USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 575 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 50 TYR OH : rot 115:sc= 0.956 USER MOD Set 1.2: A 70 ASN :FLIP amide:sc= -0.288 F(o=-1.5,f=0.67) USER MOD Single : A 6 THR OG1 : rot 137:sc= -0.482 USER MOD Single : A 8 LYS NZ :NH3+ 174:sc= 1.71 (180deg=1.48) USER MOD Single : A 14 THR OG1 : rot 32:sc= 0.214 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -134:sc= -9.46! (180deg=-13.1!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0287 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= -1.16 (180deg=-1.21) USER MOD Single : A 31 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.155) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -5.76 K(o=-5.8,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= -0.366 USER MOD Single : A 64 TYR OH : rot 122:sc= 1.21 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ILE A 5 58.111 2.552 -4.286 1.00 0.00 N ATOM 61 CA ILE A 5 59.563 2.384 -4.295 1.00 0.00 C ATOM 62 C ILE A 5 59.959 1.143 -5.117 1.00 0.00 C ATOM 63 O ILE A 5 59.149 0.260 -5.322 1.00 0.00 O ATOM 64 CB ILE A 5 60.069 2.308 -2.831 1.00 0.00 C ATOM 65 CG1 ILE A 5 60.480 3.707 -2.351 1.00 0.00 C ATOM 66 CG2 ILE A 5 61.251 1.376 -2.670 1.00 0.00 C ATOM 67 CD1 ILE A 5 61.559 3.725 -1.266 1.00 0.00 C ATOM 0 HA ILE A 5 60.037 3.239 -4.777 1.00 0.00 H new ATOM 0 HB ILE A 5 59.246 1.915 -2.233 1.00 0.00 H new ATOM 0 HG12 ILE A 5 60.837 4.279 -3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 5 59.596 4.219 -1.972 1.00 0.00 H new ATOM 0 HG21 ILE A 5 61.563 1.362 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 5 60.966 0.370 -2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 5 62.076 1.725 -3.291 1.00 0.00 H new ATOM 0 HD11 ILE A 5 61.782 4.756 -0.992 1.00 0.00 H new ATOM 0 HD12 ILE A 5 61.202 3.186 -0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 5 62.462 3.246 -1.643 1.00 0.00 H new ATOM 79 N THR A 6 61.246 1.136 -5.536 1.00 0.00 N ATOM 80 CA THR A 6 61.838 -0.006 -6.221 1.00 0.00 C ATOM 81 C THR A 6 63.220 -0.259 -5.615 1.00 0.00 C ATOM 82 O THR A 6 64.070 0.613 -5.638 1.00 0.00 O ATOM 83 CB THR A 6 61.947 0.330 -7.718 1.00 0.00 C ATOM 84 OG1 THR A 6 60.716 0.735 -8.267 1.00 0.00 O ATOM 85 CG2 THR A 6 62.471 -0.841 -8.562 1.00 0.00 C ATOM 0 H THR A 6 61.886 1.919 -5.404 1.00 0.00 H new ATOM 0 HA THR A 6 61.229 -0.903 -6.106 1.00 0.00 H new ATOM 0 HB THR A 6 62.663 1.151 -7.758 1.00 0.00 H new ATOM 0 HG1 THR A 6 60.858 1.504 -8.857 1.00 0.00 H new ATOM 0 HG21 THR A 6 62.525 -0.540 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 6 63.465 -1.124 -8.214 1.00 0.00 H new ATOM 0 HG23 THR A 6 61.796 -1.691 -8.463 1.00 0.00 H new ATOM 93 N LEU A 7 63.405 -1.472 -5.048 1.00 0.00 N ATOM 94 CA LEU A 7 64.693 -1.836 -4.464 1.00 0.00 C ATOM 95 C LEU A 7 65.272 -3.040 -5.217 1.00 0.00 C ATOM 96 O LEU A 7 64.612 -3.652 -6.047 1.00 0.00 O ATOM 97 CB LEU A 7 64.575 -2.184 -2.980 1.00 0.00 C ATOM 98 CG LEU A 7 63.729 -1.243 -2.124 1.00 0.00 C ATOM 99 CD1 LEU A 7 63.988 0.223 -2.421 1.00 0.00 C ATOM 100 CD2 LEU A 7 62.250 -1.599 -2.187 1.00 0.00 C ATOM 0 H LEU A 7 62.688 -2.195 -4.988 1.00 0.00 H new ATOM 0 HA LEU A 7 65.351 -0.972 -4.554 1.00 0.00 H new ATOM 0 HB2 LEU A 7 64.158 -3.188 -2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 7 65.579 -2.220 -2.557 1.00 0.00 H new ATOM 0 HG LEU A 7 64.048 -1.393 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 7 63.358 0.841 -1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 7 65.036 0.454 -2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 7 63.757 0.429 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 7 61.682 -0.907 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 7 61.903 -1.529 -3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 7 62.105 -2.616 -1.823 1.00 0.00 H new ATOM 112 N LYS A 8 66.540 -3.342 -4.856 1.00 0.00 N ATOM 113 CA LYS A 8 67.242 -4.455 -5.485 1.00 0.00 C ATOM 114 C LYS A 8 68.395 -4.886 -4.585 1.00 0.00 C ATOM 115 O LYS A 8 69.162 -4.073 -4.103 1.00 0.00 O ATOM 116 CB LYS A 8 67.792 -4.000 -6.842 1.00 0.00 C ATOM 117 CG LYS A 8 68.064 -5.129 -7.848 1.00 0.00 C ATOM 118 CD LYS A 8 67.924 -4.682 -9.318 1.00 0.00 C ATOM 119 CE LYS A 8 69.219 -4.716 -10.122 1.00 0.00 C ATOM 120 NZ LYS A 8 69.169 -3.901 -11.324 1.00 0.00 N ATOM 0 H LYS A 8 67.076 -2.838 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 8 66.560 -5.292 -5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 8 67.084 -3.301 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 8 68.719 -3.452 -6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 8 69.070 -5.515 -7.687 1.00 0.00 H new ATOM 0 HG3 LYS A 8 67.373 -5.950 -7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 8 67.191 -5.321 -9.809 1.00 0.00 H new ATOM 0 HD3 LYS A 8 67.527 -3.667 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 8 70.039 -4.372 -9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 8 69.440 -5.747 -10.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 70.108 -3.884 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 68.476 -4.303 -11.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 68.887 -2.931 -11.075 1.00 0.00 H new ATOM 218 N THR A 14 64.843 -8.309 -7.113 1.00 0.00 N ATOM 219 CA THR A 14 64.374 -6.949 -7.356 1.00 0.00 C ATOM 220 C THR A 14 62.872 -6.885 -7.056 1.00 0.00 C ATOM 221 O THR A 14 62.078 -7.623 -7.625 1.00 0.00 O ATOM 222 CB THR A 14 64.638 -6.535 -8.816 1.00 0.00 C ATOM 223 OG1 THR A 14 65.798 -7.174 -9.291 1.00 0.00 O ATOM 224 CG2 THR A 14 64.804 -5.018 -8.951 1.00 0.00 C ATOM 0 HA THR A 14 64.914 -6.260 -6.707 1.00 0.00 H new ATOM 0 HB THR A 14 63.774 -6.838 -9.408 1.00 0.00 H new ATOM 0 HG1 THR A 14 65.888 -8.050 -8.861 1.00 0.00 H new ATOM 0 HG21 THR A 14 64.989 -4.764 -9.995 1.00 0.00 H new ATOM 0 HG22 THR A 14 63.895 -4.521 -8.612 1.00 0.00 H new ATOM 0 HG23 THR A 14 65.646 -4.689 -8.343 1.00 0.00 H new ATOM 232 N PHE A 15 62.541 -5.957 -6.134 1.00 0.00 N ATOM 233 CA PHE A 15 61.160 -5.764 -5.705 1.00 0.00 C ATOM 234 C PHE A 15 60.879 -4.264 -5.591 1.00 0.00 C ATOM 235 O PHE A 15 61.683 -3.440 -5.999 1.00 0.00 O ATOM 236 CB PHE A 15 60.924 -6.516 -4.387 1.00 0.00 C ATOM 237 CG PHE A 15 62.093 -6.435 -3.440 1.00 0.00 C ATOM 238 CD1 PHE A 15 62.340 -5.275 -2.723 1.00 0.00 C ATOM 239 CD2 PHE A 15 62.924 -7.535 -3.248 1.00 0.00 C ATOM 240 CE1 PHE A 15 63.392 -5.225 -1.818 1.00 0.00 C ATOM 241 CE2 PHE A 15 63.973 -7.482 -2.343 1.00 0.00 C ATOM 242 CZ PHE A 15 64.205 -6.323 -1.623 1.00 0.00 C ATOM 0 H PHE A 15 63.214 -5.338 -5.681 1.00 0.00 H new ATOM 0 HA PHE A 15 60.463 -6.174 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 15 60.039 -6.109 -3.897 1.00 0.00 H new ATOM 0 HB3 PHE A 15 60.714 -7.563 -4.606 1.00 0.00 H new ATOM 0 HD1 PHE A 15 61.713 -4.408 -2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 15 62.750 -8.440 -3.811 1.00 0.00 H new ATOM 0 HE1 PHE A 15 63.576 -4.318 -1.261 1.00 0.00 H new ATOM 0 HE2 PHE A 15 64.608 -8.344 -2.200 1.00 0.00 H new ATOM 0 HZ PHE A 15 65.017 -6.278 -0.913 1.00 0.00 H new ATOM 252 N LYS A 16 59.679 -3.985 -5.035 1.00 0.00 N ATOM 253 CA LYS A 16 59.166 -2.634 -4.865 1.00 0.00 C ATOM 254 C LYS A 16 58.271 -2.610 -3.627 1.00 0.00 C ATOM 255 O LYS A 16 57.659 -3.611 -3.279 1.00 0.00 O ATOM 256 CB LYS A 16 58.310 -2.272 -6.091 1.00 0.00 C ATOM 257 CG LYS A 16 59.146 -1.943 -7.329 1.00 0.00 C ATOM 258 CD LYS A 16 58.337 -1.832 -8.616 1.00 0.00 C ATOM 259 CE LYS A 16 58.755 -2.898 -9.629 1.00 0.00 C ATOM 260 NZ LYS A 16 58.082 -4.164 -9.376 1.00 0.00 N ATOM 0 H LYS A 16 59.045 -4.707 -4.693 1.00 0.00 H new ATOM 0 HA LYS A 16 59.989 -1.928 -4.757 1.00 0.00 H new ATOM 0 HB2 LYS A 16 57.644 -3.104 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 16 57.680 -1.417 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 16 59.671 -1.003 -7.160 1.00 0.00 H new ATOM 0 HG3 LYS A 16 59.906 -2.714 -7.456 1.00 0.00 H new ATOM 0 HD2 LYS A 16 57.276 -1.937 -8.391 1.00 0.00 H new ATOM 0 HD3 LYS A 16 58.474 -0.841 -9.050 1.00 0.00 H new ATOM 0 HE2 LYS A 16 58.522 -2.555 -10.637 1.00 0.00 H new ATOM 0 HE3 LYS A 16 59.834 -3.042 -9.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 58.387 -4.866 -10.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 58.325 -4.502 -8.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 57.053 -4.030 -9.444 1.00 0.00 H new ATOM 274 N ILE A 17 58.226 -1.413 -2.995 1.00 0.00 N ATOM 275 CA ILE A 17 57.439 -1.241 -1.776 1.00 0.00 C ATOM 276 C ILE A 17 56.489 -0.060 -1.960 1.00 0.00 C ATOM 277 O ILE A 17 56.701 0.784 -2.812 1.00 0.00 O ATOM 278 CB ILE A 17 58.371 -1.001 -0.589 1.00 0.00 C ATOM 279 CG1 ILE A 17 59.477 -2.067 -0.527 1.00 0.00 C ATOM 280 CG2 ILE A 17 57.587 -0.945 0.718 1.00 0.00 C ATOM 281 CD1 ILE A 17 59.044 -3.503 -0.224 1.00 0.00 C ATOM 0 H ILE A 17 58.718 -0.576 -3.309 1.00 0.00 H new ATOM 0 HA ILE A 17 56.856 -2.141 -1.579 1.00 0.00 H new ATOM 0 HB ILE A 17 58.852 -0.033 -0.732 1.00 0.00 H new ATOM 0 HG12 ILE A 17 60.002 -2.066 -1.482 1.00 0.00 H new ATOM 0 HG13 ILE A 17 60.197 -1.763 0.233 1.00 0.00 H new ATOM 0 HG21 ILE A 17 58.274 -0.773 1.547 1.00 0.00 H new ATOM 0 HG22 ILE A 17 56.862 -0.132 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 17 57.064 -1.889 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 17 59.920 -4.152 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 17 58.551 -3.537 0.748 1.00 0.00 H new ATOM 0 HD13 ILE A 17 58.352 -3.845 -0.994 1.00 0.00 H new ATOM 293 N ARG A 18 55.440 -0.055 -1.111 1.00 0.00 N ATOM 294 CA ARG A 18 54.451 1.011 -1.127 1.00 0.00 C ATOM 295 C ARG A 18 54.664 1.982 0.050 1.00 0.00 C ATOM 296 O ARG A 18 53.831 2.101 0.941 1.00 0.00 O ATOM 297 CB ARG A 18 53.063 0.381 -1.015 1.00 0.00 C ATOM 298 CG ARG A 18 51.966 1.385 -1.391 1.00 0.00 C ATOM 299 CD ARG A 18 50.749 1.301 -0.463 1.00 0.00 C ATOM 300 NE ARG A 18 50.117 -0.012 -0.521 1.00 0.00 N ATOM 301 CZ ARG A 18 49.426 -0.431 -1.604 1.00 0.00 C ATOM 302 NH1 ARG A 18 49.302 0.339 -2.683 1.00 0.00 N ATOM 303 NH2 ARG A 18 48.861 -1.633 -1.593 1.00 0.00 N ATOM 0 H ARG A 18 55.268 -0.779 -0.414 1.00 0.00 H new ATOM 0 HA ARG A 18 54.549 1.574 -2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.002 -0.490 -1.668 1.00 0.00 H new ATOM 0 HB3 ARG A 18 52.902 0.027 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 18 52.375 2.395 -1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 18 51.649 1.204 -2.418 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.057 1.512 0.561 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.025 2.066 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 18 50.199 -0.635 0.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 49.733 1.263 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 18 48.776 0.005 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 18 48.951 -2.231 -0.772 1.00 0.00 H new ATOM 0 HH22 ARG A 18 48.337 -1.958 -2.406 1.00 0.00 H new ATOM 317 N MET A 19 55.815 2.676 -0.010 1.00 0.00 N ATOM 318 CA MET A 19 56.138 3.657 1.021 1.00 0.00 C ATOM 319 C MET A 19 55.967 5.075 0.461 1.00 0.00 C ATOM 320 O MET A 19 55.548 5.257 -0.672 1.00 0.00 O ATOM 321 CB MET A 19 57.577 3.436 1.448 1.00 0.00 C ATOM 322 CG MET A 19 58.566 3.733 0.314 1.00 0.00 C ATOM 323 SD MET A 19 59.608 5.136 0.736 1.00 0.00 S ATOM 324 CE MET A 19 60.263 4.519 2.295 1.00 0.00 C ATOM 0 H MET A 19 56.516 2.575 -0.744 1.00 0.00 H new ATOM 0 HA MET A 19 55.472 3.542 1.876 1.00 0.00 H new ATOM 0 HB2 MET A 19 57.803 4.074 2.303 1.00 0.00 H new ATOM 0 HB3 MET A 19 57.703 2.405 1.778 1.00 0.00 H new ATOM 0 HG2 MET A 19 59.186 2.856 0.125 1.00 0.00 H new ATOM 0 HG3 MET A 19 58.021 3.942 -0.606 1.00 0.00 H new ATOM 0 HE1 MET A 19 60.210 5.305 3.048 1.00 0.00 H new ATOM 0 HE2 MET A 19 59.675 3.662 2.623 1.00 0.00 H new ATOM 0 HE3 MET A 19 61.301 4.216 2.159 1.00 0.00 H new ATOM 334 N GLU A 20 56.348 6.053 1.316 1.00 0.00 N ATOM 335 CA GLU A 20 56.237 7.458 0.945 1.00 0.00 C ATOM 336 C GLU A 20 57.640 8.093 0.961 1.00 0.00 C ATOM 337 O GLU A 20 58.429 7.815 1.854 1.00 0.00 O ATOM 338 CB GLU A 20 55.303 8.166 1.932 1.00 0.00 C ATOM 339 CG GLU A 20 54.813 9.521 1.394 1.00 0.00 C ATOM 340 CD GLU A 20 53.739 10.166 2.290 1.00 0.00 C ATOM 341 OE1 GLU A 20 53.011 9.444 2.971 1.00 0.00 O ATOM 342 OE2 GLU A 20 53.638 11.391 2.293 1.00 0.00 O ATOM 0 H GLU A 20 56.727 5.886 2.248 1.00 0.00 H new ATOM 0 HA GLU A 20 55.821 7.557 -0.057 1.00 0.00 H new ATOM 0 HB2 GLU A 20 54.445 7.527 2.140 1.00 0.00 H new ATOM 0 HB3 GLU A 20 55.824 8.319 2.877 1.00 0.00 H new ATOM 0 HG2 GLU A 20 55.661 10.200 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 20 54.408 9.384 0.391 1.00 0.00 H new ATOM 349 N PRO A 21 57.930 8.977 -0.047 1.00 0.00 N ATOM 350 CA PRO A 21 59.198 9.709 -0.077 1.00 0.00 C ATOM 351 C PRO A 21 59.482 10.614 1.141 1.00 0.00 C ATOM 352 O PRO A 21 60.591 11.089 1.328 1.00 0.00 O ATOM 353 CB PRO A 21 59.111 10.583 -1.340 1.00 0.00 C ATOM 354 CG PRO A 21 58.025 9.941 -2.195 1.00 0.00 C ATOM 355 CD PRO A 21 57.083 9.266 -1.203 1.00 0.00 C ATOM 0 HA PRO A 21 60.014 8.986 -0.064 1.00 0.00 H new ATOM 0 HB2 PRO A 21 58.858 11.613 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 21 60.064 10.609 -1.868 1.00 0.00 H new ATOM 0 HG2 PRO A 21 57.500 10.688 -2.791 1.00 0.00 H new ATOM 0 HG3 PRO A 21 58.448 9.217 -2.891 1.00 0.00 H new ATOM 0 HD2 PRO A 21 56.252 9.919 -0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 21 56.652 8.355 -1.619 1.00 0.00 H new ATOM 363 N ASP A 22 58.429 10.813 1.960 1.00 0.00 N ATOM 364 CA ASP A 22 58.542 11.655 3.146 1.00 0.00 C ATOM 365 C ASP A 22 59.081 10.871 4.350 1.00 0.00 C ATOM 366 O ASP A 22 59.750 11.437 5.207 1.00 0.00 O ATOM 367 CB ASP A 22 57.165 12.246 3.483 1.00 0.00 C ATOM 368 CG ASP A 22 56.829 13.422 2.549 1.00 0.00 C ATOM 369 OD1 ASP A 22 57.539 14.428 2.592 1.00 0.00 O ATOM 370 OD2 ASP A 22 55.863 13.327 1.794 1.00 0.00 O ATOM 0 H ASP A 22 57.506 10.403 1.816 1.00 0.00 H new ATOM 0 HA ASP A 22 59.250 12.455 2.929 1.00 0.00 H new ATOM 0 HB2 ASP A 22 56.401 11.474 3.391 1.00 0.00 H new ATOM 0 HB3 ASP A 22 57.154 12.584 4.519 1.00 0.00 H new ATOM 375 N GLU A 23 58.768 9.554 4.368 1.00 0.00 N ATOM 376 CA GLU A 23 59.226 8.685 5.451 1.00 0.00 C ATOM 377 C GLU A 23 60.755 8.676 5.523 1.00 0.00 C ATOM 378 O GLU A 23 61.444 9.045 4.581 1.00 0.00 O ATOM 379 CB GLU A 23 58.705 7.257 5.226 1.00 0.00 C ATOM 380 CG GLU A 23 57.185 7.164 5.433 1.00 0.00 C ATOM 381 CD GLU A 23 56.826 7.077 6.930 1.00 0.00 C ATOM 382 OE1 GLU A 23 56.821 5.979 7.476 1.00 0.00 O ATOM 383 OE2 GLU A 23 56.546 8.108 7.537 1.00 0.00 O ATOM 0 H GLU A 23 58.210 9.087 3.654 1.00 0.00 H new ATOM 0 HA GLU A 23 58.837 9.068 6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 23 58.954 6.934 4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 23 59.207 6.575 5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 23 56.702 8.036 4.991 1.00 0.00 H new ATOM 0 HG3 GLU A 23 56.798 6.288 4.913 1.00 0.00 H new ATOM 390 N THR A 24 61.222 8.247 6.714 1.00 0.00 N ATOM 391 CA THR A 24 62.650 8.228 6.988 1.00 0.00 C ATOM 392 C THR A 24 63.299 6.906 6.579 1.00 0.00 C ATOM 393 O THR A 24 64.357 6.584 7.089 1.00 0.00 O ATOM 394 CB THR A 24 62.956 8.581 8.458 1.00 0.00 C ATOM 395 OG1 THR A 24 61.826 8.381 9.266 1.00 0.00 O ATOM 396 CG2 THR A 24 63.452 10.021 8.597 1.00 0.00 C ATOM 0 H THR A 24 60.634 7.918 7.480 1.00 0.00 H new ATOM 0 HA THR A 24 63.098 9.005 6.368 1.00 0.00 H new ATOM 0 HB THR A 24 63.750 7.914 8.793 1.00 0.00 H new ATOM 0 HG1 THR A 24 62.043 8.609 10.194 1.00 0.00 H new ATOM 0 HG21 THR A 24 63.658 10.235 9.646 1.00 0.00 H new ATOM 0 HG22 THR A 24 64.364 10.149 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 24 62.688 10.706 8.230 1.00 0.00 H new ATOM 404 N VAL A 25 62.679 6.165 5.638 1.00 0.00 N ATOM 405 CA VAL A 25 63.284 4.918 5.157 1.00 0.00 C ATOM 406 C VAL A 25 63.078 3.764 6.152 1.00 0.00 C ATOM 407 O VAL A 25 62.985 2.624 5.738 1.00 0.00 O ATOM 408 CB VAL A 25 64.792 5.023 4.796 1.00 0.00 C ATOM 409 CG1 VAL A 25 65.338 3.732 4.170 1.00 0.00 C ATOM 410 CG2 VAL A 25 65.119 6.233 3.912 1.00 0.00 C ATOM 0 H VAL A 25 61.785 6.404 5.209 1.00 0.00 H new ATOM 0 HA VAL A 25 62.754 4.709 4.228 1.00 0.00 H new ATOM 0 HB VAL A 25 65.300 5.174 5.748 1.00 0.00 H new ATOM 0 HG11 VAL A 25 66.395 3.859 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 25 65.218 2.908 4.873 1.00 0.00 H new ATOM 0 HG13 VAL A 25 64.789 3.511 3.255 1.00 0.00 H new ATOM 0 HG21 VAL A 25 66.187 6.248 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 25 64.561 6.163 2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 25 64.841 7.150 4.432 1.00 0.00 H new ATOM 420 N LYS A 26 63.012 4.076 7.465 1.00 0.00 N ATOM 421 CA LYS A 26 62.803 3.034 8.464 1.00 0.00 C ATOM 422 C LYS A 26 61.554 2.205 8.169 1.00 0.00 C ATOM 423 O LYS A 26 61.545 0.992 8.318 1.00 0.00 O ATOM 424 CB LYS A 26 62.635 3.642 9.853 1.00 0.00 C ATOM 425 CG LYS A 26 62.609 2.588 10.963 1.00 0.00 C ATOM 426 CD LYS A 26 62.339 3.248 12.314 1.00 0.00 C ATOM 427 CE LYS A 26 63.617 3.712 13.025 1.00 0.00 C ATOM 428 NZ LYS A 26 63.577 5.112 13.423 1.00 0.00 N ATOM 0 H LYS A 26 63.099 5.021 7.840 1.00 0.00 H new ATOM 0 HA LYS A 26 63.684 2.393 8.427 1.00 0.00 H new ATOM 0 HB2 LYS A 26 63.451 4.340 10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 26 61.710 4.218 9.883 1.00 0.00 H new ATOM 0 HG2 LYS A 26 61.838 1.847 10.752 1.00 0.00 H new ATOM 0 HG3 LYS A 26 63.561 2.058 10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 26 61.681 4.104 12.168 1.00 0.00 H new ATOM 0 HD3 LYS A 26 61.809 2.544 12.956 1.00 0.00 H new ATOM 0 HE2 LYS A 26 63.778 3.094 13.909 1.00 0.00 H new ATOM 0 HE3 LYS A 26 64.470 3.553 12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 64.468 5.364 13.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 63.453 5.709 12.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 62.782 5.265 14.076 1.00 0.00 H new ATOM 442 N VAL A 27 60.511 2.943 7.733 1.00 0.00 N ATOM 443 CA VAL A 27 59.261 2.283 7.396 1.00 0.00 C ATOM 444 C VAL A 27 59.479 1.267 6.276 1.00 0.00 C ATOM 445 O VAL A 27 58.928 0.184 6.291 1.00 0.00 O ATOM 446 CB VAL A 27 58.184 3.319 7.021 1.00 0.00 C ATOM 447 CG1 VAL A 27 58.021 3.556 5.503 1.00 0.00 C ATOM 448 CG2 VAL A 27 56.827 2.964 7.662 1.00 0.00 C ATOM 0 H VAL A 27 60.518 3.956 7.614 1.00 0.00 H new ATOM 0 HA VAL A 27 58.904 1.740 8.271 1.00 0.00 H new ATOM 0 HB VAL A 27 58.545 4.263 7.429 1.00 0.00 H new ATOM 0 HG11 VAL A 27 57.242 4.299 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.963 3.915 5.088 1.00 0.00 H new ATOM 0 HG13 VAL A 27 57.743 2.621 5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 27 56.085 3.712 7.381 1.00 0.00 H new ATOM 0 HG22 VAL A 27 56.505 1.983 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 27 56.931 2.946 8.747 1.00 0.00 H new ATOM 458 N LEU A 28 60.337 1.680 5.323 1.00 0.00 N ATOM 459 CA LEU A 28 60.645 0.837 4.185 1.00 0.00 C ATOM 460 C LEU A 28 61.285 -0.455 4.626 1.00 0.00 C ATOM 461 O LEU A 28 61.013 -1.523 4.100 1.00 0.00 O ATOM 462 CB LEU A 28 61.663 1.541 3.299 1.00 0.00 C ATOM 463 CG LEU A 28 61.999 0.788 2.038 1.00 0.00 C ATOM 464 CD1 LEU A 28 60.774 0.546 1.187 1.00 0.00 C ATOM 465 CD2 LEU A 28 63.107 1.463 1.254 1.00 0.00 C ATOM 0 H LEU A 28 60.815 2.581 5.330 1.00 0.00 H new ATOM 0 HA LEU A 28 59.711 0.638 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 28 61.278 2.525 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 28 62.578 1.701 3.870 1.00 0.00 H new ATOM 0 HG LEU A 28 62.376 -0.189 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 28 61.058 0.001 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 28 60.048 -0.039 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 28 60.331 1.502 0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 28 63.318 0.887 0.353 1.00 0.00 H new ATOM 0 HD22 LEU A 28 62.795 2.470 0.977 1.00 0.00 H new ATOM 0 HD23 LEU A 28 64.006 1.518 1.868 1.00 0.00 H new ATOM 477 N LYS A 29 62.162 -0.269 5.625 1.00 0.00 N ATOM 478 CA LYS A 29 62.825 -1.406 6.201 1.00 0.00 C ATOM 479 C LYS A 29 61.789 -2.414 6.697 1.00 0.00 C ATOM 480 O LYS A 29 61.936 -3.604 6.491 1.00 0.00 O ATOM 481 CB LYS A 29 63.754 -0.940 7.309 1.00 0.00 C ATOM 482 CG LYS A 29 64.722 0.146 6.842 1.00 0.00 C ATOM 483 CD LYS A 29 66.014 0.094 7.630 1.00 0.00 C ATOM 484 CE LYS A 29 67.048 1.098 7.139 1.00 0.00 C ATOM 485 NZ LYS A 29 68.270 1.101 7.946 1.00 0.00 N ATOM 0 H LYS A 29 62.410 0.635 6.027 1.00 0.00 H new ATOM 0 HA LYS A 29 63.432 -1.911 5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 29 63.161 -0.560 8.141 1.00 0.00 H new ATOM 0 HB3 LYS A 29 64.322 -1.791 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 64.934 0.018 5.780 1.00 0.00 H new ATOM 0 HG3 LYS A 29 64.259 1.126 6.959 1.00 0.00 H new ATOM 0 HD2 LYS A 29 65.800 0.285 8.682 1.00 0.00 H new ATOM 0 HD3 LYS A 29 66.432 -0.911 7.567 1.00 0.00 H new ATOM 0 HE2 LYS A 29 67.303 0.872 6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 29 66.610 2.096 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 68.901 1.860 7.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 68.026 1.260 8.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 68.752 0.185 7.849 1.00 0.00 H new ATOM 499 N GLU A 30 60.716 -1.866 7.310 1.00 0.00 N ATOM 500 CA GLU A 30 59.650 -2.719 7.820 1.00 0.00 C ATOM 501 C GLU A 30 58.999 -3.557 6.711 1.00 0.00 C ATOM 502 O GLU A 30 58.702 -4.724 6.917 1.00 0.00 O ATOM 503 CB GLU A 30 58.587 -1.892 8.556 1.00 0.00 C ATOM 504 CG GLU A 30 59.178 -1.130 9.749 1.00 0.00 C ATOM 505 CD GLU A 30 58.061 -0.630 10.678 1.00 0.00 C ATOM 506 OE1 GLU A 30 57.507 -1.443 11.417 1.00 0.00 O ATOM 507 OE2 GLU A 30 57.758 0.563 10.654 1.00 0.00 O ATOM 0 H GLU A 30 60.577 -0.866 7.455 1.00 0.00 H new ATOM 0 HA GLU A 30 60.110 -3.409 8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 58.133 -1.184 7.862 1.00 0.00 H new ATOM 0 HB3 GLU A 30 57.792 -2.551 8.904 1.00 0.00 H new ATOM 0 HG2 GLU A 30 59.856 -1.780 10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 30 59.767 -0.285 9.392 1.00 0.00 H new ATOM 514 N LYS A 31 58.813 -2.905 5.546 1.00 0.00 N ATOM 515 CA LYS A 31 58.144 -3.541 4.415 1.00 0.00 C ATOM 516 C LYS A 31 59.018 -4.614 3.744 1.00 0.00 C ATOM 517 O LYS A 31 58.607 -5.758 3.621 1.00 0.00 O ATOM 518 CB LYS A 31 57.792 -2.477 3.385 1.00 0.00 C ATOM 519 CG LYS A 31 56.449 -1.777 3.603 1.00 0.00 C ATOM 520 CD LYS A 31 56.318 -1.203 5.002 1.00 0.00 C ATOM 521 CE LYS A 31 55.201 -0.178 5.128 1.00 0.00 C ATOM 522 NZ LYS A 31 53.941 -0.694 4.616 1.00 0.00 N ATOM 0 H LYS A 31 59.117 -1.947 5.373 1.00 0.00 H new ATOM 0 HA LYS A 31 57.249 -4.033 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 31 58.580 -1.724 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 31 57.787 -2.938 2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 31 56.337 -0.976 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 31 55.640 -2.486 3.426 1.00 0.00 H new ATOM 0 HD2 LYS A 31 56.137 -2.016 5.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 57.262 -0.739 5.287 1.00 0.00 H new ATOM 0 HE2 LYS A 31 55.081 0.104 6.174 1.00 0.00 H new ATOM 0 HE3 LYS A 31 55.473 0.726 4.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 53.173 -0.034 4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 54.002 -0.796 3.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 53.746 -1.621 5.045 1.00 0.00 H new ATOM 536 N ILE A 32 60.221 -4.181 3.304 1.00 0.00 N ATOM 537 CA ILE A 32 61.198 -5.078 2.681 1.00 0.00 C ATOM 538 C ILE A 32 61.510 -6.277 3.581 1.00 0.00 C ATOM 539 O ILE A 32 61.667 -7.397 3.116 1.00 0.00 O ATOM 540 CB ILE A 32 62.493 -4.304 2.369 1.00 0.00 C ATOM 541 CG1 ILE A 32 62.263 -3.351 1.211 1.00 0.00 C ATOM 542 CG2 ILE A 32 63.670 -5.214 2.022 1.00 0.00 C ATOM 543 CD1 ILE A 32 63.208 -2.163 1.216 1.00 0.00 C ATOM 0 H ILE A 32 60.531 -3.212 3.373 1.00 0.00 H new ATOM 0 HA ILE A 32 60.766 -5.457 1.755 1.00 0.00 H new ATOM 0 HB ILE A 32 62.749 -3.761 3.279 1.00 0.00 H new ATOM 0 HG12 ILE A 32 62.378 -3.895 0.273 1.00 0.00 H new ATOM 0 HG13 ILE A 32 61.235 -2.989 1.245 1.00 0.00 H new ATOM 0 HG21 ILE A 32 64.550 -4.606 1.813 1.00 0.00 H new ATOM 0 HG22 ILE A 32 63.878 -5.877 2.862 1.00 0.00 H new ATOM 0 HG23 ILE A 32 63.423 -5.809 1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 32 62.990 -1.521 0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 32 63.076 -1.597 2.138 1.00 0.00 H new ATOM 0 HD13 ILE A 32 64.237 -2.516 1.151 1.00 0.00 H new ATOM 555 N GLU A 33 61.594 -5.964 4.886 1.00 0.00 N ATOM 556 CA GLU A 33 61.858 -7.002 5.867 1.00 0.00 C ATOM 557 C GLU A 33 60.644 -7.925 6.013 1.00 0.00 C ATOM 558 O GLU A 33 60.774 -9.099 6.302 1.00 0.00 O ATOM 559 CB GLU A 33 62.172 -6.368 7.220 1.00 0.00 C ATOM 560 CG GLU A 33 62.823 -7.336 8.209 1.00 0.00 C ATOM 561 CD GLU A 33 62.056 -7.420 9.531 1.00 0.00 C ATOM 562 OE1 GLU A 33 60.987 -8.028 9.551 1.00 0.00 O ATOM 563 OE2 GLU A 33 62.539 -6.883 10.527 1.00 0.00 O ATOM 0 H GLU A 33 61.485 -5.024 5.267 1.00 0.00 H new ATOM 0 HA GLU A 33 62.712 -7.588 5.527 1.00 0.00 H new ATOM 0 HB2 GLU A 33 62.834 -5.516 7.068 1.00 0.00 H new ATOM 0 HB3 GLU A 33 61.250 -5.982 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 33 62.878 -8.328 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 33 63.847 -7.017 8.405 1.00 0.00 H new ATOM 570 N ALA A 34 59.454 -7.340 5.790 1.00 0.00 N ATOM 571 CA ALA A 34 58.237 -8.145 5.824 1.00 0.00 C ATOM 572 C ALA A 34 58.139 -9.085 4.608 1.00 0.00 C ATOM 573 O ALA A 34 57.539 -10.150 4.677 1.00 0.00 O ATOM 574 CB ALA A 34 57.004 -7.232 5.891 1.00 0.00 C ATOM 0 H ALA A 34 59.317 -6.349 5.592 1.00 0.00 H new ATOM 0 HA ALA A 34 58.275 -8.768 6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 34 56.101 -7.842 5.916 1.00 0.00 H new ATOM 0 HB2 ALA A 34 57.053 -6.619 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 34 56.982 -6.586 5.013 1.00 0.00 H new ATOM 580 N GLU A 35 58.762 -8.625 3.504 1.00 0.00 N ATOM 581 CA GLU A 35 58.759 -9.396 2.272 1.00 0.00 C ATOM 582 C GLU A 35 59.704 -10.601 2.410 1.00 0.00 C ATOM 583 O GLU A 35 59.358 -11.721 2.055 1.00 0.00 O ATOM 584 CB GLU A 35 59.170 -8.470 1.120 1.00 0.00 C ATOM 585 CG GLU A 35 59.502 -9.223 -0.182 1.00 0.00 C ATOM 586 CD GLU A 35 60.484 -8.443 -1.043 1.00 0.00 C ATOM 587 OE1 GLU A 35 61.484 -7.950 -0.516 1.00 0.00 O ATOM 588 OE2 GLU A 35 60.232 -8.357 -2.239 1.00 0.00 O ATOM 0 H GLU A 35 59.262 -7.737 3.452 1.00 0.00 H new ATOM 0 HA GLU A 35 57.765 -9.790 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 35 58.363 -7.763 0.926 1.00 0.00 H new ATOM 0 HB3 GLU A 35 60.039 -7.886 1.425 1.00 0.00 H new ATOM 0 HG2 GLU A 35 59.923 -10.199 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 58.585 -9.401 -0.744 1.00 0.00 H new ATOM 595 N LYS A 36 60.911 -10.290 2.922 1.00 0.00 N ATOM 596 CA LYS A 36 61.964 -11.289 3.016 1.00 0.00 C ATOM 597 C LYS A 36 62.018 -11.893 4.422 1.00 0.00 C ATOM 598 O LYS A 36 61.765 -13.075 4.617 1.00 0.00 O ATOM 599 CB LYS A 36 63.286 -10.645 2.583 1.00 0.00 C ATOM 600 CG LYS A 36 63.938 -11.481 1.472 1.00 0.00 C ATOM 601 CD LYS A 36 63.160 -11.436 0.157 1.00 0.00 C ATOM 602 CE LYS A 36 62.895 -12.846 -0.360 1.00 0.00 C ATOM 603 NZ LYS A 36 62.785 -12.886 -1.807 1.00 0.00 N ATOM 0 H LYS A 36 61.167 -9.366 3.269 1.00 0.00 H new ATOM 0 HA LYS A 36 61.760 -12.124 2.346 1.00 0.00 H new ATOM 0 HB2 LYS A 36 63.107 -9.630 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 36 63.960 -10.570 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 36 64.952 -11.120 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 36 64.020 -12.516 1.804 1.00 0.00 H new ATOM 0 HD2 LYS A 36 62.215 -10.914 0.305 1.00 0.00 H new ATOM 0 HD3 LYS A 36 63.723 -10.871 -0.586 1.00 0.00 H new ATOM 0 HE2 LYS A 36 63.701 -13.506 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 36 61.975 -13.227 0.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 62.605 -13.863 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 62.000 -12.277 -2.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 63.672 -12.547 -2.232 1.00 0.00 H new ATOM 617 N GLY A 37 62.365 -11.008 5.374 1.00 0.00 N ATOM 618 CA GLY A 37 62.435 -11.387 6.779 1.00 0.00 C ATOM 619 C GLY A 37 63.640 -10.716 7.426 1.00 0.00 C ATOM 620 O GLY A 37 64.405 -10.007 6.784 1.00 0.00 O ATOM 0 H GLY A 37 62.598 -10.033 5.188 1.00 0.00 H new ATOM 0 HA2 GLY A 37 61.521 -11.090 7.293 1.00 0.00 H new ATOM 0 HA3 GLY A 37 62.515 -12.470 6.871 1.00 0.00 H new ATOM 624 N ARG A 38 63.757 -10.997 8.741 1.00 0.00 N ATOM 625 CA ARG A 38 64.900 -10.507 9.508 1.00 0.00 C ATOM 626 C ARG A 38 66.194 -11.271 9.169 1.00 0.00 C ATOM 627 O ARG A 38 67.274 -10.898 9.609 1.00 0.00 O ATOM 628 CB ARG A 38 64.619 -10.626 11.016 1.00 0.00 C ATOM 629 CG ARG A 38 64.008 -9.357 11.604 1.00 0.00 C ATOM 630 CD ARG A 38 63.979 -9.396 13.136 1.00 0.00 C ATOM 631 NE ARG A 38 63.063 -8.399 13.679 1.00 0.00 N ATOM 632 CZ ARG A 38 61.720 -8.561 13.630 1.00 0.00 C ATOM 633 NH1 ARG A 38 61.174 -9.630 13.053 1.00 0.00 N ATOM 634 NH2 ARG A 38 60.930 -7.638 14.168 1.00 0.00 N ATOM 0 H ARG A 38 63.086 -11.549 9.276 1.00 0.00 H new ATOM 0 HA ARG A 38 65.044 -9.461 9.237 1.00 0.00 H new ATOM 0 HB2 ARG A 38 63.944 -11.464 11.190 1.00 0.00 H new ATOM 0 HB3 ARG A 38 65.549 -10.852 11.538 1.00 0.00 H new ATOM 0 HG2 ARG A 38 64.581 -8.491 11.273 1.00 0.00 H new ATOM 0 HG3 ARG A 38 62.994 -9.232 11.224 1.00 0.00 H new ATOM 0 HD2 ARG A 38 63.677 -10.389 13.470 1.00 0.00 H new ATOM 0 HD3 ARG A 38 64.982 -9.220 13.525 1.00 0.00 H new ATOM 0 HE ARG A 38 63.445 -7.556 14.108 1.00 0.00 H new ATOM 0 HH11 ARG A 38 61.770 -10.346 12.637 1.00 0.00 H new ATOM 0 HH12 ARG A 38 60.160 -9.733 13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 38 61.337 -6.815 14.613 1.00 0.00 H new ATOM 0 HH22 ARG A 38 59.917 -7.752 14.136 1.00 0.00 H new ATOM 648 N ASP A 39 66.031 -12.353 8.382 1.00 0.00 N ATOM 649 CA ASP A 39 67.175 -13.168 7.995 1.00 0.00 C ATOM 650 C ASP A 39 67.744 -12.685 6.664 1.00 0.00 C ATOM 651 O ASP A 39 68.948 -12.710 6.439 1.00 0.00 O ATOM 652 CB ASP A 39 66.740 -14.645 7.895 1.00 0.00 C ATOM 653 CG ASP A 39 67.423 -15.502 8.977 1.00 0.00 C ATOM 654 OD1 ASP A 39 68.648 -15.444 9.090 1.00 0.00 O ATOM 655 OD2 ASP A 39 66.725 -16.217 9.693 1.00 0.00 O ATOM 0 H ASP A 39 65.134 -12.669 8.014 1.00 0.00 H new ATOM 0 HA ASP A 39 67.956 -13.077 8.750 1.00 0.00 H new ATOM 0 HB2 ASP A 39 65.657 -14.716 8.001 1.00 0.00 H new ATOM 0 HB3 ASP A 39 66.990 -15.034 6.908 1.00 0.00 H new ATOM 660 N ALA A 40 66.808 -12.252 5.799 1.00 0.00 N ATOM 661 CA ALA A 40 67.228 -11.786 4.494 1.00 0.00 C ATOM 662 C ALA A 40 67.690 -10.329 4.598 1.00 0.00 C ATOM 663 O ALA A 40 68.842 -10.018 4.323 1.00 0.00 O ATOM 664 CB ALA A 40 66.088 -11.963 3.504 1.00 0.00 C ATOM 0 H ALA A 40 65.805 -12.220 5.980 1.00 0.00 H new ATOM 0 HA ALA A 40 68.072 -12.372 4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 40 66.402 -11.613 2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 40 65.818 -13.017 3.444 1.00 0.00 H new ATOM 0 HB3 ALA A 40 65.225 -11.386 3.836 1.00 0.00 H new ATOM 670 N PHE A 41 66.721 -9.471 4.996 1.00 0.00 N ATOM 671 CA PHE A 41 66.976 -8.039 5.101 1.00 0.00 C ATOM 672 C PHE A 41 66.389 -7.544 6.439 1.00 0.00 C ATOM 673 O PHE A 41 65.279 -7.035 6.481 1.00 0.00 O ATOM 674 CB PHE A 41 66.360 -7.249 3.926 1.00 0.00 C ATOM 675 CG PHE A 41 66.398 -7.942 2.602 1.00 0.00 C ATOM 676 CD1 PHE A 41 67.582 -8.454 2.094 1.00 0.00 C ATOM 677 CD2 PHE A 41 65.230 -8.084 1.870 1.00 0.00 C ATOM 678 CE1 PHE A 41 67.578 -9.170 0.910 1.00 0.00 C ATOM 679 CE2 PHE A 41 65.232 -8.735 0.657 1.00 0.00 C ATOM 680 CZ PHE A 41 66.398 -9.314 0.194 1.00 0.00 C ATOM 0 H PHE A 41 65.773 -9.753 5.244 1.00 0.00 H new ATOM 0 HA PHE A 41 68.052 -7.870 5.062 1.00 0.00 H new ATOM 0 HB2 PHE A 41 65.322 -7.020 4.168 1.00 0.00 H new ATOM 0 HB3 PHE A 41 66.884 -6.297 3.835 1.00 0.00 H new ATOM 0 HD1 PHE A 41 68.509 -8.294 2.624 1.00 0.00 H new ATOM 0 HD2 PHE A 41 64.306 -7.679 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 41 68.491 -9.616 0.544 1.00 0.00 H new ATOM 0 HE2 PHE A 41 64.327 -8.793 0.070 1.00 0.00 H new ATOM 0 HZ PHE A 41 66.391 -9.879 -0.726 1.00 0.00 H new ATOM 690 N PRO A 42 67.170 -7.700 7.545 1.00 0.00 N ATOM 691 CA PRO A 42 66.764 -7.172 8.847 1.00 0.00 C ATOM 692 C PRO A 42 66.887 -5.658 8.833 1.00 0.00 C ATOM 693 O PRO A 42 67.955 -5.140 8.534 1.00 0.00 O ATOM 694 CB PRO A 42 67.785 -7.744 9.831 1.00 0.00 C ATOM 695 CG PRO A 42 69.015 -8.062 8.975 1.00 0.00 C ATOM 696 CD PRO A 42 68.471 -8.363 7.577 1.00 0.00 C ATOM 0 HA PRO A 42 65.737 -7.434 9.103 1.00 0.00 H new ATOM 0 HB2 PRO A 42 68.024 -7.026 10.616 1.00 0.00 H new ATOM 0 HB3 PRO A 42 67.403 -8.639 10.323 1.00 0.00 H new ATOM 0 HG2 PRO A 42 69.707 -7.220 8.954 1.00 0.00 H new ATOM 0 HG3 PRO A 42 69.562 -8.915 9.376 1.00 0.00 H new ATOM 0 HD2 PRO A 42 69.133 -7.978 6.801 1.00 0.00 H new ATOM 0 HD3 PRO A 42 68.375 -9.436 7.410 1.00 0.00 H new ATOM 704 N VAL A 43 65.747 -4.989 9.148 1.00 0.00 N ATOM 705 CA VAL A 43 65.660 -3.525 9.161 1.00 0.00 C ATOM 706 C VAL A 43 66.893 -2.823 9.764 1.00 0.00 C ATOM 707 O VAL A 43 67.279 -1.729 9.382 1.00 0.00 O ATOM 708 CB VAL A 43 64.390 -3.039 9.884 1.00 0.00 C ATOM 709 CG1 VAL A 43 63.128 -3.638 9.269 1.00 0.00 C ATOM 710 CG2 VAL A 43 64.407 -3.302 11.388 1.00 0.00 C ATOM 0 H VAL A 43 64.875 -5.455 9.397 1.00 0.00 H new ATOM 0 HA VAL A 43 65.617 -3.244 8.109 1.00 0.00 H new ATOM 0 HB VAL A 43 64.379 -1.958 9.746 1.00 0.00 H new ATOM 0 HG11 VAL A 43 62.253 -3.272 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 43 63.060 -3.346 8.221 1.00 0.00 H new ATOM 0 HG13 VAL A 43 63.169 -4.725 9.340 1.00 0.00 H new ATOM 0 HG21 VAL A 43 63.482 -2.934 11.832 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.495 -4.373 11.569 1.00 0.00 H new ATOM 0 HG23 VAL A 43 65.256 -2.787 11.838 1.00 0.00 H new ATOM 720 N ALA A 44 67.487 -3.538 10.732 1.00 0.00 N ATOM 721 CA ALA A 44 68.679 -3.055 11.396 1.00 0.00 C ATOM 722 C ALA A 44 69.794 -2.721 10.384 1.00 0.00 C ATOM 723 O ALA A 44 70.212 -1.576 10.259 1.00 0.00 O ATOM 724 CB ALA A 44 69.119 -4.120 12.398 1.00 0.00 C ATOM 0 H ALA A 44 67.155 -4.444 11.061 1.00 0.00 H new ATOM 0 HA ALA A 44 68.465 -2.124 11.920 1.00 0.00 H new ATOM 0 HB1 ALA A 44 70.018 -3.784 12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 44 68.323 -4.287 13.124 1.00 0.00 H new ATOM 0 HB3 ALA A 44 69.331 -5.050 11.871 1.00 0.00 H new ATOM 730 N GLY A 45 70.220 -3.781 9.663 1.00 0.00 N ATOM 731 CA GLY A 45 71.272 -3.626 8.668 1.00 0.00 C ATOM 732 C GLY A 45 70.728 -3.487 7.244 1.00 0.00 C ATOM 733 O GLY A 45 71.454 -3.719 6.293 1.00 0.00 O ATOM 0 H GLY A 45 69.853 -4.728 9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 45 71.869 -2.747 8.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.939 -4.487 8.714 1.00 0.00 H new ATOM 737 N GLN A 46 69.440 -3.098 7.129 1.00 0.00 N ATOM 738 CA GLN A 46 68.837 -2.912 5.812 1.00 0.00 C ATOM 739 C GLN A 46 69.236 -1.551 5.246 1.00 0.00 C ATOM 740 O GLN A 46 68.432 -0.643 5.204 1.00 0.00 O ATOM 741 CB GLN A 46 67.314 -2.979 5.936 1.00 0.00 C ATOM 742 CG GLN A 46 66.729 -4.376 5.762 1.00 0.00 C ATOM 743 CD GLN A 46 65.639 -4.334 4.701 1.00 0.00 C ATOM 744 OE1 GLN A 46 65.896 -4.012 3.553 1.00 0.00 O ATOM 745 NE2 GLN A 46 64.427 -4.683 5.149 1.00 0.00 N ATOM 0 H GLN A 46 68.819 -2.913 7.917 1.00 0.00 H new ATOM 0 HA GLN A 46 69.188 -3.698 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 46 67.024 -2.596 6.915 1.00 0.00 H new ATOM 0 HB3 GLN A 46 66.872 -2.318 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 46 67.511 -5.077 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 46 66.319 -4.732 6.707 1.00 0.00 H new ATOM 0 HE21 GLN A 46 64.299 -4.939 6.128 1.00 0.00 H new ATOM 0 HE22 GLN A 46 63.631 -4.693 4.511 1.00 0.00 H new ATOM 754 N LYS A 47 70.496 -1.450 4.801 1.00 0.00 N ATOM 755 CA LYS A 47 70.974 -0.210 4.201 1.00 0.00 C ATOM 756 C LYS A 47 70.552 -0.196 2.739 1.00 0.00 C ATOM 757 O LYS A 47 70.279 -1.237 2.166 1.00 0.00 O ATOM 758 CB LYS A 47 72.499 -0.137 4.296 1.00 0.00 C ATOM 759 CG LYS A 47 73.010 -0.389 5.715 1.00 0.00 C ATOM 760 CD LYS A 47 72.820 0.833 6.614 1.00 0.00 C ATOM 761 CE LYS A 47 72.976 0.469 8.091 1.00 0.00 C ATOM 762 NZ LYS A 47 73.409 1.602 8.895 1.00 0.00 N ATOM 0 H LYS A 47 71.186 -2.200 4.846 1.00 0.00 H new ATOM 0 HA LYS A 47 70.551 0.646 4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 47 72.937 -0.871 3.620 1.00 0.00 H new ATOM 0 HB3 LYS A 47 72.834 0.845 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 47 72.484 -1.241 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 74.067 -0.653 5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 47 73.548 1.599 6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 47 71.832 1.260 6.445 1.00 0.00 H new ATOM 0 HE2 LYS A 47 72.026 0.096 8.474 1.00 0.00 H new ATOM 0 HE3 LYS A 47 73.699 -0.341 8.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 73.501 1.308 9.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 74.328 1.943 8.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 72.707 2.366 8.824 1.00 0.00 H new ATOM 776 N LEU A 48 70.471 1.031 2.194 1.00 0.00 N ATOM 777 CA LEU A 48 70.013 1.206 0.821 1.00 0.00 C ATOM 778 C LEU A 48 70.980 2.162 0.122 1.00 0.00 C ATOM 779 O LEU A 48 71.586 2.987 0.785 1.00 0.00 O ATOM 780 CB LEU A 48 68.581 1.742 0.833 1.00 0.00 C ATOM 781 CG LEU A 48 67.515 0.713 1.225 1.00 0.00 C ATOM 782 CD1 LEU A 48 67.385 0.641 2.748 1.00 0.00 C ATOM 783 CD2 LEU A 48 66.150 1.034 0.643 1.00 0.00 C ATOM 0 H LEU A 48 70.713 1.895 2.679 1.00 0.00 H new ATOM 0 HA LEU A 48 70.002 0.261 0.277 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.528 2.582 1.526 1.00 0.00 H new ATOM 0 HB3 LEU A 48 68.345 2.130 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 48 67.845 -0.243 0.818 1.00 0.00 H new ATOM 0 HD11 LEU A 48 66.625 -0.093 3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 48 68.341 0.347 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 48 67.097 1.618 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 48 65.434 0.273 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 48 65.821 2.009 1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 48 66.213 1.051 -0.445 1.00 0.00 H new ATOM 795 N ILE A 49 71.138 1.990 -1.222 1.00 0.00 N ATOM 796 CA ILE A 49 72.121 2.789 -1.970 1.00 0.00 C ATOM 797 C ILE A 49 71.497 3.472 -3.194 1.00 0.00 C ATOM 798 O ILE A 49 71.068 2.799 -4.123 1.00 0.00 O ATOM 799 CB ILE A 49 73.312 1.944 -2.488 1.00 0.00 C ATOM 800 CG1 ILE A 49 73.721 0.788 -1.570 1.00 0.00 C ATOM 801 CG2 ILE A 49 74.531 2.823 -2.814 1.00 0.00 C ATOM 802 CD1 ILE A 49 73.825 1.177 -0.106 1.00 0.00 C ATOM 0 H ILE A 49 70.609 1.323 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 49 72.474 3.530 -1.252 1.00 0.00 H new ATOM 0 HB ILE A 49 72.942 1.484 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 49 72.995 -0.019 -1.671 1.00 0.00 H new ATOM 0 HG13 ILE A 49 74.682 0.395 -1.901 1.00 0.00 H new ATOM 0 HG21 ILE A 49 75.346 2.195 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 49 74.262 3.546 -3.584 1.00 0.00 H new ATOM 0 HG23 ILE A 49 74.850 3.351 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 49 74.119 0.307 0.482 1.00 0.00 H new ATOM 0 HD12 ILE A 49 74.572 1.962 0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 49 72.859 1.541 0.243 1.00 0.00 H new ATOM 814 N TYR A 50 71.483 4.827 -3.151 1.00 0.00 N ATOM 815 CA TYR A 50 70.879 5.614 -4.224 1.00 0.00 C ATOM 816 C TYR A 50 71.927 6.560 -4.798 1.00 0.00 C ATOM 817 O TYR A 50 72.391 7.468 -4.125 1.00 0.00 O ATOM 818 CB TYR A 50 69.699 6.445 -3.694 1.00 0.00 C ATOM 819 CG TYR A 50 68.753 6.813 -4.811 1.00 0.00 C ATOM 820 CD1 TYR A 50 67.771 5.929 -5.254 1.00 0.00 C ATOM 821 CD2 TYR A 50 68.842 8.055 -5.425 1.00 0.00 C ATOM 822 CE1 TYR A 50 66.899 6.269 -6.271 1.00 0.00 C ATOM 823 CE2 TYR A 50 67.957 8.410 -6.437 1.00 0.00 C ATOM 824 CZ TYR A 50 66.981 7.518 -6.856 1.00 0.00 C ATOM 825 OH TYR A 50 66.074 7.874 -7.832 1.00 0.00 O ATOM 0 H TYR A 50 71.880 5.380 -2.391 1.00 0.00 H new ATOM 0 HA TYR A 50 70.514 4.933 -4.993 1.00 0.00 H new ATOM 0 HB2 TYR A 50 69.164 5.879 -2.931 1.00 0.00 H new ATOM 0 HB3 TYR A 50 70.073 7.350 -3.216 1.00 0.00 H new ATOM 0 HD1 TYR A 50 67.689 4.956 -4.792 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.606 8.752 -5.114 1.00 0.00 H new ATOM 0 HE1 TYR A 50 66.156 5.561 -6.607 1.00 0.00 H new ATOM 0 HE2 TYR A 50 68.030 9.384 -6.898 1.00 0.00 H new ATOM 0 HH TYR A 50 65.516 8.611 -7.507 1.00 0.00 H new ATOM 835 N ALA A 51 72.252 6.306 -6.083 1.00 0.00 N ATOM 836 CA ALA A 51 73.205 7.150 -6.797 1.00 0.00 C ATOM 837 C ALA A 51 74.636 6.981 -6.242 1.00 0.00 C ATOM 838 O ALA A 51 75.427 7.916 -6.226 1.00 0.00 O ATOM 839 CB ALA A 51 72.764 8.628 -6.767 1.00 0.00 C ATOM 0 H ALA A 51 71.871 5.535 -6.631 1.00 0.00 H new ATOM 0 HA ALA A 51 73.219 6.826 -7.838 1.00 0.00 H new ATOM 0 HB1 ALA A 51 73.491 9.236 -7.306 1.00 0.00 H new ATOM 0 HB2 ALA A 51 71.787 8.726 -7.241 1.00 0.00 H new ATOM 0 HB3 ALA A 51 72.702 8.968 -5.733 1.00 0.00 H new ATOM 845 N GLY A 52 74.903 5.743 -5.763 1.00 0.00 N ATOM 846 CA GLY A 52 76.200 5.450 -5.160 1.00 0.00 C ATOM 847 C GLY A 52 76.297 5.862 -3.674 1.00 0.00 C ATOM 848 O GLY A 52 77.250 5.504 -2.994 1.00 0.00 O ATOM 0 H GLY A 52 74.250 4.959 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 52 76.399 4.382 -5.246 1.00 0.00 H new ATOM 0 HA3 GLY A 52 76.978 5.965 -5.723 1.00 0.00 H new ATOM 852 N LYS A 53 75.276 6.622 -3.212 1.00 0.00 N ATOM 853 CA LYS A 53 75.221 7.094 -1.827 1.00 0.00 C ATOM 854 C LYS A 53 74.503 6.051 -0.969 1.00 0.00 C ATOM 855 O LYS A 53 73.873 5.169 -1.508 1.00 0.00 O ATOM 856 CB LYS A 53 74.426 8.409 -1.775 1.00 0.00 C ATOM 857 CG LYS A 53 75.294 9.646 -1.527 1.00 0.00 C ATOM 858 CD LYS A 53 75.428 10.531 -2.773 1.00 0.00 C ATOM 859 CE LYS A 53 76.858 10.554 -3.308 1.00 0.00 C ATOM 860 NZ LYS A 53 76.917 11.022 -4.685 1.00 0.00 N ATOM 0 H LYS A 53 74.485 6.916 -3.785 1.00 0.00 H new ATOM 0 HA LYS A 53 76.232 7.253 -1.453 1.00 0.00 H new ATOM 0 HB2 LYS A 53 73.889 8.536 -2.715 1.00 0.00 H new ATOM 0 HB3 LYS A 53 73.676 8.339 -0.987 1.00 0.00 H new ATOM 0 HG2 LYS A 53 74.863 10.231 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 53 76.285 9.331 -1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 53 74.756 10.167 -3.550 1.00 0.00 H new ATOM 0 HD3 LYS A 53 75.115 11.547 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 53 77.470 11.200 -2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 53 77.284 9.553 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 77.905 11.022 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 76.354 10.391 -5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 76.534 11.987 -4.740 1.00 0.00 H new ATOM 874 N ILE A 54 74.613 6.211 0.370 1.00 0.00 N ATOM 875 CA ILE A 54 73.985 5.288 1.328 1.00 0.00 C ATOM 876 C ILE A 54 72.893 6.036 2.092 1.00 0.00 C ATOM 877 O ILE A 54 72.967 7.237 2.261 1.00 0.00 O ATOM 878 CB ILE A 54 75.050 4.741 2.312 1.00 0.00 C ATOM 879 CG1 ILE A 54 75.449 3.304 1.944 1.00 0.00 C ATOM 880 CG2 ILE A 54 74.667 4.830 3.810 1.00 0.00 C ATOM 881 CD1 ILE A 54 74.507 2.255 2.557 1.00 0.00 C ATOM 0 H ILE A 54 75.132 6.973 0.806 1.00 0.00 H new ATOM 0 HA ILE A 54 73.544 4.446 0.795 1.00 0.00 H new ATOM 0 HB ILE A 54 75.905 5.406 2.194 1.00 0.00 H new ATOM 0 HG12 ILE A 54 75.449 3.197 0.859 1.00 0.00 H new ATOM 0 HG13 ILE A 54 76.467 3.115 2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 54 75.476 4.423 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 54 74.499 5.872 4.081 1.00 0.00 H new ATOM 0 HG23 ILE A 54 73.756 4.258 3.987 1.00 0.00 H new ATOM 0 HD11 ILE A 54 74.835 1.257 2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 54 74.526 2.340 3.644 1.00 0.00 H new ATOM 0 HD13 ILE A 54 73.492 2.423 2.197 1.00 0.00 H new ATOM 893 N LEU A 55 71.921 5.230 2.577 1.00 0.00 N ATOM 894 CA LEU A 55 70.778 5.730 3.325 1.00 0.00 C ATOM 895 C LEU A 55 70.397 4.699 4.405 1.00 0.00 C ATOM 896 O LEU A 55 70.352 3.500 4.164 1.00 0.00 O ATOM 897 CB LEU A 55 69.588 5.986 2.382 1.00 0.00 C ATOM 898 CG LEU A 55 69.438 4.989 1.233 1.00 0.00 C ATOM 899 CD1 LEU A 55 67.972 4.885 0.829 1.00 0.00 C ATOM 900 CD2 LEU A 55 70.265 5.355 -0.015 1.00 0.00 C ATOM 0 H LEU A 55 71.920 4.218 2.453 1.00 0.00 H new ATOM 0 HA LEU A 55 71.040 6.675 3.800 1.00 0.00 H new ATOM 0 HB2 LEU A 55 68.671 5.977 2.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 69.687 6.987 1.962 1.00 0.00 H new ATOM 0 HG LEU A 55 69.817 4.038 1.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 67.870 4.173 0.010 1.00 0.00 H new ATOM 0 HD12 LEU A 55 67.383 4.545 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 55 67.613 5.863 0.507 1.00 0.00 H new ATOM 0 HD21 LEU A 55 70.109 4.603 -0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 55 69.950 6.330 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 55 71.322 5.392 0.247 1.00 0.00 H new ATOM 912 N SER A 56 70.128 5.266 5.604 1.00 0.00 N ATOM 913 CA SER A 56 69.726 4.500 6.784 1.00 0.00 C ATOM 914 C SER A 56 68.251 4.794 7.102 1.00 0.00 C ATOM 915 O SER A 56 67.608 5.633 6.495 1.00 0.00 O ATOM 916 CB SER A 56 70.663 4.871 7.951 1.00 0.00 C ATOM 917 OG SER A 56 70.217 4.448 9.216 1.00 0.00 O ATOM 0 H SER A 56 70.187 6.271 5.770 1.00 0.00 H new ATOM 0 HA SER A 56 69.812 3.428 6.608 1.00 0.00 H new ATOM 0 HB2 SER A 56 71.645 4.438 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 56 70.790 5.953 7.968 1.00 0.00 H new ATOM 0 HG SER A 56 70.865 4.720 9.899 1.00 0.00 H new ATOM 923 N ASP A 57 67.762 4.042 8.101 1.00 0.00 N ATOM 924 CA ASP A 57 66.386 4.141 8.576 1.00 0.00 C ATOM 925 C ASP A 57 66.017 5.511 9.166 1.00 0.00 C ATOM 926 O ASP A 57 64.850 5.810 9.358 1.00 0.00 O ATOM 927 CB ASP A 57 66.149 3.062 9.647 1.00 0.00 C ATOM 928 CG ASP A 57 66.981 3.172 10.938 1.00 0.00 C ATOM 929 OD1 ASP A 57 67.932 3.948 10.995 1.00 0.00 O ATOM 930 OD2 ASP A 57 66.661 2.458 11.886 1.00 0.00 O ATOM 0 H ASP A 57 68.318 3.347 8.600 1.00 0.00 H new ATOM 0 HA ASP A 57 65.750 3.999 7.702 1.00 0.00 H new ATOM 0 HB2 ASP A 57 65.094 3.080 9.920 1.00 0.00 H new ATOM 0 HB3 ASP A 57 66.345 2.088 9.198 1.00 0.00 H new ATOM 935 N ASP A 58 67.043 6.321 9.466 1.00 0.00 N ATOM 936 CA ASP A 58 66.765 7.630 10.043 1.00 0.00 C ATOM 937 C ASP A 58 66.755 8.723 8.960 1.00 0.00 C ATOM 938 O ASP A 58 66.331 9.841 9.224 1.00 0.00 O ATOM 939 CB ASP A 58 67.806 7.906 11.135 1.00 0.00 C ATOM 940 CG ASP A 58 67.657 9.322 11.729 1.00 0.00 C ATOM 941 OD1 ASP A 58 66.735 9.540 12.514 1.00 0.00 O ATOM 942 OD2 ASP A 58 68.454 10.192 11.380 1.00 0.00 O ATOM 0 H ASP A 58 68.029 6.101 9.324 1.00 0.00 H new ATOM 0 HA ASP A 58 65.771 7.639 10.490 1.00 0.00 H new ATOM 0 HB2 ASP A 58 67.703 7.167 11.929 1.00 0.00 H new ATOM 0 HB3 ASP A 58 68.807 7.790 10.719 1.00 0.00 H new ATOM 947 N VAL A 59 67.246 8.369 7.751 1.00 0.00 N ATOM 948 CA VAL A 59 67.372 9.380 6.702 1.00 0.00 C ATOM 949 C VAL A 59 66.068 9.421 5.882 1.00 0.00 C ATOM 950 O VAL A 59 65.411 8.414 5.757 1.00 0.00 O ATOM 951 CB VAL A 59 68.568 9.075 5.781 1.00 0.00 C ATOM 952 CG1 VAL A 59 69.758 8.509 6.560 1.00 0.00 C ATOM 953 CG2 VAL A 59 68.224 8.133 4.624 1.00 0.00 C ATOM 0 H VAL A 59 67.547 7.429 7.493 1.00 0.00 H new ATOM 0 HA VAL A 59 67.547 10.350 7.166 1.00 0.00 H new ATOM 0 HB VAL A 59 68.842 10.038 5.351 1.00 0.00 H new ATOM 0 HG11 VAL A 59 70.580 8.308 5.873 1.00 0.00 H new ATOM 0 HG12 VAL A 59 70.080 9.233 7.309 1.00 0.00 H new ATOM 0 HG13 VAL A 59 69.463 7.583 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 59 69.113 7.963 4.017 1.00 0.00 H new ATOM 0 HG22 VAL A 59 67.869 7.183 5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 59 67.445 8.582 4.008 1.00 0.00 H new ATOM 963 N PRO A 60 65.725 10.589 5.285 1.00 0.00 N ATOM 964 CA PRO A 60 64.515 10.718 4.470 1.00 0.00 C ATOM 965 C PRO A 60 64.718 10.136 3.063 1.00 0.00 C ATOM 966 O PRO A 60 65.755 10.327 2.453 1.00 0.00 O ATOM 967 CB PRO A 60 64.242 12.226 4.428 1.00 0.00 C ATOM 968 CG PRO A 60 65.408 12.892 5.174 1.00 0.00 C ATOM 969 CD PRO A 60 66.483 11.825 5.349 1.00 0.00 C ATOM 0 HA PRO A 60 63.675 10.162 4.886 1.00 0.00 H new ATOM 0 HB2 PRO A 60 64.183 12.583 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 60 63.290 12.463 4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 60 65.794 13.741 4.610 1.00 0.00 H new ATOM 0 HG3 PRO A 60 65.081 13.274 6.141 1.00 0.00 H new ATOM 0 HD2 PRO A 60 67.237 11.878 4.563 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.006 11.930 6.300 1.00 0.00 H new ATOM 977 N ILE A 61 63.693 9.412 2.575 1.00 0.00 N ATOM 978 CA ILE A 61 63.740 8.903 1.201 1.00 0.00 C ATOM 979 C ILE A 61 63.842 10.061 0.189 1.00 0.00 C ATOM 980 O ILE A 61 64.478 9.957 -0.849 1.00 0.00 O ATOM 981 CB ILE A 61 62.474 8.078 0.934 1.00 0.00 C ATOM 982 CG1 ILE A 61 62.393 6.886 1.892 1.00 0.00 C ATOM 983 CG2 ILE A 61 62.338 7.622 -0.530 1.00 0.00 C ATOM 984 CD1 ILE A 61 63.149 5.640 1.404 1.00 0.00 C ATOM 0 H ILE A 61 62.849 9.174 3.096 1.00 0.00 H new ATOM 0 HA ILE A 61 64.624 8.276 1.082 1.00 0.00 H new ATOM 0 HB ILE A 61 61.629 8.741 1.121 1.00 0.00 H new ATOM 0 HG12 ILE A 61 62.792 7.184 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 61 61.345 6.626 2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 61 61.421 7.044 -0.647 1.00 0.00 H new ATOM 0 HG22 ILE A 61 62.302 8.495 -1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 61 63.194 7.003 -0.799 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.044 4.840 2.137 1.00 0.00 H new ATOM 0 HD12 ILE A 61 62.736 5.314 0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.205 5.881 1.279 1.00 0.00 H new ATOM 996 N ARG A 62 63.189 11.176 0.559 1.00 0.00 N ATOM 997 CA ARG A 62 63.211 12.351 -0.299 1.00 0.00 C ATOM 998 C ARG A 62 64.637 12.918 -0.412 1.00 0.00 C ATOM 999 O ARG A 62 65.006 13.485 -1.434 1.00 0.00 O ATOM 1000 CB ARG A 62 62.197 13.387 0.224 1.00 0.00 C ATOM 1001 CG ARG A 62 62.637 14.854 0.062 1.00 0.00 C ATOM 1002 CD ARG A 62 61.481 15.814 -0.189 1.00 0.00 C ATOM 1003 NE ARG A 62 60.720 16.058 1.024 1.00 0.00 N ATOM 1004 CZ ARG A 62 61.182 16.877 1.995 1.00 0.00 C ATOM 1005 NH1 ARG A 62 62.371 17.470 1.897 1.00 0.00 N ATOM 1006 NH2 ARG A 62 60.430 17.095 3.067 1.00 0.00 N ATOM 0 H ARG A 62 62.657 11.279 1.423 1.00 0.00 H new ATOM 0 HA ARG A 62 62.911 12.075 -1.310 1.00 0.00 H new ATOM 0 HB2 ARG A 62 61.251 13.246 -0.298 1.00 0.00 H new ATOM 0 HB3 ARG A 62 62.010 13.192 1.280 1.00 0.00 H new ATOM 0 HG2 ARG A 62 63.169 15.166 0.961 1.00 0.00 H new ATOM 0 HG3 ARG A 62 63.342 14.924 -0.766 1.00 0.00 H new ATOM 0 HD2 ARG A 62 61.867 16.758 -0.574 1.00 0.00 H new ATOM 0 HD3 ARG A 62 60.824 15.402 -0.955 1.00 0.00 H new ATOM 0 HE ARG A 62 59.816 15.601 1.146 1.00 0.00 H new ATOM 0 HH11 ARG A 62 62.955 17.310 1.076 1.00 0.00 H new ATOM 0 HH12 ARG A 62 62.698 18.084 2.643 1.00 0.00 H new ATOM 0 HH21 ARG A 62 59.517 16.647 3.149 1.00 0.00 H new ATOM 0 HH22 ARG A 62 60.765 17.710 3.808 1.00 0.00 H new ATOM 1020 N ASP A 63 65.408 12.729 0.681 1.00 0.00 N ATOM 1021 CA ASP A 63 66.789 13.206 0.699 1.00 0.00 C ATOM 1022 C ASP A 63 67.636 12.535 -0.398 1.00 0.00 C ATOM 1023 O ASP A 63 68.627 13.090 -0.856 1.00 0.00 O ATOM 1024 CB ASP A 63 67.401 12.954 2.085 1.00 0.00 C ATOM 1025 CG ASP A 63 68.881 13.371 2.180 1.00 0.00 C ATOM 1026 OD1 ASP A 63 69.158 14.567 2.193 1.00 0.00 O ATOM 1027 OD2 ASP A 63 69.742 12.496 2.232 1.00 0.00 O ATOM 0 H ASP A 63 65.101 12.262 1.534 1.00 0.00 H new ATOM 0 HA ASP A 63 66.785 14.276 0.494 1.00 0.00 H new ATOM 0 HB2 ASP A 63 66.827 13.501 2.833 1.00 0.00 H new ATOM 0 HB3 ASP A 63 67.312 11.895 2.327 1.00 0.00 H new ATOM 1032 N TYR A 64 67.181 11.325 -0.781 1.00 0.00 N ATOM 1033 CA TYR A 64 67.869 10.554 -1.801 1.00 0.00 C ATOM 1034 C TYR A 64 67.013 10.442 -3.048 1.00 0.00 C ATOM 1035 O TYR A 64 67.213 9.513 -3.808 1.00 0.00 O ATOM 1036 CB TYR A 64 68.159 9.137 -1.288 1.00 0.00 C ATOM 1037 CG TYR A 64 69.136 9.176 -0.160 1.00 0.00 C ATOM 1038 CD1 TYR A 64 68.699 9.481 1.119 1.00 0.00 C ATOM 1039 CD2 TYR A 64 70.486 8.934 -0.379 1.00 0.00 C ATOM 1040 CE1 TYR A 64 69.597 9.579 2.163 1.00 0.00 C ATOM 1041 CE2 TYR A 64 71.379 9.005 0.678 1.00 0.00 C ATOM 1042 CZ TYR A 64 70.938 9.333 1.950 1.00 0.00 C ATOM 1043 OH TYR A 64 71.821 9.409 3.007 1.00 0.00 O ATOM 0 H TYR A 64 66.349 10.877 -0.397 1.00 0.00 H new ATOM 0 HA TYR A 64 68.802 11.066 -2.037 1.00 0.00 H new ATOM 0 HB2 TYR A 64 67.233 8.667 -0.958 1.00 0.00 H new ATOM 0 HB3 TYR A 64 68.555 8.525 -2.098 1.00 0.00 H new ATOM 0 HD1 TYR A 64 67.647 9.643 1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 64 70.839 8.691 -1.370 1.00 0.00 H new ATOM 0 HE1 TYR A 64 69.249 9.849 3.149 1.00 0.00 H new ATOM 0 HE2 TYR A 64 72.426 8.803 0.509 1.00 0.00 H new ATOM 0 HH TYR A 64 72.279 8.549 3.113 1.00 0.00 H new ATOM 1053 N ARG A 65 66.064 11.391 -3.237 1.00 0.00 N ATOM 1054 CA ARG A 65 65.195 11.438 -4.420 1.00 0.00 C ATOM 1055 C ARG A 65 64.850 10.048 -4.993 1.00 0.00 C ATOM 1056 O ARG A 65 65.007 9.805 -6.180 1.00 0.00 O ATOM 1057 CB ARG A 65 65.815 12.331 -5.513 1.00 0.00 C ATOM 1058 CG ARG A 65 67.287 12.030 -5.850 1.00 0.00 C ATOM 1059 CD ARG A 65 68.240 13.098 -5.290 1.00 0.00 C ATOM 1060 NE ARG A 65 69.525 13.087 -5.978 1.00 0.00 N ATOM 1061 CZ ARG A 65 69.644 13.469 -7.272 1.00 0.00 C ATOM 1062 NH1 ARG A 65 68.582 13.847 -7.983 1.00 0.00 N ATOM 1063 NH2 ARG A 65 70.840 13.465 -7.847 1.00 0.00 N ATOM 0 H ARG A 65 65.886 12.141 -2.569 1.00 0.00 H new ATOM 0 HA ARG A 65 64.253 11.871 -4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 65 65.223 12.229 -6.422 1.00 0.00 H new ATOM 0 HB3 ARG A 65 65.737 13.371 -5.197 1.00 0.00 H new ATOM 0 HG2 ARG A 65 67.559 11.055 -5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 65 67.406 11.971 -6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 65 67.782 14.082 -5.389 1.00 0.00 H new ATOM 0 HD3 ARG A 65 68.396 12.925 -4.225 1.00 0.00 H new ATOM 0 HE ARG A 65 70.357 12.784 -5.471 1.00 0.00 H new ATOM 0 HH11 ARG A 65 67.657 13.852 -7.554 1.00 0.00 H new ATOM 0 HH12 ARG A 65 68.695 14.131 -8.956 1.00 0.00 H new ATOM 0 HH21 ARG A 65 71.661 13.176 -7.315 1.00 0.00 H new ATOM 0 HH22 ARG A 65 70.939 13.751 -8.821 1.00 0.00 H new ATOM 1077 N ILE A 66 64.415 9.149 -4.078 1.00 0.00 N ATOM 1078 CA ILE A 66 64.171 7.767 -4.486 1.00 0.00 C ATOM 1079 C ILE A 66 62.798 7.677 -5.149 1.00 0.00 C ATOM 1080 O ILE A 66 61.769 7.598 -4.489 1.00 0.00 O ATOM 1081 CB ILE A 66 64.285 6.772 -3.318 1.00 0.00 C ATOM 1082 CG1 ILE A 66 65.383 7.201 -2.340 1.00 0.00 C ATOM 1083 CG2 ILE A 66 64.470 5.326 -3.805 1.00 0.00 C ATOM 1084 CD1 ILE A 66 65.867 6.132 -1.380 1.00 0.00 C ATOM 0 H ILE A 66 64.235 9.354 -3.095 1.00 0.00 H new ATOM 0 HA ILE A 66 64.946 7.484 -5.198 1.00 0.00 H new ATOM 0 HB ILE A 66 63.339 6.789 -2.776 1.00 0.00 H new ATOM 0 HG12 ILE A 66 66.237 7.559 -2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 66 65.015 8.046 -1.758 1.00 0.00 H new ATOM 0 HG21 ILE A 66 64.546 4.660 -2.946 1.00 0.00 H new ATOM 0 HG22 ILE A 66 63.615 5.035 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 66 65.381 5.256 -4.400 1.00 0.00 H new ATOM 0 HD11 ILE A 66 66.643 6.546 -0.736 1.00 0.00 H new ATOM 0 HD12 ILE A 66 65.033 5.787 -0.769 1.00 0.00 H new ATOM 0 HD13 ILE A 66 66.274 5.293 -1.945 1.00 0.00 H new ATOM 1096 N ASP A 67 62.868 7.700 -6.493 1.00 0.00 N ATOM 1097 CA ASP A 67 61.669 7.634 -7.316 1.00 0.00 C ATOM 1098 C ASP A 67 61.498 6.200 -7.827 1.00 0.00 C ATOM 1099 O ASP A 67 62.446 5.429 -7.919 1.00 0.00 O ATOM 1100 CB ASP A 67 61.707 8.667 -8.464 1.00 0.00 C ATOM 1101 CG ASP A 67 63.118 8.983 -8.993 1.00 0.00 C ATOM 1102 OD1 ASP A 67 63.576 8.296 -9.900 1.00 0.00 O ATOM 1103 OD2 ASP A 67 63.734 9.928 -8.504 1.00 0.00 O ATOM 0 H ASP A 67 63.740 7.763 -7.019 1.00 0.00 H new ATOM 0 HA ASP A 67 60.800 7.896 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 67 61.098 8.297 -9.289 1.00 0.00 H new ATOM 0 HB3 ASP A 67 61.247 9.593 -8.118 1.00 0.00 H new ATOM 1108 N GLU A 68 60.214 5.912 -8.142 1.00 0.00 N ATOM 1109 CA GLU A 68 59.827 4.610 -8.678 1.00 0.00 C ATOM 1110 C GLU A 68 60.522 4.333 -10.020 1.00 0.00 C ATOM 1111 O GLU A 68 60.945 3.215 -10.283 1.00 0.00 O ATOM 1112 CB GLU A 68 58.306 4.556 -8.880 1.00 0.00 C ATOM 1113 CG GLU A 68 57.819 3.240 -9.547 1.00 0.00 C ATOM 1114 CD GLU A 68 56.881 3.452 -10.751 1.00 0.00 C ATOM 1115 OE1 GLU A 68 57.000 4.463 -11.444 1.00 0.00 O ATOM 1116 OE2 GLU A 68 56.040 2.586 -10.991 1.00 0.00 O ATOM 0 H GLU A 68 59.441 6.568 -8.031 1.00 0.00 H new ATOM 0 HA GLU A 68 60.134 3.849 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 68 57.814 4.669 -7.914 1.00 0.00 H new ATOM 0 HB3 GLU A 68 57.998 5.402 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 68 58.688 2.668 -9.874 1.00 0.00 H new ATOM 0 HG3 GLU A 68 57.303 2.637 -8.800 1.00 0.00 H new ATOM 1123 N LYS A 69 60.620 5.409 -10.838 1.00 0.00 N ATOM 1124 CA LYS A 69 61.309 5.331 -12.128 1.00 0.00 C ATOM 1125 C LYS A 69 62.719 4.726 -12.002 1.00 0.00 C ATOM 1126 O LYS A 69 63.210 4.076 -12.917 1.00 0.00 O ATOM 1127 CB LYS A 69 61.394 6.732 -12.774 1.00 0.00 C ATOM 1128 CG LYS A 69 60.390 6.909 -13.918 1.00 0.00 C ATOM 1129 CD LYS A 69 58.931 6.919 -13.440 1.00 0.00 C ATOM 1130 CE LYS A 69 57.965 6.509 -14.553 1.00 0.00 C ATOM 1131 NZ LYS A 69 57.782 7.551 -15.554 1.00 0.00 N ATOM 0 H LYS A 69 60.232 6.327 -10.622 1.00 0.00 H new ATOM 0 HA LYS A 69 60.724 4.668 -12.765 1.00 0.00 H new ATOM 0 HB2 LYS A 69 61.212 7.491 -12.014 1.00 0.00 H new ATOM 0 HB3 LYS A 69 62.404 6.894 -13.152 1.00 0.00 H new ATOM 0 HG2 LYS A 69 60.602 7.843 -14.439 1.00 0.00 H new ATOM 0 HG3 LYS A 69 60.524 6.103 -14.640 1.00 0.00 H new ATOM 0 HD2 LYS A 69 58.821 6.240 -12.595 1.00 0.00 H new ATOM 0 HD3 LYS A 69 58.672 7.916 -13.083 1.00 0.00 H new ATOM 0 HE2 LYS A 69 58.339 5.607 -15.038 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.999 6.258 -14.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 57.119 7.219 -16.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 57.399 8.405 -15.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 58.697 7.774 -15.995 1.00 0.00 H new ATOM 1145 N ASN A 70 63.313 4.975 -10.813 1.00 0.00 N ATOM 1146 CA ASN A 70 64.617 4.424 -10.483 1.00 0.00 C ATOM 1147 C ASN A 70 64.419 3.262 -9.507 1.00 0.00 C ATOM 1148 O ASN A 70 63.372 2.632 -9.484 1.00 0.00 O ATOM 1149 CB ASN A 70 65.489 5.540 -9.879 1.00 0.00 C ATOM 1150 CG ASN A 70 66.979 5.435 -10.260 1.00 0.00 C ATOM 1151 OD1 ASN A 70 67.402 4.199 -10.598 1.00 0.00 O flip ATOM 1152 ND2 ASN A 70 67.692 6.430 -10.267 1.00 0.00 N flip ATOM 0 H ASN A 70 62.901 5.552 -10.080 1.00 0.00 H new ATOM 0 HA ASN A 70 65.125 4.044 -11.369 1.00 0.00 H new ATOM 0 HB2 ASN A 70 65.106 6.506 -10.207 1.00 0.00 H new ATOM 0 HB3 ASN A 70 65.398 5.513 -8.793 1.00 0.00 H new ATOM 0 HD21 ASN A 70 67.306 7.336 -9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 70 68.672 6.353 -10.541 1.00 0.00 H new ATOM 1159 N PHE A 71 65.489 3.025 -8.715 1.00 0.00 N ATOM 1160 CA PHE A 71 65.508 1.958 -7.744 1.00 0.00 C ATOM 1161 C PHE A 71 66.827 2.039 -6.955 1.00 0.00 C ATOM 1162 O PHE A 71 67.887 2.285 -7.518 1.00 0.00 O ATOM 1163 CB PHE A 71 65.276 0.581 -8.424 1.00 0.00 C ATOM 1164 CG PHE A 71 66.499 -0.151 -8.885 1.00 0.00 C ATOM 1165 CD1 PHE A 71 67.363 -0.688 -7.947 1.00 0.00 C ATOM 1166 CD2 PHE A 71 66.782 -0.305 -10.235 1.00 0.00 C ATOM 1167 CE1 PHE A 71 68.543 -1.291 -8.329 1.00 0.00 C ATOM 1168 CE2 PHE A 71 67.939 -0.963 -10.628 1.00 0.00 C ATOM 1169 CZ PHE A 71 68.831 -1.431 -9.672 1.00 0.00 C ATOM 0 H PHE A 71 66.347 3.575 -8.746 1.00 0.00 H new ATOM 0 HA PHE A 71 64.686 2.070 -7.036 1.00 0.00 H new ATOM 0 HB2 PHE A 71 64.739 -0.059 -7.724 1.00 0.00 H new ATOM 0 HB3 PHE A 71 64.623 0.731 -9.284 1.00 0.00 H new ATOM 0 HD1 PHE A 71 67.109 -0.634 -6.899 1.00 0.00 H new ATOM 0 HD2 PHE A 71 66.103 0.086 -10.978 1.00 0.00 H new ATOM 0 HE1 PHE A 71 69.236 -1.651 -7.583 1.00 0.00 H new ATOM 0 HE2 PHE A 71 68.146 -1.111 -11.678 1.00 0.00 H new ATOM 0 HZ PHE A 71 69.751 -1.905 -9.980 1.00 0.00 H new ATOM 1179 N VAL A 72 66.699 1.784 -5.636 1.00 0.00 N ATOM 1180 CA VAL A 72 67.858 1.730 -4.750 1.00 0.00 C ATOM 1181 C VAL A 72 68.292 0.284 -4.512 1.00 0.00 C ATOM 1182 O VAL A 72 67.540 -0.653 -4.714 1.00 0.00 O ATOM 1183 CB VAL A 72 67.463 2.413 -3.431 1.00 0.00 C ATOM 1184 CG1 VAL A 72 67.342 1.482 -2.238 1.00 0.00 C ATOM 1185 CG2 VAL A 72 68.452 3.478 -3.020 1.00 0.00 C ATOM 0 H VAL A 72 65.806 1.615 -5.173 1.00 0.00 H new ATOM 0 HA VAL A 72 68.707 2.244 -5.200 1.00 0.00 H new ATOM 0 HB VAL A 72 66.483 2.828 -3.666 1.00 0.00 H new ATOM 0 HG11 VAL A 72 67.060 2.056 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 72 66.580 0.729 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 72 68.299 0.991 -2.061 1.00 0.00 H new ATOM 0 HG21 VAL A 72 68.130 3.932 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 72 69.436 3.029 -2.886 1.00 0.00 H new ATOM 0 HG23 VAL A 72 68.505 4.244 -3.794 1.00 0.00 H new ATOM 1195 N VAL A 73 69.533 0.162 -4.011 1.00 0.00 N ATOM 1196 CA VAL A 73 70.045 -1.167 -3.733 1.00 0.00 C ATOM 1197 C VAL A 73 70.068 -1.426 -2.215 1.00 0.00 C ATOM 1198 O VAL A 73 70.847 -0.827 -1.494 1.00 0.00 O ATOM 1199 CB VAL A 73 71.455 -1.296 -4.312 1.00 0.00 C ATOM 1200 CG1 VAL A 73 71.963 -2.725 -4.142 1.00 0.00 C ATOM 1201 CG2 VAL A 73 71.554 -0.853 -5.786 1.00 0.00 C ATOM 0 H VAL A 73 70.166 0.934 -3.802 1.00 0.00 H new ATOM 0 HA VAL A 73 69.393 -1.907 -4.197 1.00 0.00 H new ATOM 0 HB VAL A 73 72.090 -0.612 -3.748 1.00 0.00 H new ATOM 0 HG11 VAL A 73 72.967 -2.806 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 73 71.987 -2.979 -3.082 1.00 0.00 H new ATOM 0 HG13 VAL A 73 71.298 -3.412 -4.665 1.00 0.00 H new ATOM 0 HG21 VAL A 73 72.581 -0.970 -6.133 1.00 0.00 H new ATOM 0 HG22 VAL A 73 70.892 -1.468 -6.396 1.00 0.00 H new ATOM 0 HG23 VAL A 73 71.259 0.193 -5.872 1.00 0.00 H new ATOM 1211 N VAL A 74 69.215 -2.379 -1.786 1.00 0.00 N ATOM 1212 CA VAL A 74 69.194 -2.798 -0.386 1.00 0.00 C ATOM 1213 C VAL A 74 70.415 -3.697 -0.067 1.00 0.00 C ATOM 1214 O VAL A 74 70.386 -4.907 -0.255 1.00 0.00 O ATOM 1215 CB VAL A 74 67.873 -3.527 -0.069 1.00 0.00 C ATOM 1216 CG1 VAL A 74 67.461 -4.490 -1.187 1.00 0.00 C ATOM 1217 CG2 VAL A 74 67.910 -4.270 1.277 1.00 0.00 C ATOM 0 H VAL A 74 68.545 -2.861 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 74 69.257 -1.912 0.246 1.00 0.00 H new ATOM 0 HB VAL A 74 67.121 -2.742 0.005 1.00 0.00 H new ATOM 0 HG11 VAL A 74 66.525 -4.980 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 74 67.326 -3.934 -2.115 1.00 0.00 H new ATOM 0 HG13 VAL A 74 68.238 -5.242 -1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 74 66.953 -4.764 1.446 1.00 0.00 H new ATOM 0 HG22 VAL A 74 68.705 -5.015 1.259 1.00 0.00 H new ATOM 0 HG23 VAL A 74 68.098 -3.558 2.081 1.00 0.00 H new ATOM 1227 N MET A 75 71.465 -3.031 0.456 1.00 0.00 N ATOM 1228 CA MET A 75 72.653 -3.731 0.933 1.00 0.00 C ATOM 1229 C MET A 75 72.570 -3.921 2.456 1.00 0.00 C ATOM 1230 O MET A 75 72.177 -3.023 3.183 1.00 0.00 O ATOM 1231 CB MET A 75 73.891 -2.916 0.542 1.00 0.00 C ATOM 1232 CG MET A 75 75.188 -3.489 1.127 1.00 0.00 C ATOM 1233 SD MET A 75 76.599 -3.167 0.057 1.00 0.00 S ATOM 1234 CE MET A 75 77.925 -3.479 1.235 1.00 0.00 C ATOM 0 H MET A 75 71.505 -2.017 0.554 1.00 0.00 H new ATOM 0 HA MET A 75 72.720 -4.719 0.478 1.00 0.00 H new ATOM 0 HB2 MET A 75 73.971 -2.884 -0.545 1.00 0.00 H new ATOM 0 HB3 MET A 75 73.767 -1.888 0.883 1.00 0.00 H new ATOM 0 HG2 MET A 75 75.369 -3.052 2.109 1.00 0.00 H new ATOM 0 HG3 MET A 75 75.079 -4.564 1.272 1.00 0.00 H new ATOM 0 HE1 MET A 75 78.888 -3.328 0.747 1.00 0.00 H new ATOM 0 HE2 MET A 75 77.833 -2.793 2.077 1.00 0.00 H new ATOM 0 HE3 MET A 75 77.858 -4.506 1.595 1.00 0.00 H new ATOM 1244 N VAL A 76 72.971 -5.142 2.886 1.00 0.00 N ATOM 1245 CA VAL A 76 73.009 -5.472 4.310 1.00 0.00 C ATOM 1246 C VAL A 76 74.339 -6.162 4.644 1.00 0.00 C ATOM 1247 O VAL A 76 74.752 -7.106 3.983 1.00 0.00 O ATOM 1248 CB VAL A 76 71.815 -6.377 4.700 1.00 0.00 C ATOM 1249 CG1 VAL A 76 71.756 -6.649 6.220 1.00 0.00 C ATOM 1250 CG2 VAL A 76 70.480 -5.818 4.178 1.00 0.00 C ATOM 0 H VAL A 76 73.267 -5.897 2.268 1.00 0.00 H new ATOM 0 HA VAL A 76 72.930 -4.550 4.885 1.00 0.00 H new ATOM 0 HB VAL A 76 71.982 -7.337 4.212 1.00 0.00 H new ATOM 0 HG11 VAL A 76 70.901 -7.288 6.442 1.00 0.00 H new ATOM 0 HG12 VAL A 76 72.673 -7.146 6.537 1.00 0.00 H new ATOM 0 HG13 VAL A 76 71.652 -5.705 6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 76 69.667 -6.482 4.473 1.00 0.00 H new ATOM 0 HG22 VAL A 76 70.310 -4.827 4.600 1.00 0.00 H new ATOM 0 HG23 VAL A 76 70.515 -5.748 3.091 1.00 0.00 H new