -4.392 -3.256 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.862 -5.025 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.651 -3.362 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.192 -1.825 -1.701 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.387 -3.507 -1.153 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.786 -3.066 -2.830 1.00 0.00 H new ATOM 971 N GLY A 70 -17.566 -4.526 -1.486 1.00 0.00 N ATOM 972 CA GLY A 70 -18.441 -5.684 -1.457 1.00 0.00 C ATOM 973 C GLY A 70 -19.379 -5.684 -0.264 1.00 0.00 C ATOM 974 O GLY A 70 -20.339 -6.455 -0.223 1.00 0.00 O ATOM 0 H GLY A 70 -17.925 -3.731 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -19.028 -5.713 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.836 -6.590 -1.437 1.00 0.00 H new ATOM 978 N GLY A 71 -19.106 -4.821 0.711 1.00 0.00 N ATOM 979 CA GLY A 71 -19.942 -4.747 1.894 1.00 0.00 C ATOM 980 C GLY A 71 -19.131 -4.742 3.175 1.00 0.00 C ATOM 981 O GLY A 71 -19.573 -4.213 4.195 1.00 0.00 O ATOM 0 H GLY A 71 -18.320 -4.172 0.702 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -20.551 -3.844 1.849 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.628 -5.594 1.905 1.00 0.00 H new ATOM 985 N LYS A 72 -17.941 -5.331 3.120 1.00 0.00 N ATOM 986 CA LYS A 72 -17.063 -5.392 4.283 1.00 0.00 C ATOM 987 C LYS A 72 -16.243 -4.113 4.413 1.00 0.00 C ATOM 988 O LYS A 72 -15.906 -3.476 3.415 1.00 0.00 O ATOM 989 CB LYS A 72 -16.131 -6.603 4.183 1.00 0.00 C ATOM 990 CG LYS A 72 -15.476 -6.759 2.818 1.00 0.00 C ATOM 991 CD LYS A 72 -16.080 -7.916 2.036 1.00 0.00 C ATOM 992 CE LYS A 72 -15.013 -8.696 1.284 1.00 0.00 C ATOM 993 NZ LYS A 72 -15.586 -9.461 0.142 1.00 0.00 N ATOM 0 H LYS A 72 -17.562 -5.773 2.282 1.00 0.00 H new ATOM 0 HA LYS A 72 -17.685 -5.495 5.172 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.353 -6.516 4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -16.697 -7.506 4.410 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -15.592 -5.836 2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.406 -6.923 2.944 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.607 -8.583 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -16.818 -7.534 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.253 -8.008 0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -14.516 -9.383 1.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.827 -9.979 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.293 -10.136 0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -16.038 -8.803 -0.524 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.923 -3.742 5.649 1.00 0.00 N ATOM 1008 CA GLN A 73 -15.141 -2.538 5.908 1.00 0.00 C ATOM 1009 C GLN A 73 -13.681 -2.884 6.179 1.00 0.00 C ATOM 1010 O GLN A 73 -13.380 -3.895 6.815 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.725 -1.770 7.096 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.255 -0.327 7.176 1.00 0.00 C ATOM 1013 CD GLN A 73 -16.385 0.639 7.474 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.852 0.735 8.609 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.830 1.362 6.453 1.00 0.00 N ATOM 0 H GLN A 73 -16.193 -4.258 6.487 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.187 -1.908 5.020 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.813 -1.786 7.029 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.454 -2.283 8.019 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.493 -0.239 7.951 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.784 -0.049 6.233 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -16.413 1.250 5.529 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.588 2.030 6.593 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.777 -2.039 5.694 1.00 0.00 N ATOM 1025 CA TYR A 74 -11.348 -2.255 5.883 1.00 0.00 C ATOM 1026 C TYR A 74 -10.740 -1.147 6.738 1.00 0.00 C ATOM 1027 O TYR A 74 -10.255 -1.397 7.842 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.637 -2.320 4.530 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.962 -3.564 3.735 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -12.272 -3.864 3.384 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -9.959 -4.438 3.335 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -12.574 -5.000 2.657 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -10.253 -5.576 2.607 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.562 -5.852 2.271 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.859 -6.983 1.546 1.00 0.00 O ATOM 0 H TYR A 74 -13.010 -1.197 5.167 1.00 0.00 H new ATOM 0 HA TYR A 74 -11.214 -3.205 6.401 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.909 -1.443 3.943 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.560 -2.274 4.692 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -13.068 -3.198 3.684 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.933 -4.225 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.598 -5.219 2.393 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.462 -6.245 2.303 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.033 -7.474 1.353 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.768 0.076 6.221 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.220 1.222 6.938 1.00 0.00 C ATOM 1047 C PHE A 75 -11.202 2.389 6.930 1.00 0.00 C ATOM 1048 O PHE A 75 -11.689 2.796 5.875 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.891 1.653 6.317 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.940 1.780 4.821 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.908 0.652 4.016 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -9.017 3.026 4.220 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.952 0.766 2.639 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -9.061 3.146 2.844 1.00 0.00 C ATOM 1055 CZ PHE A 75 -9.030 2.014 2.053 1.00 0.00 C ATOM 0 H PHE A 75 -11.164 0.300 5.308 1.00 0.00 H new ATOM 0 HA PHE A 75 -10.048 0.923 7.972 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.593 2.610 6.745 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.122 0.930 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -8.848 -0.326 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.043 3.914 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.925 -0.120 2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.120 4.123 2.388 1.00 0.00 H new ATOM 0 HZ PHE A 75 -9.067 2.105 0.977 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.488 2.925 8.113 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.412 4.045 8.241 1.00 0.00 C ATOM 1067 C ARG A 76 -11.723 5.360 7.885 1.00 0.00 C ATOM 1068 O ARG A 76 -10.894 5.863 8.644 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.969 4.112 9.666 1.00 0.00 C ATOM 1070 CG ARG A 76 -14.477 3.930 9.739 1.00 0.00 C ATOM 1071 CD ARG A 76 -15.174 5.212 10.165 1.00 0.00 C ATOM 1072 NE ARG A 76 -16.603 5.010 10.390 1.00 0.00 N ATOM 1073 CZ ARG A 76 -17.104 4.374 11.447 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -16.297 3.878 12.376 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -18.417 4.235 11.575 1.00 0.00 N ATOM 0 H ARG A 76 -11.093 2.601 8.996 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.236 3.889 7.545 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -12.489 3.343 10.271 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.706 5.074 10.105 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -14.854 3.616 8.766 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -14.715 3.134 10.445 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -14.713 5.589 11.078 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -15.032 5.974 9.398 1.00 0.00 H new ATOM 0 HE ARG A 76 -17.255 5.378 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -15.287 3.983 12.283 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -16.687 3.392 13.183 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -19.042 4.615 10.864 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.802 3.748 12.384 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.072 5.910 6.726 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.487 7.166 6.270 1.00 0.00 C ATOM 1091 C CYS A 77 -12.476 7.949 5.413 1.00 0.00 C ATOM 1092 O CYS A 77 -13.608 7.514 5.199 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.207 6.897 5.476 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.715 6.798 6.493 1.00 0.00 S ATOM 0 H CYS A 77 -12.756 5.506 6.086 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.244 7.764 7.148 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -10.322 5.962 4.927 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.078 7.687 4.736 1.00 0.00 H new ATOM 0 HG CYS A 77 -9.031 6.402 7.690 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.042 9.105 4.925 1.00 0.00 N ATOM 1101 CA ASN A 78 -12.888 9.950 4.089 1.00 0.00 C ATOM 1102 C ASN A 78 -13.268 9.232 2.797 1.00 0.00 C ATOM 1103 O ASN A 78 -12.501 8.419 2.281 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.174 11.264 3.767 1.00 0.00 C ATOM 1105 CG ASN A 78 -12.554 12.379 4.721 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -13.728 12.559 5.047 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -11.561 13.135 5.174 1.00 0.00 N ATOM 0 H ASN A 78 -11.108 9.479 5.094 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.801 10.168 4.643 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.096 11.107 3.807 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.415 11.565 2.747 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.756 13.901 5.819 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -10.603 12.950 4.877 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.463 9.525 2.254 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.939 8.903 1.015 1.00 0.00 C ATOM 1116 C PRO A 79 -14.174 9.393 -0.210 1.00 0.00 C ATOM 1117 O PRO A 79 -14.050 10.596 -0.436 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.404 9.338 0.941 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.456 10.616 1.702 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.440 10.484 2.803 1.00 0.00 C ATOM 0 HA PRO A 79 -14.801 7.822 1.022 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.724 9.478 -0.091 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -17.063 8.588 1.380 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.225 11.464 1.057 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.452 10.788 2.109 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.975 11.442 3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.891 10.115 3.724 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.665 8.452 -0.998 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.919 8.807 -2.191 1.00 0.00 C ATOM 1130 C GLY A 80 -11.497 9.235 -1.881 1.00 0.00 C ATOM 1131 O GLY A 80 -10.894 10.000 -2.633 1.00 0.00 O ATOM 0 H GLY A 80 -13.756 7.450 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.899 7.955 -2.870 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.433 9.616 -2.710 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.960 8.739 -0.771 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.599 9.073 -0.364 1.00 0.00 C ATOM 1137 C TYR A 81 -8.829 7.822 0.042 1.00 0.00 C ATOM 1138 O TYR A 81 -7.937 7.877 0.889 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.622 10.070 0.797 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.857 11.500 0.365 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -11.098 11.909 -0.108 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.837 12.442 0.429 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.315 13.215 -0.504 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -9.047 13.750 0.036 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.288 14.131 -0.429 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.501 15.432 -0.821 1.00 0.00 O ATOM 0 H TYR A 81 -11.446 8.105 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 81 -9.094 9.528 -1.216 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.403 9.779 1.499 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.674 10.013 1.333 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.906 11.195 -0.167 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.864 12.147 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.285 13.517 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.244 14.470 0.093 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.676 15.948 -0.704 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.179 6.694 -0.568 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.509 5.445 -0.257 1.00 0.00 C ATOM 1158 C GLY A 82 -8.547 4.463 -1.412 1.00 0.00 C ATOM 1159 O GLY A 82 -9.494 4.456 -2.198 1.00 0.00 O ATOM 0 H GLY A 82 -9.914 6.623 -1.272 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.472 5.649 0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -8.978 4.992 0.616 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.514 3.633 -1.515 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.433 2.643 -2.582 1.00 0.00 C ATOM 1165 C LEU A 83 -6.565 1.460 -2.162 1.00 0.00 C ATOM 1166 O LEU A 83 -5.496 1.638 -1.578 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.869 3.278 -3.855 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.757 2.335 -5.054 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -8.118 1.755 -5.405 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -6.159 3.061 -6.249 1.00 0.00 C ATOM 0 H LEU A 83 -6.722 3.627 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.441 2.279 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.501 4.121 -4.133 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.880 3.680 -3.635 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.093 1.513 -4.785 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -8.019 1.087 -6.260 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.507 1.198 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.805 2.564 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -6.087 2.375 -7.093 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.796 3.903 -6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.165 3.426 -5.992 1.00 0.00 H new ATOM 1182 N LEU A 84 -7.034 0.254 -2.463 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.303 -0.958 -2.118 1.00 0.00 C ATOM 1184 C LEU A 84 -5.515 -1.479 -3.316 1.00 0.00 C ATOM 1185 O LEU A 84 -6.094 -1.899 -4.317 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.267 -2.036 -1.618 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.500 -2.047 -0.106 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.939 -2.422 0.211 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.535 -3.007 0.572 1.00 0.00 C ATOM 0 H LEU A 84 -7.918 0.090 -2.945 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.599 -0.713 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.227 -1.903 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.884 -3.011 -1.918 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.316 -1.044 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.085 -2.424 1.291 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.613 -1.696 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.152 -3.414 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.713 -3.003 1.647 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.689 -4.013 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.510 -2.693 0.373 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.191 -1.448 -3.205 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.323 -1.917 -4.279 1.00 0.00 C ATOM 1203 C VAL A 85 -2.423 -3.051 -3.803 1.00 0.00 C ATOM 1204 O VAL A 85 -2.316 -3.311 -2.605 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.446 -0.778 -4.831 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.300 0.260 -5.548 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.639 -0.137 -3.711 1.00 0.00 C ATOM 0 H VAL A 85 -3.696 -1.103 -2.383 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.973 -2.282 -5.074 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.749 -1.199 -5.555 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.661 1.056 -5.930 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.827 -0.212 -6.377 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.024 0.680 -4.850 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.025 0.666 -4.119 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.317 0.270 -2.961 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.996 -0.887 -3.250 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.776 -3.723 -4.750 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.883 -4.830 -4.426 1.00 0.00 C ATOM 1219 C ARG A 86 0.466 -4.315 -3.931 1.00 0.00 C ATOM 1220 O ARG A 86 0.919 -3.246 -4.340 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.682 -5.726 -5.650 1.00 0.00 C ATOM 1222 CG ARG A 86 -1.969 -6.342 -6.170 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.300 -7.636 -5.442 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.900 -8.627 -6.332 1.00 0.00 N ATOM 1225 CZ ARG A 86 -2.209 -9.344 -7.215 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -0.896 -9.185 -7.328 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -2.833 -10.223 -7.987 1.00 0.00 N ATOM 0 H ARG A 86 -1.853 -3.521 -5.747 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.343 -5.414 -3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.221 -5.141 -6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.016 -6.524 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.788 -5.634 -6.047 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.875 -6.538 -7.238 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.391 -8.047 -5.002 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.985 -7.425 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.907 -8.778 -6.273 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.411 -8.510 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.372 -9.737 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.842 -10.349 -7.904 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.304 -10.773 -8.664 1.00 0.00 H new ATOM 1241 N PRO A 87 1.129 -5.073 -3.041 1.00 0.00 N ATOM 1242 CA PRO A 87 2.433 -4.686 -2.492 1.00 0.00 C ATOM 1243 C PRO A 87 3.442 -4.351 -3.583 1.00 0.00 C ATOM 1244 O PRO A 87 4.267 -3.450 -3.426 1.00 0.00 O ATOM 1245 CB PRO A 87 2.877 -5.929 -1.717 1.00 0.00 C ATOM 1246 CG PRO A 87 1.610 -6.631 -1.366 1.00 0.00 C ATOM 1247 CD PRO A 87 0.661 -6.363 -2.501 1.00 0.00 C ATOM 0 HA PRO A 87 2.366 -3.787 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.525 -6.562 -2.323 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.440 -5.658 -0.824 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.778 -7.701 -1.242 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.206 -6.260 -0.424 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.701 -7.151 -3.253 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.371 -6.303 -2.156 1.00 0.00 H new ATOM 1255 N SER A 88 3.368 -5.082 -4.689 1.00 0.00 N ATOM 1256 CA SER A 88 4.272 -4.867 -5.813 1.00 0.00 C ATOM 1257 C SER A 88 4.186 -3.429 -6.315 1.00 0.00 C ATOM 1258 O SER A 88 5.167 -2.873 -6.809 1.00 0.00 O ATOM 1259 CB SER A 88 3.944 -5.836 -6.950 1.00 0.00 C ATOM 1260 OG SER A 88 4.638 -7.061 -6.793 1.00 0.00 O ATOM 0 H SER A 88 2.690 -5.830 -4.832 1.00 0.00 H new ATOM 0 HA SER A 88 5.289 -5.052 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.870 -6.023 -6.974 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.210 -5.384 -7.905 1.00 0.00 H new ATOM 0 HG SER A 88 4.410 -7.663 -7.532 1.00 0.00 H new ATOM 1266 N ARG A 89 3.005 -2.832 -6.185 1.00 0.00 N ATOM 1267 CA ARG A 89 2.790 -1.459 -6.625 1.00 0.00 C ATOM 1268 C ARG A 89 3.281 -0.465 -5.576 1.00 0.00 C ATOM 1269 O ARG A 89 3.649 0.663 -5.901 1.00 0.00 O ATOM 1270 CB ARG A 89 1.307 -1.222 -6.914 1.00 0.00 C ATOM 1271 CG ARG A 89 0.796 -1.978 -8.130 1.00 0.00 C ATOM 1272 CD ARG A 89 0.649 -1.065 -9.336 1.00 0.00 C ATOM 1273 NE ARG A 89 -0.285 -1.605 -10.322 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.741 -0.919 -11.367 1.00 0.00 C ATOM 1275 NH1 ARG A 89 -0.352 0.335 -11.566 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -1.587 -1.485 -12.214 1.00 0.00 N ATOM 0 H ARG A 89 2.183 -3.278 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 89 3.362 -1.304 -7.540 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.724 -1.517 -6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.140 -0.155 -7.063 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.483 -2.790 -8.369 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.167 -2.433 -7.898 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.303 -0.085 -9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 89 1.624 -0.920 -9.802 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.607 -2.565 -10.202 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.299 0.776 -10.916 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -0.704 0.857 -12.368 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.890 -2.448 -12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.936 -0.958 -13.015 1.00 0.00 H new ATOM 1290 N VAL A 90 3.283 -0.891 -4.316 1.00 0.00 N ATOM 1291 CA VAL A 90 3.728 -0.035 -3.222 1.00 0.00 C ATOM 1292 C VAL A 90 5.245 0.109 -3.219 1.00 0.00 C ATOM 1293 O VAL A 90 5.965 -0.776 -3.682 1.00 0.00 O ATOM 1294 CB VAL A 90 3.273 -0.586 -1.858 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.568 0.416 -0.752 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.794 -0.937 -1.888 1.00 0.00 C ATOM 0 H VAL A 90 2.982 -1.822 -4.028 1.00 0.00 H new ATOM 0 HA VAL A 90 3.274 0.943 -3.380 1.00 0.00 H new ATOM 0 HB VAL A 90 3.834 -1.497 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.240 0.009 0.204 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.640 0.611 -0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.036 1.346 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.492 -1.325 -0.915 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.213 -0.044 -2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.615 -1.694 -2.651 1.00 0.00 H new ATOM 1306 N ARG A 91 5.725 1.231 -2.692 1.00 0.00 N ATOM 1307 CA ARG A 91 7.158 1.493 -2.627 1.00 0.00 C ATOM 1308 C ARG A 91 7.520 2.214 -1.333 1.00 0.00 C ATOM 1309 O ARG A 91 6.654 2.499 -0.506 1.00 0.00 O ATOM 1310 CB ARG A 91 7.600 2.328 -3.831 1.00 0.00 C ATOM 1311 CG ARG A 91 8.126 1.494 -4.989 1.00 0.00 C ATOM 1312 CD ARG A 91 9.092 2.289 -5.852 1.00 0.00 C ATOM 1313 NE ARG A 91 9.961 1.420 -6.644 1.00 0.00 N ATOM 1314 CZ ARG A 91 11.035 0.805 -6.157 1.00 0.00 C ATOM 1315 NH1 ARG A 91 11.377 0.958 -4.884 1.00 0.00 N ATOM 1316 NH2 ARG A 91 11.770 0.033 -6.946 1.00 0.00 N ATOM 0 H ARG A 91 5.143 1.973 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 91 7.679 0.536 -2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.757 2.925 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.376 3.025 -3.514 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.627 0.607 -4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.291 1.148 -5.599 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.529 2.943 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.703 2.930 -5.216 1.00 0.00 H new ATOM 0 HE ARG A 91 9.730 1.277 -7.627 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.815 1.550 -4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.202 0.483 -4.517 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.511 -0.089 -7.925 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.594 -0.439 -6.574 1.00 0.00 H new ATOM 1330 N ARG A 92 8.806 2.506 -1.164 1.00 0.00 N ATOM 1331 CA ARG A 92 9.283 3.194 0.031 1.00 0.00 C ATOM 1332 C ARG A 92 9.337 4.701 -0.195 1.00 0.00 C ATOM 1333 O ARG A 92 9.675 5.164 -1.284 1.00 0.00 O ATOM 1334 CB ARG A 92 10.666 2.673 0.426 1.00 0.00 C ATOM 1335 CG ARG A 92 10.630 1.632 1.533 1.00 0.00 C ATOM 1336 CD ARG A 92 10.420 2.272 2.894 1.00 0.00 C ATOM 1337 NE ARG A 92 11.516 3.168 3.254 1.00 0.00 N ATOM 1338 CZ ARG A 92 11.429 4.109 4.191 1.00 0.00 C ATOM 1339 NH1 ARG A 92 10.299 4.280 4.866 1.00 0.00 N ATOM 1340 NH2 ARG A 92 12.475 4.880 4.455 1.00 0.00 N ATOM 0 H ARG A 92 9.536 2.277 -1.839 1.00 0.00 H new ATOM 0 HA ARG A 92 8.583 2.993 0.842 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.147 2.241 -0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.283 3.512 0.747 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.829 0.919 1.338 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.563 1.069 1.535 1.00 0.00 H new ATOM 0 HD2 ARG A 92 9.483 2.829 2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.326 1.493 3.650 1.00 0.00 H new ATOM 0 HE ARG A 92 12.401 3.066 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 92 9.492 3.689 4.668 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.238 5.003 5.583 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.346 4.752 3.940 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.409 5.601 5.173 1.00 0.00 H new ATOM 1354 N ALA A 93 8.999 5.462 0.842 1.00 0.00 N ATOM 1355 CA ALA A 93 9.009 6.918 0.756 1.00 0.00 C ATOM 1356 C ALA A 93 9.888 7.525 1.845 1.00 0.00 C ATOM 1357 O ALA A 93 10.241 6.856 2.816 1.00 0.00 O ATOM 1358 CB ALA A 93 7.592 7.461 0.855 1.00 0.00 C ATOM 0 H ALA A 93 8.715 5.095 1.750 1.00 0.00 H new ATOM 0 HA ALA A 93 9.427 7.199 -0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.614 8.549 0.789 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.991 7.060 0.039 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.154 7.164 1.808 1.00 0.00 H new