USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 690 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 40 TYR OH : rot 15:sc= -0.162 USER MOD Set 1.2: A 92 ASN : amide:sc= 0 X(o=-0.16,f=-0.61) USER MOD Single : A 0 MET CE :methyl 169:sc= -1.83 (180deg=-2.3!) USER MOD Single : A 0 MET N :NH3+ -177:sc= 0 (180deg=-0.0062) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.206 (180deg=-0.835) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0195) USER MOD Single : A 5 THR OG1 : rot -176:sc= 1.03 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.93) USER MOD Single : A 21 THR OG1 : rot 146:sc= -0.977 USER MOD Single : A 24 MET CE :methyl -127:sc= -1.2 (180deg=-1.62) USER MOD Single : A 25 CYS SG : rot 117:sc= -0.774 USER MOD Single : A 33 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0046) USER MOD Single : A 37 SER OG : rot 25:sc= 0.0329 USER MOD Single : A 42 MET CE :methyl -164:sc= -0.163 (180deg=-0.624) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -66:sc= 1.1 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 71:sc= 0.683 USER MOD Single : A 73 GLN : amide:sc= 1.07 K(o=1.1,f=-0.1) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 87 HIS : no HD1:sc= -0.294 X(o=-0.29,f=-0.0057) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 99.268 9.333 -3.266 1.00 0.00 N ATOM 296 CA MET A 0 98.263 8.485 -2.625 1.00 0.00 C ATOM 297 C MET A 0 97.240 7.958 -3.620 1.00 0.00 C ATOM 298 O MET A 0 96.292 8.646 -4.000 1.00 0.00 O ATOM 299 CB MET A 0 97.568 9.204 -1.467 1.00 0.00 C ATOM 300 CG MET A 0 98.499 9.495 -0.304 1.00 0.00 C ATOM 301 SD MET A 0 99.523 8.072 0.122 1.00 0.00 S ATOM 302 CE MET A 0 98.278 6.819 0.431 1.00 0.00 C ATOM 0 H1 MET A 0 99.973 9.629 -2.561 1.00 0.00 H new ATOM 0 H2 MET A 0 99.739 8.800 -4.025 1.00 0.00 H new ATOM 0 H3 MET A 0 98.807 10.174 -3.668 1.00 0.00 H new ATOM 0 HA MET A 0 98.799 7.628 -2.216 1.00 0.00 H new ATOM 0 HB2 MET A 0 97.145 10.141 -1.830 1.00 0.00 H new ATOM 0 HB3 MET A 0 96.736 8.594 -1.115 1.00 0.00 H new ATOM 0 HG2 MET A 0 99.140 10.339 -0.557 1.00 0.00 H new ATOM 0 HG3 MET A 0 97.911 9.790 0.565 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.756 5.843 0.513 1.00 0.00 H new ATOM 0 HE2 MET A 0 97.756 7.046 1.360 1.00 0.00 H new ATOM 0 HE3 MET A 0 97.564 6.805 -0.392 1.00 0.00 H new ATOM 312 N MET A 1 97.452 6.720 -4.036 1.00 0.00 N ATOM 313 CA MET A 1 96.551 6.049 -4.964 1.00 0.00 C ATOM 314 C MET A 1 95.885 4.841 -4.315 1.00 0.00 C ATOM 315 O MET A 1 95.720 3.801 -4.952 1.00 0.00 O ATOM 316 CB MET A 1 97.309 5.598 -6.214 1.00 0.00 C ATOM 317 CG MET A 1 97.767 6.738 -7.105 1.00 0.00 C ATOM 318 SD MET A 1 98.640 6.159 -8.573 1.00 0.00 S ATOM 319 CE MET A 1 97.372 5.159 -9.350 1.00 0.00 C ATOM 0 H MET A 1 98.248 6.153 -3.743 1.00 0.00 H new ATOM 0 HA MET A 1 95.778 6.765 -5.244 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.179 5.017 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 1 96.669 4.932 -6.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 96.902 7.327 -7.409 1.00 0.00 H new ATOM 0 HG3 MET A 1 98.419 7.400 -6.536 1.00 0.00 H new ATOM 0 HE1 MET A 1 97.600 5.040 -10.409 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.339 4.179 -8.874 1.00 0.00 H new ATOM 0 HE3 MET A 1 96.404 5.649 -9.240 1.00 0.00 H new ATOM 329 N PHE A 2 95.511 4.969 -3.048 1.00 0.00 N ATOM 330 CA PHE A 2 94.751 3.914 -2.389 1.00 0.00 C ATOM 331 C PHE A 2 93.317 3.948 -2.905 1.00 0.00 C ATOM 332 O PHE A 2 92.528 4.819 -2.535 1.00 0.00 O ATOM 333 CB PHE A 2 94.781 4.069 -0.863 1.00 0.00 C ATOM 334 CG PHE A 2 94.194 2.890 -0.125 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.979 1.785 0.177 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.863 2.884 0.260 1.00 0.00 C ATOM 337 CE1 PHE A 2 94.445 0.699 0.851 1.00 0.00 C ATOM 338 CE2 PHE A 2 92.325 1.801 0.935 1.00 0.00 C ATOM 339 CZ PHE A 2 93.117 0.709 1.231 1.00 0.00 C ATOM 0 H PHE A 2 95.717 5.779 -2.464 1.00 0.00 H new ATOM 0 HA PHE A 2 95.206 2.951 -2.621 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.812 4.212 -0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.233 4.970 -0.587 1.00 0.00 H new ATOM 0 HD1 PHE A 2 96.018 1.772 -0.117 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.238 3.734 0.031 1.00 0.00 H new ATOM 0 HE1 PHE A 2 95.066 -0.154 1.079 1.00 0.00 H new ATOM 0 HE2 PHE A 2 91.286 1.810 1.230 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.699 -0.136 1.759 1.00 0.00 H new ATOM 349 N LYS A 3 93.000 3.011 -3.781 1.00 0.00 N ATOM 350 CA LYS A 3 91.721 3.008 -4.469 1.00 0.00 C ATOM 351 C LYS A 3 90.835 1.893 -3.930 1.00 0.00 C ATOM 352 O LYS A 3 91.224 0.725 -3.927 1.00 0.00 O ATOM 353 CB LYS A 3 91.953 2.842 -5.974 1.00 0.00 C ATOM 354 CG LYS A 3 90.733 3.137 -6.828 1.00 0.00 C ATOM 355 CD LYS A 3 91.078 3.089 -8.308 1.00 0.00 C ATOM 356 CE LYS A 3 89.890 3.468 -9.178 1.00 0.00 C ATOM 357 NZ LYS A 3 88.787 2.475 -9.092 1.00 0.00 N ATOM 0 H LYS A 3 93.615 2.238 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 3 91.212 3.956 -4.294 1.00 0.00 H new ATOM 0 HB2 LYS A 3 92.765 3.502 -6.280 1.00 0.00 H new ATOM 0 HB3 LYS A 3 92.281 1.821 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 3 89.949 2.412 -6.610 1.00 0.00 H new ATOM 0 HG3 LYS A 3 90.337 4.121 -6.575 1.00 0.00 H new ATOM 0 HD2 LYS A 3 91.907 3.767 -8.510 1.00 0.00 H new ATOM 0 HD3 LYS A 3 91.415 2.086 -8.570 1.00 0.00 H new ATOM 0 HE2 LYS A 3 89.519 4.447 -8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 3 90.215 3.557 -10.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 88.044 2.721 -9.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 89.156 1.527 -9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 88.388 2.481 -8.131 1.00 0.00 H new ATOM 371 N LEU A 4 89.653 2.261 -3.467 1.00 0.00 N ATOM 372 CA LEU A 4 88.726 1.306 -2.880 1.00 0.00 C ATOM 373 C LEU A 4 87.490 1.187 -3.763 1.00 0.00 C ATOM 374 O LEU A 4 86.858 2.196 -4.076 1.00 0.00 O ATOM 375 CB LEU A 4 88.329 1.782 -1.474 1.00 0.00 C ATOM 376 CG LEU A 4 88.104 0.683 -0.430 1.00 0.00 C ATOM 377 CD1 LEU A 4 87.774 1.299 0.921 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.000 -0.268 -0.858 1.00 0.00 C ATOM 0 H LEU A 4 89.310 3.221 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 4 89.202 0.328 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.107 2.451 -1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 4 87.415 2.370 -1.556 1.00 0.00 H new ATOM 0 HG LEU A 4 89.027 0.109 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.617 0.507 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.600 1.933 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 4 86.868 1.899 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.865 -1.036 -0.096 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.070 0.287 -0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 4 87.271 -0.739 -1.803 1.00 0.00 H new ATOM 390 N THR A 5 87.157 -0.032 -4.183 1.00 0.00 N ATOM 391 CA THR A 5 85.981 -0.248 -5.019 1.00 0.00 C ATOM 392 C THR A 5 84.711 0.149 -4.268 1.00 0.00 C ATOM 393 O THR A 5 84.511 -0.256 -3.125 1.00 0.00 O ATOM 394 CB THR A 5 85.872 -1.714 -5.491 1.00 0.00 C ATOM 395 OG1 THR A 5 86.082 -2.611 -4.393 1.00 0.00 O ATOM 396 CG2 THR A 5 86.881 -2.009 -6.590 1.00 0.00 C ATOM 0 H THR A 5 87.681 -0.878 -3.960 1.00 0.00 H new ATOM 0 HA THR A 5 86.092 0.382 -5.902 1.00 0.00 H new ATOM 0 HB THR A 5 84.868 -1.862 -5.889 1.00 0.00 H new ATOM 0 HG1 THR A 5 86.067 -3.535 -4.718 1.00 0.00 H new ATOM 0 HG21 THR A 5 86.783 -3.048 -6.904 1.00 0.00 H new ATOM 0 HG22 THR A 5 86.695 -1.353 -7.441 1.00 0.00 H new ATOM 0 HG23 THR A 5 87.889 -1.837 -6.214 1.00 0.00 H new ATOM 404 N PRO A 6 83.847 0.965 -4.900 1.00 0.00 N ATOM 405 CA PRO A 6 82.613 1.467 -4.284 1.00 0.00 C ATOM 406 C PRO A 6 81.772 0.362 -3.642 1.00 0.00 C ATOM 407 O PRO A 6 81.188 0.562 -2.576 1.00 0.00 O ATOM 408 CB PRO A 6 81.849 2.119 -5.447 1.00 0.00 C ATOM 409 CG PRO A 6 82.606 1.764 -6.686 1.00 0.00 C ATOM 410 CD PRO A 6 84.016 1.483 -6.261 1.00 0.00 C ATOM 0 HA PRO A 6 82.835 2.156 -3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 6 80.824 1.750 -5.496 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.793 3.200 -5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 6 82.167 0.893 -7.172 1.00 0.00 H new ATOM 0 HG3 PRO A 6 82.574 2.581 -7.407 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.498 0.755 -6.914 1.00 0.00 H new ATOM 0 HD3 PRO A 6 84.631 2.383 -6.278 1.00 0.00 H new ATOM 418 N ALA A 7 81.721 -0.801 -4.285 1.00 0.00 N ATOM 419 CA ALA A 7 80.983 -1.939 -3.746 1.00 0.00 C ATOM 420 C ALA A 7 81.561 -2.380 -2.405 1.00 0.00 C ATOM 421 O ALA A 7 80.829 -2.582 -1.435 1.00 0.00 O ATOM 422 CB ALA A 7 80.994 -3.095 -4.731 1.00 0.00 C ATOM 0 H ALA A 7 82.181 -0.980 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 7 79.951 -1.626 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.439 -3.935 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA A 7 80.528 -2.781 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.023 -3.400 -4.923 1.00 0.00 H new ATOM 428 N ALA A 8 82.882 -2.507 -2.349 1.00 0.00 N ATOM 429 CA ALA A 8 83.554 -2.907 -1.122 1.00 0.00 C ATOM 430 C ALA A 8 83.496 -1.784 -0.097 1.00 0.00 C ATOM 431 O ALA A 8 83.359 -2.031 1.098 1.00 0.00 O ATOM 432 CB ALA A 8 84.998 -3.295 -1.399 1.00 0.00 C ATOM 0 H ALA A 8 83.506 -2.339 -3.138 1.00 0.00 H new ATOM 0 HA ALA A 8 83.037 -3.778 -0.718 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.481 -3.590 -0.467 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.023 -4.129 -2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.527 -2.444 -1.828 1.00 0.00 H new ATOM 438 N ALA A 9 83.586 -0.551 -0.580 1.00 0.00 N ATOM 439 CA ALA A 9 83.509 0.622 0.282 1.00 0.00 C ATOM 440 C ALA A 9 82.176 0.665 1.015 1.00 0.00 C ATOM 441 O ALA A 9 82.123 0.952 2.211 1.00 0.00 O ATOM 442 CB ALA A 9 83.714 1.894 -0.529 1.00 0.00 C ATOM 0 H ALA A 9 83.713 -0.337 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 9 84.304 0.554 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.653 2.760 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.694 1.868 -1.005 1.00 0.00 H new ATOM 0 HB3 ALA A 9 82.941 1.966 -1.294 1.00 0.00 H new ATOM 448 N GLU A 10 81.103 0.361 0.298 1.00 0.00 N ATOM 449 CA GLU A 10 79.771 0.343 0.887 1.00 0.00 C ATOM 450 C GLU A 10 79.640 -0.808 1.883 1.00 0.00 C ATOM 451 O GLU A 10 78.913 -0.704 2.874 1.00 0.00 O ATOM 452 CB GLU A 10 78.707 0.234 -0.209 1.00 0.00 C ATOM 453 CG GLU A 10 77.282 0.324 0.311 1.00 0.00 C ATOM 454 CD GLU A 10 76.261 0.419 -0.800 1.00 0.00 C ATOM 455 OE1 GLU A 10 75.833 -0.632 -1.318 1.00 0.00 O ATOM 456 OE2 GLU A 10 75.870 1.550 -1.156 1.00 0.00 O ATOM 0 H GLU A 10 81.129 0.123 -0.694 1.00 0.00 H new ATOM 0 HA GLU A 10 79.617 1.278 1.426 1.00 0.00 H new ATOM 0 HB2 GLU A 10 78.868 1.027 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 10 78.834 -0.713 -0.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 77.067 -0.552 0.923 1.00 0.00 H new ATOM 0 HG3 GLU A 10 77.190 1.196 0.959 1.00 0.00 H new ATOM 463 N GLN A 11 80.357 -1.897 1.623 1.00 0.00 N ATOM 464 CA GLN A 11 80.370 -3.037 2.533 1.00 0.00 C ATOM 465 C GLN A 11 81.129 -2.680 3.810 1.00 0.00 C ATOM 466 O GLN A 11 80.691 -3.000 4.914 1.00 0.00 O ATOM 467 CB GLN A 11 81.007 -4.258 1.862 1.00 0.00 C ATOM 468 CG GLN A 11 80.848 -5.544 2.659 1.00 0.00 C ATOM 469 CD GLN A 11 81.508 -6.733 1.990 1.00 0.00 C ATOM 470 OE1 GLN A 11 81.628 -6.788 0.768 1.00 0.00 O ATOM 471 NE2 GLN A 11 81.928 -7.703 2.786 1.00 0.00 N ATOM 0 H GLN A 11 80.936 -2.014 0.791 1.00 0.00 H new ATOM 0 HA GLN A 11 79.340 -3.286 2.790 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.562 -4.394 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.069 -4.065 1.708 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.277 -5.407 3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.787 -5.753 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.811 -7.621 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.369 -8.533 2.390 1.00 0.00 H new ATOM 480 N VAL A 12 82.264 -2.003 3.650 1.00 0.00 N ATOM 481 CA VAL A 12 83.035 -1.518 4.792 1.00 0.00 C ATOM 482 C VAL A 12 82.223 -0.491 5.577 1.00 0.00 C ATOM 483 O VAL A 12 82.228 -0.484 6.810 1.00 0.00 O ATOM 484 CB VAL A 12 84.377 -0.887 4.346 1.00 0.00 C ATOM 485 CG1 VAL A 12 85.137 -0.320 5.538 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.231 -1.909 3.612 1.00 0.00 C ATOM 0 H VAL A 12 82.670 -1.778 2.742 1.00 0.00 H new ATOM 0 HA VAL A 12 83.256 -2.375 5.428 1.00 0.00 H new ATOM 0 HB VAL A 12 84.152 -0.067 3.664 1.00 0.00 H new ATOM 0 HG11 VAL A 12 86.075 0.117 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.534 0.448 6.022 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.346 -1.119 6.249 1.00 0.00 H new ATOM 0 HG21 VAL A 12 86.170 -1.447 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.439 -2.751 4.272 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.697 -2.263 2.730 1.00 0.00 H new ATOM 496 N LEU A 13 81.509 0.363 4.852 1.00 0.00 N ATOM 497 CA LEU A 13 80.639 1.356 5.465 1.00 0.00 C ATOM 498 C LEU A 13 79.547 0.673 6.285 1.00 0.00 C ATOM 499 O LEU A 13 79.134 1.176 7.330 1.00 0.00 O ATOM 500 CB LEU A 13 80.015 2.250 4.387 1.00 0.00 C ATOM 501 CG LEU A 13 79.141 3.395 4.904 1.00 0.00 C ATOM 502 CD1 LEU A 13 79.964 4.363 5.744 1.00 0.00 C ATOM 503 CD2 LEU A 13 78.479 4.123 3.745 1.00 0.00 C ATOM 0 H LEU A 13 81.517 0.386 3.832 1.00 0.00 H new ATOM 0 HA LEU A 13 81.236 1.977 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.817 2.673 3.782 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.413 1.626 3.727 1.00 0.00 H new ATOM 0 HG LEU A 13 78.361 2.972 5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 13 79.324 5.169 6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 13 80.391 3.833 6.596 1.00 0.00 H new ATOM 0 HD13 LEU A 13 80.767 4.780 5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 13 77.861 4.934 4.130 1.00 0.00 H new ATOM 0 HD22 LEU A 13 79.246 4.532 3.087 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.855 3.426 3.186 1.00 0.00 H new ATOM 515 N LYS A 14 79.093 -0.486 5.813 1.00 0.00 N ATOM 516 CA LYS A 14 78.078 -1.255 6.524 1.00 0.00 C ATOM 517 C LYS A 14 78.624 -1.734 7.865 1.00 0.00 C ATOM 518 O LYS A 14 77.925 -1.709 8.876 1.00 0.00 O ATOM 519 CB LYS A 14 77.627 -2.458 5.693 1.00 0.00 C ATOM 520 CG LYS A 14 76.432 -3.185 6.286 1.00 0.00 C ATOM 521 CD LYS A 14 76.162 -4.503 5.579 1.00 0.00 C ATOM 522 CE LYS A 14 74.879 -5.141 6.083 1.00 0.00 C ATOM 523 NZ LYS A 14 74.725 -6.539 5.605 1.00 0.00 N ATOM 0 H LYS A 14 79.412 -0.911 4.943 1.00 0.00 H new ATOM 0 HA LYS A 14 77.219 -0.606 6.695 1.00 0.00 H new ATOM 0 HB2 LYS A 14 77.376 -2.122 4.687 1.00 0.00 H new ATOM 0 HB3 LYS A 14 78.458 -3.157 5.598 1.00 0.00 H new ATOM 0 HG2 LYS A 14 76.609 -3.371 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 14 75.550 -2.549 6.217 1.00 0.00 H new ATOM 0 HD2 LYS A 14 76.090 -4.335 4.504 1.00 0.00 H new ATOM 0 HD3 LYS A 14 76.998 -5.184 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 14 74.872 -5.128 7.173 1.00 0.00 H new ATOM 0 HE3 LYS A 14 74.026 -4.549 5.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 73.837 -6.936 5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 74.705 -6.550 4.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 75.525 -7.111 5.942 1.00 0.00 H new ATOM 537 N ALA A 15 79.882 -2.160 7.865 1.00 0.00 N ATOM 538 CA ALA A 15 80.539 -2.611 9.086 1.00 0.00 C ATOM 539 C ALA A 15 80.650 -1.470 10.092 1.00 0.00 C ATOM 540 O ALA A 15 80.542 -1.682 11.300 1.00 0.00 O ATOM 541 CB ALA A 15 81.912 -3.182 8.769 1.00 0.00 C ATOM 0 H ALA A 15 80.468 -2.202 7.031 1.00 0.00 H new ATOM 0 HA ALA A 15 79.932 -3.399 9.532 1.00 0.00 H new ATOM 0 HB1 ALA A 15 82.390 -3.514 9.691 1.00 0.00 H new ATOM 0 HB2 ALA A 15 81.806 -4.028 8.090 1.00 0.00 H new ATOM 0 HB3 ALA A 15 82.526 -2.414 8.299 1.00 0.00 H new ATOM 547 N ALA A 16 80.855 -0.258 9.581 1.00 0.00 N ATOM 548 CA ALA A 16 80.913 0.932 10.423 1.00 0.00 C ATOM 549 C ALA A 16 79.556 1.196 11.063 1.00 0.00 C ATOM 550 O ALA A 16 79.471 1.595 12.225 1.00 0.00 O ATOM 551 CB ALA A 16 81.364 2.138 9.614 1.00 0.00 C ATOM 0 H ALA A 16 80.984 -0.075 8.586 1.00 0.00 H new ATOM 0 HA ALA A 16 81.642 0.759 11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.401 3.016 10.259 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.355 1.949 9.201 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.660 2.315 8.801 1.00 0.00 H new ATOM 557 N LYS A 17 78.497 0.962 10.297 1.00 0.00 N ATOM 558 CA LYS A 17 77.136 1.105 10.798 1.00 0.00 C ATOM 559 C LYS A 17 76.861 0.066 11.877 1.00 0.00 C ATOM 560 O LYS A 17 76.345 0.385 12.946 1.00 0.00 O ATOM 561 CB LYS A 17 76.132 0.932 9.656 1.00 0.00 C ATOM 562 CG LYS A 17 76.309 1.931 8.528 1.00 0.00 C ATOM 563 CD LYS A 17 75.459 1.558 7.325 1.00 0.00 C ATOM 564 CE LYS A 17 75.644 2.547 6.187 1.00 0.00 C ATOM 565 NZ LYS A 17 74.894 2.139 4.972 1.00 0.00 N ATOM 0 H LYS A 17 78.556 0.671 9.321 1.00 0.00 H new ATOM 0 HA LYS A 17 77.027 2.102 11.224 1.00 0.00 H new ATOM 0 HB2 LYS A 17 76.224 -0.077 9.253 1.00 0.00 H new ATOM 0 HB3 LYS A 17 75.122 1.024 10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 17 76.035 2.927 8.875 1.00 0.00 H new ATOM 0 HG3 LYS A 17 77.358 1.972 8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.725 0.557 6.986 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.409 1.527 7.615 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.309 3.534 6.506 1.00 0.00 H new ATOM 0 HE3 LYS A 17 76.704 2.632 5.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 75.046 2.840 4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 75.231 1.208 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 73.879 2.083 5.193 1.00 0.00 H new ATOM 579 N GLN A 18 77.228 -1.177 11.581 1.00 0.00 N ATOM 580 CA GLN A 18 77.010 -2.294 12.491 1.00 0.00 C ATOM 581 C GLN A 18 77.788 -2.123 13.792 1.00 0.00 C ATOM 582 O GLN A 18 77.219 -2.217 14.879 1.00 0.00 O ATOM 583 CB GLN A 18 77.408 -3.608 11.814 1.00 0.00 C ATOM 584 CG GLN A 18 76.449 -4.033 10.715 1.00 0.00 C ATOM 585 CD GLN A 18 75.083 -4.402 11.256 1.00 0.00 C ATOM 586 OE1 GLN A 18 74.958 -4.884 12.384 1.00 0.00 O ATOM 587 NE2 GLN A 18 74.047 -4.173 10.466 1.00 0.00 N ATOM 0 H GLN A 18 77.683 -1.437 10.706 1.00 0.00 H new ATOM 0 HA GLN A 18 75.949 -2.317 12.738 1.00 0.00 H new ATOM 0 HB2 GLN A 18 78.408 -3.503 11.393 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.459 -4.395 12.566 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.345 -3.223 9.993 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.868 -4.885 10.180 1.00 0.00 H new ATOM 0 HE21 GLN A 18 74.191 -3.773 9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 18 73.104 -4.397 10.784 1.00 0.00 H new ATOM 596 N GLY A 19 79.083 -1.858 13.676 1.00 0.00 N ATOM 597 CA GLY A 19 79.926 -1.742 14.850 1.00 0.00 C ATOM 598 C GLY A 19 79.765 -0.415 15.564 1.00 0.00 C ATOM 599 O GLY A 19 80.336 -0.210 16.636 1.00 0.00 O ATOM 0 H GLY A 19 79.565 -1.721 12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 19 79.691 -2.551 15.541 1.00 0.00 H new ATOM 0 HA3 GLY A 19 80.968 -1.866 14.556 1.00 0.00 H new ATOM 603 N GLY A 20 78.996 0.488 14.966 1.00 0.00 N ATOM 604 CA GLY A 20 78.780 1.798 15.553 1.00 0.00 C ATOM 605 C GLY A 20 80.020 2.664 15.480 1.00 0.00 C ATOM 606 O GLY A 20 80.123 3.685 16.157 1.00 0.00 O ATOM 0 H GLY A 20 78.515 0.335 14.079 1.00 0.00 H new ATOM 0 HA2 GLY A 20 77.959 2.296 15.037 1.00 0.00 H new ATOM 0 HA3 GLY A 20 78.479 1.683 16.594 1.00 0.00 H new ATOM 610 N THR A 21 80.952 2.266 14.628 1.00 0.00 N ATOM 611 CA THR A 21 82.232 2.938 14.508 1.00 0.00 C ATOM 612 C THR A 21 82.168 4.078 13.497 1.00 0.00 C ATOM 613 O THR A 21 83.193 4.532 12.995 1.00 0.00 O ATOM 614 CB THR A 21 83.318 1.935 14.091 1.00 0.00 C ATOM 615 OG1 THR A 21 82.830 1.108 13.026 1.00 0.00 O ATOM 616 CG2 THR A 21 83.729 1.065 15.269 1.00 0.00 C ATOM 0 H THR A 21 80.840 1.469 14.002 1.00 0.00 H new ATOM 0 HA THR A 21 82.480 3.360 15.482 1.00 0.00 H new ATOM 0 HB THR A 21 84.191 2.492 13.750 1.00 0.00 H new ATOM 0 HG1 THR A 21 83.569 0.881 12.423 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.499 0.362 14.951 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.120 1.695 16.068 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.862 0.513 15.634 1.00 0.00 H new ATOM 624 N GLU A 22 80.956 4.548 13.224 1.00 0.00 N ATOM 625 CA GLU A 22 80.745 5.639 12.279 1.00 0.00 C ATOM 626 C GLU A 22 81.319 6.945 12.830 1.00 0.00 C ATOM 627 O GLU A 22 81.736 7.821 12.069 1.00 0.00 O ATOM 628 CB GLU A 22 79.250 5.804 11.994 1.00 0.00 C ATOM 629 CG GLU A 22 78.943 6.808 10.894 1.00 0.00 C ATOM 630 CD GLU A 22 77.467 7.111 10.788 1.00 0.00 C ATOM 631 OE1 GLU A 22 76.985 7.984 11.540 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.778 6.477 9.961 1.00 0.00 O ATOM 0 H GLU A 22 80.100 4.188 13.646 1.00 0.00 H new ATOM 0 HA GLU A 22 81.261 5.397 11.350 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.833 4.836 11.716 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.747 6.117 12.909 1.00 0.00 H new ATOM 0 HG2 GLU A 22 79.488 7.732 11.086 1.00 0.00 H new ATOM 0 HG3 GLU A 22 79.301 6.419 9.941 1.00 0.00 H new ATOM 639 N GLY A 23 81.337 7.064 14.156 1.00 0.00 N ATOM 640 CA GLY A 23 81.916 8.233 14.796 1.00 0.00 C ATOM 641 C GLY A 23 83.430 8.164 14.824 1.00 0.00 C ATOM 642 O GLY A 23 84.106 9.132 15.173 1.00 0.00 O ATOM 0 H GLY A 23 80.959 6.369 14.800 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.602 9.132 14.265 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.536 8.316 15.814 1.00 0.00 H new ATOM 646 N MET A 24 83.955 7.009 14.451 1.00 0.00 N ATOM 647 CA MET A 24 85.390 6.802 14.367 1.00 0.00 C ATOM 648 C MET A 24 85.810 6.842 12.905 1.00 0.00 C ATOM 649 O MET A 24 84.962 6.968 12.021 1.00 0.00 O ATOM 650 CB MET A 24 85.767 5.458 14.998 1.00 0.00 C ATOM 651 CG MET A 24 85.298 5.320 16.438 1.00 0.00 C ATOM 652 SD MET A 24 85.569 3.670 17.117 1.00 0.00 S ATOM 653 CE MET A 24 87.355 3.623 17.206 1.00 0.00 C ATOM 0 H MET A 24 83.400 6.191 14.199 1.00 0.00 H new ATOM 0 HA MET A 24 85.908 7.590 14.913 1.00 0.00 H new ATOM 0 HB2 MET A 24 85.337 4.652 14.404 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.850 5.338 14.962 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.821 6.051 17.055 1.00 0.00 H new ATOM 0 HG3 MET A 24 84.236 5.559 16.492 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.721 2.733 16.695 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.767 4.511 16.727 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.667 3.596 18.250 1.00 0.00 H new ATOM 663 N CYS A 25 87.097 6.736 12.637 1.00 0.00 N ATOM 664 CA CYS A 25 87.574 6.795 11.266 1.00 0.00 C ATOM 665 C CYS A 25 88.358 5.535 10.924 1.00 0.00 C ATOM 666 O CYS A 25 88.824 4.823 11.815 1.00 0.00 O ATOM 667 CB CYS A 25 88.435 8.042 11.052 1.00 0.00 C ATOM 668 SG CYS A 25 88.756 8.429 9.315 1.00 0.00 S ATOM 0 H CYS A 25 87.825 6.610 13.340 1.00 0.00 H new ATOM 0 HA CYS A 25 86.713 6.856 10.600 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.942 8.895 11.518 1.00 0.00 H new ATOM 0 HB3 CYS A 25 89.387 7.905 11.565 1.00 0.00 H new ATOM 0 HG CYS A 25 88.229 9.581 9.022 1.00 0.00 H new ATOM 674 N LEU A 26 88.493 5.252 9.640 1.00 0.00 N ATOM 675 CA LEU A 26 89.180 4.051 9.205 1.00 0.00 C ATOM 676 C LEU A 26 90.679 4.299 9.115 1.00 0.00 C ATOM 677 O LEU A 26 91.160 4.913 8.164 1.00 0.00 O ATOM 678 CB LEU A 26 88.642 3.579 7.851 1.00 0.00 C ATOM 679 CG LEU A 26 89.180 2.228 7.374 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.739 1.117 8.316 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.718 1.941 5.955 1.00 0.00 C ATOM 0 H LEU A 26 88.137 5.836 8.883 1.00 0.00 H new ATOM 0 HA LEU A 26 88.997 3.269 9.942 1.00 0.00 H new ATOM 0 HB2 LEU A 26 87.555 3.519 7.910 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.880 4.333 7.100 1.00 0.00 H new ATOM 0 HG LEU A 26 90.269 2.270 7.378 1.00 0.00 H new ATOM 0 HD11 LEU A 26 89.130 0.163 7.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 89.120 1.316 9.317 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.650 1.075 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 26 89.110 0.976 5.633 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.629 1.918 5.925 1.00 0.00 H new ATOM 0 HD23 LEU A 26 89.083 2.722 5.288 1.00 0.00 H new ATOM 693 N ARG A 27 91.408 3.838 10.120 1.00 0.00 N ATOM 694 CA ARG A 27 92.856 3.954 10.122 1.00 0.00 C ATOM 695 C ARG A 27 93.463 2.627 9.688 1.00 0.00 C ATOM 696 O ARG A 27 93.137 1.572 10.237 1.00 0.00 O ATOM 697 CB ARG A 27 93.366 4.368 11.511 1.00 0.00 C ATOM 698 CG ARG A 27 94.871 4.578 11.568 1.00 0.00 C ATOM 699 CD ARG A 27 95.301 5.268 12.857 1.00 0.00 C ATOM 700 NE ARG A 27 94.997 4.479 14.052 1.00 0.00 N ATOM 701 CZ ARG A 27 95.314 4.861 15.292 1.00 0.00 C ATOM 702 NH1 ARG A 27 95.944 6.008 15.502 1.00 0.00 N ATOM 703 NH2 ARG A 27 95.001 4.097 16.327 1.00 0.00 N ATOM 0 H ARG A 27 91.019 3.380 10.944 1.00 0.00 H new ATOM 0 HA ARG A 27 93.159 4.730 9.419 1.00 0.00 H new ATOM 0 HB2 ARG A 27 92.867 5.289 11.813 1.00 0.00 H new ATOM 0 HB3 ARG A 27 93.086 3.602 12.235 1.00 0.00 H new ATOM 0 HG2 ARG A 27 95.375 3.615 11.486 1.00 0.00 H new ATOM 0 HG3 ARG A 27 95.187 5.176 10.713 1.00 0.00 H new ATOM 0 HD2 ARG A 27 96.373 5.463 12.819 1.00 0.00 H new ATOM 0 HD3 ARG A 27 94.803 6.235 12.929 1.00 0.00 H new ATOM 0 HE ARG A 27 94.516 3.588 13.931 1.00 0.00 H new ATOM 0 HH11 ARG A 27 96.190 6.606 14.714 1.00 0.00 H new ATOM 0 HH12 ARG A 27 96.182 6.292 16.452 1.00 0.00 H new ATOM 0 HH21 ARG A 27 94.516 3.212 16.179 1.00 0.00 H new ATOM 0 HH22 ARG A 27 95.245 4.393 17.272 1.00 0.00 H new ATOM 717 N LEU A 28 94.334 2.674 8.698 1.00 0.00 N ATOM 718 CA LEU A 28 94.875 1.455 8.118 1.00 0.00 C ATOM 719 C LEU A 28 96.179 1.057 8.795 1.00 0.00 C ATOM 720 O LEU A 28 97.018 1.903 9.105 1.00 0.00 O ATOM 721 CB LEU A 28 95.104 1.631 6.618 1.00 0.00 C ATOM 722 CG LEU A 28 93.876 2.043 5.808 1.00 0.00 C ATOM 723 CD1 LEU A 28 94.212 2.081 4.328 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.718 1.096 6.067 1.00 0.00 C ATOM 0 H LEU A 28 94.682 3.537 8.279 1.00 0.00 H new ATOM 0 HA LEU A 28 94.146 0.660 8.277 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.882 2.381 6.473 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.486 0.693 6.214 1.00 0.00 H new ATOM 0 HG LEU A 28 93.574 3.042 6.123 1.00 0.00 H new ATOM 0 HD11 LEU A 28 93.329 2.376 3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 28 95.011 2.802 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.538 1.093 4.003 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.854 1.408 5.480 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.005 0.084 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.463 1.115 7.126 1.00 0.00 H new ATOM 736 N ALA A 29 96.334 -0.236 9.025 1.00 0.00 N ATOM 737 CA ALA A 29 97.539 -0.768 9.640 1.00 0.00 C ATOM 738 C ALA A 29 98.288 -1.644 8.646 1.00 0.00 C ATOM 739 O ALA A 29 97.732 -2.602 8.107 1.00 0.00 O ATOM 740 CB ALA A 29 97.190 -1.557 10.892 1.00 0.00 C ATOM 0 H ALA A 29 95.635 -0.942 8.793 1.00 0.00 H new ATOM 0 HA ALA A 29 98.184 0.062 9.928 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.103 -1.949 11.341 1.00 0.00 H new ATOM 0 HB2 ALA A 29 96.686 -0.904 11.605 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.531 -2.384 10.629 1.00 0.00 H new ATOM 746 N ALA A 30 99.540 -1.306 8.394 1.00 0.00 N ATOM 747 CA ALA A 30 100.348 -2.036 7.434 1.00 0.00 C ATOM 748 C ALA A 30 101.568 -2.646 8.108 1.00 0.00 C ATOM 749 O ALA A 30 102.119 -2.075 9.051 1.00 0.00 O ATOM 750 CB ALA A 30 100.774 -1.118 6.298 1.00 0.00 C ATOM 0 H ALA A 30 100.021 -0.527 8.843 1.00 0.00 H new ATOM 0 HA ALA A 30 99.745 -2.846 7.023 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.379 -1.678 5.585 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.890 -0.727 5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.359 -0.290 6.699 1.00 0.00 H new ATOM 756 N GLY A 31 101.969 -3.813 7.635 1.00 0.00 N ATOM 757 CA GLY A 31 103.149 -4.469 8.157 1.00 0.00 C ATOM 758 C GLY A 31 103.837 -5.287 7.090 1.00 0.00 C ATOM 759 O GLY A 31 103.181 -6.016 6.348 1.00 0.00 O ATOM 0 H GLY A 31 101.493 -4.323 6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 31 103.840 -3.722 8.548 1.00 0.00 H new ATOM 0 HA3 GLY A 31 102.871 -5.114 8.990 1.00 0.00 H new ATOM 763 N ARG A 32 105.150 -5.163 6.991 1.00 0.00 N ATOM 764 CA ARG A 32 105.896 -5.873 5.966 1.00 0.00 C ATOM 765 C ARG A 32 105.878 -7.372 6.245 1.00 0.00 C ATOM 766 O ARG A 32 106.272 -7.814 7.325 1.00 0.00 O ATOM 767 CB ARG A 32 107.344 -5.383 5.908 1.00 0.00 C ATOM 768 CG ARG A 32 108.061 -5.766 4.624 1.00 0.00 C ATOM 769 CD ARG A 32 109.571 -5.713 4.795 1.00 0.00 C ATOM 770 NE ARG A 32 110.292 -5.763 3.517 1.00 0.00 N ATOM 771 CZ ARG A 32 110.273 -6.788 2.659 1.00 0.00 C ATOM 772 NH1 ARG A 32 109.488 -7.844 2.864 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.029 -6.743 1.570 1.00 0.00 N ATOM 0 H ARG A 32 105.719 -4.580 7.605 1.00 0.00 H new ATOM 0 HA ARG A 32 105.420 -5.676 5.005 1.00 0.00 H new ATOM 0 HB2 ARG A 32 107.357 -4.298 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 32 107.892 -5.792 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 32 107.762 -6.771 4.324 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.760 -5.092 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.840 -4.798 5.323 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.891 -6.547 5.420 1.00 0.00 H new ATOM 0 HE ARG A 32 110.853 -4.950 3.263 1.00 0.00 H new ATOM 0 HH11 ARG A 32 108.887 -7.881 3.687 1.00 0.00 H new ATOM 0 HH12 ARG A 32 109.488 -8.616 2.198 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.619 -5.930 1.392 1.00 0.00 H new ATOM 0 HH22 ARG A 32 111.020 -7.521 0.910 1.00 0.00 H new ATOM 787 N ASN A 33 105.405 -8.144 5.280 1.00 0.00 N ATOM 788 CA ASN A 33 105.413 -9.592 5.397 1.00 0.00 C ATOM 789 C ASN A 33 106.823 -10.098 5.121 1.00 0.00 C ATOM 790 O ASN A 33 107.436 -9.700 4.128 1.00 0.00 O ATOM 791 CB ASN A 33 104.407 -10.214 4.423 1.00 0.00 C ATOM 792 CG ASN A 33 104.236 -11.706 4.618 1.00 0.00 C ATOM 793 OD1 ASN A 33 104.927 -12.510 3.993 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.303 -12.081 5.478 1.00 0.00 N ATOM 0 H ASN A 33 105.011 -7.792 4.408 1.00 0.00 H new ATOM 0 HA ASN A 33 105.117 -9.882 6.405 1.00 0.00 H new ATOM 0 HB2 ASN A 33 103.441 -9.724 4.546 1.00 0.00 H new ATOM 0 HB3 ASN A 33 104.734 -10.022 3.401 1.00 0.00 H new ATOM 0 HD21 ASN A 33 103.133 -13.073 5.645 1.00 0.00 H new ATOM 0 HD22 ASN A 33 102.754 -11.378 5.974 1.00 0.00 H new ATOM 834 N SER A 37 105.323 -10.611 0.917 1.00 0.00 N ATOM 835 CA SER A 37 104.578 -9.475 0.398 1.00 0.00 C ATOM 836 C SER A 37 104.431 -8.431 1.507 1.00 0.00 C ATOM 837 O SER A 37 105.338 -8.269 2.326 1.00 0.00 O ATOM 838 CB SER A 37 103.211 -9.942 -0.121 1.00 0.00 C ATOM 839 OG SER A 37 103.361 -10.860 -1.193 1.00 0.00 O ATOM 0 HA SER A 37 105.111 -9.022 -0.438 1.00 0.00 H new ATOM 0 HB2 SER A 37 102.651 -10.411 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 37 102.631 -9.081 -0.453 1.00 0.00 H new ATOM 0 HG SER A 37 104.236 -11.297 -1.129 1.00 0.00 H new ATOM 845 N ILE A 38 103.317 -7.711 1.539 1.00 0.00 N ATOM 846 CA ILE A 38 103.058 -6.766 2.619 1.00 0.00 C ATOM 847 C ILE A 38 101.640 -6.974 3.149 1.00 0.00 C ATOM 848 O ILE A 38 100.694 -7.078 2.370 1.00 0.00 O ATOM 849 CB ILE A 38 103.230 -5.296 2.162 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.574 -5.106 1.446 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.145 -4.360 3.361 1.00 0.00 C ATOM 852 CD1 ILE A 38 104.763 -3.724 0.856 1.00 0.00 C ATOM 0 H ILE A 38 102.582 -7.762 0.834 1.00 0.00 H new ATOM 0 HA ILE A 38 103.788 -6.954 3.406 1.00 0.00 H new ATOM 0 HB ILE A 38 102.427 -5.057 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.382 -5.303 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 38 104.658 -5.845 0.650 1.00 0.00 H new ATOM 0 HG21 ILE A 38 103.267 -3.330 3.028 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.174 -4.473 3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.933 -4.607 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 38 105.735 -3.667 0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 38 103.978 -3.530 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.712 -2.979 1.650 1.00 0.00 H new ATOM 864 N ASP A 39 101.506 -7.046 4.465 1.00 0.00 N ATOM 865 CA ASP A 39 100.212 -7.299 5.089 1.00 0.00 C ATOM 866 C ASP A 39 99.501 -5.986 5.387 1.00 0.00 C ATOM 867 O ASP A 39 100.097 -5.054 5.932 1.00 0.00 O ATOM 868 CB ASP A 39 100.376 -8.109 6.381 1.00 0.00 C ATOM 869 CG ASP A 39 100.897 -9.512 6.136 1.00 0.00 C ATOM 870 OD1 ASP A 39 100.120 -10.364 5.657 1.00 0.00 O ATOM 871 OD2 ASP A 39 102.081 -9.773 6.434 1.00 0.00 O ATOM 0 H ASP A 39 102.277 -6.933 5.123 1.00 0.00 H new ATOM 0 HA ASP A 39 99.609 -7.880 4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 39 101.060 -7.584 7.048 1.00 0.00 H new ATOM 0 HB3 ASP A 39 99.415 -8.168 6.891 1.00 0.00 H new ATOM 876 N TYR A 40 98.231 -5.918 5.021 1.00 0.00 N ATOM 877 CA TYR A 40 97.439 -4.710 5.228 1.00 0.00 C ATOM 878 C TYR A 40 96.154 -5.048 5.970 1.00 0.00 C ATOM 879 O TYR A 40 95.484 -6.026 5.644 1.00 0.00 O ATOM 880 CB TYR A 40 97.082 -4.060 3.889 1.00 0.00 C ATOM 881 CG TYR A 40 98.254 -3.824 2.961 1.00 0.00 C ATOM 882 CD1 TYR A 40 99.219 -2.870 3.250 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.380 -4.546 1.781 1.00 0.00 C ATOM 884 CE1 TYR A 40 100.275 -2.641 2.391 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.439 -4.326 0.918 1.00 0.00 C ATOM 886 CZ TYR A 40 100.381 -3.371 1.228 1.00 0.00 C ATOM 887 OH TYR A 40 101.433 -3.143 0.369 1.00 0.00 O ATOM 0 H TYR A 40 97.724 -6.684 4.579 1.00 0.00 H new ATOM 0 HA TYR A 40 98.035 -4.013 5.818 1.00 0.00 H new ATOM 0 HB2 TYR A 40 96.355 -4.691 3.378 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.594 -3.105 4.084 1.00 0.00 H new ATOM 0 HD1 TYR A 40 99.143 -2.297 4.162 1.00 0.00 H new ATOM 0 HD2 TYR A 40 97.639 -5.292 1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 40 101.015 -1.892 2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 40 99.526 -4.900 0.007 1.00 0.00 H new ATOM 0 HH TYR A 40 102.124 -2.622 0.829 1.00 0.00 H new ATOM 897 N ARG A 41 95.812 -4.246 6.968 1.00 0.00 N ATOM 898 CA ARG A 41 94.558 -4.425 7.687 1.00 0.00 C ATOM 899 C ARG A 41 93.807 -3.106 7.795 1.00 0.00 C ATOM 900 O ARG A 41 94.417 -2.037 7.875 1.00 0.00 O ATOM 901 CB ARG A 41 94.792 -4.984 9.092 1.00 0.00 C ATOM 902 CG ARG A 41 95.468 -6.343 9.124 1.00 0.00 C ATOM 903 CD ARG A 41 95.396 -6.951 10.514 1.00 0.00 C ATOM 904 NE ARG A 41 95.860 -6.017 11.540 1.00 0.00 N ATOM 905 CZ ARG A 41 95.128 -5.635 12.585 1.00 0.00 C ATOM 906 NH1 ARG A 41 93.908 -6.130 12.765 1.00 0.00 N ATOM 907 NH2 ARG A 41 95.617 -4.763 13.458 1.00 0.00 N ATOM 0 H ARG A 41 96.383 -3.468 7.298 1.00 0.00 H new ATOM 0 HA ARG A 41 93.962 -5.140 7.120 1.00 0.00 H new ATOM 0 HB2 ARG A 41 95.401 -4.276 9.654 1.00 0.00 H new ATOM 0 HB3 ARG A 41 93.833 -5.057 9.605 1.00 0.00 H new ATOM 0 HG2 ARG A 41 94.989 -7.009 8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 41 96.510 -6.243 8.820 1.00 0.00 H new ATOM 0 HD2 ARG A 41 94.369 -7.246 10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.001 -7.857 10.546 1.00 0.00 H new ATOM 0 HE ARG A 41 96.801 -5.635 11.449 1.00 0.00 H new ATOM 0 HH11 ARG A 41 93.529 -6.805 12.101 1.00 0.00 H new ATOM 0 HH12 ARG A 41 93.351 -5.835 13.567 1.00 0.00 H new ATOM 0 HH21 ARG A 41 96.555 -4.384 13.329 1.00 0.00 H new ATOM 0 HH22 ARG A 41 95.055 -4.472 14.258 1.00 0.00 H new ATOM 921 N MET A 42 92.487 -3.190 7.791 1.00 0.00 N ATOM 922 CA MET A 42 91.639 -2.020 7.946 1.00 0.00 C ATOM 923 C MET A 42 90.997 -2.018 9.325 1.00 0.00 C ATOM 924 O MET A 42 90.291 -2.960 9.687 1.00 0.00 O ATOM 925 CB MET A 42 90.552 -1.997 6.872 1.00 0.00 C ATOM 926 CG MET A 42 91.085 -2.000 5.454 1.00 0.00 C ATOM 927 SD MET A 42 89.766 -1.955 4.235 1.00 0.00 S ATOM 928 CE MET A 42 88.984 -3.539 4.526 1.00 0.00 C ATOM 0 H MET A 42 91.976 -4.066 7.681 1.00 0.00 H new ATOM 0 HA MET A 42 92.259 -1.130 7.836 1.00 0.00 H new ATOM 0 HB2 MET A 42 89.904 -2.863 7.007 1.00 0.00 H new ATOM 0 HB3 MET A 42 89.934 -1.111 7.015 1.00 0.00 H new ATOM 0 HG2 MET A 42 91.739 -1.140 5.311 1.00 0.00 H new ATOM 0 HG3 MET A 42 91.692 -2.892 5.297 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.341 -3.788 3.682 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.749 -4.307 4.639 1.00 0.00 H new ATOM 0 HE3 MET A 42 88.385 -3.487 5.435 1.00 0.00 H new ATOM 938 N GLY A 43 91.241 -0.973 10.099 1.00 0.00 N ATOM 939 CA GLY A 43 90.696 -0.917 11.435 1.00 0.00 C ATOM 940 C GLY A 43 90.030 0.405 11.745 1.00 0.00 C ATOM 941 O GLY A 43 90.654 1.460 11.637 1.00 0.00 O ATOM 0 H GLY A 43 91.804 -0.167 9.827 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.971 -1.721 11.560 1.00 0.00 H new ATOM 0 HA3 GLY A 43 91.495 -1.093 12.155 1.00 0.00 H new ATOM 945 N PHE A 44 88.759 0.350 12.118 1.00 0.00 N ATOM 946 CA PHE A 44 88.049 1.540 12.564 1.00 0.00 C ATOM 947 C PHE A 44 88.634 1.985 13.893 1.00 0.00 C ATOM 948 O PHE A 44 88.494 1.292 14.901 1.00 0.00 O ATOM 949 CB PHE A 44 86.553 1.258 12.716 1.00 0.00 C ATOM 950 CG PHE A 44 85.896 0.778 11.454 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.504 1.674 10.476 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.666 -0.574 11.252 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.896 1.233 9.316 1.00 0.00 C ATOM 954 CE2 PHE A 44 85.057 -1.022 10.096 1.00 0.00 C ATOM 955 CZ PHE A 44 84.672 -0.116 9.127 1.00 0.00 C ATOM 0 H PHE A 44 88.200 -0.503 12.121 1.00 0.00 H new ATOM 0 HA PHE A 44 88.166 2.329 11.821 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.411 0.510 13.496 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.054 2.167 13.052 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.675 2.731 10.621 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.966 -1.285 12.007 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.597 1.942 8.559 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.882 -2.078 9.950 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.196 -0.463 8.222 1.00 0.00 H new ATOM 965 N ASP A 45 89.295 3.128 13.893 1.00 0.00 N ATOM 966 CA ASP A 45 90.077 3.542 15.045 1.00 0.00 C ATOM 967 C ASP A 45 90.034 5.063 15.207 1.00 0.00 C ATOM 968 O ASP A 45 89.187 5.734 14.611 1.00 0.00 O ATOM 969 CB ASP A 45 91.519 3.053 14.870 1.00 0.00 C ATOM 970 CG ASP A 45 92.251 2.838 16.184 1.00 0.00 C ATOM 971 OD1 ASP A 45 91.837 3.407 17.214 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.265 2.109 16.180 1.00 0.00 O ATOM 0 H ASP A 45 89.307 3.784 13.112 1.00 0.00 H new ATOM 0 HA ASP A 45 89.655 3.102 15.949 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.511 2.118 14.310 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.070 3.778 14.271 1.00 0.00 H new ATOM 977 N ASP A 46 90.940 5.586 16.022 1.00 0.00 N ATOM 978 CA ASP A 46 91.005 7.012 16.321 1.00 0.00 C ATOM 979 C ASP A 46 91.392 7.817 15.085 1.00 0.00 C ATOM 980 O ASP A 46 92.014 7.292 14.159 1.00 0.00 O ATOM 981 CB ASP A 46 92.029 7.252 17.432 1.00 0.00 C ATOM 982 CG ASP A 46 91.723 8.484 18.254 1.00 0.00 C ATOM 983 OD1 ASP A 46 92.025 9.606 17.800 1.00 0.00 O ATOM 984 OD2 ASP A 46 91.178 8.327 19.365 1.00 0.00 O ATOM 0 H ASP A 46 91.653 5.032 16.496 1.00 0.00 H new ATOM 0 HA ASP A 46 90.018 7.341 16.646 1.00 0.00 H new ATOM 0 HB2 ASP A 46 92.058 6.381 18.087 1.00 0.00 H new ATOM 0 HB3 ASP A 46 93.021 7.352 16.991 1.00 0.00 H new ATOM 989 N LEU A 47 91.029 9.092 15.079 1.00 0.00 N ATOM 990 CA LEU A 47 91.331 9.973 13.964 1.00 0.00 C ATOM 991 C LEU A 47 92.377 10.998 14.395 1.00 0.00 C ATOM 992 O LEU A 47 92.073 11.938 15.134 1.00 0.00 O ATOM 993 CB LEU A 47 90.047 10.674 13.485 1.00 0.00 C ATOM 994 CG LEU A 47 90.089 11.298 12.078 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.687 11.692 11.640 1.00 0.00 C ATOM 996 CD2 LEU A 47 91.002 12.517 12.028 1.00 0.00 C ATOM 0 H LEU A 47 90.521 9.540 15.841 1.00 0.00 H new ATOM 0 HA LEU A 47 91.731 9.389 13.135 1.00 0.00 H new ATOM 0 HB2 LEU A 47 89.232 9.950 13.513 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.800 11.459 14.199 1.00 0.00 H new ATOM 0 HG LEU A 47 90.491 10.547 11.397 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.727 12.132 10.644 1.00 0.00 H new ATOM 0 HD12 LEU A 47 88.050 10.808 11.620 1.00 0.00 H new ATOM 0 HD13 LEU A 47 88.277 12.419 12.342 1.00 0.00 H new ATOM 0 HD21 LEU A 47 91.005 12.928 11.019 1.00 0.00 H new ATOM 0 HD22 LEU A 47 90.640 13.271 12.727 1.00 0.00 H new ATOM 0 HD23 LEU A 47 92.015 12.224 12.303 1.00 0.00 H new ATOM 1008 N THR A 48 93.606 10.804 13.948 1.00 0.00 N ATOM 1009 CA THR A 48 94.686 11.714 14.278 1.00 0.00 C ATOM 1010 C THR A 48 94.881 12.733 13.155 1.00 0.00 C ATOM 1011 O THR A 48 94.824 12.386 11.977 1.00 0.00 O ATOM 1012 CB THR A 48 95.995 10.938 14.522 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.715 9.739 15.259 1.00 0.00 O ATOM 1014 CG2 THR A 48 96.999 11.779 15.297 1.00 0.00 C ATOM 0 H THR A 48 93.880 10.021 13.354 1.00 0.00 H new ATOM 0 HA THR A 48 94.421 12.243 15.194 1.00 0.00 H new ATOM 0 HB THR A 48 96.427 10.691 13.552 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.548 9.247 15.411 1.00 0.00 H new ATOM 0 HG21 THR A 48 97.912 11.204 15.453 1.00 0.00 H new ATOM 0 HG22 THR A 48 97.231 12.681 14.731 1.00 0.00 H new ATOM 0 HG23 THR A 48 96.574 12.055 16.262 1.00 0.00 H new ATOM 1022 N GLU A 49 95.096 13.992 13.521 1.00 0.00 N ATOM 1023 CA GLU A 49 95.258 15.061 12.535 1.00 0.00 C ATOM 1024 C GLU A 49 96.676 15.070 11.963 1.00 0.00 C ATOM 1025 O GLU A 49 97.001 15.852 11.066 1.00 0.00 O ATOM 1026 CB GLU A 49 94.914 16.408 13.167 1.00 0.00 C ATOM 1027 CG GLU A 49 93.492 16.459 13.698 1.00 0.00 C ATOM 1028 CD GLU A 49 93.136 17.789 14.322 1.00 0.00 C ATOM 1029 OE1 GLU A 49 93.394 17.974 15.528 1.00 0.00 O ATOM 1030 OE2 GLU A 49 92.570 18.648 13.618 1.00 0.00 O ATOM 0 H GLU A 49 95.163 14.300 14.491 1.00 0.00 H new ATOM 0 HA GLU A 49 94.572 14.879 11.708 1.00 0.00 H new ATOM 0 HB2 GLU A 49 95.609 16.611 13.982 1.00 0.00 H new ATOM 0 HB3 GLU A 49 95.050 17.197 12.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.799 16.251 12.883 1.00 0.00 H new ATOM 0 HG3 GLU A 49 93.359 15.670 14.439 1.00 0.00 H new ATOM 1037 N ASP A 50 97.508 14.193 12.499 1.00 0.00 N ATOM 1038 CA ASP A 50 98.849 13.961 11.977 1.00 0.00 C ATOM 1039 C ASP A 50 98.771 13.052 10.756 1.00 0.00 C ATOM 1040 O ASP A 50 99.607 13.111 9.852 1.00 0.00 O ATOM 1041 CB ASP A 50 99.714 13.318 13.066 1.00 0.00 C ATOM 1042 CG ASP A 50 101.092 12.910 12.581 1.00 0.00 C ATOM 1043 OD1 ASP A 50 101.999 13.766 12.566 1.00 0.00 O ATOM 1044 OD2 ASP A 50 101.279 11.721 12.247 1.00 0.00 O ATOM 0 H ASP A 50 97.275 13.620 13.310 1.00 0.00 H new ATOM 0 HA ASP A 50 99.299 14.909 11.681 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.822 14.018 13.894 1.00 0.00 H new ATOM 0 HB3 ASP A 50 99.200 12.440 13.456 1.00 0.00 H new ATOM 1049 N ASP A 51 97.725 12.238 10.737 1.00 0.00 N ATOM 1050 CA ASP A 51 97.503 11.267 9.677 1.00 0.00 C ATOM 1051 C ASP A 51 97.027 11.954 8.408 1.00 0.00 C ATOM 1052 O ASP A 51 96.445 13.041 8.456 1.00 0.00 O ATOM 1053 CB ASP A 51 96.461 10.228 10.112 1.00 0.00 C ATOM 1054 CG ASP A 51 96.925 9.369 11.274 1.00 0.00 C ATOM 1055 OD1 ASP A 51 97.596 9.895 12.185 1.00 0.00 O ATOM 1056 OD2 ASP A 51 96.624 8.159 11.283 1.00 0.00 O ATOM 0 H ASP A 51 97.005 12.233 11.459 1.00 0.00 H new ATOM 0 HA ASP A 51 98.451 10.767 9.477 1.00 0.00 H new ATOM 0 HB2 ASP A 51 95.541 10.741 10.392 1.00 0.00 H new ATOM 0 HB3 ASP A 51 96.223 9.585 9.265 1.00 0.00 H new ATOM 1061 N ILE A 52 97.270 11.319 7.275 1.00 0.00 N ATOM 1062 CA ILE A 52 96.806 11.829 5.999 1.00 0.00 C ATOM 1063 C ILE A 52 95.369 11.383 5.766 1.00 0.00 C ATOM 1064 O ILE A 52 95.082 10.185 5.739 1.00 0.00 O ATOM 1065 CB ILE A 52 97.697 11.342 4.833 1.00 0.00 C ATOM 1066 CG1 ILE A 52 99.165 11.712 5.085 1.00 0.00 C ATOM 1067 CG2 ILE A 52 97.218 11.924 3.509 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.406 13.199 5.239 1.00 0.00 C ATOM 0 H ILE A 52 97.790 10.443 7.214 1.00 0.00 H new ATOM 0 HA ILE A 52 96.860 12.917 6.030 1.00 0.00 H new ATOM 0 HB ILE A 52 97.621 10.256 4.776 1.00 0.00 H new ATOM 0 HG12 ILE A 52 99.508 11.203 5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.770 11.340 4.259 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.859 11.568 2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 52 96.191 11.608 3.323 1.00 0.00 H new ATOM 0 HG23 ILE A 52 97.260 13.012 3.553 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.467 13.379 5.414 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.096 13.714 4.330 1.00 0.00 H new ATOM 0 HD13 ILE A 52 98.829 13.575 6.084 1.00 0.00 H new ATOM 1080 N ARG A 53 94.470 12.344 5.621 1.00 0.00 N ATOM 1081 CA ARG A 53 93.058 12.044 5.442 1.00 0.00 C ATOM 1082 C ARG A 53 92.740 11.804 3.970 1.00 0.00 C ATOM 1083 O ARG A 53 92.844 12.711 3.143 1.00 0.00 O ATOM 1084 CB ARG A 53 92.193 13.182 5.989 1.00 0.00 C ATOM 1085 CG ARG A 53 92.475 13.509 7.447 1.00 0.00 C ATOM 1086 CD ARG A 53 91.546 14.593 7.971 1.00 0.00 C ATOM 1087 NE ARG A 53 90.159 14.137 8.069 1.00 0.00 N ATOM 1088 CZ ARG A 53 89.298 14.567 8.993 1.00 0.00 C ATOM 1089 NH1 ARG A 53 89.667 15.487 9.878 1.00 0.00 N ATOM 1090 NH2 ARG A 53 88.064 14.088 9.030 1.00 0.00 N ATOM 0 H ARG A 53 94.693 13.339 5.624 1.00 0.00 H new ATOM 0 HA ARG A 53 92.832 11.134 5.998 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.357 14.075 5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 53 91.142 12.913 5.881 1.00 0.00 H new ATOM 0 HG2 ARG A 53 92.360 12.609 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 53 93.510 13.834 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 53 91.889 14.919 8.953 1.00 0.00 H new ATOM 0 HD3 ARG A 53 91.595 15.460 7.312 1.00 0.00 H new ATOM 0 HE ARG A 53 89.831 13.450 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 53 90.613 15.868 9.853 1.00 0.00 H new ATOM 0 HH12 ARG A 53 89.004 15.812 10.582 1.00 0.00 H new ATOM 0 HH21 ARG A 53 87.768 13.387 8.350 1.00 0.00 H new ATOM 0 HH22 ARG A 53 87.409 14.420 9.738 1.00 0.00 H new ATOM 1104 N LEU A 54 92.374 10.575 3.654 1.00 0.00 N ATOM 1105 CA LEU A 54 91.985 10.205 2.304 1.00 0.00 C ATOM 1106 C LEU A 54 90.482 9.984 2.237 1.00 0.00 C ATOM 1107 O LEU A 54 89.936 9.155 2.962 1.00 0.00 O ATOM 1108 CB LEU A 54 92.706 8.927 1.868 1.00 0.00 C ATOM 1109 CG LEU A 54 94.229 9.018 1.792 1.00 0.00 C ATOM 1110 CD1 LEU A 54 94.822 7.653 1.488 1.00 0.00 C ATOM 1111 CD2 LEU A 54 94.648 10.019 0.727 1.00 0.00 C ATOM 0 H LEU A 54 92.338 9.806 4.324 1.00 0.00 H new ATOM 0 HA LEU A 54 92.264 11.017 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 54 92.442 8.129 2.562 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.329 8.635 0.888 1.00 0.00 H new ATOM 0 HG LEU A 54 94.604 9.358 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 54 95.908 7.731 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 54 94.546 6.953 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.438 7.294 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 54 95.736 10.072 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 54 94.263 9.702 -0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 54 94.246 11.002 0.973 1.00 0.00 H new ATOM 1123 N THR A 55 89.811 10.728 1.383 1.00 0.00 N ATOM 1124 CA THR A 55 88.386 10.547 1.194 1.00 0.00 C ATOM 1125 C THR A 55 88.127 9.779 -0.101 1.00 0.00 C ATOM 1126 O THR A 55 88.304 10.312 -1.197 1.00 0.00 O ATOM 1127 CB THR A 55 87.650 11.902 1.173 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.980 12.646 2.357 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.142 11.706 1.101 1.00 0.00 C ATOM 0 H THR A 55 90.227 11.462 0.810 1.00 0.00 H new ATOM 0 HA THR A 55 87.999 9.971 2.034 1.00 0.00 H new ATOM 0 HB THR A 55 87.968 12.451 0.287 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.513 13.508 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.649 12.678 1.088 1.00 0.00 H new ATOM 0 HG22 THR A 55 85.889 11.158 0.193 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.807 11.141 1.971 1.00 0.00 H new ATOM 1137 N SER A 56 87.742 8.516 0.036 1.00 0.00 N ATOM 1138 CA SER A 56 87.507 7.659 -1.118 1.00 0.00 C ATOM 1139 C SER A 56 86.052 7.767 -1.568 1.00 0.00 C ATOM 1140 O SER A 56 85.336 8.686 -1.158 1.00 0.00 O ATOM 1141 CB SER A 56 87.859 6.205 -0.776 1.00 0.00 C ATOM 1142 OG SER A 56 87.061 5.716 0.292 1.00 0.00 O ATOM 0 H SER A 56 87.586 8.063 0.936 1.00 0.00 H new ATOM 0 HA SER A 56 88.147 7.987 -1.937 1.00 0.00 H new ATOM 0 HB2 SER A 56 87.716 5.578 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 56 88.913 6.138 -0.505 1.00 0.00 H new ATOM 0 HG SER A 56 87.274 6.209 1.112 1.00 0.00 H new ATOM 1148 N GLU A 57 85.612 6.824 -2.394 1.00 0.00 N ATOM 1149 CA GLU A 57 84.249 6.828 -2.914 1.00 0.00 C ATOM 1150 C GLU A 57 83.256 6.306 -1.873 1.00 0.00 C ATOM 1151 O GLU A 57 82.526 5.341 -2.118 1.00 0.00 O ATOM 1152 CB GLU A 57 84.164 5.988 -4.192 1.00 0.00 C ATOM 1153 CG GLU A 57 85.107 6.456 -5.288 1.00 0.00 C ATOM 1154 CD GLU A 57 84.937 5.682 -6.580 1.00 0.00 C ATOM 1155 OE1 GLU A 57 85.551 4.608 -6.719 1.00 0.00 O ATOM 1156 OE2 GLU A 57 84.192 6.154 -7.467 1.00 0.00 O ATOM 0 H GLU A 57 86.182 6.043 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 57 83.983 7.859 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 57 84.388 4.949 -3.950 1.00 0.00 H new ATOM 0 HB3 GLU A 57 83.141 6.015 -4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 57 84.937 7.515 -5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 57 86.136 6.356 -4.943 1.00 0.00 H new ATOM 1163 N GLY A 58 83.239 6.941 -0.709 1.00 0.00 N ATOM 1164 CA GLY A 58 82.277 6.587 0.314 1.00 0.00 C ATOM 1165 C GLY A 58 82.871 6.564 1.711 1.00 0.00 C ATOM 1166 O GLY A 58 82.209 6.947 2.673 1.00 0.00 O ATOM 0 H GLY A 58 83.876 7.696 -0.455 1.00 0.00 H new ATOM 0 HA2 GLY A 58 81.451 7.298 0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.860 5.606 0.087 1.00 0.00 H new ATOM 1170 N VAL A 59 84.115 6.126 1.825 1.00 0.00 N ATOM 1171 CA VAL A 59 84.737 5.950 3.134 1.00 0.00 C ATOM 1172 C VAL A 59 85.882 6.939 3.346 1.00 0.00 C ATOM 1173 O VAL A 59 86.656 7.217 2.426 1.00 0.00 O ATOM 1174 CB VAL A 59 85.271 4.509 3.306 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.848 4.297 4.699 1.00 0.00 C ATOM 1176 CG2 VAL A 59 84.173 3.492 3.027 1.00 0.00 C ATOM 0 H VAL A 59 84.713 5.886 1.034 1.00 0.00 H new ATOM 0 HA VAL A 59 83.965 6.139 3.880 1.00 0.00 H new ATOM 0 HB VAL A 59 86.073 4.364 2.582 1.00 0.00 H new ATOM 0 HG11 VAL A 59 86.215 3.275 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.670 4.994 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 59 85.072 4.471 5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.569 2.485 3.154 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.348 3.647 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.814 3.615 2.005 1.00 0.00 H new ATOM 1186 N GLU A 60 85.971 7.484 4.551 1.00 0.00 N ATOM 1187 CA GLU A 60 87.099 8.317 4.927 1.00 0.00 C ATOM 1188 C GLU A 60 88.181 7.451 5.560 1.00 0.00 C ATOM 1189 O GLU A 60 87.910 6.665 6.469 1.00 0.00 O ATOM 1190 CB GLU A 60 86.674 9.416 5.900 1.00 0.00 C ATOM 1191 CG GLU A 60 87.821 10.324 6.313 1.00 0.00 C ATOM 1192 CD GLU A 60 87.421 11.325 7.370 1.00 0.00 C ATOM 1193 OE1 GLU A 60 87.306 10.938 8.548 1.00 0.00 O ATOM 1194 OE2 GLU A 60 87.227 12.511 7.031 1.00 0.00 O ATOM 0 H GLU A 60 85.273 7.363 5.285 1.00 0.00 H new ATOM 0 HA GLU A 60 87.489 8.796 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.890 10.017 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 86.243 8.958 6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.644 9.715 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 60 88.192 10.856 5.437 1.00 0.00 H new ATOM 1201 N ILE A 61 89.395 7.588 5.064 1.00 0.00 N ATOM 1202 CA ILE A 61 90.505 6.778 5.524 1.00 0.00 C ATOM 1203 C ILE A 61 91.644 7.659 6.022 1.00 0.00 C ATOM 1204 O ILE A 61 92.207 8.442 5.262 1.00 0.00 O ATOM 1205 CB ILE A 61 91.019 5.871 4.387 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.904 4.937 3.907 1.00 0.00 C ATOM 1207 CG2 ILE A 61 92.230 5.074 4.843 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.284 4.096 2.707 1.00 0.00 C ATOM 0 H ILE A 61 89.639 8.259 4.336 1.00 0.00 H new ATOM 0 HA ILE A 61 90.149 6.157 6.346 1.00 0.00 H new ATOM 0 HB ILE A 61 91.324 6.501 3.552 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.619 4.277 4.726 1.00 0.00 H new ATOM 0 HG13 ILE A 61 89.026 5.533 3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.577 4.441 4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 61 93.027 5.758 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.956 4.451 5.694 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.443 3.461 2.427 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.540 4.748 1.872 1.00 0.00 H new ATOM 0 HD13 ILE A 61 91.142 3.472 2.957 1.00 0.00 H new ATOM 1220 N VAL A 62 91.969 7.543 7.298 1.00 0.00 N ATOM 1221 CA VAL A 62 93.100 8.268 7.853 1.00 0.00 C ATOM 1222 C VAL A 62 94.308 7.350 7.953 1.00 0.00 C ATOM 1223 O VAL A 62 94.235 6.256 8.518 1.00 0.00 O ATOM 1224 CB VAL A 62 92.790 8.886 9.237 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.830 10.055 9.089 1.00 0.00 C ATOM 1226 CG2 VAL A 62 92.219 7.847 10.191 1.00 0.00 C ATOM 0 H VAL A 62 91.469 6.957 7.967 1.00 0.00 H new ATOM 0 HA VAL A 62 93.316 9.093 7.174 1.00 0.00 H new ATOM 0 HB VAL A 62 93.726 9.249 9.661 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.621 10.480 10.070 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.280 10.817 8.452 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.900 9.708 8.638 1.00 0.00 H new ATOM 0 HG21 VAL A 62 92.012 8.313 11.155 1.00 0.00 H new ATOM 0 HG22 VAL A 62 91.295 7.442 9.778 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.940 7.041 10.325 1.00 0.00 H new ATOM 1236 N ILE A 63 95.411 7.774 7.366 1.00 0.00 N ATOM 1237 CA ILE A 63 96.612 6.964 7.362 1.00 0.00 C ATOM 1238 C ILE A 63 97.807 7.750 7.875 1.00 0.00 C ATOM 1239 O ILE A 63 98.216 8.744 7.272 1.00 0.00 O ATOM 1240 CB ILE A 63 96.937 6.430 5.954 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.718 5.744 5.333 1.00 0.00 C ATOM 1242 CG2 ILE A 63 98.100 5.457 6.033 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.949 5.255 3.921 1.00 0.00 C ATOM 0 H ILE A 63 95.499 8.671 6.888 1.00 0.00 H new ATOM 0 HA ILE A 63 96.418 6.121 8.025 1.00 0.00 H new ATOM 0 HB ILE A 63 97.211 7.272 5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.430 4.899 5.958 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.880 6.441 5.334 1.00 0.00 H new ATOM 0 HG21 ILE A 63 98.328 5.081 5.036 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.974 5.967 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.834 4.624 6.683 1.00 0.00 H new ATOM 0 HD11 ILE A 63 95.042 4.780 3.547 1.00 0.00 H new ATOM 0 HD12 ILE A 63 96.207 6.099 3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.765 4.533 3.915 1.00 0.00 H new ATOM 1255 N ALA A 64 98.346 7.309 9.001 1.00 0.00 N ATOM 1256 CA ALA A 64 99.550 7.900 9.566 1.00 0.00 C ATOM 1257 C ALA A 64 100.712 7.802 8.582 1.00 0.00 C ATOM 1258 O ALA A 64 100.835 6.809 7.864 1.00 0.00 O ATOM 1259 CB ALA A 64 99.901 7.209 10.873 1.00 0.00 C ATOM 0 H ALA A 64 97.964 6.536 9.546 1.00 0.00 H new ATOM 0 HA ALA A 64 99.361 8.955 9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.803 7.656 11.290 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.078 7.326 11.579 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.074 6.149 10.689 1.00 0.00 H new ATOM 1265 N PRO A 65 101.574 8.835 8.534 1.00 0.00 N ATOM 1266 CA PRO A 65 102.719 8.899 7.610 1.00 0.00 C ATOM 1267 C PRO A 65 103.558 7.617 7.578 1.00 0.00 C ATOM 1268 O PRO A 65 104.077 7.229 6.527 1.00 0.00 O ATOM 1269 CB PRO A 65 103.540 10.068 8.156 1.00 0.00 C ATOM 1270 CG PRO A 65 102.538 10.957 8.802 1.00 0.00 C ATOM 1271 CD PRO A 65 101.484 10.048 9.374 1.00 0.00 C ATOM 0 HA PRO A 65 102.390 9.023 6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.288 9.727 8.872 1.00 0.00 H new ATOM 0 HB3 PRO A 65 104.074 10.585 7.358 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.999 11.561 9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 65 102.106 11.648 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.675 9.824 10.423 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.493 10.500 9.320 1.00 0.00 H new ATOM 1279 N ASP A 66 103.677 6.951 8.721 1.00 0.00 N ATOM 1280 CA ASP A 66 104.448 5.712 8.796 1.00 0.00 C ATOM 1281 C ASP A 66 103.791 4.600 7.986 1.00 0.00 C ATOM 1282 O ASP A 66 104.472 3.844 7.292 1.00 0.00 O ATOM 1283 CB ASP A 66 104.639 5.265 10.246 1.00 0.00 C ATOM 1284 CG ASP A 66 105.645 6.122 10.985 1.00 0.00 C ATOM 1285 OD1 ASP A 66 106.854 6.004 10.698 1.00 0.00 O ATOM 1286 OD2 ASP A 66 105.234 6.922 11.851 1.00 0.00 O ATOM 0 H ASP A 66 103.254 7.243 9.602 1.00 0.00 H new ATOM 0 HA ASP A 66 105.429 5.916 8.366 1.00 0.00 H new ATOM 0 HB2 ASP A 66 103.681 5.304 10.765 1.00 0.00 H new ATOM 0 HB3 ASP A 66 104.968 4.226 10.263 1.00 0.00 H new ATOM 1291 N TYR A 67 102.468 4.513 8.062 1.00 0.00 N ATOM 1292 CA TYR A 67 101.729 3.498 7.321 1.00 0.00 C ATOM 1293 C TYR A 67 101.530 3.929 5.874 1.00 0.00 C ATOM 1294 O TYR A 67 101.564 3.106 4.960 1.00 0.00 O ATOM 1295 CB TYR A 67 100.355 3.249 7.946 1.00 0.00 C ATOM 1296 CG TYR A 67 100.377 2.765 9.376 1.00 0.00 C ATOM 1297 CD1 TYR A 67 100.847 1.499 9.700 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.895 3.567 10.401 1.00 0.00 C ATOM 1299 CE1 TYR A 67 100.837 1.047 11.006 1.00 0.00 C ATOM 1300 CE2 TYR A 67 99.887 3.126 11.707 1.00 0.00 C ATOM 1301 CZ TYR A 67 100.356 1.865 12.006 1.00 0.00 C ATOM 1302 OH TYR A 67 100.332 1.419 13.308 1.00 0.00 O ATOM 0 H TYR A 67 101.886 5.131 8.628 1.00 0.00 H new ATOM 0 HA TYR A 67 102.316 2.580 7.359 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.780 4.174 7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 67 99.825 2.515 7.339 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.227 0.857 8.919 1.00 0.00 H new ATOM 0 HD2 TYR A 67 99.520 4.553 10.172 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.204 0.059 11.242 1.00 0.00 H new ATOM 0 HE2 TYR A 67 99.515 3.766 12.493 1.00 0.00 H new ATOM 0 HH TYR A 67 99.964 2.119 13.887 1.00 0.00 H new ATOM 1312 N VAL A 68 101.337 5.230 5.678 1.00 0.00 N ATOM 1313 CA VAL A 68 100.975 5.782 4.374 1.00 0.00 C ATOM 1314 C VAL A 68 102.049 5.486 3.326 1.00 0.00 C ATOM 1315 O VAL A 68 101.758 5.377 2.135 1.00 0.00 O ATOM 1316 CB VAL A 68 100.717 7.309 4.473 1.00 0.00 C ATOM 1317 CG1 VAL A 68 102.000 8.115 4.333 1.00 0.00 C ATOM 1318 CG2 VAL A 68 99.689 7.752 3.450 1.00 0.00 C ATOM 0 H VAL A 68 101.426 5.930 6.415 1.00 0.00 H new ATOM 0 HA VAL A 68 100.053 5.296 4.055 1.00 0.00 H new ATOM 0 HB VAL A 68 100.319 7.504 5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.772 9.178 4.408 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.694 7.836 5.126 1.00 0.00 H new ATOM 0 HG13 VAL A 68 102.455 7.909 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 68 99.526 8.826 3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 68 100.051 7.522 2.448 1.00 0.00 H new ATOM 0 HG23 VAL A 68 98.750 7.226 3.626 1.00 0.00 H new ATOM 1328 N SER A 69 103.278 5.305 3.789 1.00 0.00 N ATOM 1329 CA SER A 69 104.404 5.043 2.906 1.00 0.00 C ATOM 1330 C SER A 69 104.337 3.622 2.336 1.00 0.00 C ATOM 1331 O SER A 69 105.038 3.292 1.378 1.00 0.00 O ATOM 1332 CB SER A 69 105.710 5.253 3.674 1.00 0.00 C ATOM 1333 OG SER A 69 105.746 6.542 4.273 1.00 0.00 O ATOM 0 H SER A 69 103.521 5.335 4.779 1.00 0.00 H new ATOM 0 HA SER A 69 104.363 5.737 2.067 1.00 0.00 H new ATOM 0 HB2 SER A 69 105.811 4.487 4.443 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.557 5.139 2.997 1.00 0.00 H new ATOM 0 HG SER A 69 105.109 6.575 5.017 1.00 0.00 H new ATOM 1339 N LEU A 70 103.484 2.788 2.922 1.00 0.00 N ATOM 1340 CA LEU A 70 103.340 1.407 2.479 1.00 0.00 C ATOM 1341 C LEU A 70 101.930 1.135 1.970 1.00 0.00 C ATOM 1342 O LEU A 70 101.614 0.014 1.581 1.00 0.00 O ATOM 1343 CB LEU A 70 103.664 0.443 3.622 1.00 0.00 C ATOM 1344 CG LEU A 70 105.116 0.456 4.102 1.00 0.00 C ATOM 1345 CD1 LEU A 70 105.277 -0.442 5.317 1.00 0.00 C ATOM 1346 CD2 LEU A 70 106.050 0.013 2.986 1.00 0.00 C ATOM 0 H LEU A 70 102.882 3.045 3.705 1.00 0.00 H new ATOM 0 HA LEU A 70 104.042 1.248 1.660 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.018 0.679 4.468 1.00 0.00 H new ATOM 0 HB3 LEU A 70 103.414 -0.569 3.303 1.00 0.00 H new ATOM 0 HG LEU A 70 105.379 1.475 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 70 106.315 -0.423 5.648 1.00 0.00 H new ATOM 0 HD12 LEU A 70 104.633 -0.085 6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.998 -1.463 5.055 1.00 0.00 H new ATOM 0 HD21 LEU A 70 107.079 0.028 3.345 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.790 -0.998 2.674 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.952 0.691 2.138 1.00 0.00 H new ATOM 1358 N LEU A 71 101.091 2.160 1.964 1.00 0.00 N ATOM 1359 CA LEU A 71 99.692 1.991 1.580 1.00 0.00 C ATOM 1360 C LEU A 71 99.362 2.750 0.299 1.00 0.00 C ATOM 1361 O LEU A 71 98.231 2.715 -0.186 1.00 0.00 O ATOM 1362 CB LEU A 71 98.779 2.444 2.719 1.00 0.00 C ATOM 1363 CG LEU A 71 98.747 1.502 3.924 1.00 0.00 C ATOM 1364 CD1 LEU A 71 98.104 2.178 5.118 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.995 0.229 3.574 1.00 0.00 C ATOM 0 H LEU A 71 101.349 3.113 2.219 1.00 0.00 H new ATOM 0 HA LEU A 71 99.524 0.932 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 71 99.100 3.430 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.766 2.553 2.333 1.00 0.00 H new ATOM 0 HG LEU A 71 99.773 1.246 4.187 1.00 0.00 H new ATOM 0 HD11 LEU A 71 98.092 1.490 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.675 3.068 5.383 1.00 0.00 H new ATOM 0 HD13 LEU A 71 97.082 2.463 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.979 -0.434 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.973 0.477 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.493 -0.271 2.743 1.00 0.00 H new ATOM 1377 N ASP A 72 100.354 3.430 -0.249 1.00 0.00 N ATOM 1378 CA ASP A 72 100.176 4.158 -1.496 1.00 0.00 C ATOM 1379 C ASP A 72 100.129 3.195 -2.677 1.00 0.00 C ATOM 1380 O ASP A 72 100.758 2.138 -2.643 1.00 0.00 O ATOM 1381 CB ASP A 72 101.303 5.173 -1.684 1.00 0.00 C ATOM 1382 CG ASP A 72 101.281 5.818 -3.053 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.208 6.308 -3.475 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.340 5.848 -3.714 1.00 0.00 O ATOM 0 H ASP A 72 101.291 3.494 0.149 1.00 0.00 H new ATOM 0 HA ASP A 72 99.228 4.693 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.222 5.947 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.262 4.677 -1.535 1.00 0.00 H new ATOM 1389 N GLN A 73 99.362 3.560 -3.703 1.00 0.00 N ATOM 1390 CA GLN A 73 99.236 2.761 -4.919 1.00 0.00 C ATOM 1391 C GLN A 73 98.829 1.327 -4.598 1.00 0.00 C ATOM 1392 O GLN A 73 99.522 0.371 -4.945 1.00 0.00 O ATOM 1393 CB GLN A 73 100.541 2.807 -5.716 1.00 0.00 C ATOM 1394 CG GLN A 73 100.775 4.153 -6.382 1.00 0.00 C ATOM 1395 CD GLN A 73 102.177 4.307 -6.928 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.459 3.930 -8.064 1.00 0.00 O ATOM 1397 NE2 GLN A 73 103.054 4.900 -6.136 1.00 0.00 N ATOM 0 H GLN A 73 98.811 4.418 -3.714 1.00 0.00 H new ATOM 0 HA GLN A 73 98.444 3.189 -5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 73 101.376 2.585 -5.051 1.00 0.00 H new ATOM 0 HB3 GLN A 73 100.524 2.027 -6.478 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.059 4.280 -7.194 1.00 0.00 H new ATOM 0 HG3 GLN A 73 100.583 4.947 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 73 102.777 5.197 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 73 104.007 5.061 -6.461 1.00 0.00 H new ATOM 1406 N THR A 74 97.708 1.200 -3.907 1.00 0.00 N ATOM 1407 CA THR A 74 97.161 -0.094 -3.550 1.00 0.00 C ATOM 1408 C THR A 74 95.653 -0.087 -3.780 1.00 0.00 C ATOM 1409 O THR A 74 94.963 0.850 -3.374 1.00 0.00 O ATOM 1410 CB THR A 74 97.471 -0.434 -2.079 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.871 -0.239 -1.826 1.00 0.00 O ATOM 1412 CG2 THR A 74 97.091 -1.872 -1.755 1.00 0.00 C ATOM 0 H THR A 74 97.154 1.991 -3.579 1.00 0.00 H new ATOM 0 HA THR A 74 97.623 -0.856 -4.178 1.00 0.00 H new ATOM 0 HB THR A 74 96.882 0.227 -1.444 1.00 0.00 H new ATOM 0 HG1 THR A 74 99.067 -0.454 -0.890 1.00 0.00 H new ATOM 0 HG21 THR A 74 97.321 -2.083 -0.711 1.00 0.00 H new ATOM 0 HG22 THR A 74 96.024 -2.014 -1.927 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.655 -2.550 -2.395 1.00 0.00 H new ATOM 1420 N THR A 75 95.148 -1.106 -4.452 1.00 0.00 N ATOM 1421 CA THR A 75 93.735 -1.166 -4.783 1.00 0.00 C ATOM 1422 C THR A 75 93.028 -2.217 -3.933 1.00 0.00 C ATOM 1423 O THR A 75 93.417 -3.382 -3.916 1.00 0.00 O ATOM 1424 CB THR A 75 93.542 -1.482 -6.279 1.00 0.00 C ATOM 1425 OG1 THR A 75 94.325 -0.572 -7.065 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.079 -1.370 -6.681 1.00 0.00 C ATOM 0 H THR A 75 95.694 -1.903 -4.779 1.00 0.00 H new ATOM 0 HA THR A 75 93.296 -0.191 -4.571 1.00 0.00 H new ATOM 0 HB THR A 75 93.868 -2.507 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 75 94.204 -0.774 -8.016 1.00 0.00 H new ATOM 0 HG21 THR A 75 91.975 -1.599 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 75 91.486 -2.075 -6.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 91.726 -0.356 -6.492 1.00 0.00 H new ATOM 1434 N LEU A 76 92.001 -1.801 -3.215 1.00 0.00 N ATOM 1435 CA LEU A 76 91.246 -2.720 -2.384 1.00 0.00 C ATOM 1436 C LEU A 76 89.967 -3.145 -3.084 1.00 0.00 C ATOM 1437 O LEU A 76 89.205 -2.306 -3.575 1.00 0.00 O ATOM 1438 CB LEU A 76 90.902 -2.090 -1.038 1.00 0.00 C ATOM 1439 CG LEU A 76 90.035 -2.970 -0.132 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.800 -4.201 0.329 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.534 -2.176 1.055 1.00 0.00 C ATOM 0 H LEU A 76 91.671 -0.836 -3.190 1.00 0.00 H new ATOM 0 HA LEU A 76 91.871 -3.596 -2.211 1.00 0.00 H new ATOM 0 HB2 LEU A 76 91.828 -1.852 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.383 -1.148 -1.213 1.00 0.00 H new ATOM 0 HG LEU A 76 89.175 -3.308 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 76 90.161 -4.808 0.971 1.00 0.00 H new ATOM 0 HD12 LEU A 76 91.104 -4.787 -0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.685 -3.892 0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 76 88.920 -2.816 1.688 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.383 -1.805 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 76 88.938 -1.334 0.704 1.00 0.00 H new ATOM 1453 N ASP A 77 89.745 -4.447 -3.137 1.00 0.00 N ATOM 1454 CA ASP A 77 88.522 -4.994 -3.695 1.00 0.00 C ATOM 1455 C ASP A 77 88.145 -6.261 -2.939 1.00 0.00 C ATOM 1456 O ASP A 77 88.981 -6.845 -2.251 1.00 0.00 O ATOM 1457 CB ASP A 77 88.709 -5.291 -5.184 1.00 0.00 C ATOM 1458 CG ASP A 77 87.413 -5.655 -5.876 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.345 -5.158 -5.454 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.457 -6.440 -6.844 1.00 0.00 O ATOM 0 H ASP A 77 90.402 -5.149 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 77 87.718 -4.266 -3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.144 -4.419 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.420 -6.109 -5.300 1.00 0.00 H new ATOM 1465 N TYR A 78 86.894 -6.677 -3.044 1.00 0.00 N ATOM 1466 CA TYR A 78 86.448 -7.884 -2.367 1.00 0.00 C ATOM 1467 C TYR A 78 86.065 -8.942 -3.393 1.00 0.00 C ATOM 1468 O TYR A 78 85.373 -8.655 -4.375 1.00 0.00 O ATOM 1469 CB TYR A 78 85.272 -7.593 -1.419 1.00 0.00 C ATOM 1470 CG TYR A 78 83.940 -7.371 -2.108 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.683 -6.213 -2.829 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.936 -8.332 -2.035 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.466 -6.018 -3.454 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.718 -8.143 -2.657 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.489 -6.985 -3.366 1.00 0.00 C ATOM 1476 OH TYR A 78 80.277 -6.796 -3.992 1.00 0.00 O ATOM 0 H TYR A 78 86.174 -6.201 -3.587 1.00 0.00 H new ATOM 0 HA TYR A 78 87.271 -8.261 -1.760 1.00 0.00 H new ATOM 0 HB2 TYR A 78 85.171 -8.425 -0.722 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.511 -6.709 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.446 -5.452 -2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 78 83.113 -9.242 -1.482 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.282 -5.110 -4.010 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.950 -8.899 -2.588 1.00 0.00 H new ATOM 0 HH TYR A 78 79.701 -7.573 -3.832 1.00 0.00 H new ATOM 1486 N VAL A 79 86.532 -10.158 -3.177 1.00 0.00 N ATOM 1487 CA VAL A 79 86.232 -11.259 -4.074 1.00 0.00 C ATOM 1488 C VAL A 79 85.785 -12.479 -3.287 1.00 0.00 C ATOM 1489 O VAL A 79 86.161 -12.662 -2.129 1.00 0.00 O ATOM 1490 CB VAL A 79 87.440 -11.642 -4.960 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.770 -10.523 -5.936 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.654 -11.985 -4.110 1.00 0.00 C ATOM 0 H VAL A 79 87.123 -10.409 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 79 85.428 -10.920 -4.727 1.00 0.00 H new ATOM 0 HB VAL A 79 87.167 -12.528 -5.533 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.623 -10.815 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.909 -10.335 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 79 88.014 -9.617 -5.382 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.489 -12.251 -4.758 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.927 -11.123 -3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.417 -12.827 -3.460 1.00 0.00 H new ATOM 1502 N GLU A 80 84.975 -13.300 -3.915 1.00 0.00 N ATOM 1503 CA GLU A 80 84.481 -14.504 -3.286 1.00 0.00 C ATOM 1504 C GLU A 80 85.395 -15.679 -3.626 1.00 0.00 C ATOM 1505 O GLU A 80 85.182 -16.391 -4.610 1.00 0.00 O ATOM 1506 CB GLU A 80 83.043 -14.758 -3.739 1.00 0.00 C ATOM 1507 CG GLU A 80 82.374 -15.962 -3.104 1.00 0.00 C ATOM 1508 CD GLU A 80 80.937 -16.107 -3.557 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.681 -15.982 -4.775 1.00 0.00 O ATOM 1510 OE2 GLU A 80 80.060 -16.346 -2.707 1.00 0.00 O ATOM 0 H GLU A 80 84.642 -13.155 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 80 84.481 -14.387 -2.202 1.00 0.00 H new ATOM 0 HB2 GLU A 80 82.447 -13.872 -3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 80 83.036 -14.886 -4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.929 -16.864 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 80 82.406 -15.866 -2.019 1.00 0.00 H new ATOM 1517 N LEU A 81 86.454 -15.840 -2.836 1.00 0.00 N ATOM 1518 CA LEU A 81 87.396 -16.934 -3.036 1.00 0.00 C ATOM 1519 C LEU A 81 86.755 -18.259 -2.652 1.00 0.00 C ATOM 1520 O LEU A 81 87.068 -19.309 -3.221 1.00 0.00 O ATOM 1521 CB LEU A 81 88.667 -16.704 -2.217 1.00 0.00 C ATOM 1522 CG LEU A 81 89.437 -15.425 -2.557 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.626 -15.260 -1.630 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.898 -15.443 -4.006 1.00 0.00 C ATOM 0 H LEU A 81 86.680 -15.227 -2.053 1.00 0.00 H new ATOM 0 HA LEU A 81 87.666 -16.968 -4.091 1.00 0.00 H new ATOM 0 HB2 LEU A 81 88.400 -16.679 -1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 81 89.331 -17.557 -2.358 1.00 0.00 H new ATOM 0 HG LEU A 81 88.766 -14.577 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 81 91.162 -14.346 -1.885 1.00 0.00 H new ATOM 0 HD12 LEU A 81 90.278 -15.200 -0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 81 91.294 -16.115 -1.739 1.00 0.00 H new ATOM 0 HD21 LEU A 81 90.443 -14.525 -4.226 1.00 0.00 H new ATOM 0 HD22 LEU A 81 90.551 -16.300 -4.169 1.00 0.00 H new ATOM 0 HD23 LEU A 81 89.031 -15.517 -4.663 1.00 0.00 H new ATOM 1536 N GLU A 82 85.856 -18.202 -1.685 1.00 0.00 N ATOM 1537 CA GLU A 82 85.086 -19.362 -1.284 1.00 0.00 C ATOM 1538 C GLU A 82 83.616 -18.975 -1.215 1.00 0.00 C ATOM 1539 O GLU A 82 83.246 -18.095 -0.441 1.00 0.00 O ATOM 1540 CB GLU A 82 85.571 -19.897 0.067 1.00 0.00 C ATOM 1541 CG GLU A 82 84.914 -21.205 0.477 1.00 0.00 C ATOM 1542 CD GLU A 82 85.531 -21.801 1.724 1.00 0.00 C ATOM 1543 OE1 GLU A 82 86.697 -22.248 1.662 1.00 0.00 O ATOM 1544 OE2 GLU A 82 84.858 -21.820 2.775 1.00 0.00 O ATOM 0 H GLU A 82 85.641 -17.355 -1.159 1.00 0.00 H new ATOM 0 HA GLU A 82 85.219 -20.157 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 82 86.651 -20.040 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 82 85.379 -19.148 0.835 1.00 0.00 H new ATOM 0 HG2 GLU A 82 83.851 -21.035 0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 82 84.995 -21.920 -0.341 1.00 0.00 H new ATOM 1551 N PRO A 83 82.775 -19.605 -2.053 1.00 0.00 N ATOM 1552 CA PRO A 83 81.343 -19.295 -2.148 1.00 0.00 C ATOM 1553 C PRO A 83 80.677 -19.125 -0.785 1.00 0.00 C ATOM 1554 O PRO A 83 80.701 -20.033 0.050 1.00 0.00 O ATOM 1555 CB PRO A 83 80.781 -20.512 -2.876 1.00 0.00 C ATOM 1556 CG PRO A 83 81.896 -20.966 -3.747 1.00 0.00 C ATOM 1557 CD PRO A 83 83.163 -20.678 -2.987 1.00 0.00 C ATOM 0 HA PRO A 83 81.163 -18.347 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 83 80.481 -21.291 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 83 79.899 -20.253 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 83 81.808 -22.029 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 83 81.885 -20.438 -4.701 1.00 0.00 H new ATOM 0 HD2 PRO A 83 83.521 -21.560 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 83 83.965 -20.359 -3.652 1.00 0.00 H new ATOM 1565 N GLY A 84 80.103 -17.950 -0.562 1.00 0.00 N ATOM 1566 CA GLY A 84 79.465 -17.653 0.704 1.00 0.00 C ATOM 1567 C GLY A 84 80.325 -16.770 1.585 1.00 0.00 C ATOM 1568 O GLY A 84 79.856 -16.236 2.591 1.00 0.00 O ATOM 0 H GLY A 84 80.069 -17.191 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.510 -17.161 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 84 79.248 -18.584 1.227 1.00 0.00 H new ATOM 1572 N GLN A 85 81.587 -16.613 1.205 1.00 0.00 N ATOM 1573 CA GLN A 85 82.523 -15.803 1.967 1.00 0.00 C ATOM 1574 C GLN A 85 83.131 -14.714 1.090 1.00 0.00 C ATOM 1575 O GLN A 85 83.933 -14.995 0.197 1.00 0.00 O ATOM 1576 CB GLN A 85 83.639 -16.677 2.540 1.00 0.00 C ATOM 1577 CG GLN A 85 84.593 -15.926 3.455 1.00 0.00 C ATOM 1578 CD GLN A 85 85.850 -16.718 3.760 1.00 0.00 C ATOM 1579 OE1 GLN A 85 85.838 -17.949 3.763 1.00 0.00 O ATOM 1580 NE2 GLN A 85 86.941 -16.021 4.033 1.00 0.00 N ATOM 0 H GLN A 85 81.985 -17.040 0.368 1.00 0.00 H new ATOM 0 HA GLN A 85 81.976 -15.335 2.785 1.00 0.00 H new ATOM 0 HB2 GLN A 85 83.193 -17.504 3.094 1.00 0.00 H new ATOM 0 HB3 GLN A 85 84.206 -17.113 1.717 1.00 0.00 H new ATOM 0 HG2 GLN A 85 84.868 -14.979 2.990 1.00 0.00 H new ATOM 0 HG3 GLN A 85 84.083 -15.686 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 85 86.911 -15.002 4.020 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.812 -16.503 4.256 1.00 0.00 H new ATOM 1589 N PHE A 86 82.738 -13.475 1.338 1.00 0.00 N ATOM 1590 CA PHE A 86 83.318 -12.345 0.631 1.00 0.00 C ATOM 1591 C PHE A 86 84.605 -11.916 1.317 1.00 0.00 C ATOM 1592 O PHE A 86 84.583 -11.312 2.389 1.00 0.00 O ATOM 1593 CB PHE A 86 82.327 -11.183 0.558 1.00 0.00 C ATOM 1594 CG PHE A 86 81.099 -11.505 -0.243 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.168 -11.606 -1.624 1.00 0.00 C ATOM 1596 CD2 PHE A 86 79.879 -11.711 0.380 1.00 0.00 C ATOM 1597 CE1 PHE A 86 80.045 -11.907 -2.368 1.00 0.00 C ATOM 1598 CE2 PHE A 86 78.750 -12.011 -0.361 1.00 0.00 C ATOM 1599 CZ PHE A 86 78.833 -12.110 -1.735 1.00 0.00 C ATOM 0 H PHE A 86 82.022 -13.227 2.021 1.00 0.00 H new ATOM 0 HA PHE A 86 83.548 -12.649 -0.390 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.031 -10.902 1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.823 -10.317 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.112 -11.447 -2.124 1.00 0.00 H new ATOM 0 HD2 PHE A 86 79.809 -11.637 1.455 1.00 0.00 H new ATOM 0 HE1 PHE A 86 80.113 -11.984 -3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 86 77.804 -12.168 0.136 1.00 0.00 H new ATOM 0 HZ PHE A 86 77.953 -12.346 -2.315 1.00 0.00 H new ATOM 1609 N HIS A 87 85.722 -12.249 0.696 1.00 0.00 N ATOM 1610 CA HIS A 87 87.033 -12.014 1.280 1.00 0.00 C ATOM 1611 C HIS A 87 87.719 -10.845 0.581 1.00 0.00 C ATOM 1612 O HIS A 87 87.790 -10.800 -0.647 1.00 0.00 O ATOM 1613 CB HIS A 87 87.863 -13.299 1.164 1.00 0.00 C ATOM 1614 CG HIS A 87 89.232 -13.231 1.770 1.00 0.00 C ATOM 1615 ND1 HIS A 87 89.465 -13.252 3.126 1.00 0.00 N ATOM 1616 CD2 HIS A 87 90.448 -13.184 1.184 1.00 0.00 C ATOM 1617 CE1 HIS A 87 90.765 -13.222 3.347 1.00 0.00 C ATOM 1618 NE2 HIS A 87 91.389 -13.183 2.183 1.00 0.00 N ATOM 0 H HIS A 87 85.748 -12.688 -0.224 1.00 0.00 H new ATOM 0 HA HIS A 87 86.932 -11.752 2.333 1.00 0.00 H new ATOM 0 HB2 HIS A 87 87.313 -14.112 1.638 1.00 0.00 H new ATOM 0 HB3 HIS A 87 87.962 -13.554 0.109 1.00 0.00 H new ATOM 0 HD2 HIS A 87 90.644 -13.153 0.122 1.00 0.00 H new ATOM 0 HE1 HIS A 87 91.240 -13.228 4.317 1.00 0.00 H new ATOM 0 HE2 HIS A 87 92.400 -13.157 2.049 1.00 0.00 H new ATOM 1627 N PHE A 88 88.214 -9.900 1.365 1.00 0.00 N ATOM 1628 CA PHE A 88 88.848 -8.710 0.816 1.00 0.00 C ATOM 1629 C PHE A 88 90.265 -9.020 0.363 1.00 0.00 C ATOM 1630 O PHE A 88 90.974 -9.799 1.001 1.00 0.00 O ATOM 1631 CB PHE A 88 88.870 -7.583 1.851 1.00 0.00 C ATOM 1632 CG PHE A 88 87.507 -7.073 2.227 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.929 -6.028 1.526 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.808 -7.634 3.285 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.679 -5.550 1.872 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.558 -7.161 3.636 1.00 0.00 C ATOM 1637 CZ PHE A 88 84.992 -6.118 2.928 1.00 0.00 C ATOM 0 H PHE A 88 88.189 -9.933 2.384 1.00 0.00 H new ATOM 0 HA PHE A 88 88.265 -8.385 -0.046 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.375 -7.938 2.750 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.461 -6.755 1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.461 -5.581 0.699 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.246 -8.450 3.841 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.240 -4.734 1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 88 85.024 -7.606 4.463 1.00 0.00 H new ATOM 0 HZ PHE A 88 84.015 -5.747 3.199 1.00 0.00 H new ATOM 1647 N ILE A 89 90.667 -8.422 -0.747 1.00 0.00 N ATOM 1648 CA ILE A 89 92.019 -8.588 -1.248 1.00 0.00 C ATOM 1649 C ILE A 89 92.673 -7.232 -1.478 1.00 0.00 C ATOM 1650 O ILE A 89 92.105 -6.350 -2.126 1.00 0.00 O ATOM 1651 CB ILE A 89 92.069 -9.416 -2.556 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.205 -8.773 -3.646 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.621 -10.846 -2.294 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.332 -9.439 -5.000 1.00 0.00 C ATOM 0 H ILE A 89 90.075 -7.818 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 89 92.570 -9.139 -0.486 1.00 0.00 H new ATOM 0 HB ILE A 89 93.100 -9.432 -2.910 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.161 -8.803 -3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.479 -7.722 -3.741 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.661 -11.416 -3.222 1.00 0.00 H new ATOM 0 HG22 ILE A 89 92.281 -11.305 -1.558 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.599 -10.843 -1.914 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.691 -8.928 -5.718 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.368 -9.386 -5.336 1.00 0.00 H new ATOM 0 HD13 ILE A 89 91.029 -10.483 -4.922 1.00 0.00 H new ATOM 1666 N PHE A 90 93.856 -7.059 -0.917 1.00 0.00 N ATOM 1667 CA PHE A 90 94.621 -5.847 -1.128 1.00 0.00 C ATOM 1668 C PHE A 90 95.504 -6.013 -2.351 1.00 0.00 C ATOM 1669 O PHE A 90 96.593 -6.584 -2.279 1.00 0.00 O ATOM 1670 CB PHE A 90 95.457 -5.508 0.107 1.00 0.00 C ATOM 1671 CG PHE A 90 94.628 -5.144 1.307 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.149 -6.126 2.162 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.324 -3.819 1.579 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.383 -5.793 3.263 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.558 -3.481 2.679 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.087 -4.469 3.522 1.00 0.00 C ATOM 0 H PHE A 90 94.307 -7.744 -0.311 1.00 0.00 H new ATOM 0 HA PHE A 90 93.934 -5.018 -1.297 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.087 -6.362 0.355 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.123 -4.678 -0.131 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.377 -7.163 1.965 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.690 -3.042 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.016 -6.567 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.328 -2.445 2.879 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.489 -4.207 4.382 1.00 0.00 H new ATOM 1686 N LEU A 91 95.005 -5.542 -3.479 1.00 0.00 N ATOM 1687 CA LEU A 91 95.686 -5.695 -4.748 1.00 0.00 C ATOM 1688 C LEU A 91 96.795 -4.657 -4.862 1.00 0.00 C ATOM 1689 O LEU A 91 96.536 -3.475 -5.099 1.00 0.00 O ATOM 1690 CB LEU A 91 94.679 -5.544 -5.890 1.00 0.00 C ATOM 1691 CG LEU A 91 94.971 -6.369 -7.139 1.00 0.00 C ATOM 1692 CD1 LEU A 91 95.051 -7.847 -6.789 1.00 0.00 C ATOM 1693 CD2 LEU A 91 93.894 -6.132 -8.183 1.00 0.00 C ATOM 0 H LEU A 91 94.117 -5.043 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 91 96.134 -6.687 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 91 93.691 -5.817 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 91 94.633 -4.492 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 91 95.932 -6.058 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 91 95.260 -8.424 -7.690 1.00 0.00 H new ATOM 0 HD12 LEU A 91 95.848 -8.006 -6.063 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.102 -8.172 -6.362 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.111 -6.725 -9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 91 92.925 -6.425 -7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 91 93.872 -5.075 -8.449 1.00 0.00 H new ATOM 1705 N ASN A 92 98.023 -5.098 -4.658 1.00 0.00 N ATOM 1706 CA ASN A 92 99.159 -4.195 -4.628 1.00 0.00 C ATOM 1707 C ASN A 92 100.088 -4.443 -5.810 1.00 0.00 C ATOM 1708 O ASN A 92 100.787 -5.453 -5.855 1.00 0.00 O ATOM 1709 CB ASN A 92 99.928 -4.366 -3.316 1.00 0.00 C ATOM 1710 CG ASN A 92 101.127 -3.445 -3.226 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.124 -2.349 -3.779 1.00 0.00 O ATOM 1712 ND2 ASN A 92 102.164 -3.888 -2.531 1.00 0.00 N ATOM 0 H ASN A 92 98.259 -6.079 -4.510 1.00 0.00 H new ATOM 0 HA ASN A 92 98.784 -3.174 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 92 99.259 -4.170 -2.478 1.00 0.00 H new ATOM 0 HB3 ASN A 92 100.260 -5.400 -3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 92 103.001 -3.312 -2.440 1.00 0.00 H new ATOM 0 HD22 ASN A 92 102.126 -4.805 -2.087 1.00 0.00 H new