USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 678 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 41 CYS SG : rot -150:sc= -0.0702 USER MOD Set 1.2: A 90 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 157:sc= 0.607 USER MOD Single : A 28 ASN : amide:sc= -0.964 X(o=-0.96,f=-0.64) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.195 USER MOD Single : A 44 SER OG : rot -78:sc= 1.03 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -175:sc= 0 (180deg=-0.0629) USER MOD Single : A 53 LYS NZ :NH3+ -162:sc= -0.0039 (180deg=-0.103) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot -83:sc= 0.324 USER MOD Single : A 64 HIS : no HD1:sc= -0.0445 X(o=-0.044,f=-0.47) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.0532 K(o=0.053,f=-1.6!) USER MOD Single : A 73 CYS SG : rot 41:sc= 0.389 USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 88 TYR OH : rot -25:sc= 1.24 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 92 CYS SG : rot 100:sc= -2.15! USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot -120:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl -178:sc=-0.00567 (180deg=-0.00939) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl 178:sc= 0 (180deg=-0.0198) USER MOD ----------------------------------------------------------------- ATOM 258 N ILE A 20 -2.821 17.553 -3.492 1.00 0.00 N ATOM 259 CA ILE A 20 -1.899 16.471 -3.814 1.00 0.00 C ATOM 260 C ILE A 20 -2.584 15.397 -4.653 1.00 0.00 C ATOM 261 O ILE A 20 -3.616 14.851 -4.260 1.00 0.00 O ATOM 262 CB ILE A 20 -1.324 15.824 -2.541 1.00 0.00 C ATOM 263 CG1 ILE A 20 -0.600 16.871 -1.692 1.00 0.00 C ATOM 264 CG2 ILE A 20 -0.382 14.686 -2.905 1.00 0.00 C ATOM 265 CD1 ILE A 20 -0.151 16.351 -0.344 1.00 0.00 C ATOM 0 HA ILE A 20 -1.083 16.911 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.147 15.415 -1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.269 17.234 -2.240 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.261 17.725 -1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 20 0.017 14.238 -1.995 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.926 13.931 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.439 15.072 -3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.354 17.147 0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -1.019 16.015 0.224 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.535 15.516 -0.486 1.00 0.00 H new ATOM 277 N LYS A 21 -2.002 15.096 -5.808 1.00 0.00 N ATOM 278 CA LYS A 21 -2.553 14.084 -6.702 1.00 0.00 C ATOM 279 C LYS A 21 -1.520 13.003 -7.003 1.00 0.00 C ATOM 280 O LYS A 21 -0.448 12.969 -6.397 1.00 0.00 O ATOM 281 CB LYS A 21 -3.025 14.730 -8.007 1.00 0.00 C ATOM 282 CG LYS A 21 -1.903 15.356 -8.817 1.00 0.00 C ATOM 283 CD LYS A 21 -2.078 15.099 -10.304 1.00 0.00 C ATOM 284 CE LYS A 21 -1.407 16.179 -11.139 1.00 0.00 C ATOM 285 NZ LYS A 21 -0.083 15.737 -11.657 1.00 0.00 N ATOM 0 H LYS A 21 -1.148 15.539 -6.148 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.404 13.620 -6.204 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.524 13.976 -8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.766 15.495 -7.776 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -1.876 16.430 -8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.946 14.952 -8.487 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.656 14.127 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -3.140 15.059 -10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.053 16.446 -11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.279 17.078 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.342 16.501 -12.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.543 15.507 -10.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.207 14.894 -12.254 1.00 0.00 H new ATOM 299 N PHE A 22 -1.848 12.122 -7.942 1.00 0.00 N ATOM 300 CA PHE A 22 -0.948 11.039 -8.323 1.00 0.00 C ATOM 301 C PHE A 22 -0.354 11.287 -9.706 1.00 0.00 C ATOM 302 O PHE A 22 -1.080 11.512 -10.676 1.00 0.00 O ATOM 303 CB PHE A 22 -1.690 9.701 -8.306 1.00 0.00 C ATOM 304 CG PHE A 22 -1.511 8.932 -7.029 1.00 0.00 C ATOM 305 CD1 PHE A 22 -2.349 9.153 -5.948 1.00 0.00 C ATOM 306 CD2 PHE A 22 -0.505 7.986 -6.909 1.00 0.00 C ATOM 307 CE1 PHE A 22 -2.185 8.447 -4.771 1.00 0.00 C ATOM 308 CE2 PHE A 22 -0.337 7.277 -5.735 1.00 0.00 C ATOM 309 CZ PHE A 22 -1.179 7.507 -4.665 1.00 0.00 C ATOM 0 H PHE A 22 -2.730 12.136 -8.453 1.00 0.00 H new ATOM 0 HA PHE A 22 -0.134 11.004 -7.599 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.753 9.882 -8.466 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.342 9.091 -9.140 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.139 9.885 -6.026 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.155 7.801 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -2.843 8.630 -3.935 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.452 6.544 -5.654 1.00 0.00 H new ATOM 0 HZ PHE A 22 -1.051 6.953 -3.747 1.00 0.00 H new ATOM 319 N THR A 23 0.972 11.246 -9.790 1.00 0.00 N ATOM 320 CA THR A 23 1.665 11.468 -11.053 1.00 0.00 C ATOM 321 C THR A 23 1.745 10.183 -11.869 1.00 0.00 C ATOM 322 O THR A 23 1.546 10.196 -13.083 1.00 0.00 O ATOM 323 CB THR A 23 3.090 12.008 -10.824 1.00 0.00 C ATOM 324 OG1 THR A 23 3.814 11.126 -9.959 1.00 0.00 O ATOM 325 CG2 THR A 23 3.050 13.402 -10.219 1.00 0.00 C ATOM 0 H THR A 23 1.588 11.061 -8.998 1.00 0.00 H new ATOM 0 HA THR A 23 1.088 12.210 -11.605 1.00 0.00 H new ATOM 0 HB THR A 23 3.594 12.064 -11.789 1.00 0.00 H new ATOM 0 HG1 THR A 23 4.776 11.242 -10.105 1.00 0.00 H new ATOM 0 HG21 THR A 23 4.068 13.762 -10.067 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.524 14.077 -10.894 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.530 13.368 -9.262 1.00 0.00 H new ATOM 333 N GLU A 24 2.038 9.076 -11.194 1.00 0.00 N ATOM 334 CA GLU A 24 2.144 7.783 -11.859 1.00 0.00 C ATOM 335 C GLU A 24 1.562 6.673 -10.987 1.00 0.00 C ATOM 336 O GLU A 24 2.292 5.967 -10.293 1.00 0.00 O ATOM 337 CB GLU A 24 3.605 7.473 -12.190 1.00 0.00 C ATOM 338 CG GLU A 24 3.977 7.763 -13.634 1.00 0.00 C ATOM 339 CD GLU A 24 4.861 6.689 -14.237 1.00 0.00 C ATOM 340 OE1 GLU A 24 4.598 5.494 -13.983 1.00 0.00 O ATOM 341 OE2 GLU A 24 5.815 7.041 -14.961 1.00 0.00 O ATOM 0 H GLU A 24 2.206 9.049 -10.188 1.00 0.00 H new ATOM 0 HA GLU A 24 1.572 7.832 -12.785 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.249 8.058 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.802 6.422 -11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.068 7.855 -14.228 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.491 8.723 -13.687 1.00 0.00 H new ATOM 348 N GLY A 25 0.241 6.527 -11.029 1.00 0.00 N ATOM 349 CA GLY A 25 -0.418 5.504 -10.238 1.00 0.00 C ATOM 350 C GLY A 25 0.179 4.128 -10.459 1.00 0.00 C ATOM 351 O GLY A 25 0.933 3.915 -11.409 1.00 0.00 O ATOM 0 H GLY A 25 -0.384 7.099 -11.597 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.346 5.763 -9.182 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.478 5.481 -10.489 1.00 0.00 H new ATOM 355 N LEU A 26 -0.157 3.191 -9.579 1.00 0.00 N ATOM 356 CA LEU A 26 0.352 1.828 -9.681 1.00 0.00 C ATOM 357 C LEU A 26 0.066 1.241 -11.059 1.00 0.00 C ATOM 358 O LEU A 26 -0.796 1.734 -11.787 1.00 0.00 O ATOM 359 CB LEU A 26 -0.274 0.947 -8.598 1.00 0.00 C ATOM 360 CG LEU A 26 -0.056 1.400 -7.155 1.00 0.00 C ATOM 361 CD1 LEU A 26 -1.125 0.816 -6.244 1.00 0.00 C ATOM 362 CD2 LEU A 26 1.332 1.001 -6.674 1.00 0.00 C ATOM 0 H LEU A 26 -0.780 3.350 -8.787 1.00 0.00 H new ATOM 0 HA LEU A 26 1.432 1.858 -9.537 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.347 0.888 -8.781 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.123 -0.062 -8.705 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.133 2.487 -7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.953 1.150 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.108 1.152 -6.575 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.081 -0.272 -6.283 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.469 1.332 -5.645 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.437 -0.083 -6.724 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.085 1.468 -7.309 1.00 0.00 H new ATOM 374 N ARG A 27 0.792 0.185 -11.410 1.00 0.00 N ATOM 375 CA ARG A 27 0.615 -0.470 -12.700 1.00 0.00 C ATOM 376 C ARG A 27 0.481 -1.980 -12.530 1.00 0.00 C ATOM 377 O ARG A 27 1.026 -2.559 -11.591 1.00 0.00 O ATOM 378 CB ARG A 27 1.793 -0.152 -13.623 1.00 0.00 C ATOM 379 CG ARG A 27 3.149 -0.444 -13.002 1.00 0.00 C ATOM 380 CD ARG A 27 4.035 0.792 -12.993 1.00 0.00 C ATOM 381 NE ARG A 27 5.454 0.448 -13.031 1.00 0.00 N ATOM 382 CZ ARG A 27 6.107 -0.094 -12.009 1.00 0.00 C ATOM 383 NH1 ARG A 27 5.471 -0.352 -10.874 1.00 0.00 N ATOM 384 NH2 ARG A 27 7.398 -0.378 -12.120 1.00 0.00 N ATOM 0 H ARG A 27 1.509 -0.235 -10.819 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.303 -0.090 -13.149 1.00 0.00 H new ATOM 0 HB2 ARG A 27 1.691 -0.731 -14.541 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.750 0.900 -13.903 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.014 -0.803 -11.982 1.00 0.00 H new ATOM 0 HG3 ARG A 27 3.641 -1.242 -13.558 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.791 1.419 -13.850 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.828 1.380 -12.099 1.00 0.00 H new ATOM 0 HE ARG A 27 5.972 0.634 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.479 -0.134 -10.785 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.974 -0.768 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.891 -0.180 -12.991 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.898 -0.794 -11.334 1.00 0.00 H new ATOM 398 N ASN A 28 -0.248 -2.611 -13.444 1.00 0.00 N ATOM 399 CA ASN A 28 -0.455 -4.054 -13.394 1.00 0.00 C ATOM 400 C ASN A 28 0.879 -4.794 -13.358 1.00 0.00 C ATOM 401 O ASN A 28 1.561 -4.913 -14.375 1.00 0.00 O ATOM 402 CB ASN A 28 -1.273 -4.515 -14.602 1.00 0.00 C ATOM 403 CG ASN A 28 -0.791 -3.894 -15.898 1.00 0.00 C ATOM 404 OD1 ASN A 28 0.078 -4.442 -16.576 1.00 0.00 O ATOM 405 ND2 ASN A 28 -1.355 -2.744 -16.249 1.00 0.00 N ATOM 0 H ASN A 28 -0.705 -2.146 -14.228 1.00 0.00 H new ATOM 0 HA ASN A 28 -1.004 -4.286 -12.481 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.219 -5.601 -14.681 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.321 -4.258 -14.447 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.071 -2.279 -17.111 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.072 -2.326 -15.656 1.00 0.00 H new ATOM 412 N GLU A 29 1.243 -5.289 -12.179 1.00 0.00 N ATOM 413 CA GLU A 29 2.496 -6.016 -12.011 1.00 0.00 C ATOM 414 C GLU A 29 2.250 -7.522 -11.973 1.00 0.00 C ATOM 415 O GLU A 29 1.113 -7.971 -11.827 1.00 0.00 O ATOM 416 CB GLU A 29 3.201 -5.571 -10.728 1.00 0.00 C ATOM 417 CG GLU A 29 4.700 -5.385 -10.891 1.00 0.00 C ATOM 418 CD GLU A 29 5.048 -4.321 -11.913 1.00 0.00 C ATOM 419 OE1 GLU A 29 4.435 -3.234 -11.872 1.00 0.00 O ATOM 420 OE2 GLU A 29 5.935 -4.576 -12.756 1.00 0.00 O ATOM 0 H GLU A 29 0.689 -5.200 -11.327 1.00 0.00 H new ATOM 0 HA GLU A 29 3.135 -5.791 -12.865 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.762 -4.633 -10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.018 -6.310 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.136 -5.116 -9.929 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.149 -6.332 -11.190 1.00 0.00 H new ATOM 427 N GLU A 30 3.323 -8.295 -12.107 1.00 0.00 N ATOM 428 CA GLU A 30 3.223 -9.749 -12.089 1.00 0.00 C ATOM 429 C GLU A 30 4.493 -10.375 -11.520 1.00 0.00 C ATOM 430 O GLU A 30 5.587 -10.171 -12.045 1.00 0.00 O ATOM 431 CB GLU A 30 2.967 -10.282 -13.501 1.00 0.00 C ATOM 432 CG GLU A 30 2.677 -11.773 -13.546 1.00 0.00 C ATOM 433 CD GLU A 30 1.835 -12.168 -14.743 1.00 0.00 C ATOM 434 OE1 GLU A 30 1.870 -11.441 -15.758 1.00 0.00 O ATOM 435 OE2 GLU A 30 1.142 -13.203 -14.666 1.00 0.00 O ATOM 0 H GLU A 30 4.271 -7.939 -12.229 1.00 0.00 H new ATOM 0 HA GLU A 30 2.385 -10.022 -11.447 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.125 -9.743 -13.936 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.837 -10.071 -14.123 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.618 -12.322 -13.572 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.162 -12.067 -12.631 1.00 0.00 H new ATOM 442 N ALA A 31 4.338 -11.138 -10.443 1.00 0.00 N ATOM 443 CA ALA A 31 5.471 -11.795 -9.803 1.00 0.00 C ATOM 444 C ALA A 31 5.335 -13.313 -9.870 1.00 0.00 C ATOM 445 O ALA A 31 4.288 -13.837 -10.252 1.00 0.00 O ATOM 446 CB ALA A 31 5.599 -11.338 -8.358 1.00 0.00 C ATOM 0 H ALA A 31 3.439 -11.316 -9.995 1.00 0.00 H new ATOM 0 HA ALA A 31 6.375 -11.513 -10.343 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.449 -11.837 -7.893 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.751 -10.259 -8.330 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.688 -11.590 -7.815 1.00 0.00 H new ATOM 452 N THR A 32 6.400 -14.015 -9.496 1.00 0.00 N ATOM 453 CA THR A 32 6.400 -15.472 -9.515 1.00 0.00 C ATOM 454 C THR A 32 6.325 -16.040 -8.103 1.00 0.00 C ATOM 455 O THR A 32 6.842 -15.446 -7.157 1.00 0.00 O ATOM 456 CB THR A 32 7.657 -16.025 -10.213 1.00 0.00 C ATOM 457 OG1 THR A 32 7.822 -15.400 -11.491 1.00 0.00 O ATOM 458 CG2 THR A 32 7.560 -17.533 -10.388 1.00 0.00 C ATOM 0 H THR A 32 7.274 -13.597 -9.176 1.00 0.00 H new ATOM 0 HA THR A 32 5.517 -15.781 -10.075 1.00 0.00 H new ATOM 0 HB THR A 32 8.521 -15.804 -9.587 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.624 -15.755 -11.928 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.459 -17.900 -10.883 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.464 -18.007 -9.411 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.687 -17.773 -10.995 1.00 0.00 H new ATOM 466 N GLU A 33 5.679 -17.195 -7.967 1.00 0.00 N ATOM 467 CA GLU A 33 5.538 -17.842 -6.669 1.00 0.00 C ATOM 468 C GLU A 33 6.903 -18.095 -6.035 1.00 0.00 C ATOM 469 O GLU A 33 7.880 -18.373 -6.729 1.00 0.00 O ATOM 470 CB GLU A 33 4.778 -19.163 -6.812 1.00 0.00 C ATOM 471 CG GLU A 33 3.620 -19.308 -5.839 1.00 0.00 C ATOM 472 CD GLU A 33 3.322 -20.755 -5.498 1.00 0.00 C ATOM 473 OE1 GLU A 33 3.924 -21.649 -6.130 1.00 0.00 O ATOM 474 OE2 GLU A 33 2.488 -20.994 -4.601 1.00 0.00 O ATOM 0 H GLU A 33 5.246 -17.700 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 33 4.973 -17.174 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.398 -19.245 -7.830 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.472 -19.990 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.849 -18.763 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.730 -18.849 -6.269 1.00 0.00 H new ATOM 481 N GLY A 34 6.962 -17.995 -4.710 1.00 0.00 N ATOM 482 CA GLY A 34 8.211 -18.215 -4.005 1.00 0.00 C ATOM 483 C GLY A 34 9.245 -17.149 -4.311 1.00 0.00 C ATOM 484 O GLY A 34 10.441 -17.360 -4.111 1.00 0.00 O ATOM 0 H GLY A 34 6.167 -17.766 -4.113 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.020 -18.235 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.610 -19.192 -4.276 1.00 0.00 H new ATOM 488 N ALA A 35 8.784 -16.002 -4.799 1.00 0.00 N ATOM 489 CA ALA A 35 9.677 -14.900 -5.133 1.00 0.00 C ATOM 490 C ALA A 35 9.390 -13.679 -4.266 1.00 0.00 C ATOM 491 O ALA A 35 8.632 -13.755 -3.298 1.00 0.00 O ATOM 492 CB ALA A 35 9.549 -14.545 -6.607 1.00 0.00 C ATOM 0 H ALA A 35 7.797 -15.812 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 35 10.700 -15.221 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.222 -13.720 -6.842 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.811 -15.412 -7.214 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.522 -14.248 -6.822 1.00 0.00 H new ATOM 498 N THR A 36 10.002 -12.552 -4.618 1.00 0.00 N ATOM 499 CA THR A 36 9.814 -11.315 -3.871 1.00 0.00 C ATOM 500 C THR A 36 9.177 -10.238 -4.742 1.00 0.00 C ATOM 501 O THR A 36 9.797 -9.739 -5.681 1.00 0.00 O ATOM 502 CB THR A 36 11.149 -10.786 -3.314 1.00 0.00 C ATOM 503 OG1 THR A 36 11.817 -11.818 -2.581 1.00 0.00 O ATOM 504 CG2 THR A 36 10.921 -9.583 -2.412 1.00 0.00 C ATOM 0 H THR A 36 10.632 -12.471 -5.416 1.00 0.00 H new ATOM 0 HA THR A 36 9.149 -11.546 -3.039 1.00 0.00 H new ATOM 0 HB THR A 36 11.771 -10.477 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 36 12.666 -11.474 -2.232 1.00 0.00 H new ATOM 0 HG21 THR A 36 11.878 -9.227 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 36 10.439 -8.788 -2.981 1.00 0.00 H new ATOM 0 HG23 THR A 36 10.282 -9.870 -1.577 1.00 0.00 H new ATOM 512 N ALA A 37 7.936 -9.884 -4.425 1.00 0.00 N ATOM 513 CA ALA A 37 7.217 -8.863 -5.177 1.00 0.00 C ATOM 514 C ALA A 37 7.311 -7.505 -4.490 1.00 0.00 C ATOM 515 O ALA A 37 7.121 -7.397 -3.279 1.00 0.00 O ATOM 516 CB ALA A 37 5.761 -9.267 -5.355 1.00 0.00 C ATOM 0 H ALA A 37 7.408 -10.289 -3.652 1.00 0.00 H new ATOM 0 HA ALA A 37 7.682 -8.776 -6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.236 -8.496 -5.918 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.709 -10.211 -5.897 1.00 0.00 H new ATOM 0 HB3 ALA A 37 5.294 -9.384 -4.377 1.00 0.00 H new ATOM 522 N VAL A 38 7.607 -6.471 -5.271 1.00 0.00 N ATOM 523 CA VAL A 38 7.727 -5.120 -4.738 1.00 0.00 C ATOM 524 C VAL A 38 7.158 -4.093 -5.711 1.00 0.00 C ATOM 525 O VAL A 38 7.569 -4.026 -6.870 1.00 0.00 O ATOM 526 CB VAL A 38 9.194 -4.764 -4.433 1.00 0.00 C ATOM 527 CG1 VAL A 38 10.055 -4.938 -5.675 1.00 0.00 C ATOM 528 CG2 VAL A 38 9.298 -3.345 -3.896 1.00 0.00 C ATOM 0 H VAL A 38 7.768 -6.544 -6.276 1.00 0.00 H new ATOM 0 HA VAL A 38 7.155 -5.094 -3.811 1.00 0.00 H new ATOM 0 HB VAL A 38 9.563 -5.445 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.088 -4.682 -5.440 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.005 -5.974 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.690 -4.283 -6.466 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.342 -3.111 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.911 -2.646 -4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 38 8.715 -3.260 -2.979 1.00 0.00 H new ATOM 538 N LEU A 39 6.212 -3.293 -5.232 1.00 0.00 N ATOM 539 CA LEU A 39 5.586 -2.268 -6.059 1.00 0.00 C ATOM 540 C LEU A 39 6.194 -0.897 -5.779 1.00 0.00 C ATOM 541 O LEU A 39 6.757 -0.663 -4.710 1.00 0.00 O ATOM 542 CB LEU A 39 4.078 -2.230 -5.806 1.00 0.00 C ATOM 543 CG LEU A 39 3.288 -3.453 -6.275 1.00 0.00 C ATOM 544 CD1 LEU A 39 2.269 -3.865 -5.225 1.00 0.00 C ATOM 545 CD2 LEU A 39 2.602 -3.167 -7.603 1.00 0.00 C ATOM 0 H LEU A 39 5.862 -3.335 -4.275 1.00 0.00 H new ATOM 0 HA LEU A 39 5.766 -2.520 -7.104 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.912 -2.104 -4.736 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.669 -1.348 -6.298 1.00 0.00 H new ATOM 0 HG LEU A 39 3.985 -4.279 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 39 1.717 -4.737 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.783 -4.111 -4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.575 -3.043 -5.049 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.045 -4.048 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.917 -2.327 -7.485 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.352 -2.921 -8.354 1.00 0.00 H new ATOM 557 N ARG A 40 6.073 0.007 -6.746 1.00 0.00 N ATOM 558 CA ARG A 40 6.610 1.355 -6.604 1.00 0.00 C ATOM 559 C ARG A 40 5.783 2.357 -7.404 1.00 0.00 C ATOM 560 O ARG A 40 5.333 2.061 -8.512 1.00 0.00 O ATOM 561 CB ARG A 40 8.068 1.397 -7.064 1.00 0.00 C ATOM 562 CG ARG A 40 8.963 0.400 -6.347 1.00 0.00 C ATOM 563 CD ARG A 40 10.395 0.471 -6.854 1.00 0.00 C ATOM 564 NE ARG A 40 11.353 0.004 -5.855 1.00 0.00 N ATOM 565 CZ ARG A 40 11.781 0.749 -4.842 1.00 0.00 C ATOM 566 NH1 ARG A 40 11.338 1.990 -4.695 1.00 0.00 N ATOM 567 NH2 ARG A 40 12.654 0.253 -3.974 1.00 0.00 N ATOM 0 H ARG A 40 5.608 -0.170 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 40 6.561 1.630 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 40 8.107 1.202 -8.136 1.00 0.00 H new ATOM 0 HB3 ARG A 40 8.460 2.402 -6.908 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.945 0.599 -5.275 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.575 -0.608 -6.491 1.00 0.00 H new ATOM 0 HD2 ARG A 40 10.490 -0.132 -7.757 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.631 1.499 -7.130 1.00 0.00 H new ATOM 0 HE ARG A 40 11.713 -0.947 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 40 10.667 2.374 -5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 40 11.668 2.560 -3.916 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.997 -0.701 -4.084 1.00 0.00 H new ATOM 0 HH22 ARG A 40 12.982 0.826 -3.197 1.00 0.00 H new ATOM 581 N CYS A 41 5.587 3.541 -6.836 1.00 0.00 N ATOM 582 CA CYS A 41 4.813 4.587 -7.496 1.00 0.00 C ATOM 583 C CYS A 41 5.354 5.969 -7.143 1.00 0.00 C ATOM 584 O CYS A 41 6.095 6.126 -6.173 1.00 0.00 O ATOM 585 CB CYS A 41 3.339 4.486 -7.101 1.00 0.00 C ATOM 586 SG CYS A 41 3.060 4.367 -5.319 1.00 0.00 S ATOM 0 H CYS A 41 5.953 3.801 -5.920 1.00 0.00 H new ATOM 0 HA CYS A 41 4.903 4.446 -8.573 1.00 0.00 H new ATOM 0 HB2 CYS A 41 2.811 5.359 -7.483 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.903 3.612 -7.586 1.00 0.00 H new ATOM 0 HG CYS A 41 1.977 3.684 -5.094 1.00 0.00 H new ATOM 592 N GLU A 42 4.978 6.966 -7.937 1.00 0.00 N ATOM 593 CA GLU A 42 5.427 8.335 -7.708 1.00 0.00 C ATOM 594 C GLU A 42 4.257 9.234 -7.321 1.00 0.00 C ATOM 595 O GLU A 42 3.123 9.017 -7.750 1.00 0.00 O ATOM 596 CB GLU A 42 6.116 8.885 -8.959 1.00 0.00 C ATOM 597 CG GLU A 42 6.845 10.197 -8.725 1.00 0.00 C ATOM 598 CD GLU A 42 7.368 10.811 -10.009 1.00 0.00 C ATOM 599 OE1 GLU A 42 8.502 10.474 -10.408 1.00 0.00 O ATOM 600 OE2 GLU A 42 6.643 11.628 -10.614 1.00 0.00 O ATOM 0 H GLU A 42 4.364 6.852 -8.744 1.00 0.00 H new ATOM 0 HA GLU A 42 6.141 8.323 -6.884 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.826 8.145 -9.327 1.00 0.00 H new ATOM 0 HB3 GLU A 42 5.370 9.028 -9.741 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.170 10.901 -8.238 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.677 10.029 -8.042 1.00 0.00 H new ATOM 607 N LEU A 43 4.540 10.245 -6.506 1.00 0.00 N ATOM 608 CA LEU A 43 3.512 11.178 -6.059 1.00 0.00 C ATOM 609 C LEU A 43 3.866 12.608 -6.454 1.00 0.00 C ATOM 610 O LEU A 43 5.014 12.905 -6.785 1.00 0.00 O ATOM 611 CB LEU A 43 3.335 11.085 -4.543 1.00 0.00 C ATOM 612 CG LEU A 43 2.264 10.110 -4.051 1.00 0.00 C ATOM 613 CD1 LEU A 43 2.396 9.883 -2.553 1.00 0.00 C ATOM 614 CD2 LEU A 43 0.874 10.628 -4.392 1.00 0.00 C ATOM 0 H LEU A 43 5.473 10.439 -6.142 1.00 0.00 H new ATOM 0 HA LEU A 43 2.575 10.907 -6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 43 4.290 10.797 -4.103 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.096 12.078 -4.164 1.00 0.00 H new ATOM 0 HG LEU A 43 2.409 9.156 -4.557 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.626 9.187 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.380 9.468 -2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.277 10.832 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.125 9.922 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.719 11.595 -3.914 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.782 10.739 -5.472 1.00 0.00 H new ATOM 626 N SER A 44 2.873 13.491 -6.415 1.00 0.00 N ATOM 627 CA SER A 44 3.079 14.890 -6.770 1.00 0.00 C ATOM 628 C SER A 44 3.697 15.660 -5.608 1.00 0.00 C ATOM 629 O SER A 44 4.426 16.632 -5.809 1.00 0.00 O ATOM 630 CB SER A 44 1.753 15.535 -7.177 1.00 0.00 C ATOM 631 OG SER A 44 0.841 15.555 -6.092 1.00 0.00 O ATOM 0 H SER A 44 1.918 13.262 -6.141 1.00 0.00 H new ATOM 0 HA SER A 44 3.767 14.928 -7.614 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.932 16.552 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.318 14.985 -8.011 1.00 0.00 H new ATOM 0 HG SER A 44 0.444 14.666 -5.982 1.00 0.00 H new ATOM 637 N LYS A 45 3.401 15.219 -4.390 1.00 0.00 N ATOM 638 CA LYS A 45 3.927 15.864 -3.193 1.00 0.00 C ATOM 639 C LYS A 45 3.985 14.883 -2.027 1.00 0.00 C ATOM 640 O LYS A 45 3.148 13.987 -1.915 1.00 0.00 O ATOM 641 CB LYS A 45 3.062 17.070 -2.816 1.00 0.00 C ATOM 642 CG LYS A 45 3.845 18.366 -2.697 1.00 0.00 C ATOM 643 CD LYS A 45 3.341 19.218 -1.545 1.00 0.00 C ATOM 644 CE LYS A 45 4.039 18.861 -0.241 1.00 0.00 C ATOM 645 NZ LYS A 45 3.922 19.951 0.767 1.00 0.00 N ATOM 0 H LYS A 45 2.799 14.417 -4.206 1.00 0.00 H new ATOM 0 HA LYS A 45 4.940 16.204 -3.410 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.281 17.195 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.564 16.867 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.901 18.142 -2.550 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.765 18.927 -3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.506 20.272 -1.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.266 19.081 -1.433 1.00 0.00 H new ATOM 0 HE2 LYS A 45 3.608 17.945 0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.092 18.658 -0.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.410 19.669 1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.356 20.819 0.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 2.918 20.127 0.973 1.00 0.00 H new ATOM 659 N MET A 46 4.977 15.058 -1.160 1.00 0.00 N ATOM 660 CA MET A 46 5.142 14.189 -0.001 1.00 0.00 C ATOM 661 C MET A 46 3.881 14.183 0.858 1.00 0.00 C ATOM 662 O MET A 46 3.310 15.234 1.144 1.00 0.00 O ATOM 663 CB MET A 46 6.341 14.640 0.835 1.00 0.00 C ATOM 664 CG MET A 46 6.667 13.702 1.986 1.00 0.00 C ATOM 665 SD MET A 46 7.091 14.582 3.502 1.00 0.00 S ATOM 666 CE MET A 46 8.542 15.489 2.972 1.00 0.00 C ATOM 0 H MET A 46 5.679 15.794 -1.238 1.00 0.00 H new ATOM 0 HA MET A 46 5.320 13.175 -0.360 1.00 0.00 H new ATOM 0 HB2 MET A 46 7.214 14.724 0.188 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.142 15.635 1.233 1.00 0.00 H new ATOM 0 HG2 MET A 46 5.811 13.054 2.174 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.498 13.058 1.700 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.974 16.014 3.824 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.276 14.795 2.563 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.260 16.211 2.206 1.00 0.00 H new ATOM 676 N ALA A 47 3.454 12.993 1.265 1.00 0.00 N ATOM 677 CA ALA A 47 2.262 12.851 2.092 1.00 0.00 C ATOM 678 C ALA A 47 2.067 11.404 2.531 1.00 0.00 C ATOM 679 O ALA A 47 2.611 10.471 1.939 1.00 0.00 O ATOM 680 CB ALA A 47 1.035 13.345 1.339 1.00 0.00 C ATOM 0 H ALA A 47 3.916 12.113 1.036 1.00 0.00 H new ATOM 0 HA ALA A 47 2.396 13.460 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.152 13.233 1.969 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.165 14.396 1.080 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.907 12.760 0.428 1.00 0.00 H new ATOM 686 N PRO A 48 1.275 11.209 3.596 1.00 0.00 N ATOM 687 CA PRO A 48 0.991 9.877 4.138 1.00 0.00 C ATOM 688 C PRO A 48 0.111 9.048 3.209 1.00 0.00 C ATOM 689 O PRO A 48 -0.945 9.502 2.768 1.00 0.00 O ATOM 690 CB PRO A 48 0.253 10.177 5.446 1.00 0.00 C ATOM 691 CG PRO A 48 -0.358 11.519 5.237 1.00 0.00 C ATOM 692 CD PRO A 48 0.594 12.274 4.351 1.00 0.00 C ATOM 0 HA PRO A 48 1.899 9.288 4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -0.507 9.424 5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 48 0.937 10.181 6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -1.340 11.433 4.771 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -0.500 12.035 6.186 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.067 12.962 3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 48 1.299 12.868 4.933 1.00 0.00 H new ATOM 700 N VAL A 49 0.554 7.829 2.914 1.00 0.00 N ATOM 701 CA VAL A 49 -0.194 6.936 2.038 1.00 0.00 C ATOM 702 C VAL A 49 -0.594 5.658 2.768 1.00 0.00 C ATOM 703 O VAL A 49 0.035 5.272 3.752 1.00 0.00 O ATOM 704 CB VAL A 49 0.622 6.565 0.786 1.00 0.00 C ATOM 705 CG1 VAL A 49 0.973 7.811 -0.012 1.00 0.00 C ATOM 706 CG2 VAL A 49 1.878 5.800 1.176 1.00 0.00 C ATOM 0 H VAL A 49 1.427 7.438 3.269 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.092 7.472 1.731 1.00 0.00 H new ATOM 0 HB VAL A 49 0.012 5.919 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.550 7.529 -0.893 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.057 8.314 -0.324 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.564 8.485 0.608 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.443 5.546 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.493 6.419 1.829 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.599 4.886 1.700 1.00 0.00 H new ATOM 716 N GLU A 50 -1.644 5.007 2.277 1.00 0.00 N ATOM 717 CA GLU A 50 -2.127 3.772 2.884 1.00 0.00 C ATOM 718 C GLU A 50 -2.350 2.696 1.824 1.00 0.00 C ATOM 719 O GLU A 50 -2.987 2.941 0.800 1.00 0.00 O ATOM 720 CB GLU A 50 -3.428 4.028 3.647 1.00 0.00 C ATOM 721 CG GLU A 50 -3.217 4.361 5.115 1.00 0.00 C ATOM 722 CD GLU A 50 -3.529 3.192 6.029 1.00 0.00 C ATOM 723 OE1 GLU A 50 -2.650 2.322 6.200 1.00 0.00 O ATOM 724 OE2 GLU A 50 -4.653 3.146 6.572 1.00 0.00 O ATOM 0 H GLU A 50 -2.176 5.313 1.462 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.368 3.419 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.964 4.849 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.064 3.146 3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -2.183 4.671 5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.848 5.208 5.386 1.00 0.00 H new ATOM 731 N TRP A 51 -1.819 1.506 2.079 1.00 0.00 N ATOM 732 CA TRP A 51 -1.958 0.392 1.147 1.00 0.00 C ATOM 733 C TRP A 51 -3.126 -0.505 1.542 1.00 0.00 C ATOM 734 O TRP A 51 -3.105 -1.136 2.599 1.00 0.00 O ATOM 735 CB TRP A 51 -0.666 -0.424 1.098 1.00 0.00 C ATOM 736 CG TRP A 51 0.508 0.352 0.581 1.00 0.00 C ATOM 737 CD1 TRP A 51 1.255 1.264 1.270 1.00 0.00 C ATOM 738 CD2 TRP A 51 1.066 0.285 -0.736 1.00 0.00 C ATOM 739 NE1 TRP A 51 2.245 1.768 0.460 1.00 0.00 N ATOM 740 CE2 TRP A 51 2.150 1.183 -0.775 1.00 0.00 C ATOM 741 CE3 TRP A 51 0.756 -0.447 -1.885 1.00 0.00 C ATOM 742 CZ2 TRP A 51 2.924 1.367 -1.918 1.00 0.00 C ATOM 743 CZ3 TRP A 51 1.524 -0.263 -3.019 1.00 0.00 C ATOM 744 CH2 TRP A 51 2.598 0.637 -3.029 1.00 0.00 C ATOM 0 H TRP A 51 -1.289 1.287 2.922 1.00 0.00 H new ATOM 0 HA TRP A 51 -2.157 0.802 0.157 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -0.438 -0.790 2.099 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -0.821 -1.299 0.466 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.092 1.548 2.299 1.00 0.00 H new ATOM 0 HE1 TRP A 51 2.938 2.465 0.734 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.069 -1.144 -1.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 3.752 2.061 -1.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.292 -0.823 -3.913 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.180 0.757 -3.931 1.00 0.00 H new ATOM 755 N TRP A 52 -4.141 -0.557 0.688 1.00 0.00 N ATOM 756 CA TRP A 52 -5.318 -1.379 0.949 1.00 0.00 C ATOM 757 C TRP A 52 -5.402 -2.539 -0.036 1.00 0.00 C ATOM 758 O TRP A 52 -5.022 -2.407 -1.200 1.00 0.00 O ATOM 759 CB TRP A 52 -6.587 -0.529 0.865 1.00 0.00 C ATOM 760 CG TRP A 52 -6.720 0.453 1.989 1.00 0.00 C ATOM 761 CD1 TRP A 52 -5.968 1.576 2.190 1.00 0.00 C ATOM 762 CD2 TRP A 52 -7.660 0.400 3.068 1.00 0.00 C ATOM 763 NE1 TRP A 52 -6.385 2.223 3.328 1.00 0.00 N ATOM 764 CE2 TRP A 52 -7.421 1.522 3.885 1.00 0.00 C ATOM 765 CE3 TRP A 52 -8.681 -0.486 3.422 1.00 0.00 C ATOM 766 CZ2 TRP A 52 -8.166 1.779 5.033 1.00 0.00 C ATOM 767 CZ3 TRP A 52 -9.419 -0.230 4.562 1.00 0.00 C ATOM 768 CH2 TRP A 52 -9.160 0.895 5.356 1.00 0.00 C ATOM 0 H TRP A 52 -4.174 -0.040 -0.191 1.00 0.00 H new ATOM 0 HA TRP A 52 -5.229 -1.788 1.955 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -6.592 0.011 -0.082 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.456 -1.186 0.862 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.164 1.906 1.549 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.987 3.086 3.698 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.890 -1.355 2.816 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -7.967 2.645 5.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.209 -0.909 4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -9.756 1.068 6.240 1.00 0.00 H new ATOM 779 N LYS A 53 -5.902 -3.676 0.436 1.00 0.00 N ATOM 780 CA LYS A 53 -6.038 -4.860 -0.404 1.00 0.00 C ATOM 781 C LYS A 53 -7.347 -5.586 -0.114 1.00 0.00 C ATOM 782 O LYS A 53 -7.447 -6.345 0.849 1.00 0.00 O ATOM 783 CB LYS A 53 -4.857 -5.807 -0.180 1.00 0.00 C ATOM 784 CG LYS A 53 -4.756 -6.910 -1.219 1.00 0.00 C ATOM 785 CD LYS A 53 -3.633 -7.880 -0.896 1.00 0.00 C ATOM 786 CE LYS A 53 -4.103 -9.325 -0.975 1.00 0.00 C ATOM 787 NZ LYS A 53 -5.073 -9.651 0.107 1.00 0.00 N ATOM 0 H LYS A 53 -6.220 -3.803 1.397 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.045 -4.537 -1.445 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.933 -5.229 -0.185 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.946 -6.258 0.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.701 -7.450 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.587 -6.471 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.807 -7.727 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.250 -7.675 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.567 -9.504 -1.945 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.243 -9.991 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.138 -10.683 0.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.751 -9.228 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.009 -9.270 -0.139 1.00 0.00 H new ATOM 801 N GLY A 54 -8.350 -5.348 -0.955 1.00 0.00 N ATOM 802 CA GLY A 54 -9.639 -5.988 -0.772 1.00 0.00 C ATOM 803 C GLY A 54 -10.330 -5.547 0.503 1.00 0.00 C ATOM 804 O GLY A 54 -10.585 -6.359 1.393 1.00 0.00 O ATOM 0 H GLY A 54 -8.292 -4.723 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.278 -5.761 -1.625 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.505 -7.070 -0.753 1.00 0.00 H new ATOM 808 N HIS A 55 -10.632 -4.256 0.594 1.00 0.00 N ATOM 809 CA HIS A 55 -11.296 -3.707 1.771 1.00 0.00 C ATOM 810 C HIS A 55 -10.549 -4.092 3.045 1.00 0.00 C ATOM 811 O HIS A 55 -11.164 -4.400 4.066 1.00 0.00 O ATOM 812 CB HIS A 55 -12.741 -4.201 1.844 1.00 0.00 C ATOM 813 CG HIS A 55 -13.519 -3.964 0.587 1.00 0.00 C ATOM 814 ND1 HIS A 55 -13.578 -2.738 -0.042 1.00 0.00 N ATOM 815 CD2 HIS A 55 -14.273 -4.804 -0.160 1.00 0.00 C ATOM 816 CE1 HIS A 55 -14.335 -2.834 -1.120 1.00 0.00 C ATOM 817 NE2 HIS A 55 -14.769 -4.078 -1.215 1.00 0.00 N ATOM 0 H HIS A 55 -10.428 -3.570 -0.133 1.00 0.00 H new ATOM 0 HA HIS A 55 -11.295 -2.620 1.685 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.741 -5.268 2.066 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.245 -3.704 2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -14.451 -5.851 0.037 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -14.561 -2.032 -1.807 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -15.374 -4.440 -1.952 1.00 0.00 H new ATOM 825 N GLU A 56 -9.222 -4.072 2.976 1.00 0.00 N ATOM 826 CA GLU A 56 -8.393 -4.421 4.124 1.00 0.00 C ATOM 827 C GLU A 56 -7.116 -3.585 4.147 1.00 0.00 C ATOM 828 O GLU A 56 -6.492 -3.356 3.111 1.00 0.00 O ATOM 829 CB GLU A 56 -8.041 -5.909 4.094 1.00 0.00 C ATOM 830 CG GLU A 56 -7.300 -6.385 5.333 1.00 0.00 C ATOM 831 CD GLU A 56 -7.610 -7.828 5.679 1.00 0.00 C ATOM 832 OE1 GLU A 56 -7.301 -8.715 4.856 1.00 0.00 O ATOM 833 OE2 GLU A 56 -8.160 -8.071 6.773 1.00 0.00 O ATOM 0 H GLU A 56 -8.698 -3.818 2.138 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.962 -4.208 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.958 -6.488 3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.429 -6.111 3.215 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.227 -6.276 5.175 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.564 -5.748 6.177 1.00 0.00 H new ATOM 840 N THR A 57 -6.734 -3.132 5.337 1.00 0.00 N ATOM 841 CA THR A 57 -5.533 -2.321 5.496 1.00 0.00 C ATOM 842 C THR A 57 -4.311 -3.193 5.758 1.00 0.00 C ATOM 843 O THR A 57 -4.321 -4.043 6.650 1.00 0.00 O ATOM 844 CB THR A 57 -5.686 -1.311 6.649 1.00 0.00 C ATOM 845 OG1 THR A 57 -7.061 -1.215 7.037 1.00 0.00 O ATOM 846 CG2 THR A 57 -5.173 0.061 6.239 1.00 0.00 C ATOM 0 H THR A 57 -7.239 -3.313 6.205 1.00 0.00 H new ATOM 0 HA THR A 57 -5.393 -1.777 4.562 1.00 0.00 H new ATOM 0 HB THR A 57 -5.094 -1.665 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 57 -7.527 -0.594 6.439 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.292 0.757 7.070 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.118 -0.010 5.972 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.741 0.420 5.381 1.00 0.00 H new ATOM 854 N LEU A 58 -3.258 -2.978 4.977 1.00 0.00 N ATOM 855 CA LEU A 58 -2.026 -3.745 5.125 1.00 0.00 C ATOM 856 C LEU A 58 -1.097 -3.091 6.143 1.00 0.00 C ATOM 857 O LEU A 58 -1.247 -1.913 6.468 1.00 0.00 O ATOM 858 CB LEU A 58 -1.316 -3.872 3.776 1.00 0.00 C ATOM 859 CG LEU A 58 -2.183 -4.323 2.600 1.00 0.00 C ATOM 860 CD1 LEU A 58 -1.477 -4.050 1.281 1.00 0.00 C ATOM 861 CD2 LEU A 58 -2.528 -5.800 2.728 1.00 0.00 C ATOM 0 H LEU A 58 -3.233 -2.279 4.235 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.287 -4.740 5.486 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.876 -2.906 3.527 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.493 -4.578 3.886 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.111 -3.751 2.616 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.109 -4.377 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.282 -2.982 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.533 -4.595 1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.145 -6.104 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.611 -6.388 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.075 -5.967 3.656 1.00 0.00 H new ATOM 873 N ARG A 59 -0.136 -3.863 6.640 1.00 0.00 N ATOM 874 CA ARG A 59 0.818 -3.359 7.620 1.00 0.00 C ATOM 875 C ARG A 59 2.194 -3.984 7.411 1.00 0.00 C ATOM 876 O ARG A 59 2.342 -4.944 6.653 1.00 0.00 O ATOM 877 CB ARG A 59 0.326 -3.647 9.039 1.00 0.00 C ATOM 878 CG ARG A 59 -0.577 -2.562 9.603 1.00 0.00 C ATOM 879 CD ARG A 59 0.229 -1.457 10.268 1.00 0.00 C ATOM 880 NE ARG A 59 -0.076 -1.338 11.691 1.00 0.00 N ATOM 881 CZ ARG A 59 0.443 -0.402 12.478 1.00 0.00 C ATOM 882 NH1 ARG A 59 1.287 0.492 11.983 1.00 0.00 N ATOM 883 NH2 ARG A 59 0.117 -0.359 13.764 1.00 0.00 N ATOM 0 H ARG A 59 0.002 -4.840 6.380 1.00 0.00 H new ATOM 0 HA ARG A 59 0.903 -2.281 7.485 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.213 -4.594 9.042 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.188 -3.768 9.696 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -1.184 -2.140 8.802 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.264 -2.999 10.327 1.00 0.00 H new ATOM 0 HD2 ARG A 59 1.293 -1.657 10.141 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.022 -0.509 9.772 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.723 -2.010 12.103 1.00 0.00 H new ATOM 0 HH11 ARG A 59 1.540 0.463 10.995 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.684 1.209 12.590 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -0.532 -1.045 14.149 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.516 0.360 14.368 1.00 0.00 H new ATOM 897 N ASP A 60 3.197 -3.435 8.087 1.00 0.00 N ATOM 898 CA ASP A 60 4.561 -3.939 7.976 1.00 0.00 C ATOM 899 C ASP A 60 4.916 -4.815 9.174 1.00 0.00 C ATOM 900 O ASP A 60 4.219 -4.809 10.188 1.00 0.00 O ATOM 901 CB ASP A 60 5.550 -2.777 7.867 1.00 0.00 C ATOM 902 CG ASP A 60 5.822 -2.121 9.206 1.00 0.00 C ATOM 903 OD1 ASP A 60 4.850 -1.701 9.869 1.00 0.00 O ATOM 904 OD2 ASP A 60 7.006 -2.027 9.591 1.00 0.00 O ATOM 0 H ASP A 60 3.091 -2.641 8.718 1.00 0.00 H new ATOM 0 HA ASP A 60 4.625 -4.546 7.073 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.488 -3.140 7.446 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.157 -2.033 7.174 1.00 0.00 H new ATOM 909 N GLY A 61 6.005 -5.568 9.048 1.00 0.00 N ATOM 910 CA GLY A 61 6.432 -6.439 10.127 1.00 0.00 C ATOM 911 C GLY A 61 7.187 -7.654 9.627 1.00 0.00 C ATOM 912 O GLY A 61 6.643 -8.758 9.586 1.00 0.00 O ATOM 0 H GLY A 61 6.598 -5.590 8.219 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.066 -5.878 10.813 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.560 -6.765 10.694 1.00 0.00 H new ATOM 916 N ASP A 62 8.443 -7.452 9.243 1.00 0.00 N ATOM 917 CA ASP A 62 9.274 -8.541 8.742 1.00 0.00 C ATOM 918 C ASP A 62 8.781 -9.017 7.379 1.00 0.00 C ATOM 919 O ASP A 62 9.380 -8.709 6.349 1.00 0.00 O ATOM 920 CB ASP A 62 9.277 -9.706 9.732 1.00 0.00 C ATOM 921 CG ASP A 62 10.644 -9.941 10.344 1.00 0.00 C ATOM 922 OD1 ASP A 62 11.226 -8.978 10.886 1.00 0.00 O ATOM 923 OD2 ASP A 62 11.132 -11.089 10.281 1.00 0.00 O ATOM 0 H ASP A 62 8.908 -6.544 9.269 1.00 0.00 H new ATOM 0 HA ASP A 62 10.292 -8.167 8.631 1.00 0.00 H new ATOM 0 HB2 ASP A 62 8.556 -9.507 10.525 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.949 -10.612 9.223 1.00 0.00 H new ATOM 928 N ARG A 63 7.686 -9.770 7.381 1.00 0.00 N ATOM 929 CA ARG A 63 7.114 -10.291 6.146 1.00 0.00 C ATOM 930 C ARG A 63 6.865 -9.166 5.145 1.00 0.00 C ATOM 931 O ARG A 63 7.325 -9.223 4.004 1.00 0.00 O ATOM 932 CB ARG A 63 5.805 -11.029 6.435 1.00 0.00 C ATOM 933 CG ARG A 63 5.986 -12.519 6.671 1.00 0.00 C ATOM 934 CD ARG A 63 5.457 -12.936 8.035 1.00 0.00 C ATOM 935 NE ARG A 63 6.521 -13.023 9.031 1.00 0.00 N ATOM 936 CZ ARG A 63 6.321 -13.403 10.288 1.00 0.00 C ATOM 937 NH1 ARG A 63 5.104 -13.730 10.700 1.00 0.00 N ATOM 938 NH2 ARG A 63 7.340 -13.457 11.136 1.00 0.00 N ATOM 0 H ARG A 63 7.177 -10.033 8.225 1.00 0.00 H new ATOM 0 HA ARG A 63 7.829 -10.990 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.334 -10.585 7.312 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.123 -10.882 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 63 5.467 -13.077 5.892 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.043 -12.775 6.596 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.707 -12.219 8.368 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.959 -13.902 7.951 1.00 0.00 H new ATOM 0 HE ARG A 63 7.469 -12.779 8.746 1.00 0.00 H new ATOM 0 HH11 ARG A 63 4.318 -13.690 10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.954 -14.021 11.666 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.278 -13.207 10.823 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.185 -13.749 12.101 1.00 0.00 H new ATOM 952 N HIS A 64 6.135 -8.144 5.581 1.00 0.00 N ATOM 953 CA HIS A 64 5.825 -7.006 4.723 1.00 0.00 C ATOM 954 C HIS A 64 6.794 -5.855 4.977 1.00 0.00 C ATOM 955 O HIS A 64 6.866 -5.324 6.085 1.00 0.00 O ATOM 956 CB HIS A 64 4.388 -6.539 4.958 1.00 0.00 C ATOM 957 CG HIS A 64 3.358 -7.557 4.576 1.00 0.00 C ATOM 958 ND1 HIS A 64 3.187 -8.746 5.252 1.00 0.00 N ATOM 959 CD2 HIS A 64 2.441 -7.557 3.580 1.00 0.00 C ATOM 960 CE1 HIS A 64 2.211 -9.434 4.689 1.00 0.00 C ATOM 961 NE2 HIS A 64 1.740 -8.735 3.672 1.00 0.00 N ATOM 0 H HIS A 64 5.748 -8.081 6.522 1.00 0.00 H new ATOM 0 HA HIS A 64 5.930 -7.325 3.686 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.264 -6.286 6.011 1.00 0.00 H new ATOM 0 HB3 HIS A 64 4.214 -5.626 4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.289 -6.776 2.849 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.858 -10.404 5.006 1.00 0.00 H new ATOM 0 HE2 HIS A 64 0.980 -9.023 3.056 1.00 0.00 H new ATOM 969 N SER A 65 7.538 -5.475 3.943 1.00 0.00 N ATOM 970 CA SER A 65 8.507 -4.390 4.056 1.00 0.00 C ATOM 971 C SER A 65 7.955 -3.104 3.448 1.00 0.00 C ATOM 972 O SER A 65 7.913 -2.949 2.227 1.00 0.00 O ATOM 973 CB SER A 65 9.816 -4.774 3.364 1.00 0.00 C ATOM 974 OG SER A 65 10.713 -5.388 4.274 1.00 0.00 O ATOM 0 H SER A 65 7.489 -5.902 3.018 1.00 0.00 H new ATOM 0 HA SER A 65 8.701 -4.217 5.115 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.608 -5.454 2.538 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.279 -3.885 2.936 1.00 0.00 H new ATOM 0 HG SER A 65 11.541 -5.626 3.807 1.00 0.00 H new ATOM 980 N LEU A 66 7.532 -2.185 4.308 1.00 0.00 N ATOM 981 CA LEU A 66 6.982 -0.911 3.858 1.00 0.00 C ATOM 982 C LEU A 66 8.022 0.199 3.965 1.00 0.00 C ATOM 983 O LEU A 66 8.598 0.423 5.030 1.00 0.00 O ATOM 984 CB LEU A 66 5.745 -0.548 4.681 1.00 0.00 C ATOM 985 CG LEU A 66 4.432 -1.198 4.242 1.00 0.00 C ATOM 986 CD1 LEU A 66 4.517 -2.711 4.368 1.00 0.00 C ATOM 987 CD2 LEU A 66 3.269 -0.657 5.061 1.00 0.00 C ATOM 0 H LEU A 66 7.559 -2.298 5.321 1.00 0.00 H new ATOM 0 HA LEU A 66 6.696 -1.016 2.811 1.00 0.00 H new ATOM 0 HB2 LEU A 66 5.932 -0.820 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.619 0.534 4.652 1.00 0.00 H new ATOM 0 HG LEU A 66 4.259 -0.951 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.574 -3.156 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.324 -3.084 3.737 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.714 -2.979 5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.343 -1.131 4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.435 -0.873 6.116 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.195 0.421 4.919 1.00 0.00 H new ATOM 999 N ARG A 67 8.255 0.894 2.856 1.00 0.00 N ATOM 1000 CA ARG A 67 9.225 1.982 2.826 1.00 0.00 C ATOM 1001 C ARG A 67 8.654 3.199 2.104 1.00 0.00 C ATOM 1002 O ARG A 67 7.753 3.074 1.275 1.00 0.00 O ATOM 1003 CB ARG A 67 10.514 1.526 2.138 1.00 0.00 C ATOM 1004 CG ARG A 67 11.095 0.248 2.720 1.00 0.00 C ATOM 1005 CD ARG A 67 12.420 -0.110 2.065 1.00 0.00 C ATOM 1006 NE ARG A 67 13.463 -0.379 3.052 1.00 0.00 N ATOM 1007 CZ ARG A 67 13.569 -1.525 3.715 1.00 0.00 C ATOM 1008 NH1 ARG A 67 12.700 -2.503 3.498 1.00 0.00 N ATOM 1009 NH2 ARG A 67 14.545 -1.695 4.597 1.00 0.00 N ATOM 0 H ARG A 67 7.785 0.723 1.967 1.00 0.00 H new ATOM 0 HA ARG A 67 9.450 2.263 3.855 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.316 1.375 1.077 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.257 2.320 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.239 0.369 3.794 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.388 -0.570 2.583 1.00 0.00 H new ATOM 0 HD2 ARG A 67 12.286 -0.986 1.431 1.00 0.00 H new ATOM 0 HD3 ARG A 67 12.736 0.707 1.417 1.00 0.00 H new ATOM 0 HE ARG A 67 14.147 0.353 3.242 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.948 -2.376 2.821 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.784 -3.382 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.215 -0.945 4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.625 -2.576 5.105 1.00 0.00 H new ATOM 1023 N GLN A 68 9.184 4.374 2.427 1.00 0.00 N ATOM 1024 CA GLN A 68 8.726 5.613 1.810 1.00 0.00 C ATOM 1025 C GLN A 68 9.868 6.617 1.691 1.00 0.00 C ATOM 1026 O GLN A 68 10.594 6.863 2.655 1.00 0.00 O ATOM 1027 CB GLN A 68 7.581 6.220 2.623 1.00 0.00 C ATOM 1028 CG GLN A 68 6.621 7.057 1.793 1.00 0.00 C ATOM 1029 CD GLN A 68 5.904 8.109 2.614 1.00 0.00 C ATOM 1030 OE1 GLN A 68 6.047 8.163 3.836 1.00 0.00 O ATOM 1031 NE2 GLN A 68 5.126 8.953 1.947 1.00 0.00 N ATOM 0 H GLN A 68 9.930 4.494 3.112 1.00 0.00 H new ATOM 0 HA GLN A 68 8.367 5.378 0.808 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.025 5.417 3.107 1.00 0.00 H new ATOM 0 HB3 GLN A 68 7.999 6.841 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 68 7.172 7.543 0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.885 6.403 1.326 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.036 8.872 0.934 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.618 9.682 2.447 1.00 0.00 H new ATOM 1040 N ASP A 69 10.022 7.193 0.504 1.00 0.00 N ATOM 1041 CA ASP A 69 11.075 8.171 0.260 1.00 0.00 C ATOM 1042 C ASP A 69 10.493 9.476 -0.275 1.00 0.00 C ATOM 1043 O ASP A 69 10.473 9.710 -1.482 1.00 0.00 O ATOM 1044 CB ASP A 69 12.099 7.613 -0.730 1.00 0.00 C ATOM 1045 CG ASP A 69 13.066 6.644 -0.078 1.00 0.00 C ATOM 1046 OD1 ASP A 69 13.258 6.735 1.153 1.00 0.00 O ATOM 1047 OD2 ASP A 69 13.629 5.794 -0.798 1.00 0.00 O ATOM 0 H ASP A 69 9.431 6.999 -0.304 1.00 0.00 H new ATOM 0 HA ASP A 69 11.571 8.377 1.208 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.577 7.109 -1.543 1.00 0.00 H new ATOM 0 HB3 ASP A 69 12.658 8.437 -1.173 1.00 0.00 H new ATOM 1052 N GLY A 70 10.017 10.322 0.634 1.00 0.00 N ATOM 1053 CA GLY A 70 9.439 11.592 0.235 1.00 0.00 C ATOM 1054 C GLY A 70 8.117 11.425 -0.487 1.00 0.00 C ATOM 1055 O GLY A 70 7.057 11.414 0.138 1.00 0.00 O ATOM 0 H GLY A 70 10.021 10.150 1.639 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.291 12.214 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.139 12.119 -0.413 1.00 0.00 H new ATOM 1059 N ALA A 71 8.178 11.298 -1.809 1.00 0.00 N ATOM 1060 CA ALA A 71 6.977 11.131 -2.617 1.00 0.00 C ATOM 1061 C ALA A 71 6.896 9.723 -3.197 1.00 0.00 C ATOM 1062 O ALA A 71 5.810 9.162 -3.341 1.00 0.00 O ATOM 1063 CB ALA A 71 6.942 12.166 -3.731 1.00 0.00 C ATOM 0 H ALA A 71 9.047 11.308 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 71 6.112 11.279 -1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 71 6.039 12.029 -4.327 1.00 0.00 H new ATOM 0 HB2 ALA A 71 6.943 13.166 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.818 12.045 -4.368 1.00 0.00 H new ATOM 1069 N ARG A 72 8.052 9.158 -3.530 1.00 0.00 N ATOM 1070 CA ARG A 72 8.112 7.816 -4.096 1.00 0.00 C ATOM 1071 C ARG A 72 7.814 6.764 -3.033 1.00 0.00 C ATOM 1072 O ARG A 72 8.570 6.603 -2.074 1.00 0.00 O ATOM 1073 CB ARG A 72 9.490 7.560 -4.711 1.00 0.00 C ATOM 1074 CG ARG A 72 9.591 7.969 -6.171 1.00 0.00 C ATOM 1075 CD ARG A 72 10.865 7.440 -6.811 1.00 0.00 C ATOM 1076 NE ARG A 72 12.051 8.145 -6.333 1.00 0.00 N ATOM 1077 CZ ARG A 72 12.349 9.395 -6.671 1.00 0.00 C ATOM 1078 NH1 ARG A 72 11.551 10.074 -7.483 1.00 0.00 N ATOM 1079 NH2 ARG A 72 13.447 9.969 -6.195 1.00 0.00 N ATOM 0 H ARG A 72 8.960 9.609 -3.417 1.00 0.00 H new ATOM 0 HA ARG A 72 7.354 7.744 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.241 8.103 -4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.727 6.500 -4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.725 7.593 -6.716 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.568 9.056 -6.248 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.964 6.376 -6.595 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.795 7.541 -7.894 1.00 0.00 H new ATOM 0 HE ARG A 72 12.685 7.651 -5.705 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.706 9.637 -7.850 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.782 11.033 -7.741 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.063 9.450 -5.569 1.00 0.00 H new ATOM 0 HH22 ARG A 72 13.675 10.929 -6.455 1.00 0.00 H new ATOM 1093 N CYS A 73 6.707 6.050 -3.209 1.00 0.00 N ATOM 1094 CA CYS A 73 6.308 5.013 -2.265 1.00 0.00 C ATOM 1095 C CYS A 73 6.534 3.624 -2.853 1.00 0.00 C ATOM 1096 O CYS A 73 6.667 3.469 -4.067 1.00 0.00 O ATOM 1097 CB CYS A 73 4.837 5.183 -1.880 1.00 0.00 C ATOM 1098 SG CYS A 73 4.390 6.869 -1.401 1.00 0.00 S ATOM 0 H CYS A 73 6.070 6.171 -3.997 1.00 0.00 H new ATOM 0 HA CYS A 73 6.925 5.114 -1.372 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.215 4.879 -2.721 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.608 4.509 -1.054 1.00 0.00 H new ATOM 0 HG CYS A 73 4.977 7.715 -2.194 1.00 0.00 H new ATOM 1104 N GLU A 74 6.579 2.619 -1.985 1.00 0.00 N ATOM 1105 CA GLU A 74 6.792 1.243 -2.420 1.00 0.00 C ATOM 1106 C GLU A 74 6.377 0.258 -1.331 1.00 0.00 C ATOM 1107 O GLU A 74 6.314 0.608 -0.152 1.00 0.00 O ATOM 1108 CB GLU A 74 8.261 1.024 -2.789 1.00 0.00 C ATOM 1109 CG GLU A 74 9.214 1.183 -1.616 1.00 0.00 C ATOM 1110 CD GLU A 74 9.914 2.528 -1.612 1.00 0.00 C ATOM 1111 OE1 GLU A 74 9.269 3.533 -1.976 1.00 0.00 O ATOM 1112 OE2 GLU A 74 11.107 2.575 -1.246 1.00 0.00 O ATOM 0 H GLU A 74 6.471 2.731 -0.977 1.00 0.00 H new ATOM 0 HA GLU A 74 6.173 1.066 -3.300 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.377 0.024 -3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.540 1.731 -3.571 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.661 1.063 -0.684 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.960 0.389 -1.649 1.00 0.00 H new ATOM 1119 N LEU A 75 6.095 -0.976 -1.734 1.00 0.00 N ATOM 1120 CA LEU A 75 5.685 -2.013 -0.794 1.00 0.00 C ATOM 1121 C LEU A 75 6.304 -3.358 -1.164 1.00 0.00 C ATOM 1122 O LEU A 75 5.890 -3.997 -2.130 1.00 0.00 O ATOM 1123 CB LEU A 75 4.161 -2.131 -0.767 1.00 0.00 C ATOM 1124 CG LEU A 75 3.597 -3.397 -0.120 1.00 0.00 C ATOM 1125 CD1 LEU A 75 4.184 -3.594 1.269 1.00 0.00 C ATOM 1126 CD2 LEU A 75 2.078 -3.331 -0.055 1.00 0.00 C ATOM 0 H LEU A 75 6.143 -1.283 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 75 6.039 -1.731 0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 75 3.759 -1.267 -0.238 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.794 -2.077 -1.792 1.00 0.00 H new ATOM 0 HG LEU A 75 3.878 -4.252 -0.735 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.771 -4.500 1.713 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.268 -3.687 1.196 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.935 -2.737 1.894 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.694 -4.240 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.776 -2.467 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.674 -3.239 -1.063 1.00 0.00 H new ATOM 1138 N GLN A 76 7.296 -3.781 -0.386 1.00 0.00 N ATOM 1139 CA GLN A 76 7.970 -5.050 -0.632 1.00 0.00 C ATOM 1140 C GLN A 76 7.321 -6.175 0.169 1.00 0.00 C ATOM 1141 O GLN A 76 6.908 -5.977 1.312 1.00 0.00 O ATOM 1142 CB GLN A 76 9.453 -4.942 -0.272 1.00 0.00 C ATOM 1143 CG GLN A 76 10.202 -6.261 -0.376 1.00 0.00 C ATOM 1144 CD GLN A 76 11.559 -6.111 -1.034 1.00 0.00 C ATOM 1145 OE1 GLN A 76 11.668 -6.088 -2.261 1.00 0.00 O ATOM 1146 NE2 GLN A 76 12.603 -6.007 -0.221 1.00 0.00 N ATOM 0 H GLN A 76 7.650 -3.264 0.419 1.00 0.00 H new ATOM 0 HA GLN A 76 7.877 -5.283 -1.693 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.926 -4.212 -0.930 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.545 -4.561 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.331 -6.681 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.603 -6.971 -0.946 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.467 -6.031 0.790 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.541 -5.903 -0.607 1.00 0.00 H new ATOM 1155 N ILE A 77 7.234 -7.353 -0.439 1.00 0.00 N ATOM 1156 CA ILE A 77 6.636 -8.508 0.218 1.00 0.00 C ATOM 1157 C ILE A 77 7.482 -9.759 0.008 1.00 0.00 C ATOM 1158 O ILE A 77 7.645 -10.229 -1.119 1.00 0.00 O ATOM 1159 CB ILE A 77 5.210 -8.774 -0.299 1.00 0.00 C ATOM 1160 CG1 ILE A 77 4.326 -7.546 -0.075 1.00 0.00 C ATOM 1161 CG2 ILE A 77 4.615 -9.994 0.390 1.00 0.00 C ATOM 1162 CD1 ILE A 77 3.056 -7.557 -0.897 1.00 0.00 C ATOM 0 H ILE A 77 7.570 -7.533 -1.385 1.00 0.00 H new ATOM 0 HA ILE A 77 6.591 -8.277 1.282 1.00 0.00 H new ATOM 0 HB ILE A 77 5.259 -8.973 -1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.065 -7.484 0.981 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.897 -6.649 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.607 -10.169 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.235 -10.866 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.576 -9.822 1.466 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.479 -6.656 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.309 -7.587 -1.957 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.464 -8.435 -0.640 1.00 0.00 H new ATOM 1174 N ARG A 78 8.017 -10.296 1.100 1.00 0.00 N ATOM 1175 CA ARG A 78 8.846 -11.493 1.035 1.00 0.00 C ATOM 1176 C ARG A 78 8.026 -12.740 1.352 1.00 0.00 C ATOM 1177 O ARG A 78 7.113 -12.702 2.176 1.00 0.00 O ATOM 1178 CB ARG A 78 10.020 -11.380 2.010 1.00 0.00 C ATOM 1179 CG ARG A 78 11.301 -10.876 1.365 1.00 0.00 C ATOM 1180 CD ARG A 78 12.382 -11.945 1.364 1.00 0.00 C ATOM 1181 NE ARG A 78 12.367 -12.739 0.139 1.00 0.00 N ATOM 1182 CZ ARG A 78 13.236 -13.709 -0.120 1.00 0.00 C ATOM 1183 NH1 ARG A 78 14.185 -14.005 0.758 1.00 0.00 N ATOM 1184 NH2 ARG A 78 13.157 -14.387 -1.258 1.00 0.00 N ATOM 0 H ARG A 78 7.891 -9.921 2.040 1.00 0.00 H new ATOM 0 HA ARG A 78 9.233 -11.582 0.020 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.743 -10.708 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 78 10.207 -12.357 2.455 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.096 -10.564 0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 78 11.658 -9.997 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 78 13.358 -11.473 1.478 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.243 -12.602 2.223 1.00 0.00 H new ATOM 0 HE ARG A 78 11.649 -12.537 -0.557 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.248 -13.487 1.634 1.00 0.00 H new ATOM 0 HH12 ARG A 78 14.851 -14.751 0.557 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.428 -14.163 -1.935 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.825 -15.132 -1.455 1.00 0.00 H new ATOM 1198 N GLY A 79 8.359 -13.845 0.692 1.00 0.00 N ATOM 1199 CA GLY A 79 7.643 -15.088 0.917 1.00 0.00 C ATOM 1200 C GLY A 79 6.302 -15.120 0.212 1.00 0.00 C ATOM 1201 O GLY A 79 5.266 -15.337 0.842 1.00 0.00 O ATOM 0 H GLY A 79 9.111 -13.902 0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.252 -15.923 0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.491 -15.227 1.987 1.00 0.00 H new ATOM 1205 N LEU A 80 6.319 -14.902 -1.099 1.00 0.00 N ATOM 1206 CA LEU A 80 5.093 -14.905 -1.891 1.00 0.00 C ATOM 1207 C LEU A 80 4.368 -16.241 -1.766 1.00 0.00 C ATOM 1208 O LEU A 80 4.896 -17.196 -1.196 1.00 0.00 O ATOM 1209 CB LEU A 80 5.412 -14.620 -3.360 1.00 0.00 C ATOM 1210 CG LEU A 80 5.462 -13.146 -3.762 1.00 0.00 C ATOM 1211 CD1 LEU A 80 5.930 -13.001 -5.201 1.00 0.00 C ATOM 1212 CD2 LEU A 80 4.099 -12.495 -3.574 1.00 0.00 C ATOM 0 H LEU A 80 7.167 -14.721 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 80 4.440 -14.121 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.375 -15.073 -3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.665 -15.119 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 80 6.177 -12.637 -3.116 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.959 -11.945 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.927 -13.429 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.240 -13.524 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.154 -11.446 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.363 -13.006 -4.195 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.803 -12.566 -2.527 1.00 0.00 H new ATOM 1224 N VAL A 81 3.154 -16.302 -2.304 1.00 0.00 N ATOM 1225 CA VAL A 81 2.356 -17.522 -2.256 1.00 0.00 C ATOM 1226 C VAL A 81 1.265 -17.507 -3.320 1.00 0.00 C ATOM 1227 O VAL A 81 1.382 -18.166 -4.353 1.00 0.00 O ATOM 1228 CB VAL A 81 1.707 -17.713 -0.872 1.00 0.00 C ATOM 1229 CG1 VAL A 81 2.483 -18.734 -0.055 1.00 0.00 C ATOM 1230 CG2 VAL A 81 1.619 -16.384 -0.137 1.00 0.00 C ATOM 0 H VAL A 81 2.701 -15.521 -2.778 1.00 0.00 H new ATOM 0 HA VAL A 81 3.035 -18.353 -2.448 1.00 0.00 H new ATOM 0 HB VAL A 81 0.694 -18.091 -1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.010 -18.856 0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.488 -19.690 -0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.508 -18.389 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.158 -16.538 0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.620 -15.974 -0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.015 -15.686 -0.718 1.00 0.00 H new ATOM 1240 N ALA A 82 0.204 -16.750 -3.061 1.00 0.00 N ATOM 1241 CA ALA A 82 -0.908 -16.647 -3.998 1.00 0.00 C ATOM 1242 C ALA A 82 -1.993 -15.719 -3.462 1.00 0.00 C ATOM 1243 O ALA A 82 -2.653 -15.015 -4.226 1.00 0.00 O ATOM 1244 CB ALA A 82 -1.485 -18.025 -4.286 1.00 0.00 C ATOM 0 H ALA A 82 0.091 -16.199 -2.210 1.00 0.00 H new ATOM 0 HA ALA A 82 -0.529 -16.222 -4.928 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.315 -17.933 -4.987 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -0.712 -18.660 -4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.842 -18.471 -3.358 1.00 0.00 H new ATOM 1250 N GLU A 83 -2.173 -15.724 -2.145 1.00 0.00 N ATOM 1251 CA GLU A 83 -3.180 -14.883 -1.509 1.00 0.00 C ATOM 1252 C GLU A 83 -2.823 -13.406 -1.650 1.00 0.00 C ATOM 1253 O GLU A 83 -3.702 -12.546 -1.700 1.00 0.00 O ATOM 1254 CB GLU A 83 -3.319 -15.246 -0.029 1.00 0.00 C ATOM 1255 CG GLU A 83 -4.175 -16.477 0.217 1.00 0.00 C ATOM 1256 CD GLU A 83 -5.617 -16.131 0.536 1.00 0.00 C ATOM 1257 OE1 GLU A 83 -5.847 -15.410 1.529 1.00 0.00 O ATOM 1258 OE2 GLU A 83 -6.513 -16.581 -0.207 1.00 0.00 O ATOM 0 H GLU A 83 -1.635 -16.301 -1.498 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.132 -15.059 -2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.327 -15.414 0.390 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -3.752 -14.400 0.505 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.145 -17.117 -0.664 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.752 -17.050 1.042 1.00 0.00 H new ATOM 1265 N ASP A 84 -1.527 -13.120 -1.713 1.00 0.00 N ATOM 1266 CA ASP A 84 -1.052 -11.748 -1.848 1.00 0.00 C ATOM 1267 C ASP A 84 -1.635 -11.092 -3.096 1.00 0.00 C ATOM 1268 O ASP A 84 -1.946 -9.901 -3.097 1.00 0.00 O ATOM 1269 CB ASP A 84 0.476 -11.718 -1.908 1.00 0.00 C ATOM 1270 CG ASP A 84 1.113 -12.033 -0.569 1.00 0.00 C ATOM 1271 OD1 ASP A 84 0.369 -12.352 0.382 1.00 0.00 O ATOM 1272 OD2 ASP A 84 2.356 -11.959 -0.471 1.00 0.00 O ATOM 0 H ASP A 84 -0.787 -13.820 -1.673 1.00 0.00 H new ATOM 0 HA ASP A 84 -1.385 -11.187 -0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 84 0.822 -12.437 -2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 84 0.805 -10.734 -2.241 1.00 0.00 H new ATOM 1277 N ALA A 85 -1.780 -11.878 -4.159 1.00 0.00 N ATOM 1278 CA ALA A 85 -2.326 -11.374 -5.413 1.00 0.00 C ATOM 1279 C ALA A 85 -3.696 -10.740 -5.199 1.00 0.00 C ATOM 1280 O ALA A 85 -4.367 -11.009 -4.204 1.00 0.00 O ATOM 1281 CB ALA A 85 -2.414 -12.494 -6.438 1.00 0.00 C ATOM 0 H ALA A 85 -1.527 -12.866 -4.176 1.00 0.00 H new ATOM 0 HA ALA A 85 -1.654 -10.604 -5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.823 -12.103 -7.370 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.419 -12.899 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -3.063 -13.284 -6.059 1.00 0.00 H new ATOM 1287 N GLY A 86 -4.106 -9.896 -6.141 1.00 0.00 N ATOM 1288 CA GLY A 86 -5.395 -9.236 -6.037 1.00 0.00 C ATOM 1289 C GLY A 86 -5.342 -7.787 -6.479 1.00 0.00 C ATOM 1290 O GLY A 86 -4.540 -7.423 -7.338 1.00 0.00 O ATOM 0 H GLY A 86 -3.569 -9.657 -6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -6.124 -9.772 -6.645 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -5.743 -9.285 -5.005 1.00 0.00 H new ATOM 1294 N GLU A 87 -6.201 -6.960 -5.892 1.00 0.00 N ATOM 1295 CA GLU A 87 -6.250 -5.543 -6.233 1.00 0.00 C ATOM 1296 C GLU A 87 -5.677 -4.691 -5.104 1.00 0.00 C ATOM 1297 O GLU A 87 -6.227 -4.648 -4.004 1.00 0.00 O ATOM 1298 CB GLU A 87 -7.689 -5.116 -6.529 1.00 0.00 C ATOM 1299 CG GLU A 87 -7.797 -3.743 -7.171 1.00 0.00 C ATOM 1300 CD GLU A 87 -9.124 -3.531 -7.873 1.00 0.00 C ATOM 1301 OE1 GLU A 87 -9.538 -4.424 -8.642 1.00 0.00 O ATOM 1302 OE2 GLU A 87 -9.749 -2.472 -7.655 1.00 0.00 O ATOM 0 H GLU A 87 -6.872 -7.246 -5.179 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.642 -5.389 -7.125 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.149 -5.853 -7.187 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.258 -5.119 -5.600 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.668 -2.977 -6.406 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.986 -3.617 -7.888 1.00 0.00 H new ATOM 1309 N TYR A 88 -4.568 -4.016 -5.385 1.00 0.00 N ATOM 1310 CA TYR A 88 -3.917 -3.168 -4.393 1.00 0.00 C ATOM 1311 C TYR A 88 -4.399 -1.725 -4.510 1.00 0.00 C ATOM 1312 O TYR A 88 -4.880 -1.302 -5.562 1.00 0.00 O ATOM 1313 CB TYR A 88 -2.398 -3.225 -4.560 1.00 0.00 C ATOM 1314 CG TYR A 88 -1.777 -4.493 -4.019 1.00 0.00 C ATOM 1315 CD1 TYR A 88 -2.017 -5.721 -4.624 1.00 0.00 C ATOM 1316 CD2 TYR A 88 -0.948 -4.463 -2.904 1.00 0.00 C ATOM 1317 CE1 TYR A 88 -1.452 -6.882 -4.132 1.00 0.00 C ATOM 1318 CE2 TYR A 88 -0.378 -5.619 -2.407 1.00 0.00 C ATOM 1319 CZ TYR A 88 -0.633 -6.826 -3.024 1.00 0.00 C ATOM 1320 OH TYR A 88 -0.067 -7.980 -2.533 1.00 0.00 O ATOM 0 H TYR A 88 -4.101 -4.039 -6.291 1.00 0.00 H new ATOM 0 HA TYR A 88 -4.181 -3.542 -3.404 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.153 -3.133 -5.618 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.953 -2.368 -4.055 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.656 -5.769 -5.493 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -0.746 -3.520 -2.418 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.651 -7.828 -4.613 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.264 -5.578 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.618 -8.749 -2.788 1.00 0.00 H new ATOM 1330 N LEU A 89 -4.266 -0.974 -3.422 1.00 0.00 N ATOM 1331 CA LEU A 89 -4.687 0.423 -3.401 1.00 0.00 C ATOM 1332 C LEU A 89 -3.584 1.315 -2.840 1.00 0.00 C ATOM 1333 O LEU A 89 -2.584 0.825 -2.313 1.00 0.00 O ATOM 1334 CB LEU A 89 -5.960 0.580 -2.567 1.00 0.00 C ATOM 1335 CG LEU A 89 -7.192 1.091 -3.313 1.00 0.00 C ATOM 1336 CD1 LEU A 89 -8.409 0.243 -2.979 1.00 0.00 C ATOM 1337 CD2 LEU A 89 -7.450 2.553 -2.978 1.00 0.00 C ATOM 0 H LEU A 89 -3.870 -1.309 -2.543 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.892 0.731 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.202 -0.387 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -5.749 1.263 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.003 1.012 -4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -9.276 0.622 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.223 -0.791 -3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.601 0.289 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.331 2.900 -3.518 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.617 2.657 -1.906 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.587 3.151 -3.270 1.00 0.00 H new ATOM 1349 N CYS A 90 -3.774 2.624 -2.954 1.00 0.00 N ATOM 1350 CA CYS A 90 -2.796 3.585 -2.457 1.00 0.00 C ATOM 1351 C CYS A 90 -3.409 4.978 -2.349 1.00 0.00 C ATOM 1352 O CYS A 90 -3.272 5.799 -3.255 1.00 0.00 O ATOM 1353 CB CYS A 90 -1.574 3.622 -3.375 1.00 0.00 C ATOM 1354 SG CYS A 90 -0.062 4.198 -2.569 1.00 0.00 S ATOM 0 H CYS A 90 -4.596 3.045 -3.386 1.00 0.00 H new ATOM 0 HA CYS A 90 -2.484 3.267 -1.462 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.402 2.622 -3.774 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -1.790 4.271 -4.224 1.00 0.00 H new ATOM 0 HG CYS A 90 0.916 4.192 -3.426 1.00 0.00 H new ATOM 1360 N MET A 91 -4.086 5.236 -1.234 1.00 0.00 N ATOM 1361 CA MET A 91 -4.720 6.530 -1.008 1.00 0.00 C ATOM 1362 C MET A 91 -3.733 7.519 -0.397 1.00 0.00 C ATOM 1363 O MET A 91 -3.112 7.237 0.629 1.00 0.00 O ATOM 1364 CB MET A 91 -5.936 6.373 -0.094 1.00 0.00 C ATOM 1365 CG MET A 91 -6.874 5.254 -0.517 1.00 0.00 C ATOM 1366 SD MET A 91 -8.574 5.536 0.014 1.00 0.00 S ATOM 1367 CE MET A 91 -8.713 4.351 1.350 1.00 0.00 C ATOM 0 H MET A 91 -4.209 4.567 -0.474 1.00 0.00 H new ATOM 0 HA MET A 91 -5.048 6.920 -1.972 1.00 0.00 H new ATOM 0 HB2 MET A 91 -5.593 6.184 0.923 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.489 7.312 -0.075 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.848 5.154 -1.602 1.00 0.00 H new ATOM 0 HG3 MET A 91 -6.519 4.311 -0.101 1.00 0.00 H new ATOM 0 HE1 MET A 91 -9.712 4.405 1.782 1.00 0.00 H new ATOM 0 HE2 MET A 91 -8.538 3.346 0.965 1.00 0.00 H new ATOM 0 HE3 MET A 91 -7.973 4.579 2.117 1.00 0.00 H new ATOM 1377 N CYS A 92 -3.595 8.678 -1.031 1.00 0.00 N ATOM 1378 CA CYS A 92 -2.682 9.709 -0.549 1.00 0.00 C ATOM 1379 C CYS A 92 -3.421 11.023 -0.316 1.00 0.00 C ATOM 1380 O CYS A 92 -3.651 11.791 -1.249 1.00 0.00 O ATOM 1381 CB CYS A 92 -1.544 9.920 -1.549 1.00 0.00 C ATOM 1382 SG CYS A 92 -0.391 11.234 -1.088 1.00 0.00 S ATOM 0 H CYS A 92 -4.103 8.928 -1.879 1.00 0.00 H new ATOM 0 HA CYS A 92 -2.264 9.375 0.400 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -0.991 8.987 -1.656 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -1.970 10.151 -2.525 1.00 0.00 H new ATOM 0 HG CYS A 92 0.672 10.711 -0.554 1.00 0.00 H new ATOM 1388 N GLY A 93 -3.792 11.274 0.936 1.00 0.00 N ATOM 1389 CA GLY A 93 -4.503 12.494 1.268 1.00 0.00 C ATOM 1390 C GLY A 93 -5.943 12.473 0.799 1.00 0.00 C ATOM 1391 O GLY A 93 -6.850 12.149 1.566 1.00 0.00 O ATOM 0 H GLY A 93 -3.613 10.654 1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.478 12.643 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -3.990 13.344 0.817 1.00 0.00 H new ATOM 1395 N LYS A 94 -6.157 12.820 -0.466 1.00 0.00 N ATOM 1396 CA LYS A 94 -7.498 12.840 -1.039 1.00 0.00 C ATOM 1397 C LYS A 94 -7.601 11.875 -2.216 1.00 0.00 C ATOM 1398 O LYS A 94 -8.573 11.130 -2.335 1.00 0.00 O ATOM 1399 CB LYS A 94 -7.860 14.256 -1.492 1.00 0.00 C ATOM 1400 CG LYS A 94 -9.078 14.828 -0.787 1.00 0.00 C ATOM 1401 CD LYS A 94 -8.680 15.700 0.392 1.00 0.00 C ATOM 1402 CE LYS A 94 -9.240 15.159 1.699 1.00 0.00 C ATOM 1403 NZ LYS A 94 -8.306 15.384 2.838 1.00 0.00 N ATOM 0 H LYS A 94 -5.418 13.091 -1.114 1.00 0.00 H new ATOM 0 HA LYS A 94 -8.200 12.521 -0.269 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.008 14.913 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.043 14.249 -2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -9.666 15.415 -1.493 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.715 14.014 -0.440 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.593 15.754 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -9.041 16.716 0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.195 15.640 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.437 14.092 1.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -8.724 15.001 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.403 14.904 2.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -8.138 16.404 2.953 1.00 0.00 H new ATOM 1417 N GLU A 95 -6.593 11.896 -3.082 1.00 0.00 N ATOM 1418 CA GLU A 95 -6.572 11.022 -4.249 1.00 0.00 C ATOM 1419 C GLU A 95 -6.277 9.580 -3.845 1.00 0.00 C ATOM 1420 O GLU A 95 -5.838 9.316 -2.725 1.00 0.00 O ATOM 1421 CB GLU A 95 -5.526 11.505 -5.256 1.00 0.00 C ATOM 1422 CG GLU A 95 -6.059 12.529 -6.244 1.00 0.00 C ATOM 1423 CD GLU A 95 -6.768 13.683 -5.562 1.00 0.00 C ATOM 1424 OE1 GLU A 95 -6.094 14.679 -5.227 1.00 0.00 O ATOM 1425 OE2 GLU A 95 -7.997 13.589 -5.364 1.00 0.00 O ATOM 0 H GLU A 95 -5.781 12.508 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 95 -7.557 11.056 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -4.686 11.939 -4.714 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -5.141 10.647 -5.807 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -5.233 12.916 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -6.748 12.040 -6.932 1.00 0.00 H new ATOM 1432 N ARG A 96 -6.523 8.652 -4.763 1.00 0.00 N ATOM 1433 CA ARG A 96 -6.286 7.238 -4.502 1.00 0.00 C ATOM 1434 C ARG A 96 -6.140 6.461 -5.808 1.00 0.00 C ATOM 1435 O ARG A 96 -6.943 6.615 -6.728 1.00 0.00 O ATOM 1436 CB ARG A 96 -7.430 6.652 -3.673 1.00 0.00 C ATOM 1437 CG ARG A 96 -8.807 6.934 -4.250 1.00 0.00 C ATOM 1438 CD ARG A 96 -9.616 5.657 -4.414 1.00 0.00 C ATOM 1439 NE ARG A 96 -10.456 5.691 -5.608 1.00 0.00 N ATOM 1440 CZ ARG A 96 -10.978 4.607 -6.170 1.00 0.00 C ATOM 1441 NH1 ARG A 96 -10.747 3.409 -5.650 1.00 0.00 N ATOM 1442 NH2 ARG A 96 -11.733 4.719 -7.256 1.00 0.00 N ATOM 0 H ARG A 96 -6.886 8.854 -5.694 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.356 7.149 -3.940 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -7.293 5.574 -3.592 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -7.379 7.057 -2.662 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -9.342 7.623 -3.597 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -8.703 7.427 -5.217 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -8.940 4.804 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -10.242 5.509 -3.534 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.653 6.597 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -10.167 3.318 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -11.149 2.578 -6.084 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.913 5.638 -7.660 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.133 3.886 -7.687 1.00 0.00 H new ATOM 1456 N THR A 97 -5.109 5.625 -5.881 1.00 0.00 N ATOM 1457 CA THR A 97 -4.856 4.826 -7.074 1.00 0.00 C ATOM 1458 C THR A 97 -4.751 3.344 -6.730 1.00 0.00 C ATOM 1459 O THR A 97 -4.127 2.970 -5.737 1.00 0.00 O ATOM 1460 CB THR A 97 -3.563 5.270 -7.784 1.00 0.00 C ATOM 1461 OG1 THR A 97 -3.436 4.591 -9.038 1.00 0.00 O ATOM 1462 CG2 THR A 97 -2.345 4.982 -6.920 1.00 0.00 C ATOM 0 H THR A 97 -4.436 5.484 -5.128 1.00 0.00 H new ATOM 0 HA THR A 97 -5.701 4.982 -7.745 1.00 0.00 H new ATOM 0 HB THR A 97 -3.620 6.345 -7.957 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.608 4.067 -9.044 1.00 0.00 H new ATOM 0 HG21 THR A 97 -1.444 5.304 -7.442 1.00 0.00 H new ATOM 0 HG22 THR A 97 -2.431 5.523 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 97 -2.286 3.912 -6.720 1.00 0.00 H new ATOM 1470 N SER A 98 -5.365 2.505 -7.558 1.00 0.00 N ATOM 1471 CA SER A 98 -5.342 1.063 -7.340 1.00 0.00 C ATOM 1472 C SER A 98 -4.767 0.339 -8.553 1.00 0.00 C ATOM 1473 O SER A 98 -4.752 0.875 -9.660 1.00 0.00 O ATOM 1474 CB SER A 98 -6.753 0.549 -7.046 1.00 0.00 C ATOM 1475 OG SER A 98 -7.653 1.622 -6.833 1.00 0.00 O ATOM 0 H SER A 98 -5.884 2.798 -8.385 1.00 0.00 H new ATOM 0 HA SER A 98 -4.702 0.860 -6.481 1.00 0.00 H new ATOM 0 HB2 SER A 98 -7.102 -0.062 -7.879 1.00 0.00 H new ATOM 0 HB3 SER A 98 -6.733 -0.093 -6.166 1.00 0.00 H new ATOM 0 HG SER A 98 -8.548 1.267 -6.649 1.00 0.00 H new ATOM 1481 N ALA A 99 -4.294 -0.884 -8.335 1.00 0.00 N ATOM 1482 CA ALA A 99 -3.719 -1.684 -9.410 1.00 0.00 C ATOM 1483 C ALA A 99 -4.070 -3.158 -9.244 1.00 0.00 C ATOM 1484 O ALA A 99 -4.737 -3.543 -8.285 1.00 0.00 O ATOM 1485 CB ALA A 99 -2.210 -1.500 -9.455 1.00 0.00 C ATOM 0 H ALA A 99 -4.298 -1.342 -7.424 1.00 0.00 H new ATOM 0 HA ALA A 99 -4.144 -1.340 -10.353 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -1.794 -2.103 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.977 -0.450 -9.629 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.777 -1.815 -8.506 1.00 0.00 H new ATOM 1491 N MET A 100 -3.617 -3.979 -10.186 1.00 0.00 N ATOM 1492 CA MET A 100 -3.883 -5.412 -10.144 1.00 0.00 C ATOM 1493 C MET A 100 -2.581 -6.206 -10.115 1.00 0.00 C ATOM 1494 O MET A 100 -1.795 -6.164 -11.062 1.00 0.00 O ATOM 1495 CB MET A 100 -4.723 -5.833 -11.351 1.00 0.00 C ATOM 1496 CG MET A 100 -6.220 -5.688 -11.130 1.00 0.00 C ATOM 1497 SD MET A 100 -7.099 -7.255 -11.282 1.00 0.00 S ATOM 1498 CE MET A 100 -6.479 -8.132 -9.849 1.00 0.00 C ATOM 0 H MET A 100 -3.064 -3.676 -10.988 1.00 0.00 H new ATOM 0 HA MET A 100 -4.439 -5.626 -9.231 1.00 0.00 H new ATOM 0 HB2 MET A 100 -4.432 -5.233 -12.213 1.00 0.00 H new ATOM 0 HB3 MET A 100 -4.499 -6.871 -11.595 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.398 -5.270 -10.139 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.623 -4.978 -11.852 1.00 0.00 H new ATOM 0 HE1 MET A 100 -6.904 -9.135 -9.824 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.393 -8.200 -9.906 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.762 -7.595 -8.943 1.00 0.00 H new ATOM 1508 N LEU A 101 -2.358 -6.929 -9.022 1.00 0.00 N ATOM 1509 CA LEU A 101 -1.151 -7.733 -8.870 1.00 0.00 C ATOM 1510 C LEU A 101 -1.429 -9.199 -9.183 1.00 0.00 C ATOM 1511 O LEU A 101 -2.452 -9.750 -8.774 1.00 0.00 O ATOM 1512 CB LEU A 101 -0.601 -7.599 -7.448 1.00 0.00 C ATOM 1513 CG LEU A 101 0.787 -8.191 -7.207 1.00 0.00 C ATOM 1514 CD1 LEU A 101 1.867 -7.241 -7.702 1.00 0.00 C ATOM 1515 CD2 LEU A 101 0.985 -8.503 -5.730 1.00 0.00 C ATOM 0 H LEU A 101 -2.998 -6.974 -8.229 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.408 -7.365 -9.577 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.572 -6.541 -7.189 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -1.301 -8.076 -6.763 1.00 0.00 H new ATOM 0 HG LEU A 101 0.866 -9.122 -7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.848 -7.680 -7.522 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.738 -7.068 -8.770 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.790 -6.293 -7.169 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.979 -8.924 -5.577 1.00 0.00 H new ATOM 0 HD22 LEU A 101 0.885 -7.587 -5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 101 0.233 -9.222 -5.406 1.00 0.00 H new ATOM 1527 N THR A 102 -0.511 -9.828 -9.911 1.00 0.00 N ATOM 1528 CA THR A 102 -0.657 -11.231 -10.278 1.00 0.00 C ATOM 1529 C THR A 102 0.508 -12.061 -9.753 1.00 0.00 C ATOM 1530 O THR A 102 1.661 -11.632 -9.801 1.00 0.00 O ATOM 1531 CB THR A 102 -0.749 -11.405 -11.806 1.00 0.00 C ATOM 1532 OG1 THR A 102 -1.860 -10.660 -12.318 1.00 0.00 O ATOM 1533 CG2 THR A 102 -0.901 -12.872 -12.176 1.00 0.00 C ATOM 0 H THR A 102 0.341 -9.388 -10.258 1.00 0.00 H new ATOM 0 HA THR A 102 -1.583 -11.582 -9.823 1.00 0.00 H new ATOM 0 HB THR A 102 0.174 -11.030 -12.248 1.00 0.00 H new ATOM 0 HG1 THR A 102 -1.911 -10.774 -13.290 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.964 -12.969 -13.260 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.039 -13.431 -11.811 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.809 -13.269 -11.723 1.00 0.00 H new ATOM 1541 N VAL A 103 0.201 -13.253 -9.251 1.00 0.00 N ATOM 1542 CA VAL A 103 1.223 -14.145 -8.718 1.00 0.00 C ATOM 1543 C VAL A 103 1.208 -15.490 -9.436 1.00 0.00 C ATOM 1544 O VAL A 103 0.334 -16.323 -9.196 1.00 0.00 O ATOM 1545 CB VAL A 103 1.032 -14.379 -7.208 1.00 0.00 C ATOM 1546 CG1 VAL A 103 2.112 -15.305 -6.670 1.00 0.00 C ATOM 1547 CG2 VAL A 103 1.032 -13.055 -6.459 1.00 0.00 C ATOM 0 H VAL A 103 -0.748 -13.623 -9.202 1.00 0.00 H new ATOM 0 HA VAL A 103 2.184 -13.659 -8.884 1.00 0.00 H new ATOM 0 HB VAL A 103 0.065 -14.858 -7.052 1.00 0.00 H new ATOM 0 HG11 VAL A 103 1.961 -15.459 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.059 -16.264 -7.186 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.092 -14.857 -6.837 1.00 0.00 H new ATOM 0 HG21 VAL A 103 0.896 -13.240 -5.393 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.982 -12.546 -6.621 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.218 -12.430 -6.826 1.00 0.00 H new ATOM 1557 N ARG A 104 2.182 -15.696 -10.317 1.00 0.00 N ATOM 1558 CA ARG A 104 2.280 -16.940 -11.070 1.00 0.00 C ATOM 1559 C ARG A 104 2.611 -18.110 -10.148 1.00 0.00 C ATOM 1560 O ARG A 104 2.666 -17.955 -8.928 1.00 0.00 O ATOM 1561 CB ARG A 104 3.347 -16.818 -12.159 1.00 0.00 C ATOM 1562 CG ARG A 104 3.078 -15.701 -13.154 1.00 0.00 C ATOM 1563 CD ARG A 104 3.244 -16.179 -14.588 1.00 0.00 C ATOM 1564 NE ARG A 104 4.559 -16.770 -14.819 1.00 0.00 N ATOM 1565 CZ ARG A 104 4.878 -17.448 -15.916 1.00 0.00 C ATOM 1566 NH1 ARG A 104 3.981 -17.619 -16.878 1.00 0.00 N ATOM 1567 NH2 ARG A 104 6.096 -17.956 -16.054 1.00 0.00 N ATOM 0 H ARG A 104 2.914 -15.017 -10.526 1.00 0.00 H new ATOM 0 HA ARG A 104 1.313 -17.130 -11.536 1.00 0.00 H new ATOM 0 HB2 ARG A 104 4.316 -16.649 -11.689 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.415 -17.764 -12.697 1.00 0.00 H new ATOM 0 HG2 ARG A 104 2.066 -15.321 -13.011 1.00 0.00 H new ATOM 0 HG3 ARG A 104 3.760 -14.872 -12.965 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.471 -16.913 -14.817 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.099 -15.340 -15.269 1.00 0.00 H new ATOM 0 HE ARG A 104 5.272 -16.656 -14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 104 3.044 -17.230 -16.776 1.00 0.00 H new ATOM 0 HH12 ARG A 104 4.228 -18.140 -17.719 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.789 -17.826 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.339 -18.476 -16.897 1.00 0.00 H new ATOM 1581 N ALA A 105 2.828 -19.280 -10.739 1.00 0.00 N ATOM 1582 CA ALA A 105 3.154 -20.475 -9.971 1.00 0.00 C ATOM 1583 C ALA A 105 4.594 -20.910 -10.219 1.00 0.00 C ATOM 1584 O ALA A 105 5.113 -20.770 -11.326 1.00 0.00 O ATOM 1585 CB ALA A 105 2.193 -21.603 -10.317 1.00 0.00 C ATOM 0 H ALA A 105 2.784 -19.426 -11.748 1.00 0.00 H new ATOM 0 HA ALA A 105 3.051 -20.236 -8.912 1.00 0.00 H new ATOM 0 HB1 ALA A 105 2.448 -22.489 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 105 1.173 -21.297 -10.083 1.00 0.00 H new ATOM 0 HB3 ALA A 105 2.268 -21.832 -11.380 1.00 0.00 H new ATOM 1591 N MET A 106 5.235 -21.439 -9.181 1.00 0.00 N ATOM 1592 CA MET A 106 6.616 -21.895 -9.287 1.00 0.00 C ATOM 1593 C MET A 106 6.782 -22.857 -10.459 1.00 0.00 C ATOM 1594 O MET A 106 5.817 -23.439 -10.957 1.00 0.00 O ATOM 1595 CB MET A 106 7.052 -22.575 -7.988 1.00 0.00 C ATOM 1596 CG MET A 106 7.678 -21.621 -6.983 1.00 0.00 C ATOM 1597 SD MET A 106 7.161 -21.960 -5.290 1.00 0.00 S ATOM 1598 CE MET A 106 7.857 -23.591 -5.042 1.00 0.00 C ATOM 0 H MET A 106 4.820 -21.562 -8.257 1.00 0.00 H new ATOM 0 HA MET A 106 7.248 -21.024 -9.462 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.187 -23.055 -7.531 1.00 0.00 H new ATOM 0 HB3 MET A 106 7.767 -23.363 -8.222 1.00 0.00 H new ATOM 0 HG2 MET A 106 8.764 -21.692 -7.048 1.00 0.00 H new ATOM 0 HG3 MET A 106 7.409 -20.597 -7.243 1.00 0.00 H new ATOM 0 HE1 MET A 106 7.651 -23.923 -4.024 1.00 0.00 H new ATOM 0 HE2 MET A 106 7.409 -24.289 -5.749 1.00 0.00 H new ATOM 0 HE3 MET A 106 8.935 -23.555 -5.201 1.00 0.00 H new ATOM 1608 N PRO A 107 8.032 -23.030 -10.912 1.00 0.00 N ATOM 1609 CA PRO A 107 8.353 -23.922 -12.030 1.00 0.00 C ATOM 1610 C PRO A 107 8.176 -25.393 -11.669 1.00 0.00 C ATOM 1611 O PRO A 107 8.258 -26.268 -12.530 1.00 0.00 O ATOM 1612 CB PRO A 107 9.826 -23.616 -12.317 1.00 0.00 C ATOM 1613 CG PRO A 107 10.364 -23.103 -11.026 1.00 0.00 C ATOM 1614 CD PRO A 107 9.230 -22.370 -10.366 1.00 0.00 C ATOM 0 HA PRO A 107 7.695 -23.758 -12.883 1.00 0.00 H new ATOM 0 HB2 PRO A 107 10.360 -24.509 -12.642 1.00 0.00 H new ATOM 0 HB3 PRO A 107 9.929 -22.876 -13.111 1.00 0.00 H new ATOM 0 HG2 PRO A 107 10.718 -23.921 -10.398 1.00 0.00 H new ATOM 0 HG3 PRO A 107 11.213 -22.440 -11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 107 9.275 -22.454 -9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 107 9.246 -21.306 -10.604 1.00 0.00 H new