USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 722 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 65 ASN : amide:sc= -1.49 X(o=-5.3,f=-5.3!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -3.81 K(o=-5.3,f=-9.6!) USER MOD Set 2.1: A 45 THR OG1 : rot -82:sc= 0.223 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.484! K(o=-0.26!,f=-1.9) USER MOD Set 3.1: A 83 TYR OH : rot 180:sc= -0.104 USER MOD Set 3.2: A 101 TYR OH : rot -56:sc= 0.57 USER MOD Single : A 21 THR OG1 : rot 29:sc= 0.296 USER MOD Single : A 22 SER OG : rot 180:sc= 0.00217 USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= -0.0118 (180deg=-0.15) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 110:sc= -2.4 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 120:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.345 X(o=-0.35,f=-0.46) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 123:sc= 0.293 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 150:sc= -0.0718 USER MOD Single : A 73 CYS SG : rot 180:sc= -2.87 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.735 K(o=-0.74,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot -168:sc= 1.06 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 39:sc= 0.493 USER MOD Single : A 108 ASN : amide:sc= -0.36 K(o=-0.36,f=0.35) USER MOD Single : A 109 SER OG : rot 17:sc= 1.27 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N VAL A 19 0.799 20.415 1.980 1.00 0.00 N ATOM 245 CA VAL A 19 1.388 19.566 0.952 1.00 0.00 C ATOM 246 C VAL A 19 0.333 19.100 -0.046 1.00 0.00 C ATOM 247 O VAL A 19 -0.853 19.030 0.277 1.00 0.00 O ATOM 248 CB VAL A 19 2.077 18.334 1.567 1.00 0.00 C ATOM 249 CG1 VAL A 19 1.042 17.354 2.100 1.00 0.00 C ATOM 250 CG2 VAL A 19 2.982 17.664 0.545 1.00 0.00 C ATOM 0 HA VAL A 19 2.134 20.168 0.434 1.00 0.00 H new ATOM 0 HB VAL A 19 2.694 18.664 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.547 16.490 2.531 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.440 17.842 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.396 17.028 1.285 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.461 16.795 0.997 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.389 17.346 -0.313 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.746 18.369 0.217 1.00 0.00 H new ATOM 260 N ASP A 20 0.774 18.781 -1.258 1.00 0.00 N ATOM 261 CA ASP A 20 -0.132 18.319 -2.303 1.00 0.00 C ATOM 262 C ASP A 20 -0.373 16.817 -2.189 1.00 0.00 C ATOM 263 O ASP A 20 -1.501 16.372 -1.977 1.00 0.00 O ATOM 264 CB ASP A 20 0.435 18.654 -3.684 1.00 0.00 C ATOM 265 CG ASP A 20 0.619 20.144 -3.888 1.00 0.00 C ATOM 266 OD1 ASP A 20 -0.328 20.904 -3.596 1.00 0.00 O ATOM 267 OD2 ASP A 20 1.709 20.552 -4.341 1.00 0.00 O ATOM 0 H ASP A 20 1.753 18.834 -1.541 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.085 18.832 -2.176 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.394 18.152 -3.811 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.233 18.265 -4.452 1.00 0.00 H new ATOM 272 N THR A 21 0.696 16.039 -2.332 1.00 0.00 N ATOM 273 CA THR A 21 0.601 14.587 -2.247 1.00 0.00 C ATOM 274 C THR A 21 -0.634 14.073 -2.978 1.00 0.00 C ATOM 275 O THR A 21 -1.322 13.172 -2.497 1.00 0.00 O ATOM 276 CB THR A 21 0.552 14.112 -0.782 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.428 14.863 -0.056 1.00 0.00 O ATOM 278 CG2 THR A 21 1.911 14.266 -0.117 1.00 0.00 C ATOM 0 H THR A 21 1.637 16.391 -2.507 1.00 0.00 H new ATOM 0 HA THR A 21 1.495 14.183 -2.722 1.00 0.00 H new ATOM 0 HB THR A 21 0.279 13.057 -0.775 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.139 15.149 -0.667 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.851 13.924 0.916 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.649 13.670 -0.654 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.209 15.314 -0.136 1.00 0.00 H new ATOM 286 N SER A 22 -0.910 14.651 -4.143 1.00 0.00 N ATOM 287 CA SER A 22 -2.065 14.253 -4.939 1.00 0.00 C ATOM 288 C SER A 22 -1.625 13.545 -6.217 1.00 0.00 C ATOM 289 O SER A 22 -2.434 12.915 -6.900 1.00 0.00 O ATOM 290 CB SER A 22 -2.917 15.475 -5.287 1.00 0.00 C ATOM 291 OG SER A 22 -2.124 16.647 -5.354 1.00 0.00 O ATOM 0 H SER A 22 -0.350 15.396 -4.556 1.00 0.00 H new ATOM 0 HA SER A 22 -2.662 13.560 -4.347 1.00 0.00 H new ATOM 0 HB2 SER A 22 -3.416 15.314 -6.243 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.698 15.603 -4.538 1.00 0.00 H new ATOM 0 HG SER A 22 -2.691 17.413 -5.580 1.00 0.00 H new ATOM 297 N ARG A 23 -0.339 13.652 -6.533 1.00 0.00 N ATOM 298 CA ARG A 23 0.209 13.024 -7.729 1.00 0.00 C ATOM 299 C ARG A 23 1.243 11.964 -7.362 1.00 0.00 C ATOM 300 O ARG A 23 2.212 11.749 -8.091 1.00 0.00 O ATOM 301 CB ARG A 23 0.843 14.077 -8.639 1.00 0.00 C ATOM 302 CG ARG A 23 -0.120 15.173 -9.067 1.00 0.00 C ATOM 303 CD ARG A 23 0.621 16.435 -9.482 1.00 0.00 C ATOM 304 NE ARG A 23 1.207 16.313 -10.814 1.00 0.00 N ATOM 305 CZ ARG A 23 2.016 17.222 -11.347 1.00 0.00 C ATOM 306 NH1 ARG A 23 2.332 18.314 -10.665 1.00 0.00 N ATOM 307 NH2 ARG A 23 2.509 17.040 -12.565 1.00 0.00 N ATOM 0 H ARG A 23 0.343 14.168 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.609 12.539 -8.261 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.689 14.530 -8.122 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.239 13.586 -9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.731 14.819 -9.897 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.800 15.402 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.066 17.281 -9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.408 16.648 -8.758 1.00 0.00 H new ATOM 0 HE ARG A 23 0.983 15.485 -11.365 1.00 0.00 H new ATOM 0 HH11 ARG A 23 1.954 18.458 -9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 23 2.953 19.010 -11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.267 16.202 -13.093 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.130 17.738 -12.973 1.00 0.00 H new ATOM 321 N ILE A 24 1.031 11.306 -6.227 1.00 0.00 N ATOM 322 CA ILE A 24 1.944 10.269 -5.763 1.00 0.00 C ATOM 323 C ILE A 24 1.633 8.929 -6.421 1.00 0.00 C ATOM 324 O ILE A 24 0.485 8.485 -6.441 1.00 0.00 O ATOM 325 CB ILE A 24 1.879 10.105 -4.233 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.475 11.332 -3.541 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.609 8.841 -3.805 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.575 11.188 -2.038 1.00 0.00 C ATOM 0 H ILE A 24 0.235 11.473 -5.612 1.00 0.00 H new ATOM 0 HA ILE A 24 2.949 10.584 -6.044 1.00 0.00 H new ATOM 0 HB ILE A 24 0.834 10.016 -3.935 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.469 11.521 -3.947 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.864 12.204 -3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.554 8.739 -2.721 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.143 7.975 -4.275 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.653 8.902 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.006 12.095 -1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.581 11.029 -1.621 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.210 10.336 -1.796 1.00 0.00 H new ATOM 340 N LYS A 25 2.665 8.287 -6.959 1.00 0.00 N ATOM 341 CA LYS A 25 2.505 6.995 -7.615 1.00 0.00 C ATOM 342 C LYS A 25 3.366 5.931 -6.941 1.00 0.00 C ATOM 343 O LYS A 25 4.569 6.117 -6.759 1.00 0.00 O ATOM 344 CB LYS A 25 2.875 7.103 -9.096 1.00 0.00 C ATOM 345 CG LYS A 25 1.725 7.557 -9.979 1.00 0.00 C ATOM 346 CD LYS A 25 2.033 7.338 -11.451 1.00 0.00 C ATOM 347 CE LYS A 25 1.581 5.962 -11.916 1.00 0.00 C ATOM 348 NZ LYS A 25 0.098 5.870 -12.017 1.00 0.00 N ATOM 0 H LYS A 25 3.622 8.641 -6.953 1.00 0.00 H new ATOM 0 HA LYS A 25 1.460 6.699 -7.528 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.704 7.803 -9.205 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.229 6.133 -9.445 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.821 7.011 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.524 8.613 -9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.537 8.105 -12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.104 7.447 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.025 5.743 -12.887 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.945 5.206 -11.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.160 5.046 -12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.309 5.766 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.274 6.734 -12.460 1.00 0.00 H new ATOM 362 N VAL A 26 2.742 4.816 -6.575 1.00 0.00 N ATOM 363 CA VAL A 26 3.452 3.722 -5.923 1.00 0.00 C ATOM 364 C VAL A 26 3.408 2.456 -6.772 1.00 0.00 C ATOM 365 O VAL A 26 2.333 1.965 -7.117 1.00 0.00 O ATOM 366 CB VAL A 26 2.861 3.417 -4.534 1.00 0.00 C ATOM 367 CG1 VAL A 26 3.093 4.584 -3.587 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.378 3.097 -4.646 1.00 0.00 C ATOM 0 H VAL A 26 1.747 4.646 -6.719 1.00 0.00 H new ATOM 0 HA VAL A 26 4.487 4.042 -5.806 1.00 0.00 H new ATOM 0 HB VAL A 26 3.369 2.543 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.669 4.350 -2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.163 4.762 -3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.613 5.478 -3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.976 2.884 -3.656 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.853 3.951 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.241 2.227 -5.288 1.00 0.00 H new ATOM 378 N PHE A 27 4.583 1.932 -7.104 1.00 0.00 N ATOM 379 CA PHE A 27 4.679 0.722 -7.913 1.00 0.00 C ATOM 380 C PHE A 27 5.508 -0.343 -7.202 1.00 0.00 C ATOM 381 O PHE A 27 6.511 -0.038 -6.558 1.00 0.00 O ATOM 382 CB PHE A 27 5.298 1.042 -9.275 1.00 0.00 C ATOM 383 CG PHE A 27 6.433 2.023 -9.202 1.00 0.00 C ATOM 384 CD1 PHE A 27 6.196 3.385 -9.298 1.00 0.00 C ATOM 385 CD2 PHE A 27 7.737 1.583 -9.038 1.00 0.00 C ATOM 386 CE1 PHE A 27 7.238 4.290 -9.231 1.00 0.00 C ATOM 387 CE2 PHE A 27 8.783 2.484 -8.969 1.00 0.00 C ATOM 388 CZ PHE A 27 8.533 3.839 -9.067 1.00 0.00 C ATOM 0 H PHE A 27 5.482 2.326 -6.826 1.00 0.00 H new ATOM 0 HA PHE A 27 3.672 0.333 -8.062 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.656 0.118 -9.729 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.525 1.441 -9.932 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.185 3.743 -9.427 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.938 0.525 -8.963 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.040 5.349 -9.307 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.795 2.129 -8.839 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.349 4.545 -9.015 1.00 0.00 H new ATOM 398 N GLY A 28 5.080 -1.597 -7.324 1.00 0.00 N ATOM 399 CA GLY A 28 5.793 -2.689 -6.687 1.00 0.00 C ATOM 400 C GLY A 28 4.863 -3.778 -6.192 1.00 0.00 C ATOM 401 O GLY A 28 3.650 -3.591 -6.093 1.00 0.00 O ATOM 0 H GLY A 28 4.253 -1.875 -7.852 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.504 -3.116 -7.394 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.372 -2.301 -5.849 1.00 0.00 H new ATOM 405 N PRO A 29 5.434 -4.949 -5.872 1.00 0.00 N ATOM 406 CA PRO A 29 4.665 -6.096 -5.380 1.00 0.00 C ATOM 407 C PRO A 29 4.117 -5.867 -3.975 1.00 0.00 C ATOM 408 O PRO A 29 3.029 -6.333 -3.640 1.00 0.00 O ATOM 409 CB PRO A 29 5.689 -7.234 -5.376 1.00 0.00 C ATOM 410 CG PRO A 29 7.009 -6.555 -5.243 1.00 0.00 C ATOM 411 CD PRO A 29 6.874 -5.243 -5.965 1.00 0.00 C ATOM 0 HA PRO A 29 3.789 -6.295 -5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.513 -7.922 -4.549 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.635 -7.818 -6.295 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.264 -6.399 -4.195 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.805 -7.160 -5.678 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.474 -4.463 -5.497 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.202 -5.319 -7.002 1.00 0.00 H new ATOM 419 N GLY A 30 4.879 -5.147 -3.158 1.00 0.00 N ATOM 420 CA GLY A 30 4.452 -4.869 -1.799 1.00 0.00 C ATOM 421 C GLY A 30 3.146 -4.102 -1.747 1.00 0.00 C ATOM 422 O GLY A 30 2.428 -4.152 -0.747 1.00 0.00 O ATOM 0 H GLY A 30 5.784 -4.751 -3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.340 -5.808 -1.257 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.226 -4.297 -1.288 1.00 0.00 H new ATOM 426 N ILE A 31 2.836 -3.390 -2.825 1.00 0.00 N ATOM 427 CA ILE A 31 1.607 -2.609 -2.897 1.00 0.00 C ATOM 428 C ILE A 31 0.620 -3.226 -3.882 1.00 0.00 C ATOM 429 O ILE A 31 -0.588 -3.019 -3.776 1.00 0.00 O ATOM 430 CB ILE A 31 1.889 -1.153 -3.315 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.670 -0.273 -3.032 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.265 -1.089 -4.788 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.417 -0.047 -1.558 1.00 0.00 C ATOM 0 H ILE A 31 3.419 -3.338 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 31 1.171 -2.614 -1.898 1.00 0.00 H new ATOM 0 HB ILE A 31 2.728 -0.778 -2.729 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.807 0.692 -3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.212 -0.734 -3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.461 -0.054 -5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.159 -1.688 -4.962 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.444 -1.479 -5.390 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.462 0.585 -1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.248 -1.005 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.283 0.442 -1.111 1.00 0.00 H new ATOM 445 N GLU A 32 1.144 -3.988 -4.838 1.00 0.00 N ATOM 446 CA GLU A 32 0.308 -4.637 -5.841 1.00 0.00 C ATOM 447 C GLU A 32 -0.223 -5.971 -5.325 1.00 0.00 C ATOM 448 O GLU A 32 -1.417 -6.253 -5.415 1.00 0.00 O ATOM 449 CB GLU A 32 1.099 -4.854 -7.132 1.00 0.00 C ATOM 450 CG GLU A 32 1.445 -3.565 -7.858 1.00 0.00 C ATOM 451 CD GLU A 32 0.350 -3.116 -8.805 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.834 -3.388 -8.515 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.676 -2.493 -9.837 1.00 0.00 O ATOM 0 H GLU A 32 2.142 -4.171 -4.939 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.540 -3.985 -6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.020 -5.388 -6.898 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.521 -5.493 -7.799 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.632 -2.779 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.370 -3.705 -8.418 1.00 0.00 H new ATOM 460 N GLY A 33 0.675 -6.790 -4.785 1.00 0.00 N ATOM 461 CA GLY A 33 0.279 -8.085 -4.264 1.00 0.00 C ATOM 462 C GLY A 33 0.765 -9.231 -5.128 1.00 0.00 C ATOM 463 O GLY A 33 0.009 -10.156 -5.430 1.00 0.00 O ATOM 0 H GLY A 33 1.669 -6.579 -4.699 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.673 -8.203 -3.255 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.808 -8.126 -4.189 1.00 0.00 H new ATOM 467 N LYS A 34 2.030 -9.172 -5.531 1.00 0.00 N ATOM 468 CA LYS A 34 2.617 -10.212 -6.367 1.00 0.00 C ATOM 469 C LYS A 34 3.425 -11.195 -5.526 1.00 0.00 C ATOM 470 O LYS A 34 3.024 -12.344 -5.341 1.00 0.00 O ATOM 471 CB LYS A 34 3.511 -9.588 -7.441 1.00 0.00 C ATOM 472 CG LYS A 34 2.896 -8.374 -8.115 1.00 0.00 C ATOM 473 CD LYS A 34 1.636 -8.740 -8.881 1.00 0.00 C ATOM 474 CE LYS A 34 1.954 -9.155 -10.310 1.00 0.00 C ATOM 475 NZ LYS A 34 0.950 -10.116 -10.845 1.00 0.00 N ATOM 0 H LYS A 34 2.669 -8.414 -5.292 1.00 0.00 H new ATOM 0 HA LYS A 34 1.805 -10.756 -6.850 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.460 -9.300 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.733 -10.340 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.660 -7.620 -7.364 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.621 -7.929 -8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.122 -9.554 -8.370 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.955 -7.889 -8.891 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.985 -8.271 -10.947 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.945 -9.608 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.202 -10.374 -11.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.938 -10.971 -10.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.008 -9.675 -10.836 1.00 0.00 H new ATOM 489 N ASP A 35 4.563 -10.735 -5.017 1.00 0.00 N ATOM 490 CA ASP A 35 5.426 -11.573 -4.193 1.00 0.00 C ATOM 491 C ASP A 35 5.260 -11.235 -2.715 1.00 0.00 C ATOM 492 O ASP A 35 6.202 -11.355 -1.930 1.00 0.00 O ATOM 493 CB ASP A 35 6.888 -11.400 -4.608 1.00 0.00 C ATOM 494 CG ASP A 35 7.072 -11.445 -6.112 1.00 0.00 C ATOM 495 OD1 ASP A 35 7.171 -12.560 -6.665 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.117 -10.364 -6.737 1.00 0.00 O ATOM 0 H ASP A 35 4.909 -9.786 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 35 5.134 -12.612 -4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.261 -10.449 -4.228 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.489 -12.185 -4.148 1.00 0.00 H new ATOM 501 N VAL A 36 4.057 -10.811 -2.341 1.00 0.00 N ATOM 502 CA VAL A 36 3.768 -10.455 -0.957 1.00 0.00 C ATOM 503 C VAL A 36 3.291 -11.668 -0.166 1.00 0.00 C ATOM 504 O VAL A 36 2.653 -11.530 0.878 1.00 0.00 O ATOM 505 CB VAL A 36 2.700 -9.349 -0.873 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.591 -8.818 0.548 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.019 -8.225 -1.847 1.00 0.00 C ATOM 0 H VAL A 36 3.267 -10.706 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 36 4.698 -10.085 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 36 1.737 -9.777 -1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.831 -8.037 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.312 -9.630 1.219 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.551 -8.406 0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.254 -7.452 -1.774 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.991 -7.797 -1.603 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.041 -8.619 -2.863 1.00 0.00 H new ATOM 517 N PHE A 37 3.605 -12.857 -0.670 1.00 0.00 N ATOM 518 CA PHE A 37 3.208 -14.096 -0.011 1.00 0.00 C ATOM 519 C PHE A 37 3.545 -14.052 1.477 1.00 0.00 C ATOM 520 O PHE A 37 4.443 -13.325 1.900 1.00 0.00 O ATOM 521 CB PHE A 37 3.900 -15.292 -0.667 1.00 0.00 C ATOM 522 CG PHE A 37 3.968 -15.197 -2.165 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.817 -15.014 -2.914 1.00 0.00 C ATOM 524 CD2 PHE A 37 5.184 -15.292 -2.823 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.877 -14.926 -4.292 1.00 0.00 C ATOM 526 CE2 PHE A 37 5.249 -15.204 -4.201 1.00 0.00 C ATOM 527 CZ PHE A 37 4.094 -15.022 -4.936 1.00 0.00 C ATOM 0 H PHE A 37 4.133 -12.989 -1.533 1.00 0.00 H new ATOM 0 HA PHE A 37 2.129 -14.206 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.911 -15.379 -0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.370 -16.204 -0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.862 -14.939 -2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 37 6.090 -15.436 -2.253 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.972 -14.782 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 37 6.203 -15.278 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.143 -14.955 -6.013 1.00 0.00 H new ATOM 537 N ARG A 38 2.816 -14.836 2.265 1.00 0.00 N ATOM 538 CA ARG A 38 3.036 -14.887 3.706 1.00 0.00 C ATOM 539 C ARG A 38 4.492 -15.216 4.022 1.00 0.00 C ATOM 540 O ARG A 38 5.091 -16.089 3.395 1.00 0.00 O ATOM 541 CB ARG A 38 2.115 -15.926 4.347 1.00 0.00 C ATOM 542 CG ARG A 38 1.828 -15.661 5.816 1.00 0.00 C ATOM 543 CD ARG A 38 0.958 -16.753 6.419 1.00 0.00 C ATOM 544 NE ARG A 38 0.892 -16.658 7.875 1.00 0.00 N ATOM 545 CZ ARG A 38 0.581 -17.680 8.665 1.00 0.00 C ATOM 546 NH1 ARG A 38 0.309 -18.868 8.141 1.00 0.00 N ATOM 547 NH2 ARG A 38 0.541 -17.516 9.981 1.00 0.00 N ATOM 0 H ARG A 38 2.069 -15.444 1.930 1.00 0.00 H new ATOM 0 HA ARG A 38 2.806 -13.905 4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.173 -15.951 3.800 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.568 -16.912 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 38 2.767 -15.597 6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.330 -14.697 5.923 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.048 -16.685 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.353 -17.729 6.137 1.00 0.00 H new ATOM 0 HE ARG A 38 1.096 -15.758 8.309 1.00 0.00 H new ATOM 0 HH11 ARG A 38 0.338 -18.998 7.130 1.00 0.00 H new ATOM 0 HH12 ARG A 38 0.071 -19.651 8.749 1.00 0.00 H new ATOM 0 HH21 ARG A 38 0.749 -16.604 10.388 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.302 -18.302 10.586 1.00 0.00 H new ATOM 561 N GLU A 39 5.054 -14.512 5.000 1.00 0.00 N ATOM 562 CA GLU A 39 6.440 -14.729 5.398 1.00 0.00 C ATOM 563 C GLU A 39 7.388 -14.466 4.232 1.00 0.00 C ATOM 564 O GLU A 39 8.387 -15.165 4.061 1.00 0.00 O ATOM 565 CB GLU A 39 6.628 -16.159 5.910 1.00 0.00 C ATOM 566 CG GLU A 39 6.135 -16.365 7.333 1.00 0.00 C ATOM 567 CD GLU A 39 6.182 -17.819 7.761 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.295 -18.324 8.020 1.00 0.00 O ATOM 569 OE2 GLU A 39 5.108 -18.451 7.837 1.00 0.00 O ATOM 0 H GLU A 39 4.571 -13.787 5.531 1.00 0.00 H new ATOM 0 HA GLU A 39 6.675 -14.029 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.100 -16.845 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.686 -16.418 5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.743 -15.770 8.014 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.112 -15.998 7.416 1.00 0.00 H new ATOM 576 N ALA A 40 7.068 -13.454 3.433 1.00 0.00 N ATOM 577 CA ALA A 40 7.892 -13.097 2.285 1.00 0.00 C ATOM 578 C ALA A 40 8.341 -11.642 2.362 1.00 0.00 C ATOM 579 O ALA A 40 7.616 -10.783 2.865 1.00 0.00 O ATOM 580 CB ALA A 40 7.131 -13.348 0.991 1.00 0.00 C ATOM 0 H ALA A 40 6.244 -12.867 3.560 1.00 0.00 H new ATOM 0 HA ALA A 40 8.782 -13.726 2.299 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.758 -13.077 0.142 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.865 -14.403 0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.224 -12.744 0.979 1.00 0.00 H new ATOM 586 N THR A 41 9.543 -11.371 1.862 1.00 0.00 N ATOM 587 CA THR A 41 10.090 -10.020 1.876 1.00 0.00 C ATOM 588 C THR A 41 9.625 -9.226 0.661 1.00 0.00 C ATOM 589 O THR A 41 10.183 -9.355 -0.429 1.00 0.00 O ATOM 590 CB THR A 41 11.630 -10.038 1.906 1.00 0.00 C ATOM 591 OG1 THR A 41 12.089 -10.774 3.045 1.00 0.00 O ATOM 592 CG2 THR A 41 12.186 -8.623 1.952 1.00 0.00 C ATOM 0 H THR A 41 10.156 -12.070 1.442 1.00 0.00 H new ATOM 0 HA THR A 41 9.722 -9.539 2.782 1.00 0.00 H new ATOM 0 HB THR A 41 11.984 -10.521 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.069 -10.782 3.056 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.275 -8.661 1.973 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.858 -8.074 1.069 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.823 -8.119 2.848 1.00 0.00 H new ATOM 600 N THR A 42 8.600 -8.401 0.855 1.00 0.00 N ATOM 601 CA THR A 42 8.061 -7.586 -0.226 1.00 0.00 C ATOM 602 C THR A 42 8.174 -6.100 0.097 1.00 0.00 C ATOM 603 O THR A 42 8.063 -5.697 1.255 1.00 0.00 O ATOM 604 CB THR A 42 6.585 -7.928 -0.505 1.00 0.00 C ATOM 605 OG1 THR A 42 6.115 -7.185 -1.635 1.00 0.00 O ATOM 606 CG2 THR A 42 5.719 -7.619 0.707 1.00 0.00 C ATOM 0 H THR A 42 8.127 -8.280 1.751 1.00 0.00 H new ATOM 0 HA THR A 42 8.652 -7.808 -1.114 1.00 0.00 H new ATOM 0 HB THR A 42 6.517 -8.995 -0.718 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.974 -7.793 -2.390 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.681 -7.869 0.486 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.061 -8.208 1.558 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.794 -6.558 0.947 1.00 0.00 H new ATOM 614 N ASP A 43 8.395 -5.291 -0.933 1.00 0.00 N ATOM 615 CA ASP A 43 8.521 -3.849 -0.759 1.00 0.00 C ATOM 616 C ASP A 43 8.051 -3.107 -2.006 1.00 0.00 C ATOM 617 O ASP A 43 8.078 -3.650 -3.111 1.00 0.00 O ATOM 618 CB ASP A 43 9.971 -3.476 -0.446 1.00 0.00 C ATOM 619 CG ASP A 43 10.918 -3.835 -1.574 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.889 -5.000 -2.026 1.00 0.00 O ATOM 621 OD2 ASP A 43 11.686 -2.951 -2.007 1.00 0.00 O ATOM 0 H ASP A 43 8.491 -5.609 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 43 7.888 -3.553 0.078 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.033 -2.406 -0.250 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.286 -3.986 0.465 1.00 0.00 H new ATOM 626 N PHE A 44 7.619 -1.864 -1.822 1.00 0.00 N ATOM 627 CA PHE A 44 7.140 -1.049 -2.932 1.00 0.00 C ATOM 628 C PHE A 44 7.983 0.214 -3.082 1.00 0.00 C ATOM 629 O PHE A 44 8.870 0.483 -2.271 1.00 0.00 O ATOM 630 CB PHE A 44 5.672 -0.674 -2.721 1.00 0.00 C ATOM 631 CG PHE A 44 5.405 -0.016 -1.397 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.159 -0.778 -0.267 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.402 1.365 -1.283 1.00 0.00 C ATOM 634 CE1 PHE A 44 4.913 -0.175 0.952 1.00 0.00 C ATOM 635 CE2 PHE A 44 5.157 1.974 -0.067 1.00 0.00 C ATOM 636 CZ PHE A 44 4.913 1.203 1.053 1.00 0.00 C ATOM 0 H PHE A 44 7.591 -1.399 -0.915 1.00 0.00 H new ATOM 0 HA PHE A 44 7.230 -1.636 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.358 -0.003 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.061 -1.573 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.159 -1.856 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.593 1.973 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.721 -0.781 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.156 3.051 0.008 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.723 1.676 2.005 1.00 0.00 H new ATOM 646 N THR A 45 7.699 0.988 -4.125 1.00 0.00 N ATOM 647 CA THR A 45 8.430 2.221 -4.384 1.00 0.00 C ATOM 648 C THR A 45 7.480 3.405 -4.524 1.00 0.00 C ATOM 649 O THR A 45 6.508 3.348 -5.277 1.00 0.00 O ATOM 650 CB THR A 45 9.286 2.110 -5.660 1.00 0.00 C ATOM 651 OG1 THR A 45 10.076 0.917 -5.617 1.00 0.00 O ATOM 652 CG2 THR A 45 10.194 3.321 -5.809 1.00 0.00 C ATOM 0 H THR A 45 6.967 0.782 -4.804 1.00 0.00 H new ATOM 0 HA THR A 45 9.086 2.384 -3.529 1.00 0.00 H new ATOM 0 HB THR A 45 8.616 2.071 -6.519 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.880 1.077 -5.080 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.789 3.220 -6.717 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.588 4.225 -5.871 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.857 3.387 -4.946 1.00 0.00 H new ATOM 660 N VAL A 46 7.767 4.479 -3.794 1.00 0.00 N ATOM 661 CA VAL A 46 6.939 5.677 -3.839 1.00 0.00 C ATOM 662 C VAL A 46 7.660 6.818 -4.549 1.00 0.00 C ATOM 663 O VAL A 46 8.605 7.397 -4.014 1.00 0.00 O ATOM 664 CB VAL A 46 6.541 6.138 -2.424 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.712 7.412 -2.490 1.00 0.00 C ATOM 666 CG2 VAL A 46 5.784 5.036 -1.699 1.00 0.00 C ATOM 0 H VAL A 46 8.567 4.543 -3.165 1.00 0.00 H new ATOM 0 HA VAL A 46 6.038 5.418 -4.396 1.00 0.00 H new ATOM 0 HB VAL A 46 7.450 6.354 -1.862 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.440 7.722 -1.481 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.294 8.200 -2.968 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.807 7.228 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.510 5.378 -0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.882 4.787 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.417 4.152 -1.619 1.00 0.00 H new ATOM 676 N ASP A 47 7.207 7.135 -5.757 1.00 0.00 N ATOM 677 CA ASP A 47 7.808 8.208 -6.541 1.00 0.00 C ATOM 678 C ASP A 47 7.086 9.530 -6.297 1.00 0.00 C ATOM 679 O ASP A 47 5.884 9.644 -6.533 1.00 0.00 O ATOM 680 CB ASP A 47 7.773 7.861 -8.030 1.00 0.00 C ATOM 681 CG ASP A 47 8.932 8.471 -8.794 1.00 0.00 C ATOM 682 OD1 ASP A 47 9.207 9.673 -8.594 1.00 0.00 O ATOM 683 OD2 ASP A 47 9.563 7.748 -9.593 1.00 0.00 O ATOM 0 H ASP A 47 6.426 6.665 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 47 8.846 8.318 -6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.794 6.778 -8.148 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.834 8.211 -8.460 1.00 0.00 H new ATOM 688 N SER A 48 7.829 10.524 -5.821 1.00 0.00 N ATOM 689 CA SER A 48 7.258 11.837 -5.540 1.00 0.00 C ATOM 690 C SER A 48 8.141 12.945 -6.106 1.00 0.00 C ATOM 691 O SER A 48 9.348 12.975 -5.868 1.00 0.00 O ATOM 692 CB SER A 48 7.085 12.028 -4.032 1.00 0.00 C ATOM 693 OG SER A 48 6.591 10.848 -3.422 1.00 0.00 O ATOM 0 H SER A 48 8.826 10.446 -5.622 1.00 0.00 H new ATOM 0 HA SER A 48 6.281 11.893 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.041 12.300 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.399 12.854 -3.843 1.00 0.00 H new ATOM 0 HG SER A 48 6.491 10.995 -2.458 1.00 0.00 H new ATOM 699 N ARG A 49 7.528 13.854 -6.858 1.00 0.00 N ATOM 700 CA ARG A 49 8.257 14.964 -7.460 1.00 0.00 C ATOM 701 C ARG A 49 8.131 16.223 -6.608 1.00 0.00 C ATOM 702 O ARG A 49 9.092 16.684 -5.991 1.00 0.00 O ATOM 703 CB ARG A 49 7.736 15.237 -8.873 1.00 0.00 C ATOM 704 CG ARG A 49 8.540 14.546 -9.962 1.00 0.00 C ATOM 705 CD ARG A 49 9.967 15.068 -10.018 1.00 0.00 C ATOM 706 NE ARG A 49 10.129 16.110 -11.028 1.00 0.00 N ATOM 707 CZ ARG A 49 11.301 16.446 -11.555 1.00 0.00 C ATOM 708 NH1 ARG A 49 12.408 15.825 -11.170 1.00 0.00 N ATOM 709 NH2 ARG A 49 11.368 17.405 -12.470 1.00 0.00 N ATOM 0 H ARG A 49 6.529 13.843 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 49 9.310 14.687 -7.515 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.698 14.912 -8.938 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.745 16.312 -9.053 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.552 13.471 -9.781 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.057 14.701 -10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.247 15.463 -9.041 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.646 14.244 -10.235 1.00 0.00 H new ATOM 0 HE ARG A 49 9.297 16.607 -11.346 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.361 15.087 -10.467 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.307 16.085 -11.577 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.519 17.885 -12.769 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.268 17.662 -12.874 1.00 0.00 H new ATOM 723 N PRO A 50 6.918 16.795 -6.572 1.00 0.00 N ATOM 724 CA PRO A 50 6.638 18.009 -5.799 1.00 0.00 C ATOM 725 C PRO A 50 6.673 17.759 -4.295 1.00 0.00 C ATOM 726 O PRO A 50 6.326 18.635 -3.501 1.00 0.00 O ATOM 727 CB PRO A 50 5.225 18.394 -6.244 1.00 0.00 C ATOM 728 CG PRO A 50 4.608 17.116 -6.696 1.00 0.00 C ATOM 729 CD PRO A 50 5.727 16.301 -7.283 1.00 0.00 C ATOM 0 HA PRO A 50 7.382 18.786 -5.976 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.660 18.839 -5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.250 19.128 -7.049 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.140 16.593 -5.863 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.829 17.299 -7.436 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.575 15.234 -7.120 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.811 16.450 -8.359 1.00 0.00 H new ATOM 737 N LEU A 51 7.093 16.559 -3.909 1.00 0.00 N ATOM 738 CA LEU A 51 7.173 16.194 -2.499 1.00 0.00 C ATOM 739 C LEU A 51 8.625 16.029 -2.061 1.00 0.00 C ATOM 740 O LEU A 51 8.980 16.332 -0.921 1.00 0.00 O ATOM 741 CB LEU A 51 6.401 14.899 -2.242 1.00 0.00 C ATOM 742 CG LEU A 51 5.093 14.732 -3.016 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.293 13.562 -2.467 1.00 0.00 C ATOM 744 CD2 LEU A 51 4.274 16.014 -2.960 1.00 0.00 C ATOM 0 H LEU A 51 7.383 15.823 -4.552 1.00 0.00 H new ATOM 0 HA LEU A 51 6.725 16.998 -1.915 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.052 14.058 -2.482 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.180 14.837 -1.177 1.00 0.00 H new ATOM 0 HG LEU A 51 5.334 14.523 -4.058 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.366 13.459 -3.030 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.877 12.646 -2.559 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.062 13.740 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.346 15.878 -3.516 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.043 16.253 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.845 16.830 -3.402 1.00 0.00 H new ATOM 756 N THR A 52 9.463 15.549 -2.975 1.00 0.00 N ATOM 757 CA THR A 52 10.876 15.345 -2.685 1.00 0.00 C ATOM 758 C THR A 52 11.686 15.202 -3.968 1.00 0.00 C ATOM 759 O THR A 52 11.172 14.745 -4.989 1.00 0.00 O ATOM 760 CB THR A 52 11.095 14.096 -1.811 1.00 0.00 C ATOM 761 OG1 THR A 52 12.473 13.998 -1.433 1.00 0.00 O ATOM 762 CG2 THR A 52 10.677 12.835 -2.553 1.00 0.00 C ATOM 0 H THR A 52 9.186 15.294 -3.923 1.00 0.00 H new ATOM 0 HA THR A 52 11.217 16.225 -2.140 1.00 0.00 H new ATOM 0 HB THR A 52 10.479 14.193 -0.917 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.547 14.023 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.841 11.966 -1.915 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.621 12.899 -2.814 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.270 12.735 -3.462 1.00 0.00 H new ATOM 770 N GLN A 53 12.955 15.594 -3.909 1.00 0.00 N ATOM 771 CA GLN A 53 13.835 15.509 -5.068 1.00 0.00 C ATOM 772 C GLN A 53 15.100 14.724 -4.734 1.00 0.00 C ATOM 773 O GLN A 53 15.740 14.153 -5.617 1.00 0.00 O ATOM 774 CB GLN A 53 14.204 16.910 -5.559 1.00 0.00 C ATOM 775 CG GLN A 53 13.001 17.809 -5.792 1.00 0.00 C ATOM 776 CD GLN A 53 12.583 18.560 -4.544 1.00 0.00 C ATOM 777 OE1 GLN A 53 13.380 19.280 -3.942 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.326 18.395 -4.147 1.00 0.00 N ATOM 0 H GLN A 53 13.396 15.973 -3.071 1.00 0.00 H new ATOM 0 HA GLN A 53 13.302 14.984 -5.860 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.863 17.380 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 53 14.768 16.824 -6.488 1.00 0.00 H new ATOM 0 HG2 GLN A 53 13.234 18.524 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.165 17.206 -6.146 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.699 17.789 -4.676 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.987 18.875 -3.313 1.00 0.00 H new ATOM 787 N VAL A 54 15.455 14.701 -3.453 1.00 0.00 N ATOM 788 CA VAL A 54 16.643 13.986 -3.003 1.00 0.00 C ATOM 789 C VAL A 54 16.333 13.113 -1.792 1.00 0.00 C ATOM 790 O VAL A 54 17.134 13.013 -0.864 1.00 0.00 O ATOM 791 CB VAL A 54 17.781 14.960 -2.641 1.00 0.00 C ATOM 792 CG1 VAL A 54 18.125 15.844 -3.830 1.00 0.00 C ATOM 793 CG2 VAL A 54 17.397 15.802 -1.433 1.00 0.00 C ATOM 0 H VAL A 54 14.937 15.169 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 54 16.965 13.354 -3.831 1.00 0.00 H new ATOM 0 HB VAL A 54 18.666 14.378 -2.383 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.930 16.525 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.445 15.222 -4.666 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.247 16.420 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 54 18.212 16.484 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 54 16.499 16.376 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.205 15.150 -0.581 1.00 0.00 H new ATOM 803 N GLY A 55 15.164 12.480 -1.810 1.00 0.00 N ATOM 804 CA GLY A 55 14.768 11.622 -0.709 1.00 0.00 C ATOM 805 C GLY A 55 14.478 12.402 0.559 1.00 0.00 C ATOM 806 O GLY A 55 15.019 13.488 0.765 1.00 0.00 O ATOM 0 H GLY A 55 14.484 12.546 -2.568 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.881 11.056 -0.994 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.559 10.898 -0.514 1.00 0.00 H new ATOM 810 N GLY A 56 13.620 11.848 1.410 1.00 0.00 N ATOM 811 CA GLY A 56 13.273 12.513 2.652 1.00 0.00 C ATOM 812 C GLY A 56 12.934 11.535 3.759 1.00 0.00 C ATOM 813 O GLY A 56 12.976 10.321 3.558 1.00 0.00 O ATOM 0 H GLY A 56 13.159 10.950 1.261 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.106 13.141 2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.422 13.173 2.482 1.00 0.00 H new ATOM 817 N ASP A 57 12.599 12.063 4.931 1.00 0.00 N ATOM 818 CA ASP A 57 12.253 11.228 6.075 1.00 0.00 C ATOM 819 C ASP A 57 10.893 11.623 6.644 1.00 0.00 C ATOM 820 O ASP A 57 10.721 11.716 7.860 1.00 0.00 O ATOM 821 CB ASP A 57 13.325 11.340 7.159 1.00 0.00 C ATOM 822 CG ASP A 57 13.855 12.752 7.306 1.00 0.00 C ATOM 823 OD1 ASP A 57 13.067 13.645 7.682 1.00 0.00 O ATOM 824 OD2 ASP A 57 15.057 12.966 7.045 1.00 0.00 O ATOM 0 H ASP A 57 12.560 13.066 5.114 1.00 0.00 H new ATOM 0 HA ASP A 57 12.199 10.194 5.735 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.910 11.010 8.111 1.00 0.00 H new ATOM 0 HB3 ASP A 57 14.150 10.669 6.921 1.00 0.00 H new ATOM 829 N HIS A 58 9.931 11.855 5.757 1.00 0.00 N ATOM 830 CA HIS A 58 8.587 12.241 6.171 1.00 0.00 C ATOM 831 C HIS A 58 7.557 11.221 5.694 1.00 0.00 C ATOM 832 O HIS A 58 6.398 11.560 5.456 1.00 0.00 O ATOM 833 CB HIS A 58 8.240 13.626 5.626 1.00 0.00 C ATOM 834 CG HIS A 58 8.670 14.747 6.521 1.00 0.00 C ATOM 835 ND1 HIS A 58 7.781 15.541 7.214 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.905 15.205 6.835 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.449 16.439 7.915 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.740 16.257 7.703 1.00 0.00 N ATOM 0 H HIS A 58 10.057 11.782 4.747 1.00 0.00 H new ATOM 0 HA HIS A 58 8.565 12.272 7.260 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.709 13.751 4.650 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.163 13.687 5.472 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.844 14.816 6.471 1.00 0.00 H new ATOM 0 HE1 HIS A 58 8.014 17.194 8.553 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.492 16.808 8.117 1.00 0.00 H new ATOM 846 N ILE A 59 7.989 9.972 5.556 1.00 0.00 N ATOM 847 CA ILE A 59 7.105 8.904 5.107 1.00 0.00 C ATOM 848 C ILE A 59 6.838 7.904 6.227 1.00 0.00 C ATOM 849 O ILE A 59 7.698 7.658 7.073 1.00 0.00 O ATOM 850 CB ILE A 59 7.695 8.156 3.897 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.880 9.114 2.718 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.796 6.992 3.504 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.588 9.731 2.232 1.00 0.00 C ATOM 0 H ILE A 59 8.946 9.675 5.749 1.00 0.00 H new ATOM 0 HA ILE A 59 6.167 9.374 4.811 1.00 0.00 H new ATOM 0 HB ILE A 59 8.671 7.759 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.565 9.909 3.011 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.349 8.577 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.226 6.473 2.647 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.710 6.300 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.807 7.368 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.796 10.398 1.396 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.908 8.943 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.128 10.297 3.042 1.00 0.00 H new ATOM 865 N LYS A 60 5.640 7.328 6.226 1.00 0.00 N ATOM 866 CA LYS A 60 5.259 6.352 7.240 1.00 0.00 C ATOM 867 C LYS A 60 4.035 5.557 6.796 1.00 0.00 C ATOM 868 O LYS A 60 3.052 6.126 6.324 1.00 0.00 O ATOM 869 CB LYS A 60 4.970 7.053 8.569 1.00 0.00 C ATOM 870 CG LYS A 60 4.761 6.095 9.729 1.00 0.00 C ATOM 871 CD LYS A 60 6.070 5.779 10.434 1.00 0.00 C ATOM 872 CE LYS A 60 6.754 4.566 9.822 1.00 0.00 C ATOM 873 NZ LYS A 60 7.803 4.010 10.720 1.00 0.00 N ATOM 0 H LYS A 60 4.916 7.521 5.534 1.00 0.00 H new ATOM 0 HA LYS A 60 6.091 5.661 7.374 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.798 7.721 8.805 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.081 7.674 8.457 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.060 6.531 10.440 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.312 5.172 9.363 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.734 6.641 10.374 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.880 5.596 11.492 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.011 3.797 9.612 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.202 4.844 8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.246 3.185 10.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.526 4.736 10.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.371 3.721 11.621 1.00 0.00 H new ATOM 887 N ALA A 61 4.103 4.239 6.953 1.00 0.00 N ATOM 888 CA ALA A 61 2.999 3.366 6.572 1.00 0.00 C ATOM 889 C ALA A 61 2.587 2.465 7.730 1.00 0.00 C ATOM 890 O ALA A 61 3.332 2.299 8.697 1.00 0.00 O ATOM 891 CB ALA A 61 3.382 2.530 5.359 1.00 0.00 C ATOM 0 H ALA A 61 4.911 3.752 7.341 1.00 0.00 H new ATOM 0 HA ALA A 61 2.145 3.992 6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.549 1.883 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.620 3.189 4.524 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.252 1.919 5.598 1.00 0.00 H new ATOM 897 N HIS A 62 1.396 1.884 7.627 1.00 0.00 N ATOM 898 CA HIS A 62 0.885 0.998 8.667 1.00 0.00 C ATOM 899 C HIS A 62 -0.005 -0.087 8.068 1.00 0.00 C ATOM 900 O HIS A 62 -1.105 0.192 7.592 1.00 0.00 O ATOM 901 CB HIS A 62 0.102 1.798 9.709 1.00 0.00 C ATOM 902 CG HIS A 62 0.073 1.155 11.061 1.00 0.00 C ATOM 903 ND1 HIS A 62 1.016 1.409 12.035 1.00 0.00 N ATOM 904 CD2 HIS A 62 -0.792 0.266 11.600 1.00 0.00 C ATOM 905 CE1 HIS A 62 0.733 0.701 13.114 1.00 0.00 C ATOM 906 NE2 HIS A 62 -0.361 0.000 12.876 1.00 0.00 N ATOM 0 H HIS A 62 0.767 2.011 6.834 1.00 0.00 H new ATOM 0 HA HIS A 62 1.736 0.519 9.151 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.542 2.791 9.798 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.921 1.933 9.358 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -1.660 -0.156 11.116 1.00 0.00 H new ATOM 0 HE1 HIS A 62 1.299 0.696 14.034 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.812 -0.636 13.534 1.00 0.00 H new ATOM 914 N ILE A 63 0.480 -1.324 8.095 1.00 0.00 N ATOM 915 CA ILE A 63 -0.271 -2.450 7.555 1.00 0.00 C ATOM 916 C ILE A 63 -1.273 -2.982 8.574 1.00 0.00 C ATOM 917 O ILE A 63 -0.987 -3.038 9.770 1.00 0.00 O ATOM 918 CB ILE A 63 0.663 -3.596 7.123 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.685 -3.092 6.101 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.144 -4.750 6.549 1.00 0.00 C ATOM 921 CD1 ILE A 63 3.002 -3.834 6.148 1.00 0.00 C ATOM 0 H ILE A 63 1.389 -1.571 8.485 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.807 -2.081 6.681 1.00 0.00 H new ATOM 0 HB ILE A 63 1.201 -3.956 8.000 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.262 -3.183 5.101 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.868 -2.032 6.275 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.531 -5.552 6.248 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.836 -5.122 7.305 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.706 -4.405 5.681 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.678 -3.424 5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.447 -3.722 7.137 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.832 -4.891 5.944 1.00 0.00 H new ATOM 933 N ALA A 64 -2.448 -3.375 8.092 1.00 0.00 N ATOM 934 CA ALA A 64 -3.490 -3.907 8.960 1.00 0.00 C ATOM 935 C ALA A 64 -4.006 -5.245 8.443 1.00 0.00 C ATOM 936 O ALA A 64 -4.717 -5.301 7.440 1.00 0.00 O ATOM 937 CB ALA A 64 -4.633 -2.910 9.084 1.00 0.00 C ATOM 0 H ALA A 64 -2.701 -3.335 7.105 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.057 -4.072 9.947 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.405 -3.320 9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.259 -1.978 9.507 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.056 -2.717 8.098 1.00 0.00 H new ATOM 943 N ASN A 65 -3.642 -6.321 9.132 1.00 0.00 N ATOM 944 CA ASN A 65 -4.068 -7.660 8.741 1.00 0.00 C ATOM 945 C ASN A 65 -5.582 -7.804 8.853 1.00 0.00 C ATOM 946 O ASN A 65 -6.246 -7.084 9.600 1.00 0.00 O ATOM 947 CB ASN A 65 -3.378 -8.712 9.611 1.00 0.00 C ATOM 948 CG ASN A 65 -1.938 -8.949 9.199 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.545 -8.646 8.073 1.00 0.00 O ATOM 950 ND2 ASN A 65 -1.143 -9.494 10.113 1.00 0.00 N ATOM 0 H ASN A 65 -3.053 -6.292 9.964 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.783 -7.815 7.701 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.407 -8.394 10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.930 -9.650 9.549 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.164 -9.677 9.893 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.512 -9.729 11.034 1.00 0.00 H new ATOM 957 N PRO A 66 -6.144 -8.757 8.095 1.00 0.00 N ATOM 958 CA PRO A 66 -7.586 -9.019 8.093 1.00 0.00 C ATOM 959 C PRO A 66 -8.065 -9.641 9.401 1.00 0.00 C ATOM 960 O PRO A 66 -9.262 -9.848 9.599 1.00 0.00 O ATOM 961 CB PRO A 66 -7.766 -10.005 6.935 1.00 0.00 C ATOM 962 CG PRO A 66 -6.445 -10.681 6.805 1.00 0.00 C ATOM 963 CD PRO A 66 -5.415 -9.653 7.181 1.00 0.00 C ATOM 0 HA PRO A 66 -8.166 -8.102 7.985 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.559 -10.723 7.146 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.039 -9.489 6.014 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.386 -11.551 7.460 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.287 -11.037 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.552 -10.108 7.668 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.043 -9.119 6.307 1.00 0.00 H new ATOM 971 N SER A 67 -7.122 -9.936 10.290 1.00 0.00 N ATOM 972 CA SER A 67 -7.447 -10.537 11.578 1.00 0.00 C ATOM 973 C SER A 67 -7.407 -9.493 12.690 1.00 0.00 C ATOM 974 O SER A 67 -8.107 -9.614 13.695 1.00 0.00 O ATOM 975 CB SER A 67 -6.473 -11.674 11.895 1.00 0.00 C ATOM 976 OG SER A 67 -6.805 -12.846 11.171 1.00 0.00 O ATOM 0 H SER A 67 -6.127 -9.769 10.142 1.00 0.00 H new ATOM 0 HA SER A 67 -8.458 -10.940 11.518 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.457 -11.366 11.649 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.492 -11.886 12.964 1.00 0.00 H new ATOM 0 HG SER A 67 -6.036 -13.126 10.632 1.00 0.00 H new ATOM 982 N GLY A 68 -6.582 -8.468 12.502 1.00 0.00 N ATOM 983 CA GLY A 68 -6.465 -7.418 13.496 1.00 0.00 C ATOM 984 C GLY A 68 -5.027 -7.004 13.736 1.00 0.00 C ATOM 985 O GLY A 68 -4.753 -5.850 14.067 1.00 0.00 O ATOM 0 H GLY A 68 -5.992 -8.346 11.679 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.040 -6.550 13.173 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.903 -7.760 14.434 1.00 0.00 H new ATOM 989 N ALA A 69 -4.105 -7.947 13.570 1.00 0.00 N ATOM 990 CA ALA A 69 -2.688 -7.674 13.770 1.00 0.00 C ATOM 991 C ALA A 69 -2.171 -6.674 12.741 1.00 0.00 C ATOM 992 O ALA A 69 -2.905 -6.252 11.848 1.00 0.00 O ATOM 993 CB ALA A 69 -1.887 -8.966 13.701 1.00 0.00 C ATOM 0 H ALA A 69 -4.315 -8.907 13.297 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.564 -7.234 14.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.830 -8.747 13.852 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.231 -9.649 14.478 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.026 -9.428 12.724 1.00 0.00 H new ATOM 999 N SER A 70 -0.903 -6.298 12.874 1.00 0.00 N ATOM 1000 CA SER A 70 -0.289 -5.343 11.958 1.00 0.00 C ATOM 1001 C SER A 70 1.153 -5.735 11.651 1.00 0.00 C ATOM 1002 O SER A 70 1.896 -6.161 12.536 1.00 0.00 O ATOM 1003 CB SER A 70 -0.331 -3.934 12.553 1.00 0.00 C ATOM 1004 OG SER A 70 -1.638 -3.603 12.987 1.00 0.00 O ATOM 0 H SER A 70 -0.281 -6.640 13.607 1.00 0.00 H new ATOM 0 HA SER A 70 -0.856 -5.354 11.027 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.362 -3.869 13.392 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.002 -3.211 11.808 1.00 0.00 H new ATOM 0 HG SER A 70 -1.638 -2.699 13.364 1.00 0.00 H new ATOM 1010 N THR A 71 1.544 -5.588 10.389 1.00 0.00 N ATOM 1011 CA THR A 71 2.896 -5.927 9.963 1.00 0.00 C ATOM 1012 C THR A 71 3.807 -4.706 10.001 1.00 0.00 C ATOM 1013 O THR A 71 3.539 -3.700 9.344 1.00 0.00 O ATOM 1014 CB THR A 71 2.905 -6.516 8.540 1.00 0.00 C ATOM 1015 OG1 THR A 71 2.010 -7.632 8.465 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.307 -6.957 8.145 1.00 0.00 C ATOM 0 H THR A 71 0.943 -5.236 9.644 1.00 0.00 H new ATOM 0 HA THR A 71 3.269 -6.677 10.661 1.00 0.00 H new ATOM 0 HB THR A 71 2.577 -5.740 7.848 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.648 -7.700 7.557 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.288 -7.370 7.136 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.980 -6.100 8.174 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.659 -7.718 8.842 1.00 0.00 H new ATOM 1024 N GLU A 72 4.885 -4.801 10.773 1.00 0.00 N ATOM 1025 CA GLU A 72 5.835 -3.702 10.895 1.00 0.00 C ATOM 1026 C GLU A 72 6.350 -3.272 9.525 1.00 0.00 C ATOM 1027 O GLU A 72 6.778 -4.102 8.722 1.00 0.00 O ATOM 1028 CB GLU A 72 7.009 -4.110 11.788 1.00 0.00 C ATOM 1029 CG GLU A 72 7.807 -2.932 12.322 1.00 0.00 C ATOM 1030 CD GLU A 72 8.567 -3.270 13.590 1.00 0.00 C ATOM 1031 OE1 GLU A 72 7.990 -3.951 14.463 1.00 0.00 O ATOM 1032 OE2 GLU A 72 9.738 -2.853 13.709 1.00 0.00 O ATOM 0 H GLU A 72 5.122 -5.627 11.323 1.00 0.00 H new ATOM 0 HA GLU A 72 5.317 -2.858 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.630 -4.692 12.628 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.675 -4.762 11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.510 -2.599 11.559 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.132 -2.099 12.519 1.00 0.00 H new ATOM 1039 N CYS A 73 6.303 -1.970 9.263 1.00 0.00 N ATOM 1040 CA CYS A 73 6.763 -1.429 7.989 1.00 0.00 C ATOM 1041 C CYS A 73 8.148 -0.806 8.131 1.00 0.00 C ATOM 1042 O CYS A 73 8.454 -0.171 9.140 1.00 0.00 O ATOM 1043 CB CYS A 73 5.773 -0.387 7.467 1.00 0.00 C ATOM 1044 SG CYS A 73 4.116 -1.038 7.147 1.00 0.00 S ATOM 0 H CYS A 73 5.951 -1.270 9.916 1.00 0.00 H new ATOM 0 HA CYS A 73 6.826 -2.250 7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.699 0.424 8.192 1.00 0.00 H new ATOM 0 HB3 CYS A 73 6.167 0.043 6.546 1.00 0.00 H new ATOM 0 HG CYS A 73 3.351 -0.082 6.711 1.00 0.00 H new ATOM 1050 N PHE A 74 8.982 -0.994 7.114 1.00 0.00 N ATOM 1051 CA PHE A 74 10.336 -0.453 7.126 1.00 0.00 C ATOM 1052 C PHE A 74 10.580 0.430 5.906 1.00 0.00 C ATOM 1053 O PHE A 74 10.855 -0.064 4.813 1.00 0.00 O ATOM 1054 CB PHE A 74 11.362 -1.588 7.161 1.00 0.00 C ATOM 1055 CG PHE A 74 11.187 -2.519 8.327 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.121 -3.402 8.372 1.00 0.00 C ATOM 1057 CD2 PHE A 74 12.088 -2.508 9.379 1.00 0.00 C ATOM 1058 CE1 PHE A 74 9.957 -4.260 9.443 1.00 0.00 C ATOM 1059 CE2 PHE A 74 11.930 -3.364 10.453 1.00 0.00 C ATOM 1060 CZ PHE A 74 10.863 -4.240 10.486 1.00 0.00 C ATOM 0 H PHE A 74 8.744 -1.517 6.271 1.00 0.00 H new ATOM 0 HA PHE A 74 10.448 0.157 8.023 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.291 -2.160 6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.364 -1.160 7.195 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.409 -3.420 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 74 12.923 -1.823 9.360 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.122 -4.945 9.465 1.00 0.00 H new ATOM 0 HE2 PHE A 74 12.641 -3.348 11.266 1.00 0.00 H new ATOM 0 HZ PHE A 74 10.737 -4.908 11.325 1.00 0.00 H new ATOM 1070 N VAL A 75 10.476 1.741 6.102 1.00 0.00 N ATOM 1071 CA VAL A 75 10.685 2.695 5.019 1.00 0.00 C ATOM 1072 C VAL A 75 12.171 2.958 4.798 1.00 0.00 C ATOM 1073 O VAL A 75 12.923 3.172 5.749 1.00 0.00 O ATOM 1074 CB VAL A 75 9.975 4.031 5.303 1.00 0.00 C ATOM 1075 CG1 VAL A 75 8.486 3.809 5.524 1.00 0.00 C ATOM 1076 CG2 VAL A 75 10.603 4.723 6.503 1.00 0.00 C ATOM 0 H VAL A 75 10.248 2.166 7.001 1.00 0.00 H new ATOM 0 HA VAL A 75 10.260 2.251 4.119 1.00 0.00 H new ATOM 0 HB VAL A 75 10.096 4.678 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.001 4.765 5.723 1.00 0.00 H new ATOM 0 HG12 VAL A 75 8.049 3.359 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 75 8.340 3.144 6.375 1.00 0.00 H new ATOM 0 HG21 VAL A 75 10.089 5.666 6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.515 4.082 7.380 1.00 0.00 H new ATOM 0 HG23 VAL A 75 11.656 4.918 6.301 1.00 0.00 H new ATOM 1086 N THR A 76 12.588 2.941 3.535 1.00 0.00 N ATOM 1087 CA THR A 76 13.983 3.178 3.188 1.00 0.00 C ATOM 1088 C THR A 76 14.104 4.183 2.049 1.00 0.00 C ATOM 1089 O THR A 76 13.773 3.879 0.903 1.00 0.00 O ATOM 1090 CB THR A 76 14.690 1.871 2.782 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.621 0.923 3.853 1.00 0.00 O ATOM 1092 CG2 THR A 76 16.145 2.132 2.423 1.00 0.00 C ATOM 0 H THR A 76 11.979 2.765 2.736 1.00 0.00 H new ATOM 0 HA THR A 76 14.465 3.583 4.078 1.00 0.00 H new ATOM 0 HB THR A 76 14.183 1.467 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.071 0.095 3.586 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.624 1.195 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.194 2.831 1.588 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.661 2.557 3.283 1.00 0.00 H new ATOM 1100 N ASP A 77 14.580 5.380 2.370 1.00 0.00 N ATOM 1101 CA ASP A 77 14.746 6.431 1.372 1.00 0.00 C ATOM 1102 C ASP A 77 16.045 6.241 0.595 1.00 0.00 C ATOM 1103 O ASP A 77 17.118 6.112 1.182 1.00 0.00 O ATOM 1104 CB ASP A 77 14.734 7.806 2.041 1.00 0.00 C ATOM 1105 CG ASP A 77 15.119 8.918 1.085 1.00 0.00 C ATOM 1106 OD1 ASP A 77 14.554 8.967 -0.027 1.00 0.00 O ATOM 1107 OD2 ASP A 77 15.985 9.740 1.451 1.00 0.00 O ATOM 0 H ASP A 77 14.858 5.648 3.314 1.00 0.00 H new ATOM 0 HA ASP A 77 13.912 6.369 0.673 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.740 8.003 2.442 1.00 0.00 H new ATOM 0 HB3 ASP A 77 15.423 7.802 2.886 1.00 0.00 H new ATOM 1112 N ASN A 78 15.939 6.224 -0.730 1.00 0.00 N ATOM 1113 CA ASN A 78 17.105 6.049 -1.588 1.00 0.00 C ATOM 1114 C ASN A 78 17.843 7.370 -1.781 1.00 0.00 C ATOM 1115 O ASN A 78 18.684 7.499 -2.669 1.00 0.00 O ATOM 1116 CB ASN A 78 16.684 5.484 -2.946 1.00 0.00 C ATOM 1117 CG ASN A 78 16.090 4.093 -2.835 1.00 0.00 C ATOM 1118 OD1 ASN A 78 16.808 3.094 -2.882 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.772 4.023 -2.687 1.00 0.00 N ATOM 0 H ASN A 78 15.058 6.329 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 78 17.780 5.345 -1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.955 6.152 -3.404 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.549 5.455 -3.608 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.315 3.114 -2.607 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.216 4.878 -2.653 1.00 0.00 H new ATOM 1126 N ALA A 79 17.520 8.349 -0.942 1.00 0.00 N ATOM 1127 CA ALA A 79 18.154 9.660 -1.018 1.00 0.00 C ATOM 1128 C ALA A 79 18.271 10.130 -2.463 1.00 0.00 C ATOM 1129 O ALA A 79 19.243 10.786 -2.836 1.00 0.00 O ATOM 1130 CB ALA A 79 19.526 9.622 -0.360 1.00 0.00 C ATOM 0 H ALA A 79 16.823 8.259 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 79 17.526 10.372 -0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.988 10.607 -0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.420 9.339 0.687 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.155 8.893 -0.871 1.00 0.00 H new ATOM 1136 N ASP A 80 17.274 9.790 -3.273 1.00 0.00 N ATOM 1137 CA ASP A 80 17.265 10.178 -4.679 1.00 0.00 C ATOM 1138 C ASP A 80 15.962 10.884 -5.040 1.00 0.00 C ATOM 1139 O ASP A 80 15.935 11.751 -5.912 1.00 0.00 O ATOM 1140 CB ASP A 80 17.458 8.950 -5.571 1.00 0.00 C ATOM 1141 CG ASP A 80 17.657 9.318 -7.028 1.00 0.00 C ATOM 1142 OD1 ASP A 80 18.807 9.615 -7.413 1.00 0.00 O ATOM 1143 OD2 ASP A 80 16.663 9.307 -7.783 1.00 0.00 O ATOM 0 H ASP A 80 16.462 9.247 -2.980 1.00 0.00 H new ATOM 0 HA ASP A 80 18.090 10.871 -4.844 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.321 8.383 -5.222 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.589 8.298 -5.479 1.00 0.00 H new ATOM 1148 N GLY A 81 14.883 10.506 -4.362 1.00 0.00 N ATOM 1149 CA GLY A 81 13.591 11.113 -4.626 1.00 0.00 C ATOM 1150 C GLY A 81 12.441 10.154 -4.388 1.00 0.00 C ATOM 1151 O GLY A 81 11.297 10.575 -4.211 1.00 0.00 O ATOM 0 H GLY A 81 14.880 9.791 -3.635 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.467 11.989 -3.989 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.561 11.462 -5.658 1.00 0.00 H new ATOM 1155 N THR A 82 12.742 8.859 -4.386 1.00 0.00 N ATOM 1156 CA THR A 82 11.725 7.838 -4.172 1.00 0.00 C ATOM 1157 C THR A 82 11.928 7.132 -2.836 1.00 0.00 C ATOM 1158 O THR A 82 13.012 7.181 -2.255 1.00 0.00 O ATOM 1159 CB THR A 82 11.735 6.789 -5.300 1.00 0.00 C ATOM 1160 OG1 THR A 82 12.922 5.993 -5.218 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.662 7.460 -6.663 1.00 0.00 C ATOM 0 H THR A 82 13.683 8.493 -4.530 1.00 0.00 H new ATOM 0 HA THR A 82 10.762 8.348 -4.169 1.00 0.00 H new ATOM 0 HB THR A 82 10.860 6.150 -5.180 1.00 0.00 H new ATOM 0 HG1 THR A 82 12.920 5.327 -5.937 1.00 0.00 H new ATOM 0 HG21 THR A 82 11.670 6.700 -7.444 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.743 8.042 -6.733 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.520 8.120 -6.790 1.00 0.00 H new ATOM 1169 N TYR A 83 10.878 6.477 -2.353 1.00 0.00 N ATOM 1170 CA TYR A 83 10.940 5.762 -1.084 1.00 0.00 C ATOM 1171 C TYR A 83 10.715 4.267 -1.289 1.00 0.00 C ATOM 1172 O TYR A 83 9.926 3.859 -2.140 1.00 0.00 O ATOM 1173 CB TYR A 83 9.899 6.317 -0.110 1.00 0.00 C ATOM 1174 CG TYR A 83 9.941 7.822 0.027 1.00 0.00 C ATOM 1175 CD1 TYR A 83 9.191 8.637 -0.813 1.00 0.00 C ATOM 1176 CD2 TYR A 83 10.730 8.430 0.996 1.00 0.00 C ATOM 1177 CE1 TYR A 83 9.226 10.013 -0.692 1.00 0.00 C ATOM 1178 CE2 TYR A 83 10.770 9.805 1.125 1.00 0.00 C ATOM 1179 CZ TYR A 83 10.017 10.592 0.279 1.00 0.00 C ATOM 1180 OH TYR A 83 10.055 11.961 0.404 1.00 0.00 O ATOM 0 H TYR A 83 9.973 6.427 -2.821 1.00 0.00 H new ATOM 0 HA TYR A 83 11.935 5.907 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.905 6.018 -0.444 1.00 0.00 H new ATOM 0 HB3 TYR A 83 10.054 5.867 0.870 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.570 8.187 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 83 11.322 7.817 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.638 10.632 -1.354 1.00 0.00 H new ATOM 0 HE2 TYR A 83 11.388 10.261 1.884 1.00 0.00 H new ATOM 0 HH TYR A 83 10.659 12.206 1.136 1.00 0.00 H new ATOM 1190 N GLN A 84 11.414 3.456 -0.501 1.00 0.00 N ATOM 1191 CA GLN A 84 11.291 2.007 -0.596 1.00 0.00 C ATOM 1192 C GLN A 84 10.919 1.403 0.755 1.00 0.00 C ATOM 1193 O GLN A 84 11.753 1.310 1.656 1.00 0.00 O ATOM 1194 CB GLN A 84 12.600 1.394 -1.098 1.00 0.00 C ATOM 1195 CG GLN A 84 12.452 -0.035 -1.594 1.00 0.00 C ATOM 1196 CD GLN A 84 12.064 -0.108 -3.058 1.00 0.00 C ATOM 1197 OE1 GLN A 84 12.592 0.632 -3.889 1.00 0.00 O ATOM 1198 NE2 GLN A 84 11.138 -1.002 -3.382 1.00 0.00 N ATOM 0 H GLN A 84 12.071 3.778 0.210 1.00 0.00 H new ATOM 0 HA GLN A 84 10.496 1.781 -1.307 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.994 2.011 -1.906 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.334 1.416 -0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.392 -0.567 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.698 -0.547 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 84 10.727 -1.595 -2.661 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.837 -1.096 -4.352 1.00 0.00 H new ATOM 1207 N VAL A 85 9.661 0.994 0.888 1.00 0.00 N ATOM 1208 CA VAL A 85 9.179 0.398 2.128 1.00 0.00 C ATOM 1209 C VAL A 85 9.110 -1.121 2.018 1.00 0.00 C ATOM 1210 O VAL A 85 8.480 -1.659 1.108 1.00 0.00 O ATOM 1211 CB VAL A 85 7.786 0.938 2.505 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.308 0.318 3.809 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.813 2.456 2.606 1.00 0.00 C ATOM 0 H VAL A 85 8.958 1.065 0.152 1.00 0.00 H new ATOM 0 HA VAL A 85 9.890 0.671 2.908 1.00 0.00 H new ATOM 0 HB VAL A 85 7.083 0.661 1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.323 0.711 4.059 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.249 -0.765 3.697 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.009 0.562 4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.821 2.821 2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.528 2.757 3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.109 2.879 1.646 1.00 0.00 H new ATOM 1223 N GLU A 86 9.762 -1.807 2.951 1.00 0.00 N ATOM 1224 CA GLU A 86 9.774 -3.265 2.958 1.00 0.00 C ATOM 1225 C GLU A 86 9.089 -3.809 4.208 1.00 0.00 C ATOM 1226 O GLU A 86 9.295 -3.305 5.312 1.00 0.00 O ATOM 1227 CB GLU A 86 11.212 -3.785 2.883 1.00 0.00 C ATOM 1228 CG GLU A 86 11.312 -5.301 2.908 1.00 0.00 C ATOM 1229 CD GLU A 86 12.663 -5.788 3.395 1.00 0.00 C ATOM 1230 OE1 GLU A 86 13.602 -5.851 2.574 1.00 0.00 O ATOM 1231 OE2 GLU A 86 12.781 -6.106 4.597 1.00 0.00 O ATOM 0 H GLU A 86 10.289 -1.377 3.711 1.00 0.00 H new ATOM 0 HA GLU A 86 9.223 -3.612 2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.677 -3.413 1.970 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.781 -3.378 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.531 -5.702 3.554 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.129 -5.690 1.906 1.00 0.00 H new ATOM 1238 N TYR A 87 8.273 -4.841 4.026 1.00 0.00 N ATOM 1239 CA TYR A 87 7.554 -5.453 5.137 1.00 0.00 C ATOM 1240 C TYR A 87 7.284 -6.930 4.865 1.00 0.00 C ATOM 1241 O TYR A 87 7.147 -7.347 3.714 1.00 0.00 O ATOM 1242 CB TYR A 87 6.234 -4.719 5.384 1.00 0.00 C ATOM 1243 CG TYR A 87 5.181 -4.999 4.336 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.403 -6.149 4.393 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.963 -4.112 3.288 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.440 -6.409 3.438 1.00 0.00 C ATOM 1247 CE2 TYR A 87 4.001 -4.363 2.329 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.243 -5.513 2.408 1.00 0.00 C ATOM 1249 OH TYR A 87 2.283 -5.767 1.454 1.00 0.00 O ATOM 0 H TYR A 87 8.093 -5.272 3.119 1.00 0.00 H new ATOM 0 HA TYR A 87 8.178 -5.375 6.027 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.846 -5.005 6.362 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.425 -3.646 5.418 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.554 -6.852 5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.556 -3.212 3.223 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.845 -7.308 3.497 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.843 -3.663 1.522 1.00 0.00 H new ATOM 0 HH TYR A 87 2.397 -5.148 0.703 1.00 0.00 H new ATOM 1259 N THR A 88 7.209 -7.717 5.933 1.00 0.00 N ATOM 1260 CA THR A 88 6.957 -9.148 5.812 1.00 0.00 C ATOM 1261 C THR A 88 5.667 -9.541 6.523 1.00 0.00 C ATOM 1262 O THR A 88 5.623 -9.688 7.744 1.00 0.00 O ATOM 1263 CB THR A 88 8.121 -9.974 6.390 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.372 -9.407 5.988 1.00 0.00 O ATOM 1265 CG2 THR A 88 8.041 -11.421 5.925 1.00 0.00 C ATOM 0 H THR A 88 7.319 -7.388 6.892 1.00 0.00 H new ATOM 0 HA THR A 88 6.862 -9.364 4.748 1.00 0.00 H new ATOM 0 HB THR A 88 8.047 -9.953 7.477 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.107 -9.937 6.361 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.873 -11.985 6.346 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.100 -11.859 6.259 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.092 -11.457 4.837 1.00 0.00 H new ATOM 1273 N PRO A 89 4.590 -9.716 5.742 1.00 0.00 N ATOM 1274 CA PRO A 89 3.279 -10.095 6.277 1.00 0.00 C ATOM 1275 C PRO A 89 3.257 -11.529 6.795 1.00 0.00 C ATOM 1276 O PRO A 89 3.502 -12.475 6.046 1.00 0.00 O ATOM 1277 CB PRO A 89 2.348 -9.949 5.070 1.00 0.00 C ATOM 1278 CG PRO A 89 3.234 -10.125 3.885 1.00 0.00 C ATOM 1279 CD PRO A 89 4.570 -9.557 4.279 1.00 0.00 C ATOM 0 HA PRO A 89 2.994 -9.480 7.130 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.557 -10.698 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.863 -8.973 5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.321 -11.178 3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.830 -9.606 3.015 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.391 -10.095 3.805 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.664 -8.511 3.987 1.00 0.00 H new ATOM 1287 N PHE A 90 2.963 -11.683 8.082 1.00 0.00 N ATOM 1288 CA PHE A 90 2.910 -13.002 8.701 1.00 0.00 C ATOM 1289 C PHE A 90 1.499 -13.578 8.636 1.00 0.00 C ATOM 1290 O PHE A 90 1.117 -14.408 9.460 1.00 0.00 O ATOM 1291 CB PHE A 90 3.374 -12.925 10.158 1.00 0.00 C ATOM 1292 CG PHE A 90 2.901 -11.691 10.872 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.590 -11.585 11.306 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.769 -10.637 11.109 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.152 -10.451 11.964 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.337 -9.501 11.767 1.00 0.00 C ATOM 1297 CZ PHE A 90 2.026 -9.407 12.194 1.00 0.00 C ATOM 0 H PHE A 90 2.758 -10.911 8.716 1.00 0.00 H new ATOM 0 HA PHE A 90 3.579 -13.661 8.148 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.015 -13.805 10.692 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.463 -12.957 10.187 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.902 -12.398 11.128 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.794 -10.704 10.776 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.127 -10.382 12.298 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.024 -8.687 11.947 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.686 -8.519 12.706 1.00 0.00 H new ATOM 1307 N GLU A 91 0.729 -13.130 7.649 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.641 -13.599 7.476 1.00 0.00 C ATOM 1309 C GLU A 91 -1.073 -13.492 6.017 1.00 0.00 C ATOM 1310 O GLU A 91 -0.958 -12.433 5.399 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.595 -12.794 8.362 1.00 0.00 C ATOM 1312 CG GLU A 91 -1.770 -13.377 9.754 1.00 0.00 C ATOM 1313 CD GLU A 91 -2.890 -12.710 10.529 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -4.045 -12.752 10.056 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -2.612 -12.146 11.608 1.00 0.00 O ATOM 0 H GLU A 91 1.030 -12.443 6.958 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.679 -14.647 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.223 -11.773 8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.569 -12.738 7.876 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -1.974 -14.445 9.674 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.837 -13.272 10.308 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.570 -14.597 5.471 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.021 -14.630 4.084 1.00 0.00 C ATOM 1324 C LYS A 92 -3.441 -14.087 3.961 1.00 0.00 C ATOM 1325 O LYS A 92 -4.413 -14.821 4.131 1.00 0.00 O ATOM 1326 CB LYS A 92 -1.960 -16.059 3.541 1.00 0.00 C ATOM 1327 CG LYS A 92 -2.557 -17.093 4.481 1.00 0.00 C ATOM 1328 CD LYS A 92 -2.645 -18.459 3.822 1.00 0.00 C ATOM 1329 CE LYS A 92 -2.682 -19.575 4.856 1.00 0.00 C ATOM 1330 NZ LYS A 92 -4.017 -19.683 5.507 1.00 0.00 N ATOM 0 H LYS A 92 -1.671 -15.482 5.968 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.357 -13.996 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.487 -16.099 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.920 -16.319 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -1.948 -17.161 5.383 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -3.552 -16.773 4.792 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -3.539 -18.507 3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.790 -18.601 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -2.434 -20.522 4.377 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -1.921 -19.392 5.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -4.002 -20.454 6.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.243 -18.788 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -4.740 -19.883 4.786 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.553 -12.796 3.662 1.00 0.00 N ATOM 1345 CA GLY A 93 -4.858 -12.178 3.519 1.00 0.00 C ATOM 1346 C GLY A 93 -4.772 -10.753 3.011 1.00 0.00 C ATOM 1347 O GLY A 93 -3.686 -10.262 2.697 1.00 0.00 O ATOM 0 H GLY A 93 -2.763 -12.167 3.516 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.463 -12.769 2.832 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.368 -12.187 4.482 1.00 0.00 H new ATOM 1351 N LEU A 94 -5.918 -10.086 2.927 1.00 0.00 N ATOM 1352 CA LEU A 94 -5.968 -8.708 2.451 1.00 0.00 C ATOM 1353 C LEU A 94 -5.787 -7.727 3.604 1.00 0.00 C ATOM 1354 O LEU A 94 -6.618 -7.658 4.511 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.298 -8.441 1.743 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.600 -6.979 1.412 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.568 -6.427 0.440 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -9.003 -6.840 0.839 1.00 0.00 C ATOM 0 H LEU A 94 -6.825 -10.477 3.182 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.151 -8.563 1.744 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.314 -9.014 0.816 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.103 -8.825 2.369 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.547 -6.400 2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.799 -5.386 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.576 -6.490 0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.588 -7.009 -0.481 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.200 -5.793 0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.084 -7.433 -0.072 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.731 -7.195 1.569 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.697 -6.968 3.563 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.408 -5.987 4.604 1.00 0.00 C ATOM 1372 C HIS A 95 -4.693 -4.572 4.111 1.00 0.00 C ATOM 1373 O HIS A 95 -4.730 -4.318 2.906 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.950 -6.101 5.050 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.372 -7.470 4.866 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.024 -8.621 5.256 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.196 -7.870 4.329 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.274 -9.669 4.968 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.158 -9.241 4.404 1.00 0.00 N ATOM 0 H HIS A 95 -3.999 -7.013 2.821 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.057 -6.194 5.455 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.350 -5.384 4.489 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.878 -5.824 6.102 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.429 -7.230 3.918 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.529 -10.701 5.161 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.393 -9.832 4.078 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.895 -3.653 5.050 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.176 -2.263 4.711 1.00 0.00 C ATOM 1389 C VAL A 96 -3.985 -1.367 5.033 1.00 0.00 C ATOM 1390 O VAL A 96 -3.725 -1.056 6.196 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.415 -1.742 5.463 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.650 -0.272 5.151 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.640 -2.572 5.111 1.00 0.00 C ATOM 0 H VAL A 96 -4.869 -3.846 6.051 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.371 -2.231 3.639 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.235 -1.838 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.529 0.079 5.691 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.780 0.309 5.458 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.809 -0.148 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.506 -2.190 5.651 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.825 -2.511 4.039 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.468 -3.611 5.390 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.265 -0.953 3.995 1.00 0.00 N ATOM 1404 CA VAL A 97 -2.102 -0.091 4.167 1.00 0.00 C ATOM 1405 C VAL A 97 -2.489 1.380 4.064 1.00 0.00 C ATOM 1406 O VAL A 97 -3.013 1.823 3.042 1.00 0.00 O ATOM 1407 CB VAL A 97 -1.015 -0.399 3.121 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.170 0.539 3.289 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.574 -1.852 3.224 1.00 0.00 C ATOM 0 H VAL A 97 -3.467 -1.201 3.026 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.704 -0.291 5.162 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.435 -0.239 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.928 0.306 2.541 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.161 1.570 3.161 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.594 0.415 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.195 -2.053 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -0.171 -2.040 4.219 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.429 -2.505 3.049 1.00 0.00 H new ATOM 1419 N GLU A 98 -2.225 2.132 5.128 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.547 3.554 5.156 1.00 0.00 C ATOM 1421 C GLU A 98 -1.277 4.400 5.101 1.00 0.00 C ATOM 1422 O GLU A 98 -0.468 4.385 6.029 1.00 0.00 O ATOM 1423 CB GLU A 98 -3.346 3.895 6.415 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.811 3.502 6.331 1.00 0.00 C ATOM 1425 CD GLU A 98 -5.445 3.318 7.697 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -4.919 2.509 8.490 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -6.466 3.982 7.972 1.00 0.00 O ATOM 0 H GLU A 98 -1.790 1.781 5.981 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.153 3.780 4.279 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.892 3.393 7.270 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -3.276 4.967 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.358 4.268 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.903 2.576 5.764 1.00 0.00 H new ATOM 1434 N VAL A 99 -1.110 5.136 4.007 1.00 0.00 N ATOM 1435 CA VAL A 99 0.059 5.989 3.830 1.00 0.00 C ATOM 1436 C VAL A 99 -0.273 7.447 4.129 1.00 0.00 C ATOM 1437 O VAL A 99 -1.345 7.937 3.772 1.00 0.00 O ATOM 1438 CB VAL A 99 0.619 5.884 2.399 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.827 6.793 2.231 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.977 4.442 2.072 1.00 0.00 C ATOM 0 H VAL A 99 -1.770 5.159 3.230 1.00 0.00 H new ATOM 0 HA VAL A 99 0.814 5.640 4.534 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.151 6.210 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.209 6.706 1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.535 7.826 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.604 6.500 2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.371 4.386 1.057 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.731 4.086 2.774 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.086 3.819 2.150 1.00 0.00 H new ATOM 1450 N THR A 100 0.654 8.137 4.786 1.00 0.00 N ATOM 1451 CA THR A 100 0.460 9.539 5.134 1.00 0.00 C ATOM 1452 C THR A 100 1.745 10.335 4.943 1.00 0.00 C ATOM 1453 O THR A 100 2.729 10.123 5.652 1.00 0.00 O ATOM 1454 CB THR A 100 -0.017 9.695 6.590 1.00 0.00 C ATOM 1455 OG1 THR A 100 0.898 9.043 7.478 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.410 9.111 6.770 1.00 0.00 C ATOM 0 H THR A 100 1.547 7.747 5.088 1.00 0.00 H new ATOM 0 HA THR A 100 -0.307 9.928 4.465 1.00 0.00 H new ATOM 0 HB THR A 100 -0.054 10.759 6.824 1.00 0.00 H new ATOM 0 HG1 THR A 100 1.815 9.184 7.164 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.725 9.233 7.806 1.00 0.00 H new ATOM 0 HG22 THR A 100 -2.110 9.630 6.115 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.395 8.051 6.518 1.00 0.00 H new ATOM 1464 N TYR A 101 1.730 11.253 3.983 1.00 0.00 N ATOM 1465 CA TYR A 101 2.896 12.081 3.698 1.00 0.00 C ATOM 1466 C TYR A 101 2.788 13.432 4.397 1.00 0.00 C ATOM 1467 O TYR A 101 1.962 14.269 4.032 1.00 0.00 O ATOM 1468 CB TYR A 101 3.046 12.285 2.189 1.00 0.00 C ATOM 1469 CG TYR A 101 4.345 12.950 1.795 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.630 14.252 2.188 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.288 12.277 1.028 1.00 0.00 C ATOM 1472 CE1 TYR A 101 5.815 14.864 1.830 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.477 12.880 0.666 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.736 14.174 1.069 1.00 0.00 C ATOM 1475 OH TYR A 101 7.918 14.778 0.709 1.00 0.00 O ATOM 0 H TYR A 101 0.923 11.443 3.389 1.00 0.00 H new ATOM 0 HA TYR A 101 3.778 11.565 4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.977 11.318 1.691 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.214 12.889 1.828 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.912 14.795 2.784 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.088 11.265 0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.020 15.877 2.144 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.200 12.342 0.071 1.00 0.00 H new ATOM 0 HH TYR A 101 7.727 15.615 0.237 1.00 0.00 H new ATOM 1485 N ASP A 102 3.630 13.638 5.404 1.00 0.00 N ATOM 1486 CA ASP A 102 3.632 14.888 6.155 1.00 0.00 C ATOM 1487 C ASP A 102 2.304 15.090 6.879 1.00 0.00 C ATOM 1488 O ASP A 102 1.744 16.186 6.874 1.00 0.00 O ATOM 1489 CB ASP A 102 3.903 16.069 5.221 1.00 0.00 C ATOM 1490 CG ASP A 102 4.267 17.332 5.976 1.00 0.00 C ATOM 1491 OD1 ASP A 102 3.760 17.518 7.102 1.00 0.00 O ATOM 1492 OD2 ASP A 102 5.060 18.134 5.440 1.00 0.00 O ATOM 0 H ASP A 102 4.320 12.956 5.719 1.00 0.00 H new ATOM 0 HA ASP A 102 4.426 14.834 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.713 15.811 4.539 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.020 16.256 4.610 1.00 0.00 H new ATOM 1497 N ASP A 103 1.807 14.026 7.499 1.00 0.00 N ATOM 1498 CA ASP A 103 0.545 14.085 8.227 1.00 0.00 C ATOM 1499 C ASP A 103 -0.625 14.296 7.271 1.00 0.00 C ATOM 1500 O ASP A 103 -1.643 14.882 7.639 1.00 0.00 O ATOM 1501 CB ASP A 103 0.582 15.210 9.263 1.00 0.00 C ATOM 1502 CG ASP A 103 1.843 15.180 10.105 1.00 0.00 C ATOM 1503 OD1 ASP A 103 1.911 14.358 11.042 1.00 0.00 O ATOM 1504 OD2 ASP A 103 2.761 15.980 9.827 1.00 0.00 O ATOM 0 H ASP A 103 2.259 13.112 7.512 1.00 0.00 H new ATOM 0 HA ASP A 103 0.405 13.133 8.740 1.00 0.00 H new ATOM 0 HB2 ASP A 103 0.511 16.171 8.754 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -0.288 15.129 9.914 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.471 13.816 6.041 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.514 13.952 5.031 1.00 0.00 C ATOM 1511 C VAL A 104 -1.613 12.698 4.171 1.00 0.00 C ATOM 1512 O VAL A 104 -0.648 12.273 3.535 1.00 0.00 O ATOM 1513 CB VAL A 104 -1.259 15.168 4.120 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.307 15.241 3.021 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -1.240 16.451 4.937 1.00 0.00 C ATOM 0 H VAL A 104 0.366 13.329 5.720 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.453 14.098 5.564 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.283 15.050 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -2.110 16.106 2.388 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.266 14.334 2.419 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.297 15.336 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.059 17.300 4.277 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -2.200 16.578 5.437 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.447 16.396 5.683 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.808 12.089 4.147 1.00 0.00 N ATOM 1526 CA PRO A 105 -3.062 10.874 3.367 1.00 0.00 C ATOM 1527 C PRO A 105 -3.058 11.138 1.865 1.00 0.00 C ATOM 1528 O PRO A 105 -3.332 12.253 1.421 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.455 10.440 3.830 1.00 0.00 C ATOM 1530 CG PRO A 105 -5.105 11.695 4.303 1.00 0.00 C ATOM 1531 CD PRO A 105 -4.003 12.540 4.880 1.00 0.00 C ATOM 0 HA PRO A 105 -2.291 10.120 3.525 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -5.019 9.985 3.016 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.394 9.700 4.628 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.603 12.210 3.481 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.866 11.481 5.053 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -4.190 13.603 4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.898 12.385 5.954 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.745 10.106 1.089 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.707 10.227 -0.363 1.00 0.00 C ATOM 1541 C ILE A 106 -4.009 9.740 -0.990 1.00 0.00 C ATOM 1542 O ILE A 106 -4.747 8.944 -0.408 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.533 9.433 -0.964 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.378 8.089 -0.249 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.246 10.239 -0.871 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.341 7.186 -0.877 1.00 0.00 C ATOM 0 H ILE A 106 -2.514 9.177 1.441 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.572 11.285 -0.587 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.744 9.242 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.108 8.269 0.792 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.340 7.576 -0.245 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.575 9.664 -1.300 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.361 11.173 -1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.028 10.458 0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.285 6.252 -0.318 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.620 6.975 -1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.631 7.679 -0.857 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.299 10.226 -2.206 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.512 9.852 -2.939 1.00 0.00 C ATOM 1560 C PRO A 107 -5.476 8.405 -3.419 1.00 0.00 C ATOM 1561 O PRO A 107 -6.393 7.942 -4.096 1.00 0.00 O ATOM 1562 CB PRO A 107 -5.515 10.811 -4.132 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.084 11.176 -4.329 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.466 11.179 -2.958 1.00 0.00 C ATOM 0 HA PRO A 107 -6.403 9.923 -2.315 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -5.928 10.335 -5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.124 11.692 -3.930 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.584 10.459 -4.981 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -3.992 12.154 -4.801 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.423 10.865 -2.987 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.488 12.172 -2.510 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.410 7.695 -3.064 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.254 6.300 -3.459 1.00 0.00 C ATOM 1574 C ASN A 108 -4.557 5.367 -2.291 1.00 0.00 C ATOM 1575 O ASN A 108 -4.845 4.186 -2.485 1.00 0.00 O ATOM 1576 CB ASN A 108 -2.835 6.048 -3.973 1.00 0.00 C ATOM 1577 CG ASN A 108 -2.376 7.114 -4.950 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -1.359 7.772 -4.735 1.00 0.00 O ATOM 1579 ND2 ASN A 108 -3.128 7.289 -6.030 1.00 0.00 N ATOM 0 H ASN A 108 -3.641 8.063 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 108 -4.964 6.094 -4.260 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.147 6.012 -3.129 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -2.795 5.073 -4.458 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -2.870 7.992 -6.722 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.963 6.720 -6.167 1.00 0.00 H new ATOM 1586 N SER A 109 -4.489 5.905 -1.077 1.00 0.00 N ATOM 1587 CA SER A 109 -4.753 5.121 0.123 1.00 0.00 C ATOM 1588 C SER A 109 -6.170 5.366 0.632 1.00 0.00 C ATOM 1589 O SER A 109 -6.815 6.359 0.295 1.00 0.00 O ATOM 1590 CB SER A 109 -3.740 5.466 1.216 1.00 0.00 C ATOM 1591 OG SER A 109 -2.615 4.605 1.160 1.00 0.00 O ATOM 0 H SER A 109 -4.253 6.881 -0.899 1.00 0.00 H new ATOM 0 HA SER A 109 -4.655 4.066 -0.134 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.416 6.500 1.102 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.214 5.386 2.194 1.00 0.00 H new ATOM 0 HG SER A 109 -2.593 4.151 0.292 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.668 4.439 1.464 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.910 3.252 1.871 1.00 0.00 C ATOM 1599 C PRO A 110 -5.720 2.264 0.726 1.00 0.00 C ATOM 1600 O PRO A 110 -6.436 2.312 -0.274 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.779 2.636 2.970 1.00 0.00 C ATOM 1602 CG PRO A 110 -8.160 3.106 2.670 1.00 0.00 C ATOM 1603 CD PRO A 110 -8.009 4.477 2.070 1.00 0.00 C ATOM 0 HA PRO A 110 -4.901 3.505 2.197 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.720 1.548 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -6.456 2.962 3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.661 2.430 1.977 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.766 3.141 3.575 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.780 4.677 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -8.086 5.257 2.827 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.750 1.367 0.878 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.466 0.367 -0.145 1.00 0.00 C ATOM 1613 C PHE A 111 -4.987 -1.004 0.276 1.00 0.00 C ATOM 1614 O PHE A 111 -5.346 -1.216 1.434 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.961 0.294 -0.412 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.460 1.381 -1.319 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.706 1.332 -2.682 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.743 2.451 -0.810 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -2.247 2.331 -3.520 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -1.281 3.453 -1.642 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.532 3.392 -2.999 1.00 0.00 C ATOM 0 H PHE A 111 -4.148 1.313 1.700 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.976 0.664 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.428 0.350 0.537 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.725 -0.674 -0.853 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.263 0.504 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.543 2.503 0.250 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.447 2.282 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.724 4.283 -1.232 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.170 4.173 -3.652 1.00 0.00 H new ATOM 1631 N LYS A 112 -5.025 -1.932 -0.674 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.501 -3.284 -0.404 1.00 0.00 C ATOM 1633 C LYS A 112 -4.565 -4.322 -1.015 1.00 0.00 C ATOM 1634 O LYS A 112 -4.575 -4.547 -2.225 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.915 -3.469 -0.958 1.00 0.00 C ATOM 1636 CG LYS A 112 -8.008 -3.065 0.016 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.282 -2.666 -0.709 1.00 0.00 C ATOM 1638 CE LYS A 112 -10.161 -1.777 0.157 1.00 0.00 C ATOM 1639 NZ LYS A 112 -11.464 -1.477 -0.499 1.00 0.00 N ATOM 0 H LYS A 112 -4.732 -1.773 -1.638 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.519 -3.427 0.676 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.018 -2.882 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.054 -4.514 -1.234 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -8.218 -3.893 0.693 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.661 -2.233 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.029 -2.142 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.836 -3.561 -0.993 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -10.341 -2.266 1.114 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -9.638 -0.845 0.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -12.034 -0.869 0.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -11.294 -0.988 -1.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.975 -2.365 -0.678 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.757 -4.954 -0.169 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.816 -5.970 -0.625 1.00 0.00 C ATOM 1655 C VAL A 113 -3.326 -7.372 -0.310 1.00 0.00 C ATOM 1656 O VAL A 113 -3.263 -7.824 0.832 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.430 -5.783 0.021 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.483 -6.888 -0.418 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.863 -4.414 -0.324 1.00 0.00 C ATOM 0 H VAL A 113 -3.735 -4.780 0.836 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.724 -5.854 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.541 -5.843 1.104 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.491 -6.739 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.886 -7.854 -0.115 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.374 -6.864 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.116 -4.298 0.140 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.765 -4.323 -1.406 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.534 -3.639 0.046 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.832 -8.055 -1.332 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.351 -9.406 -1.165 1.00 0.00 C ATOM 1671 C ALA A 114 -3.244 -10.443 -1.327 1.00 0.00 C ATOM 1672 O ALA A 114 -2.840 -10.766 -2.444 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.471 -9.668 -2.161 1.00 0.00 C ATOM 0 H ALA A 114 -3.893 -7.694 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.750 -9.493 -0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.849 -10.681 -2.025 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.278 -8.954 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.089 -9.557 -3.176 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.757 -10.962 -0.204 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.697 -11.963 -0.221 1.00 0.00 C ATOM 1681 C VAL A 115 -2.227 -13.317 -0.681 1.00 0.00 C ATOM 1682 O VAL A 115 -3.378 -13.667 -0.419 1.00 0.00 O ATOM 1683 CB VAL A 115 -1.052 -12.121 1.168 1.00 0.00 C ATOM 1684 CG1 VAL A 115 0.048 -13.172 1.130 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.510 -10.787 1.658 1.00 0.00 C ATOM 0 H VAL A 115 -3.080 -10.706 0.729 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.942 -11.613 -0.926 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.817 -12.456 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.492 -13.270 2.121 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.374 -14.130 0.826 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.815 -12.870 0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -0.058 -10.917 2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.241 -10.420 0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.325 -10.066 1.726 1.00 0.00 H new ATOM 1695 N THR A 116 -1.379 -14.076 -1.368 1.00 0.00 N ATOM 1696 CA THR A 116 -1.761 -15.391 -1.865 1.00 0.00 C ATOM 1697 C THR A 116 -0.768 -16.458 -1.418 1.00 0.00 C ATOM 1698 O THR A 116 0.422 -16.185 -1.267 1.00 0.00 O ATOM 1699 CB THR A 116 -1.855 -15.406 -3.403 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.254 -16.703 -3.857 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.521 -15.031 -4.030 1.00 0.00 C ATOM 0 H THR A 116 -0.423 -13.802 -1.593 1.00 0.00 H new ATOM 0 HA THR A 116 -2.742 -15.613 -1.446 1.00 0.00 H new ATOM 0 HB THR A 116 -2.600 -14.671 -3.707 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.313 -16.703 -4.835 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.612 -15.048 -5.116 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.235 -14.030 -3.706 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.241 -15.745 -3.718 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.265 -17.673 -1.209 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.420 -18.780 -0.779 1.00 0.00 C ATOM 1711 C GLU A 117 0.691 -19.042 -1.793 1.00 0.00 C ATOM 1712 O GLU A 117 0.432 -19.467 -2.918 1.00 0.00 O ATOM 1713 CB GLU A 117 -1.257 -20.046 -0.586 1.00 0.00 C ATOM 1714 CG GLU A 117 -2.102 -20.029 0.677 1.00 0.00 C ATOM 1715 CD GLU A 117 -2.619 -21.405 1.051 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -3.627 -21.843 0.458 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -2.014 -22.044 1.938 1.00 0.00 O ATOM 0 H GLU A 117 -2.248 -17.915 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 117 0.036 -18.506 0.172 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.911 -20.175 -1.449 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.593 -20.910 -0.557 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.509 -19.631 1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.946 -19.354 0.536 1.00 0.00 H new