USER MOD reduce.3.24.130724 H: found=0, std=0, add=448, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 451 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=-0.0078) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.00646 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 18:sc= 0.287 USER MOD Single : A 44 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.2) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 137:sc= -0.118 (180deg=-1.03) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 113 N ALA A 12 17.122 93.166 43.408 1.00 0.00 N ATOM 114 CA ALA A 12 17.161 92.885 44.850 1.00 0.00 C ATOM 115 C ALA A 12 18.111 91.742 45.286 1.00 0.00 C ATOM 116 O ALA A 12 18.230 91.459 46.479 1.00 0.00 O ATOM 117 CB ALA A 12 15.725 92.634 45.321 1.00 0.00 C ATOM 0 HA ALA A 12 17.593 93.761 45.334 1.00 0.00 H new ATOM 0 HB1 ALA A 12 15.725 92.422 46.390 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.118 93.518 45.126 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.309 91.782 44.782 1.00 0.00 H new ATOM 123 N MET A 13 18.820 91.098 44.353 1.00 0.00 N ATOM 124 CA MET A 13 19.966 90.233 44.661 1.00 0.00 C ATOM 125 C MET A 13 21.289 91.003 44.836 1.00 0.00 C ATOM 126 O MET A 13 22.305 90.367 45.064 1.00 0.00 O ATOM 127 CB MET A 13 20.083 89.075 43.654 1.00 0.00 C ATOM 128 CG MET A 13 18.920 88.083 43.797 1.00 0.00 C ATOM 129 SD MET A 13 19.294 86.398 43.236 1.00 0.00 S ATOM 130 CE MET A 13 19.404 86.650 41.441 1.00 0.00 C ATOM 0 H MET A 13 18.614 91.162 43.356 1.00 0.00 H new ATOM 0 HA MET A 13 19.765 89.795 45.639 1.00 0.00 H new ATOM 0 HB2 MET A 13 20.099 89.474 42.640 1.00 0.00 H new ATOM 0 HB3 MET A 13 21.028 88.553 43.806 1.00 0.00 H new ATOM 0 HG2 MET A 13 18.618 88.045 44.844 1.00 0.00 H new ATOM 0 HG3 MET A 13 18.067 88.459 43.233 1.00 0.00 H new ATOM 0 HE1 MET A 13 19.630 85.702 40.954 1.00 0.00 H new ATOM 0 HE2 MET A 13 18.454 87.032 41.068 1.00 0.00 H new ATOM 0 HE3 MET A 13 20.195 87.368 41.222 1.00 0.00 H new ATOM 140 N GLU A 14 21.318 92.342 44.779 1.00 0.00 N ATOM 141 CA GLU A 14 22.526 93.128 45.113 1.00 0.00 C ATOM 142 C GLU A 14 22.278 94.522 45.731 1.00 0.00 C ATOM 143 O GLU A 14 23.225 95.291 45.895 1.00 0.00 O ATOM 144 CB GLU A 14 23.456 93.228 43.894 1.00 0.00 C ATOM 145 CG GLU A 14 22.811 93.896 42.672 1.00 0.00 C ATOM 146 CD GLU A 14 23.852 94.498 41.720 1.00 0.00 C ATOM 147 OE1 GLU A 14 24.971 93.955 41.544 1.00 0.00 O ATOM 148 OE2 GLU A 14 23.563 95.574 41.153 1.00 0.00 O ATOM 0 H GLU A 14 20.517 92.911 44.504 1.00 0.00 H new ATOM 0 HA GLU A 14 23.006 92.565 45.913 1.00 0.00 H new ATOM 0 HB2 GLU A 14 24.347 93.790 44.174 1.00 0.00 H new ATOM 0 HB3 GLU A 14 23.784 92.226 43.617 1.00 0.00 H new ATOM 0 HG2 GLU A 14 22.211 93.162 42.134 1.00 0.00 H new ATOM 0 HG3 GLU A 14 22.131 94.680 43.006 1.00 0.00 H new ATOM 155 N ILE A 15 21.037 94.878 46.089 1.00 0.00 N ATOM 156 CA ILE A 15 20.689 96.248 46.529 1.00 0.00 C ATOM 157 C ILE A 15 21.461 96.711 47.781 1.00 0.00 C ATOM 158 O ILE A 15 21.952 97.840 47.790 1.00 0.00 O ATOM 159 CB ILE A 15 19.153 96.389 46.668 1.00 0.00 C ATOM 160 CG1 ILE A 15 18.483 96.498 45.278 1.00 0.00 C ATOM 161 CG2 ILE A 15 18.712 97.560 47.559 1.00 0.00 C ATOM 162 CD1 ILE A 15 18.764 97.773 44.465 1.00 0.00 C ATOM 0 H ILE A 15 20.246 94.234 46.084 1.00 0.00 H new ATOM 0 HA ILE A 15 21.019 96.936 45.750 1.00 0.00 H new ATOM 0 HB ILE A 15 18.820 95.480 47.169 1.00 0.00 H new ATOM 0 HG12 ILE A 15 18.797 95.641 44.683 1.00 0.00 H new ATOM 0 HG13 ILE A 15 17.405 96.414 45.414 1.00 0.00 H new ATOM 0 HG21 ILE A 15 17.623 97.592 47.606 1.00 0.00 H new ATOM 0 HG22 ILE A 15 19.115 97.425 48.563 1.00 0.00 H new ATOM 0 HG23 ILE A 15 19.084 98.495 47.141 1.00 0.00 H new ATOM 0 HD11 ILE A 15 18.235 97.722 43.513 1.00 0.00 H new ATOM 0 HD12 ILE A 15 18.421 98.644 45.024 1.00 0.00 H new ATOM 0 HD13 ILE A 15 19.835 97.858 44.281 1.00 0.00 H new ATOM 174 N VAL A 16 21.629 95.852 48.794 1.00 0.00 N ATOM 175 CA VAL A 16 22.527 96.099 49.945 1.00 0.00 C ATOM 176 C VAL A 16 23.449 94.901 50.178 1.00 0.00 C ATOM 177 O VAL A 16 24.635 95.000 49.877 1.00 0.00 O ATOM 178 CB VAL A 16 21.754 96.554 51.207 1.00 0.00 C ATOM 179 CG1 VAL A 16 22.616 96.538 52.477 1.00 0.00 C ATOM 180 CG2 VAL A 16 21.240 97.989 51.039 1.00 0.00 C ATOM 0 H VAL A 16 21.144 94.956 48.845 1.00 0.00 H new ATOM 0 HA VAL A 16 23.173 96.942 49.701 1.00 0.00 H new ATOM 0 HB VAL A 16 20.936 95.842 51.317 1.00 0.00 H new ATOM 0 HG11 VAL A 16 22.018 96.867 53.327 1.00 0.00 H new ATOM 0 HG12 VAL A 16 22.978 95.526 52.658 1.00 0.00 H new ATOM 0 HG13 VAL A 16 23.465 97.210 52.349 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.700 98.289 51.937 1.00 0.00 H new ATOM 0 HG22 VAL A 16 22.083 98.661 50.881 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.571 98.038 50.180 1.00 0.00 H new ATOM 190 N CYS A 17 22.942 93.763 50.670 1.00 0.00 N ATOM 191 CA CYS A 17 23.763 92.566 50.890 1.00 0.00 C ATOM 192 C CYS A 17 22.922 91.272 50.844 1.00 0.00 C ATOM 193 O CYS A 17 22.454 90.757 51.867 1.00 0.00 O ATOM 194 CB CYS A 17 24.541 92.736 52.205 1.00 0.00 C ATOM 195 SG CYS A 17 25.932 91.573 52.204 1.00 0.00 S ATOM 0 H CYS A 17 21.961 93.647 50.924 1.00 0.00 H new ATOM 0 HA CYS A 17 24.482 92.460 50.078 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.903 93.760 52.301 1.00 0.00 H new ATOM 0 HB3 CYS A 17 23.889 92.547 53.058 1.00 0.00 H new ATOM 0 HG CYS A 17 26.606 91.702 53.308 1.00 0.00 H new ATOM 201 N ARG A 18 22.712 90.750 49.631 1.00 0.00 N ATOM 202 CA ARG A 18 21.934 89.536 49.327 1.00 0.00 C ATOM 203 C ARG A 18 22.669 88.682 48.286 1.00 0.00 C ATOM 204 O ARG A 18 23.259 89.240 47.372 1.00 0.00 O ATOM 205 CB ARG A 18 20.557 89.923 48.743 1.00 0.00 C ATOM 206 CG ARG A 18 19.579 90.671 49.665 1.00 0.00 C ATOM 207 CD ARG A 18 19.113 89.844 50.873 1.00 0.00 C ATOM 208 NE ARG A 18 17.673 90.034 51.149 1.00 0.00 N ATOM 209 CZ ARG A 18 17.099 90.558 52.220 1.00 0.00 C ATOM 210 NH1 ARG A 18 17.764 91.117 53.184 1.00 0.00 N ATOM 211 NH2 ARG A 18 15.807 90.514 52.347 1.00 0.00 N ATOM 0 H ARG A 18 23.097 91.181 48.791 1.00 0.00 H new ATOM 0 HA ARG A 18 21.808 88.973 50.252 1.00 0.00 H new ATOM 0 HB2 ARG A 18 20.727 90.541 47.861 1.00 0.00 H new ATOM 0 HB3 ARG A 18 20.067 89.010 48.403 1.00 0.00 H new ATOM 0 HG2 ARG A 18 20.057 91.583 50.023 1.00 0.00 H new ATOM 0 HG3 ARG A 18 18.707 90.974 49.085 1.00 0.00 H new ATOM 0 HD2 ARG A 18 19.311 88.788 50.688 1.00 0.00 H new ATOM 0 HD3 ARG A 18 19.692 90.128 51.752 1.00 0.00 H new ATOM 0 HE ARG A 18 17.037 89.719 50.416 1.00 0.00 H new ATOM 0 HH11 ARG A 18 18.782 91.168 53.139 1.00 0.00 H new ATOM 0 HH12 ARG A 18 17.269 91.505 53.987 1.00 0.00 H new ATOM 0 HH21 ARG A 18 15.238 90.076 51.622 1.00 0.00 H new ATOM 0 HH22 ARG A 18 15.362 90.917 53.171 1.00 0.00 H new ATOM 225 N ARG A 19 22.546 87.357 48.388 1.00 0.00 N ATOM 226 CA ARG A 19 22.584 86.372 47.286 1.00 0.00 C ATOM 227 C ARG A 19 21.706 85.191 47.729 1.00 0.00 C ATOM 228 O ARG A 19 20.482 85.319 47.701 1.00 0.00 O ATOM 229 CB ARG A 19 24.020 85.968 46.864 1.00 0.00 C ATOM 230 CG ARG A 19 24.715 86.901 45.849 1.00 0.00 C ATOM 231 CD ARG A 19 25.845 87.781 46.421 1.00 0.00 C ATOM 232 NE ARG A 19 26.608 88.490 45.368 1.00 0.00 N ATOM 233 CZ ARG A 19 26.164 89.339 44.457 1.00 0.00 C ATOM 234 NH1 ARG A 19 24.947 89.785 44.404 1.00 0.00 N ATOM 235 NH2 ARG A 19 26.942 89.772 43.514 1.00 0.00 N ATOM 0 H ARG A 19 22.409 86.908 49.293 1.00 0.00 H new ATOM 0 HA ARG A 19 22.188 86.809 46.369 1.00 0.00 H new ATOM 0 HB2 ARG A 19 24.639 85.913 47.760 1.00 0.00 H new ATOM 0 HB3 ARG A 19 23.984 84.965 46.440 1.00 0.00 H new ATOM 0 HG2 ARG A 19 25.125 86.292 45.044 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.961 87.551 45.405 1.00 0.00 H new ATOM 0 HD2 ARG A 19 25.418 88.511 47.108 1.00 0.00 H new ATOM 0 HD3 ARG A 19 26.527 87.158 47.000 1.00 0.00 H new ATOM 0 HE ARG A 19 27.609 88.298 45.342 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.262 89.481 45.096 1.00 0.00 H new ATOM 0 HH12 ARG A 19 24.675 90.440 43.671 1.00 0.00 H new ATOM 0 HH21 ARG A 19 27.911 89.458 43.468 1.00 0.00 H new ATOM 0 HH22 ARG A 19 26.585 90.427 42.818 1.00 0.00 H new ATOM 249 N GLU A 20 22.300 84.130 48.277 1.00 0.00 N ATOM 250 CA GLU A 20 21.623 83.107 49.088 1.00 0.00 C ATOM 251 C GLU A 20 22.399 82.807 50.382 1.00 0.00 C ATOM 252 O GLU A 20 21.884 83.065 51.473 1.00 0.00 O ATOM 253 CB GLU A 20 21.392 81.814 48.283 1.00 0.00 C ATOM 254 CG GLU A 20 20.394 82.003 47.132 1.00 0.00 C ATOM 255 CD GLU A 20 20.025 80.678 46.451 1.00 0.00 C ATOM 256 OE1 GLU A 20 19.717 79.688 47.149 1.00 0.00 O ATOM 257 OE2 GLU A 20 19.941 80.633 45.201 1.00 0.00 O ATOM 0 H GLU A 20 23.298 83.950 48.167 1.00 0.00 H new ATOM 0 HA GLU A 20 20.650 83.512 49.366 1.00 0.00 H new ATOM 0 HB2 GLU A 20 22.343 81.467 47.880 1.00 0.00 H new ATOM 0 HB3 GLU A 20 21.026 81.035 48.952 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.489 82.476 47.514 1.00 0.00 H new ATOM 0 HG3 GLU A 20 20.821 82.681 46.393 1.00 0.00 H new ATOM 264 N PHE A 21 23.630 82.297 50.258 1.00 0.00 N ATOM 265 CA PHE A 21 24.536 81.887 51.346 1.00 0.00 C ATOM 266 C PHE A 21 26.017 81.949 50.896 1.00 0.00 C ATOM 267 O PHE A 21 26.297 82.209 49.724 1.00 0.00 O ATOM 268 CB PHE A 21 24.159 80.468 51.831 1.00 0.00 C ATOM 269 CG PHE A 21 23.691 80.362 53.277 1.00 0.00 C ATOM 270 CD1 PHE A 21 24.333 81.074 54.314 1.00 0.00 C ATOM 271 CD2 PHE A 21 22.625 79.498 53.596 1.00 0.00 C ATOM 272 CE1 PHE A 21 23.903 80.934 55.646 1.00 0.00 C ATOM 273 CE2 PHE A 21 22.195 79.360 54.929 1.00 0.00 C ATOM 274 CZ PHE A 21 22.830 80.080 55.954 1.00 0.00 C ATOM 0 H PHE A 21 24.049 82.149 49.340 1.00 0.00 H new ATOM 0 HA PHE A 21 24.423 82.584 52.177 1.00 0.00 H new ATOM 0 HB2 PHE A 21 23.371 80.082 51.185 1.00 0.00 H new ATOM 0 HB3 PHE A 21 25.025 79.819 51.701 1.00 0.00 H new ATOM 0 HD1 PHE A 21 25.159 81.730 54.083 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.135 78.938 52.813 1.00 0.00 H new ATOM 0 HE1 PHE A 21 24.398 81.483 56.433 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.374 78.699 55.164 1.00 0.00 H new ATOM 0 HZ PHE A 21 22.495 79.978 56.976 1.00 0.00 H new ATOM 284 N GLY A 22 26.974 81.737 51.810 1.00 0.00 N ATOM 285 CA GLY A 22 28.404 81.984 51.561 1.00 0.00 C ATOM 286 C GLY A 22 28.710 83.454 51.230 1.00 0.00 C ATOM 287 O GLY A 22 27.830 84.312 51.347 1.00 0.00 O ATOM 0 H GLY A 22 26.778 81.388 52.748 1.00 0.00 H new ATOM 0 HA2 GLY A 22 28.977 81.688 52.440 1.00 0.00 H new ATOM 0 HA3 GLY A 22 28.738 81.354 50.736 1.00 0.00 H new ATOM 291 N HIS A 23 29.942 83.766 50.809 1.00 0.00 N ATOM 292 CA HIS A 23 30.345 85.128 50.402 1.00 0.00 C ATOM 293 C HIS A 23 31.336 85.197 49.226 1.00 0.00 C ATOM 294 O HIS A 23 31.315 86.187 48.491 1.00 0.00 O ATOM 295 CB HIS A 23 30.894 85.887 51.625 1.00 0.00 C ATOM 296 CG HIS A 23 29.816 86.342 52.582 1.00 0.00 C ATOM 297 ND1 HIS A 23 29.612 85.874 53.885 1.00 0.00 N ATOM 298 CD2 HIS A 23 28.819 87.219 52.270 1.00 0.00 C ATOM 299 CE1 HIS A 23 28.479 86.457 54.309 1.00 0.00 C ATOM 300 NE2 HIS A 23 27.987 87.274 53.363 1.00 0.00 N ATOM 0 H HIS A 23 30.695 83.081 50.739 1.00 0.00 H new ATOM 0 HA HIS A 23 29.442 85.605 50.023 1.00 0.00 H new ATOM 0 HB2 HIS A 23 31.595 85.244 52.158 1.00 0.00 H new ATOM 0 HB3 HIS A 23 31.456 86.756 51.282 1.00 0.00 H new ATOM 0 HD2 HIS A 23 28.705 87.764 51.345 1.00 0.00 H new ATOM 0 HE1 HIS A 23 28.027 86.292 55.276 1.00 0.00 H new ATOM 0 HE2 HIS A 23 27.141 87.838 53.442 1.00 0.00 H new ATOM 308 N LYS A 24 32.196 84.188 49.022 1.00 0.00 N ATOM 309 CA LYS A 24 33.126 84.088 47.876 1.00 0.00 C ATOM 310 C LYS A 24 32.835 82.839 47.031 1.00 0.00 C ATOM 311 O LYS A 24 31.931 82.874 46.202 1.00 0.00 O ATOM 312 CB LYS A 24 34.610 84.207 48.302 1.00 0.00 C ATOM 313 CG LYS A 24 35.138 85.627 48.583 1.00 0.00 C ATOM 314 CD LYS A 24 34.586 86.363 49.813 1.00 0.00 C ATOM 315 CE LYS A 24 34.516 85.525 51.095 1.00 0.00 C ATOM 316 NZ LYS A 24 35.835 84.983 51.492 1.00 0.00 N ATOM 0 H LYS A 24 32.270 83.397 49.662 1.00 0.00 H new ATOM 0 HA LYS A 24 32.946 84.949 47.233 1.00 0.00 H new ATOM 0 HB2 LYS A 24 34.755 83.606 49.200 1.00 0.00 H new ATOM 0 HB3 LYS A 24 35.225 83.764 47.519 1.00 0.00 H new ATOM 0 HG2 LYS A 24 36.222 85.568 48.686 1.00 0.00 H new ATOM 0 HG3 LYS A 24 34.934 86.241 47.705 1.00 0.00 H new ATOM 0 HD2 LYS A 24 35.208 87.238 50.003 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.585 86.727 49.580 1.00 0.00 H new ATOM 0 HE2 LYS A 24 34.120 86.138 51.905 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.818 84.701 50.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 35.733 84.425 52.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 36.203 84.375 50.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 36.497 85.768 51.659 1.00 0.00 H new ATOM 330 N GLU A 25 33.606 81.768 47.236 1.00 0.00 N ATOM 331 CA GLU A 25 33.668 80.583 46.367 1.00 0.00 C ATOM 332 C GLU A 25 33.067 79.345 47.054 1.00 0.00 C ATOM 333 O GLU A 25 31.844 79.264 47.158 1.00 0.00 O ATOM 334 CB GLU A 25 35.105 80.379 45.855 1.00 0.00 C ATOM 335 CG GLU A 25 35.531 81.468 44.855 1.00 0.00 C ATOM 336 CD GLU A 25 37.009 81.347 44.465 1.00 0.00 C ATOM 337 OE1 GLU A 25 37.543 80.217 44.455 1.00 0.00 O ATOM 338 OE2 GLU A 25 37.642 82.401 44.214 1.00 0.00 O ATOM 0 H GLU A 25 34.229 81.697 48.041 1.00 0.00 H new ATOM 0 HA GLU A 25 33.044 80.747 45.489 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.792 80.377 46.701 1.00 0.00 H new ATOM 0 HB3 GLU A 25 35.183 79.402 45.379 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.913 81.399 43.959 1.00 0.00 H new ATOM 0 HG3 GLU A 25 35.351 82.451 45.291 1.00 0.00 H new ATOM 345 N GLU A 26 33.880 78.394 47.535 1.00 0.00 N ATOM 346 CA GLU A 26 33.383 77.203 48.244 1.00 0.00 C ATOM 347 C GLU A 26 32.890 77.568 49.653 1.00 0.00 C ATOM 348 O GLU A 26 31.750 77.276 50.007 1.00 0.00 O ATOM 349 CB GLU A 26 34.477 76.128 48.344 1.00 0.00 C ATOM 350 CG GLU A 26 35.044 75.646 47.000 1.00 0.00 C ATOM 351 CD GLU A 26 36.276 74.778 47.258 1.00 0.00 C ATOM 352 OE1 GLU A 26 37.332 75.351 47.629 1.00 0.00 O ATOM 353 OE2 GLU A 26 36.165 73.532 47.209 1.00 0.00 O ATOM 0 H GLU A 26 34.896 78.427 47.445 1.00 0.00 H new ATOM 0 HA GLU A 26 32.547 76.805 47.669 1.00 0.00 H new ATOM 0 HB2 GLU A 26 35.296 76.521 48.946 1.00 0.00 H new ATOM 0 HB3 GLU A 26 34.072 75.269 48.879 1.00 0.00 H new ATOM 0 HG2 GLU A 26 34.290 75.076 46.457 1.00 0.00 H new ATOM 0 HG3 GLU A 26 35.310 76.500 46.376 1.00 0.00 H new ATOM 360 N GLU A 27 33.754 78.218 50.444 1.00 0.00 N ATOM 361 CA GLU A 27 33.413 79.054 51.607 1.00 0.00 C ATOM 362 C GLU A 27 34.662 79.805 52.118 1.00 0.00 C ATOM 363 O GLU A 27 34.677 81.036 52.169 1.00 0.00 O ATOM 364 CB GLU A 27 32.788 78.227 52.758 1.00 0.00 C ATOM 365 CG GLU A 27 31.331 78.626 53.049 1.00 0.00 C ATOM 366 CD GLU A 27 31.224 79.958 53.805 1.00 0.00 C ATOM 367 OE1 GLU A 27 31.390 81.038 53.188 1.00 0.00 O ATOM 368 OE2 GLU A 27 30.986 79.929 55.036 1.00 0.00 O ATOM 0 H GLU A 27 34.760 78.174 50.284 1.00 0.00 H new ATOM 0 HA GLU A 27 32.667 79.775 51.274 1.00 0.00 H new ATOM 0 HB2 GLU A 27 32.827 77.168 52.502 1.00 0.00 H new ATOM 0 HB3 GLU A 27 33.384 78.359 53.661 1.00 0.00 H new ATOM 0 HG2 GLU A 27 30.784 78.701 52.109 1.00 0.00 H new ATOM 0 HG3 GLU A 27 30.853 77.841 53.634 1.00 0.00 H new ATOM 375 N ASP A 28 35.729 79.073 52.454 1.00 0.00 N ATOM 376 CA ASP A 28 36.873 79.548 53.246 1.00 0.00 C ATOM 377 C ASP A 28 38.212 79.180 52.583 1.00 0.00 C ATOM 378 O ASP A 28 38.578 78.007 52.545 1.00 0.00 O ATOM 379 CB ASP A 28 36.754 78.912 54.642 1.00 0.00 C ATOM 380 CG ASP A 28 38.010 79.107 55.492 1.00 0.00 C ATOM 381 OD1 ASP A 28 38.488 80.260 55.579 1.00 0.00 O ATOM 382 OD2 ASP A 28 38.485 78.120 56.102 1.00 0.00 O ATOM 0 H ASP A 28 35.825 78.097 52.173 1.00 0.00 H new ATOM 0 HA ASP A 28 36.857 80.636 53.315 1.00 0.00 H new ATOM 0 HB2 ASP A 28 35.899 79.344 55.161 1.00 0.00 H new ATOM 0 HB3 ASP A 28 36.556 77.846 54.535 1.00 0.00 H new ATOM 387 N ALA A 29 38.930 80.170 52.038 1.00 0.00 N ATOM 388 CA ALA A 29 40.182 79.967 51.294 1.00 0.00 C ATOM 389 C ALA A 29 40.980 81.278 51.090 1.00 0.00 C ATOM 390 O ALA A 29 41.338 81.611 49.957 1.00 0.00 O ATOM 391 CB ALA A 29 39.837 79.311 49.941 1.00 0.00 C ATOM 0 H ALA A 29 38.654 81.150 52.102 1.00 0.00 H new ATOM 0 HA ALA A 29 40.833 79.316 51.879 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.752 79.151 49.371 1.00 0.00 H new ATOM 0 HB2 ALA A 29 39.346 78.354 50.116 1.00 0.00 H new ATOM 0 HB3 ALA A 29 39.169 79.965 49.380 1.00 0.00 H new ATOM 397 N SER A 30 41.172 82.092 52.137 1.00 0.00 N ATOM 398 CA SER A 30 41.760 83.441 51.984 1.00 0.00 C ATOM 399 C SER A 30 42.466 84.036 53.218 1.00 0.00 C ATOM 400 O SER A 30 42.878 85.200 53.172 1.00 0.00 O ATOM 401 CB SER A 30 40.697 84.415 51.445 1.00 0.00 C ATOM 402 OG SER A 30 39.559 84.485 52.287 1.00 0.00 O ATOM 0 H SER A 30 40.932 81.846 53.097 1.00 0.00 H new ATOM 0 HA SER A 30 42.572 83.303 51.270 1.00 0.00 H new ATOM 0 HB2 SER A 30 41.134 85.408 51.345 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.390 84.100 50.448 1.00 0.00 H new ATOM 0 HG SER A 30 38.911 85.115 51.909 1.00 0.00 H new ATOM 408 N GLU A 31 42.639 83.286 54.307 1.00 0.00 N ATOM 409 CA GLU A 31 43.313 83.725 55.547 1.00 0.00 C ATOM 410 C GLU A 31 44.190 82.590 56.127 1.00 0.00 C ATOM 411 O GLU A 31 44.428 81.585 55.453 1.00 0.00 O ATOM 412 CB GLU A 31 42.241 84.241 56.539 1.00 0.00 C ATOM 413 CG GLU A 31 42.511 85.641 57.115 1.00 0.00 C ATOM 414 CD GLU A 31 43.422 85.642 58.352 1.00 0.00 C ATOM 415 OE1 GLU A 31 44.660 85.498 58.187 1.00 0.00 O ATOM 416 OE2 GLU A 31 42.915 85.816 59.488 1.00 0.00 O ATOM 0 H GLU A 31 42.306 82.323 54.360 1.00 0.00 H new ATOM 0 HA GLU A 31 43.998 84.547 55.339 1.00 0.00 H new ATOM 0 HB2 GLU A 31 41.275 84.252 56.034 1.00 0.00 H new ATOM 0 HB3 GLU A 31 42.161 83.534 57.365 1.00 0.00 H new ATOM 0 HG2 GLU A 31 42.965 86.260 56.341 1.00 0.00 H new ATOM 0 HG3 GLU A 31 41.560 86.105 57.376 1.00 0.00 H new ATOM 423 N GLY A 32 44.724 82.749 57.344 1.00 0.00 N ATOM 424 CA GLY A 32 45.412 81.677 58.082 1.00 0.00 C ATOM 425 C GLY A 32 46.857 81.386 57.653 1.00 0.00 C ATOM 426 O GLY A 32 47.443 80.420 58.144 1.00 0.00 O ATOM 0 H GLY A 32 44.692 83.633 57.851 1.00 0.00 H new ATOM 0 HA2 GLY A 32 45.413 81.935 59.141 1.00 0.00 H new ATOM 0 HA3 GLY A 32 44.831 80.760 57.978 1.00 0.00 H new ATOM 430 N VAL A 33 47.419 82.215 56.760 1.00 0.00 N ATOM 431 CA VAL A 33 48.763 82.121 56.153 1.00 0.00 C ATOM 432 C VAL A 33 49.088 80.730 55.598 1.00 0.00 C ATOM 433 O VAL A 33 49.735 79.907 56.243 1.00 0.00 O ATOM 434 CB VAL A 33 49.881 82.725 57.033 1.00 0.00 C ATOM 435 CG1 VAL A 33 49.705 84.246 57.130 1.00 0.00 C ATOM 436 CG2 VAL A 33 50.010 82.175 58.458 1.00 0.00 C ATOM 0 H VAL A 33 46.912 83.030 56.415 1.00 0.00 H new ATOM 0 HA VAL A 33 48.726 82.765 55.275 1.00 0.00 H new ATOM 0 HB VAL A 33 50.796 82.431 56.519 1.00 0.00 H new ATOM 0 HG11 VAL A 33 50.496 84.665 57.752 1.00 0.00 H new ATOM 0 HG12 VAL A 33 49.757 84.683 56.133 1.00 0.00 H new ATOM 0 HG13 VAL A 33 48.736 84.473 57.575 1.00 0.00 H new ATOM 0 HG21 VAL A 33 50.829 82.680 58.970 1.00 0.00 H new ATOM 0 HG22 VAL A 33 49.081 82.349 59.001 1.00 0.00 H new ATOM 0 HG23 VAL A 33 50.212 81.105 58.418 1.00 0.00 H new ATOM 446 N THR A 34 48.628 80.466 54.373 1.00 0.00 N ATOM 447 CA THR A 34 48.806 79.189 53.659 1.00 0.00 C ATOM 448 C THR A 34 50.270 78.770 53.480 1.00 0.00 C ATOM 449 O THR A 34 51.174 79.599 53.356 1.00 0.00 O ATOM 450 CB THR A 34 48.094 79.213 52.297 1.00 0.00 C ATOM 451 OG1 THR A 34 48.313 80.430 51.619 1.00 0.00 O ATOM 452 CG2 THR A 34 46.587 79.081 52.486 1.00 0.00 C ATOM 0 H THR A 34 48.105 81.153 53.830 1.00 0.00 H new ATOM 0 HA THR A 34 48.347 78.436 54.300 1.00 0.00 H new ATOM 0 HB THR A 34 48.498 78.382 51.719 1.00 0.00 H new ATOM 0 HG1 THR A 34 47.848 80.412 50.756 1.00 0.00 H new ATOM 0 HG21 THR A 34 46.095 79.100 51.513 1.00 0.00 H new ATOM 0 HG22 THR A 34 46.364 78.139 52.987 1.00 0.00 H new ATOM 0 HG23 THR A 34 46.222 79.910 53.093 1.00 0.00 H new ATOM 460 N THR A 35 50.501 77.455 53.494 1.00 0.00 N ATOM 461 CA THR A 35 51.829 76.822 53.425 1.00 0.00 C ATOM 462 C THR A 35 52.020 76.165 52.057 1.00 0.00 C ATOM 463 O THR A 35 51.170 75.386 51.621 1.00 0.00 O ATOM 464 CB THR A 35 51.992 75.802 54.564 1.00 0.00 C ATOM 465 OG1 THR A 35 52.067 76.472 55.810 1.00 0.00 O ATOM 466 CG2 THR A 35 53.246 74.942 54.452 1.00 0.00 C ATOM 0 H THR A 35 49.744 76.774 53.556 1.00 0.00 H new ATOM 0 HA THR A 35 52.599 77.583 53.548 1.00 0.00 H new ATOM 0 HB THR A 35 51.119 75.153 54.490 1.00 0.00 H new ATOM 0 HG1 THR A 35 52.169 75.814 56.529 1.00 0.00 H new ATOM 0 HG21 THR A 35 53.288 74.249 55.292 1.00 0.00 H new ATOM 0 HG22 THR A 35 53.219 74.380 53.519 1.00 0.00 H new ATOM 0 HG23 THR A 35 54.128 75.582 54.465 1.00 0.00 H new ATOM 474 N GLY A 36 53.143 76.449 51.398 1.00 0.00 N ATOM 475 CA GLY A 36 53.392 76.041 50.015 1.00 0.00 C ATOM 476 C GLY A 36 54.746 76.551 49.543 1.00 0.00 C ATOM 477 O GLY A 36 54.829 77.492 48.755 1.00 0.00 O ATOM 0 H GLY A 36 53.913 76.974 51.813 1.00 0.00 H new ATOM 0 HA2 GLY A 36 53.360 74.954 49.939 1.00 0.00 H new ATOM 0 HA3 GLY A 36 52.605 76.429 49.368 1.00 0.00 H new ATOM 564 N THR A 43 64.315 79.630 53.511 1.00 0.00 N ATOM 565 CA THR A 43 64.856 80.748 52.725 1.00 0.00 C ATOM 566 C THR A 43 65.225 81.941 53.613 1.00 0.00 C ATOM 567 O THR A 43 64.596 82.216 54.640 1.00 0.00 O ATOM 568 CB THR A 43 63.920 81.157 51.574 1.00 0.00 C ATOM 569 OG1 THR A 43 63.448 80.001 50.924 1.00 0.00 O ATOM 570 CG2 THR A 43 64.643 81.936 50.473 1.00 0.00 C ATOM 0 HA THR A 43 65.778 80.392 52.266 1.00 0.00 H new ATOM 0 HB THR A 43 63.137 81.764 52.029 1.00 0.00 H new ATOM 0 HG1 THR A 43 63.574 79.223 51.507 1.00 0.00 H new ATOM 0 HG21 THR A 43 63.934 82.198 49.688 1.00 0.00 H new ATOM 0 HG22 THR A 43 65.072 82.846 50.893 1.00 0.00 H new ATOM 0 HG23 THR A 43 65.438 81.320 50.053 1.00 0.00 H new ATOM 578 N LYS A 44 66.298 82.637 53.227 1.00 0.00 N ATOM 579 CA LYS A 44 66.895 83.782 53.936 1.00 0.00 C ATOM 580 C LYS A 44 66.084 85.075 53.770 1.00 0.00 C ATOM 581 O LYS A 44 64.952 85.044 53.283 1.00 0.00 O ATOM 582 CB LYS A 44 68.367 83.901 53.505 1.00 0.00 C ATOM 583 CG LYS A 44 68.586 84.088 51.992 1.00 0.00 C ATOM 584 CD LYS A 44 69.740 83.215 51.482 1.00 0.00 C ATOM 585 CE LYS A 44 69.399 81.715 51.559 1.00 0.00 C ATOM 586 NZ LYS A 44 70.628 80.893 51.562 1.00 0.00 N ATOM 0 H LYS A 44 66.802 82.409 52.370 1.00 0.00 H new ATOM 0 HA LYS A 44 66.866 83.606 55.011 1.00 0.00 H new ATOM 0 HB2 LYS A 44 68.817 84.744 54.030 1.00 0.00 H new ATOM 0 HB3 LYS A 44 68.898 83.005 53.826 1.00 0.00 H new ATOM 0 HG2 LYS A 44 67.671 83.834 51.456 1.00 0.00 H new ATOM 0 HG3 LYS A 44 68.799 85.136 51.780 1.00 0.00 H new ATOM 0 HD2 LYS A 44 69.970 83.483 50.451 1.00 0.00 H new ATOM 0 HD3 LYS A 44 70.635 83.415 52.071 1.00 0.00 H new ATOM 0 HE2 LYS A 44 68.821 81.515 52.461 1.00 0.00 H new ATOM 0 HE3 LYS A 44 68.773 81.437 50.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 70.374 79.890 51.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 71.140 81.030 50.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 71.236 81.180 52.356 1.00 0.00 H new ATOM 600 N ALA A 45 66.651 86.203 54.203 1.00 0.00 N ATOM 601 CA ALA A 45 66.082 87.540 54.025 1.00 0.00 C ATOM 602 C ALA A 45 65.575 87.796 52.592 1.00 0.00 C ATOM 603 O ALA A 45 66.079 87.200 51.641 1.00 0.00 O ATOM 604 CB ALA A 45 67.167 88.572 54.359 1.00 0.00 C ATOM 0 H ALA A 45 67.542 86.212 54.700 1.00 0.00 H new ATOM 0 HA ALA A 45 65.221 87.624 54.688 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.764 89.577 54.233 1.00 0.00 H new ATOM 0 HB2 ALA A 45 67.491 88.438 55.391 1.00 0.00 H new ATOM 0 HB3 ALA A 45 68.017 88.435 53.691 1.00 0.00 H new ATOM 610 N ILE A 46 64.643 88.742 52.438 1.00 0.00 N ATOM 611 CA ILE A 46 64.243 89.285 51.131 1.00 0.00 C ATOM 612 C ILE A 46 64.921 90.659 50.955 1.00 0.00 C ATOM 613 O ILE A 46 64.325 91.671 51.346 1.00 0.00 O ATOM 614 CB ILE A 46 62.699 89.365 50.951 1.00 0.00 C ATOM 615 CG1 ILE A 46 61.892 88.100 51.322 1.00 0.00 C ATOM 616 CG2 ILE A 46 62.419 89.663 49.465 1.00 0.00 C ATOM 617 CD1 ILE A 46 61.679 87.869 52.827 1.00 0.00 C ATOM 0 H ILE A 46 64.140 89.157 53.222 1.00 0.00 H new ATOM 0 HA ILE A 46 64.576 88.604 50.348 1.00 0.00 H new ATOM 0 HB ILE A 46 62.370 90.138 51.646 1.00 0.00 H new ATOM 0 HG12 ILE A 46 60.916 88.158 50.839 1.00 0.00 H new ATOM 0 HG13 ILE A 46 62.402 87.230 50.907 1.00 0.00 H new ATOM 0 HG21 ILE A 46 61.343 89.726 49.303 1.00 0.00 H new ATOM 0 HG22 ILE A 46 62.883 90.610 49.190 1.00 0.00 H new ATOM 0 HG23 ILE A 46 62.832 88.864 48.850 1.00 0.00 H new ATOM 0 HD11 ILE A 46 61.102 86.956 52.977 1.00 0.00 H new ATOM 0 HD12 ILE A 46 62.646 87.772 53.321 1.00 0.00 H new ATOM 0 HD13 ILE A 46 61.138 88.714 53.252 1.00 0.00 H new ATOM 629 N PRO A 47 66.168 90.741 50.445 1.00 0.00 N ATOM 630 CA PRO A 47 66.849 92.009 50.192 1.00 0.00 C ATOM 631 C PRO A 47 66.280 92.700 48.940 1.00 0.00 C ATOM 632 O PRO A 47 65.301 92.248 48.339 1.00 0.00 O ATOM 633 CB PRO A 47 68.327 91.619 50.029 1.00 0.00 C ATOM 634 CG PRO A 47 68.236 90.259 49.341 1.00 0.00 C ATOM 635 CD PRO A 47 67.031 89.634 50.039 1.00 0.00 C ATOM 0 HA PRO A 47 66.714 92.733 50.996 1.00 0.00 H new ATOM 0 HB2 PRO A 47 68.874 92.343 49.425 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.838 91.554 50.990 1.00 0.00 H new ATOM 0 HG2 PRO A 47 68.081 90.354 48.266 1.00 0.00 H new ATOM 0 HG3 PRO A 47 69.141 89.669 49.482 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.503 88.956 49.369 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.344 89.048 50.904 1.00 0.00 H new ATOM 718 N ALA A 52 70.446 95.024 44.116 1.00 0.00 N ATOM 719 CA ALA A 52 71.394 94.561 45.130 1.00 0.00 C ATOM 720 C ALA A 52 72.769 95.223 44.922 1.00 0.00 C ATOM 721 O ALA A 52 72.854 96.449 44.936 1.00 0.00 O ATOM 722 CB ALA A 52 71.400 93.020 45.150 1.00 0.00 C ATOM 0 HA ALA A 52 71.089 94.872 46.129 1.00 0.00 H new ATOM 0 HB1 ALA A 52 72.105 92.669 45.904 1.00 0.00 H new ATOM 0 HB2 ALA A 52 70.401 92.655 45.389 1.00 0.00 H new ATOM 0 HB3 ALA A 52 71.699 92.645 44.171 1.00 0.00 H new ATOM 728 N ASN A 53 73.830 94.431 44.709 1.00 0.00 N ATOM 729 CA ASN A 53 75.207 94.823 44.365 1.00 0.00 C ATOM 730 C ASN A 53 75.969 95.695 45.394 1.00 0.00 C ATOM 731 O ASN A 53 77.092 95.366 45.780 1.00 0.00 O ATOM 732 CB ASN A 53 75.204 95.420 42.944 1.00 0.00 C ATOM 733 CG ASN A 53 76.236 94.756 42.062 1.00 0.00 C ATOM 734 OD1 ASN A 53 77.384 95.173 42.012 1.00 0.00 O ATOM 735 ND2 ASN A 53 75.872 93.680 41.408 1.00 0.00 N ATOM 0 H ASN A 53 73.741 93.417 44.778 1.00 0.00 H new ATOM 0 HA ASN A 53 75.801 93.910 44.397 1.00 0.00 H new ATOM 0 HB2 ASN A 53 74.215 95.302 42.501 1.00 0.00 H new ATOM 0 HB3 ASN A 53 75.404 96.490 42.997 1.00 0.00 H new ATOM 0 HD21 ASN A 53 76.552 93.172 40.843 1.00 0.00 H new ATOM 0 HD22 ASN A 53 74.908 93.350 41.464 1.00 0.00 H new ATOM 742 N LYS A 54 75.366 96.791 45.861 1.00 0.00 N ATOM 743 CA LYS A 54 75.860 97.723 46.883 1.00 0.00 C ATOM 744 C LYS A 54 76.019 97.035 48.240 1.00 0.00 C ATOM 745 O LYS A 54 75.128 96.287 48.655 1.00 0.00 O ATOM 746 CB LYS A 54 74.855 98.888 46.957 1.00 0.00 C ATOM 747 CG LYS A 54 75.303 100.031 47.886 1.00 0.00 C ATOM 748 CD LYS A 54 74.315 101.210 47.903 1.00 0.00 C ATOM 749 CE LYS A 54 74.171 101.833 46.511 1.00 0.00 C ATOM 750 NZ LYS A 54 73.446 103.125 46.532 1.00 0.00 N ATOM 0 H LYS A 54 74.451 97.073 45.510 1.00 0.00 H new ATOM 0 HA LYS A 54 76.851 98.090 46.615 1.00 0.00 H new ATOM 0 HB2 LYS A 54 74.699 99.286 45.954 1.00 0.00 H new ATOM 0 HB3 LYS A 54 73.894 98.506 47.302 1.00 0.00 H new ATOM 0 HG2 LYS A 54 75.418 99.645 48.899 1.00 0.00 H new ATOM 0 HG3 LYS A 54 76.282 100.389 47.568 1.00 0.00 H new ATOM 0 HD2 LYS A 54 73.341 100.867 48.253 1.00 0.00 H new ATOM 0 HD3 LYS A 54 74.659 101.966 48.609 1.00 0.00 H new ATOM 0 HE2 LYS A 54 75.161 101.984 46.082 1.00 0.00 H new ATOM 0 HE3 LYS A 54 73.644 101.136 45.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 73.378 103.501 45.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 72.490 102.980 46.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 73.960 103.802 47.131 1.00 0.00 H new ATOM 764 N TYR A 55 77.108 97.345 48.950 1.00 0.00 N ATOM 765 CA TYR A 55 77.506 96.843 50.280 1.00 0.00 C ATOM 766 C TYR A 55 77.761 95.324 50.386 1.00 0.00 C ATOM 767 O TYR A 55 78.800 94.909 50.896 1.00 0.00 O ATOM 768 CB TYR A 55 76.516 97.344 51.354 1.00 0.00 C ATOM 769 CG TYR A 55 77.118 98.122 52.510 1.00 0.00 C ATOM 770 CD1 TYR A 55 78.328 97.719 53.115 1.00 0.00 C ATOM 771 CD2 TYR A 55 76.433 99.252 53.002 1.00 0.00 C ATOM 772 CE1 TYR A 55 78.848 98.448 54.202 1.00 0.00 C ATOM 773 CE2 TYR A 55 76.953 99.976 54.089 1.00 0.00 C ATOM 774 CZ TYR A 55 78.157 99.571 54.697 1.00 0.00 C ATOM 775 OH TYR A 55 78.642 100.254 55.763 1.00 0.00 O ATOM 0 H TYR A 55 77.793 98.007 48.585 1.00 0.00 H new ATOM 0 HA TYR A 55 78.494 97.266 50.461 1.00 0.00 H new ATOM 0 HB2 TYR A 55 75.772 97.975 50.867 1.00 0.00 H new ATOM 0 HB3 TYR A 55 75.986 96.482 51.760 1.00 0.00 H new ATOM 0 HD1 TYR A 55 78.855 96.852 52.744 1.00 0.00 H new ATOM 0 HD2 TYR A 55 75.506 99.562 52.542 1.00 0.00 H new ATOM 0 HE1 TYR A 55 79.779 98.145 54.657 1.00 0.00 H new ATOM 0 HE2 TYR A 55 76.428 100.845 54.459 1.00 0.00 H new ATOM 0 HH TYR A 55 78.043 101.001 55.973 1.00 0.00 H new ATOM 785 N GLY A 56 76.836 94.499 49.898 1.00 0.00 N ATOM 786 CA GLY A 56 76.974 93.054 49.735 1.00 0.00 C ATOM 787 C GLY A 56 76.709 92.653 48.281 1.00 0.00 C ATOM 788 O GLY A 56 75.542 92.494 47.916 1.00 0.00 O ATOM 0 H GLY A 56 75.925 94.838 49.590 1.00 0.00 H new ATOM 0 HA2 GLY A 56 77.977 92.743 50.028 1.00 0.00 H new ATOM 0 HA3 GLY A 56 76.275 92.539 50.394 1.00 0.00 H new ATOM 792 N PRO A 57 77.742 92.487 47.432 1.00 0.00 N ATOM 793 CA PRO A 57 77.625 91.906 46.091 1.00 0.00 C ATOM 794 C PRO A 57 77.449 90.374 46.156 1.00 0.00 C ATOM 795 O PRO A 57 78.229 89.603 45.584 1.00 0.00 O ATOM 796 CB PRO A 57 78.875 92.383 45.342 1.00 0.00 C ATOM 797 CG PRO A 57 79.915 92.492 46.451 1.00 0.00 C ATOM 798 CD PRO A 57 79.096 92.979 47.645 1.00 0.00 C ATOM 0 HA PRO A 57 76.733 92.232 45.556 1.00 0.00 H new ATOM 0 HB2 PRO A 57 79.179 91.675 44.571 1.00 0.00 H new ATOM 0 HB3 PRO A 57 78.709 93.340 44.848 1.00 0.00 H new ATOM 0 HG2 PRO A 57 80.391 91.533 46.653 1.00 0.00 H new ATOM 0 HG3 PRO A 57 80.708 93.194 46.193 1.00 0.00 H new ATOM 0 HD2 PRO A 57 79.506 92.599 48.580 1.00 0.00 H new ATOM 0 HD3 PRO A 57 79.110 94.067 47.710 1.00 0.00 H new ATOM 806 N THR A 58 76.427 89.943 46.896 1.00 0.00 N ATOM 807 CA THR A 58 76.013 88.556 47.154 1.00 0.00 C ATOM 808 C THR A 58 74.677 88.248 46.469 1.00 0.00 C ATOM 809 O THR A 58 73.926 89.158 46.134 1.00 0.00 O ATOM 810 CB THR A 58 75.962 88.256 48.671 1.00 0.00 C ATOM 811 OG1 THR A 58 75.833 89.407 49.487 1.00 0.00 O ATOM 812 CG2 THR A 58 77.273 87.602 49.098 1.00 0.00 C ATOM 0 H THR A 58 75.815 90.606 47.371 1.00 0.00 H new ATOM 0 HA THR A 58 76.764 87.895 46.722 1.00 0.00 H new ATOM 0 HB THR A 58 75.085 87.623 48.808 1.00 0.00 H new ATOM 0 HG1 THR A 58 75.806 89.139 50.429 1.00 0.00 H new ATOM 0 HG21 THR A 58 77.242 87.389 50.166 1.00 0.00 H new ATOM 0 HG22 THR A 58 77.413 86.672 48.546 1.00 0.00 H new ATOM 0 HG23 THR A 58 78.102 88.277 48.887 1.00 0.00 H new ATOM 820 N ILE A 59 74.398 86.957 46.229 1.00 0.00 N ATOM 821 CA ILE A 59 73.393 86.485 45.250 1.00 0.00 C ATOM 822 C ILE A 59 73.730 87.004 43.832 1.00 0.00 C ATOM 823 O ILE A 59 72.935 87.660 43.157 1.00 0.00 O ATOM 824 CB ILE A 59 71.924 86.724 45.707 1.00 0.00 C ATOM 825 CG1 ILE A 59 71.721 86.434 47.217 1.00 0.00 C ATOM 826 CG2 ILE A 59 70.974 85.836 44.878 1.00 0.00 C ATOM 827 CD1 ILE A 59 70.288 86.653 47.722 1.00 0.00 C ATOM 0 H ILE A 59 74.870 86.195 46.716 1.00 0.00 H new ATOM 0 HA ILE A 59 73.456 85.398 45.198 1.00 0.00 H new ATOM 0 HB ILE A 59 71.698 87.778 45.543 1.00 0.00 H new ATOM 0 HG12 ILE A 59 72.009 85.402 47.417 1.00 0.00 H new ATOM 0 HG13 ILE A 59 72.395 87.070 47.790 1.00 0.00 H new ATOM 0 HG21 ILE A 59 69.946 86.004 45.199 1.00 0.00 H new ATOM 0 HG22 ILE A 59 71.070 86.087 43.822 1.00 0.00 H new ATOM 0 HG23 ILE A 59 71.233 84.788 45.027 1.00 0.00 H new ATOM 0 HD11 ILE A 59 70.239 86.427 48.787 1.00 0.00 H new ATOM 0 HD12 ILE A 59 69.999 87.691 47.558 1.00 0.00 H new ATOM 0 HD13 ILE A 59 69.607 85.997 47.180 1.00 0.00 H new ATOM 839 N GLY A 60 74.978 86.753 43.415 1.00 0.00 N ATOM 840 CA GLY A 60 75.503 87.063 42.083 1.00 0.00 C ATOM 841 C GLY A 60 75.485 85.839 41.166 1.00 0.00 C ATOM 842 O GLY A 60 75.891 84.755 41.579 1.00 0.00 O ATOM 0 H GLY A 60 75.672 86.313 44.019 1.00 0.00 H new ATOM 0 HA2 GLY A 60 74.911 87.861 41.636 1.00 0.00 H new ATOM 0 HA3 GLY A 60 76.524 87.435 42.172 1.00 0.00 H new ATOM 846 N ASP A 61 75.057 86.027 39.918 1.00 0.00 N ATOM 847 CA ASP A 61 74.939 84.981 38.889 1.00 0.00 C ATOM 848 C ASP A 61 76.143 84.931 37.934 1.00 0.00 C ATOM 849 O ASP A 61 76.398 83.923 37.274 1.00 0.00 O ATOM 850 CB ASP A 61 73.660 85.247 38.084 1.00 0.00 C ATOM 851 CG ASP A 61 72.405 84.768 38.808 1.00 0.00 C ATOM 852 OD1 ASP A 61 72.357 83.570 39.180 1.00 0.00 O ATOM 853 OD2 ASP A 61 71.459 85.572 38.954 1.00 0.00 O ATOM 0 H ASP A 61 74.771 86.945 39.578 1.00 0.00 H new ATOM 0 HA ASP A 61 74.905 84.016 39.395 1.00 0.00 H new ATOM 0 HB2 ASP A 61 73.575 86.315 37.885 1.00 0.00 H new ATOM 0 HB3 ASP A 61 73.732 84.747 37.118 1.00 0.00 H new ATOM 858 N LYS A 62 76.923 86.016 37.852 1.00 0.00 N ATOM 859 CA LYS A 62 78.105 86.148 36.980 1.00 0.00 C ATOM 860 C LYS A 62 79.335 85.405 37.542 1.00 0.00 C ATOM 861 O LYS A 62 80.406 85.981 37.710 1.00 0.00 O ATOM 862 CB LYS A 62 78.328 87.644 36.694 1.00 0.00 C ATOM 863 CG LYS A 62 79.168 87.909 35.434 1.00 0.00 C ATOM 864 CD LYS A 62 78.347 88.439 34.250 1.00 0.00 C ATOM 865 CE LYS A 62 77.479 87.397 33.533 1.00 0.00 C ATOM 866 NZ LYS A 62 76.251 87.006 34.269 1.00 0.00 N ATOM 0 H LYS A 62 76.747 86.854 38.406 1.00 0.00 H new ATOM 0 HA LYS A 62 77.931 85.651 36.026 1.00 0.00 H new ATOM 0 HB2 LYS A 62 77.360 88.133 36.585 1.00 0.00 H new ATOM 0 HB3 LYS A 62 78.821 88.100 37.552 1.00 0.00 H new ATOM 0 HG2 LYS A 62 79.951 88.628 35.674 1.00 0.00 H new ATOM 0 HG3 LYS A 62 79.664 86.985 35.137 1.00 0.00 H new ATOM 0 HD2 LYS A 62 77.701 89.241 34.607 1.00 0.00 H new ATOM 0 HD3 LYS A 62 79.030 88.880 33.524 1.00 0.00 H new ATOM 0 HE2 LYS A 62 77.193 87.791 32.558 1.00 0.00 H new ATOM 0 HE3 LYS A 62 78.079 86.505 33.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 75.451 86.956 33.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 76.393 86.076 34.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 76.048 87.712 35.005 1.00 0.00 H new ATOM 880 N ILE A 63 79.140 84.121 37.847 1.00 0.00 N ATOM 881 CA ILE A 63 80.093 83.205 38.488 1.00 0.00 C ATOM 882 C ILE A 63 80.461 82.092 37.487 1.00 0.00 C ATOM 883 O ILE A 63 81.246 82.343 36.570 1.00 0.00 O ATOM 884 CB ILE A 63 79.546 82.702 39.851 1.00 0.00 C ATOM 885 CG1 ILE A 63 78.902 83.789 40.739 1.00 0.00 C ATOM 886 CG2 ILE A 63 80.646 81.978 40.641 1.00 0.00 C ATOM 887 CD1 ILE A 63 79.822 84.914 41.227 1.00 0.00 C ATOM 0 H ILE A 63 78.254 83.660 37.640 1.00 0.00 H new ATOM 0 HA ILE A 63 81.020 83.719 38.741 1.00 0.00 H new ATOM 0 HB ILE A 63 78.741 82.015 39.590 1.00 0.00 H new ATOM 0 HG12 ILE A 63 78.080 84.239 40.183 1.00 0.00 H new ATOM 0 HG13 ILE A 63 78.468 83.302 41.612 1.00 0.00 H new ATOM 0 HG21 ILE A 63 80.243 81.633 41.593 1.00 0.00 H new ATOM 0 HG22 ILE A 63 81.003 81.123 40.067 1.00 0.00 H new ATOM 0 HG23 ILE A 63 81.473 82.663 40.824 1.00 0.00 H new ATOM 0 HD11 ILE A 63 79.251 85.611 41.840 1.00 0.00 H new ATOM 0 HD12 ILE A 63 80.632 84.490 41.820 1.00 0.00 H new ATOM 0 HD13 ILE A 63 80.238 85.442 40.369 1.00 0.00 H new ATOM 987 N LEU A 70 85.527 85.148 37.274 1.00 0.00 N ATOM 988 CA LEU A 70 86.432 84.482 38.230 1.00 0.00 C ATOM 989 C LEU A 70 85.917 83.157 38.846 1.00 0.00 C ATOM 990 O LEU A 70 86.488 82.679 39.825 1.00 0.00 O ATOM 991 CB LEU A 70 86.849 85.491 39.315 1.00 0.00 C ATOM 992 CG LEU A 70 87.693 86.686 38.842 1.00 0.00 C ATOM 993 CD1 LEU A 70 87.874 87.663 40.006 1.00 0.00 C ATOM 994 CD2 LEU A 70 89.085 86.256 38.369 1.00 0.00 C ATOM 0 HA LEU A 70 87.296 84.160 37.648 1.00 0.00 H new ATOM 0 HB2 LEU A 70 85.947 85.876 39.790 1.00 0.00 H new ATOM 0 HB3 LEU A 70 87.410 84.957 40.082 1.00 0.00 H new ATOM 0 HG LEU A 70 87.167 87.148 38.006 1.00 0.00 H new ATOM 0 HD11 LEU A 70 88.472 88.513 39.678 1.00 0.00 H new ATOM 0 HD12 LEU A 70 86.898 88.014 40.342 1.00 0.00 H new ATOM 0 HD13 LEU A 70 88.381 87.159 40.829 1.00 0.00 H new ATOM 0 HD21 LEU A 70 89.646 87.132 38.044 1.00 0.00 H new ATOM 0 HD22 LEU A 70 89.614 85.770 39.189 1.00 0.00 H new ATOM 0 HD23 LEU A 70 88.987 85.559 37.537 1.00 0.00 H new ATOM 1006 N ILE A 71 84.886 82.534 38.264 1.00 0.00 N ATOM 1007 CA ILE A 71 84.450 81.146 38.527 1.00 0.00 C ATOM 1008 C ILE A 71 84.105 80.840 40.012 1.00 0.00 C ATOM 1009 O ILE A 71 83.863 81.755 40.797 1.00 0.00 O ATOM 1010 CB ILE A 71 85.454 80.186 37.806 1.00 0.00 C ATOM 1011 CG1 ILE A 71 84.758 79.048 37.032 1.00 0.00 C ATOM 1012 CG2 ILE A 71 86.561 79.575 38.689 1.00 0.00 C ATOM 1013 CD1 ILE A 71 83.967 79.528 35.806 1.00 0.00 C ATOM 0 H ILE A 71 84.304 82.998 37.566 1.00 0.00 H new ATOM 0 HA ILE A 71 83.467 80.969 38.091 1.00 0.00 H new ATOM 0 HB ILE A 71 85.945 80.867 37.111 1.00 0.00 H new ATOM 0 HG12 ILE A 71 85.510 78.328 36.709 1.00 0.00 H new ATOM 0 HG13 ILE A 71 84.082 78.522 37.706 1.00 0.00 H new ATOM 0 HG21 ILE A 71 87.195 78.928 38.082 1.00 0.00 H new ATOM 0 HG22 ILE A 71 87.165 80.374 39.120 1.00 0.00 H new ATOM 0 HG23 ILE A 71 86.107 78.991 39.489 1.00 0.00 H new ATOM 0 HD11 ILE A 71 83.506 78.672 35.313 1.00 0.00 H new ATOM 0 HD12 ILE A 71 83.192 80.225 36.123 1.00 0.00 H new ATOM 0 HD13 ILE A 71 84.642 80.027 35.111 1.00 0.00 H new ATOM 1025 N ALA A 72 84.029 79.559 40.395 1.00 0.00 N ATOM 1026 CA ALA A 72 83.847 79.064 41.770 1.00 0.00 C ATOM 1027 C ALA A 72 82.496 79.395 42.455 1.00 0.00 C ATOM 1028 O ALA A 72 81.450 79.004 41.930 1.00 0.00 O ATOM 1029 CB ALA A 72 85.103 79.396 42.590 1.00 0.00 C ATOM 0 H ALA A 72 84.096 78.798 39.720 1.00 0.00 H new ATOM 0 HA ALA A 72 83.748 77.980 41.711 1.00 0.00 H new ATOM 0 HB1 ALA A 72 84.978 79.033 43.610 1.00 0.00 H new ATOM 0 HB2 ALA A 72 85.970 78.915 42.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 85.253 80.476 42.605 1.00 0.00 H new ATOM 1035 N GLU A 73 82.515 80.023 43.640 1.00 0.00 N ATOM 1036 CA GLU A 73 81.381 80.213 44.569 1.00 0.00 C ATOM 1037 C GLU A 73 81.144 81.698 44.911 1.00 0.00 C ATOM 1038 O GLU A 73 82.045 82.525 44.772 1.00 0.00 O ATOM 1039 CB GLU A 73 81.588 79.359 45.843 1.00 0.00 C ATOM 1040 CG GLU A 73 82.721 79.842 46.776 1.00 0.00 C ATOM 1041 CD GLU A 73 83.104 78.828 47.874 1.00 0.00 C ATOM 1042 OE1 GLU A 73 83.088 77.602 47.626 1.00 0.00 O ATOM 1043 OE2 GLU A 73 83.517 79.221 48.990 1.00 0.00 O ATOM 0 H GLU A 73 83.373 80.439 44.001 1.00 0.00 H new ATOM 0 HA GLU A 73 80.477 79.871 44.065 1.00 0.00 H new ATOM 0 HB2 GLU A 73 80.655 79.343 46.407 1.00 0.00 H new ATOM 0 HB3 GLU A 73 81.797 78.332 45.544 1.00 0.00 H new ATOM 0 HG2 GLU A 73 83.603 80.062 46.175 1.00 0.00 H new ATOM 0 HG3 GLU A 73 82.416 80.776 47.248 1.00 0.00 H new ATOM 1050 N ILE A 74 79.940 82.054 45.378 1.00 0.00 N ATOM 1051 CA ILE A 74 79.534 83.465 45.552 1.00 0.00 C ATOM 1052 C ILE A 74 80.221 84.119 46.760 1.00 0.00 C ATOM 1053 O ILE A 74 80.589 85.288 46.703 1.00 0.00 O ATOM 1054 CB ILE A 74 77.992 83.581 45.677 1.00 0.00 C ATOM 1055 CG1 ILE A 74 77.256 82.919 44.487 1.00 0.00 C ATOM 1056 CG2 ILE A 74 77.552 85.057 45.781 1.00 0.00 C ATOM 1057 CD1 ILE A 74 75.741 82.794 44.684 1.00 0.00 C ATOM 0 H ILE A 74 79.221 81.382 45.646 1.00 0.00 H new ATOM 0 HA ILE A 74 79.857 84.004 44.662 1.00 0.00 H new ATOM 0 HB ILE A 74 77.719 83.051 46.590 1.00 0.00 H new ATOM 0 HG12 ILE A 74 77.448 83.500 43.585 1.00 0.00 H new ATOM 0 HG13 ILE A 74 77.674 81.926 44.321 1.00 0.00 H new ATOM 0 HG21 ILE A 74 76.467 85.108 45.867 1.00 0.00 H new ATOM 0 HG22 ILE A 74 78.008 85.511 46.661 1.00 0.00 H new ATOM 0 HG23 ILE A 74 77.870 85.595 44.888 1.00 0.00 H new ATOM 0 HD11 ILE A 74 75.298 82.321 43.808 1.00 0.00 H new ATOM 0 HD12 ILE A 74 75.538 82.187 45.566 1.00 0.00 H new ATOM 0 HD13 ILE A 74 75.309 83.785 44.818 1.00 0.00 H new ATOM 1069 N GLU A 75 80.341 83.393 47.875 1.00 0.00 N ATOM 1070 CA GLU A 75 80.968 83.866 49.128 1.00 0.00 C ATOM 1071 C GLU A 75 81.152 82.694 50.102 1.00 0.00 C ATOM 1072 O GLU A 75 82.242 82.486 50.629 1.00 0.00 O ATOM 1073 CB GLU A 75 80.086 84.957 49.787 1.00 0.00 C ATOM 1074 CG GLU A 75 80.741 86.349 49.836 1.00 0.00 C ATOM 1075 CD GLU A 75 81.629 86.578 51.063 1.00 0.00 C ATOM 1076 OE1 GLU A 75 82.118 85.597 51.671 1.00 0.00 O ATOM 1077 OE2 GLU A 75 81.820 87.752 51.450 1.00 0.00 O ATOM 0 H GLU A 75 79.998 82.435 47.940 1.00 0.00 H new ATOM 0 HA GLU A 75 81.944 84.290 48.891 1.00 0.00 H new ATOM 0 HB2 GLU A 75 79.146 85.029 49.240 1.00 0.00 H new ATOM 0 HB3 GLU A 75 79.841 84.647 50.803 1.00 0.00 H new ATOM 0 HG2 GLU A 75 81.340 86.489 48.936 1.00 0.00 H new ATOM 0 HG3 GLU A 75 79.959 87.108 49.820 1.00 0.00 H new ATOM 1084 N LYS A 76 80.083 81.907 50.308 1.00 0.00 N ATOM 1085 CA LYS A 76 80.091 80.623 51.036 1.00 0.00 C ATOM 1086 C LYS A 76 78.829 79.789 50.793 1.00 0.00 C ATOM 1087 O LYS A 76 78.930 78.687 50.269 1.00 0.00 O ATOM 1088 CB LYS A 76 80.385 80.821 52.540 1.00 0.00 C ATOM 1089 CG LYS A 76 79.578 81.913 53.277 1.00 0.00 C ATOM 1090 CD LYS A 76 80.399 82.553 54.408 1.00 0.00 C ATOM 1091 CE LYS A 76 81.483 83.485 53.840 1.00 0.00 C ATOM 1092 NZ LYS A 76 82.364 84.022 54.902 1.00 0.00 N ATOM 0 H LYS A 76 79.156 82.154 49.961 1.00 0.00 H new ATOM 0 HA LYS A 76 80.913 80.039 50.622 1.00 0.00 H new ATOM 0 HB2 LYS A 76 80.211 79.872 53.047 1.00 0.00 H new ATOM 0 HB3 LYS A 76 81.445 81.051 52.650 1.00 0.00 H new ATOM 0 HG2 LYS A 76 79.272 82.682 52.568 1.00 0.00 H new ATOM 0 HG3 LYS A 76 78.667 81.478 53.688 1.00 0.00 H new ATOM 0 HD2 LYS A 76 79.739 83.116 55.068 1.00 0.00 H new ATOM 0 HD3 LYS A 76 80.864 81.773 55.011 1.00 0.00 H new ATOM 0 HE2 LYS A 76 82.084 82.941 53.111 1.00 0.00 H new ATOM 0 HE3 LYS A 76 81.009 84.311 53.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 83.080 84.645 54.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 81.795 84.563 55.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 82.836 83.236 55.392 1.00 0.00 H new ATOM 1106 N ASP A 77 77.652 80.319 51.133 1.00 0.00 N ATOM 1107 CA ASP A 77 76.367 79.593 51.053 1.00 0.00 C ATOM 1108 C ASP A 77 75.155 80.528 50.838 1.00 0.00 C ATOM 1109 O ASP A 77 74.076 80.340 51.411 1.00 0.00 O ATOM 1110 CB ASP A 77 76.215 78.653 52.267 1.00 0.00 C ATOM 1111 CG ASP A 77 76.587 79.279 53.615 1.00 0.00 C ATOM 1112 OD1 ASP A 77 75.836 80.131 54.146 1.00 0.00 O ATOM 1113 OD2 ASP A 77 77.656 78.904 54.147 1.00 0.00 O ATOM 0 H ASP A 77 77.555 81.275 51.476 1.00 0.00 H new ATOM 0 HA ASP A 77 76.384 78.972 50.157 1.00 0.00 H new ATOM 0 HB2 ASP A 77 75.182 78.309 52.315 1.00 0.00 H new ATOM 0 HB3 ASP A 77 76.837 77.773 52.107 1.00 0.00 H new ATOM 1118 N PHE A 78 75.329 81.576 50.022 1.00 0.00 N ATOM 1119 CA PHE A 78 74.335 82.646 49.847 1.00 0.00 C ATOM 1120 C PHE A 78 73.115 82.238 49.014 1.00 0.00 C ATOM 1121 O PHE A 78 72.032 82.128 49.575 1.00 0.00 O ATOM 1122 CB PHE A 78 74.996 83.936 49.347 1.00 0.00 C ATOM 1123 CG PHE A 78 75.502 84.790 50.492 1.00 0.00 C ATOM 1124 CD1 PHE A 78 76.774 84.555 51.050 1.00 0.00 C ATOM 1125 CD2 PHE A 78 74.671 85.787 51.038 1.00 0.00 C ATOM 1126 CE1 PHE A 78 77.220 85.328 52.138 1.00 0.00 C ATOM 1127 CE2 PHE A 78 75.118 86.559 52.123 1.00 0.00 C ATOM 1128 CZ PHE A 78 76.392 86.333 52.670 1.00 0.00 C ATOM 0 H PHE A 78 76.170 81.707 49.460 1.00 0.00 H new ATOM 0 HA PHE A 78 73.925 82.847 50.837 1.00 0.00 H new ATOM 0 HB2 PHE A 78 75.826 83.686 48.686 1.00 0.00 H new ATOM 0 HB3 PHE A 78 74.279 84.507 48.757 1.00 0.00 H new ATOM 0 HD1 PHE A 78 77.407 83.781 50.642 1.00 0.00 H new ATOM 0 HD2 PHE A 78 73.689 85.958 50.622 1.00 0.00 H new ATOM 0 HE1 PHE A 78 78.196 85.150 52.564 1.00 0.00 H new ATOM 0 HE2 PHE A 78 74.482 87.327 52.537 1.00 0.00 H new ATOM 0 HZ PHE A 78 76.736 86.932 53.500 1.00 0.00 H new ATOM 1138 N ALA A 79 73.249 81.976 47.713 1.00 0.00 N ATOM 1139 CA ALA A 79 72.098 81.660 46.853 1.00 0.00 C ATOM 1140 C ALA A 79 71.593 80.205 46.985 1.00 0.00 C ATOM 1141 O ALA A 79 70.639 79.823 46.314 1.00 0.00 O ATOM 1142 CB ALA A 79 72.462 82.017 45.409 1.00 0.00 C ATOM 0 H ALA A 79 74.145 81.975 47.226 1.00 0.00 H new ATOM 0 HA ALA A 79 71.252 82.262 47.186 1.00 0.00 H new ATOM 0 HB1 ALA A 79 71.620 81.790 44.755 1.00 0.00 H new ATOM 0 HB2 ALA A 79 72.695 83.080 45.345 1.00 0.00 H new ATOM 0 HB3 ALA A 79 73.330 81.436 45.098 1.00 0.00 H new ATOM 1148 N LEU A 80 72.238 79.388 47.836 1.00 0.00 N ATOM 1149 CA LEU A 80 72.186 77.916 47.798 1.00 0.00 C ATOM 1150 C LEU A 80 72.625 77.359 46.425 1.00 0.00 C ATOM 1151 O LEU A 80 73.109 78.105 45.568 1.00 0.00 O ATOM 1152 CB LEU A 80 70.812 77.405 48.301 1.00 0.00 C ATOM 1153 CG LEU A 80 70.601 77.561 49.814 1.00 0.00 C ATOM 1154 CD1 LEU A 80 69.119 77.460 50.172 1.00 0.00 C ATOM 1155 CD2 LEU A 80 71.345 76.467 50.582 1.00 0.00 C ATOM 0 H LEU A 80 72.826 79.743 48.590 1.00 0.00 H new ATOM 0 HA LEU A 80 72.921 77.515 48.496 1.00 0.00 H new ATOM 0 HB2 LEU A 80 70.022 77.944 47.777 1.00 0.00 H new ATOM 0 HB3 LEU A 80 70.709 76.352 48.037 1.00 0.00 H new ATOM 0 HG LEU A 80 70.986 78.543 50.091 1.00 0.00 H new ATOM 0 HD11 LEU A 80 68.996 77.574 51.249 1.00 0.00 H new ATOM 0 HD12 LEU A 80 68.566 78.247 49.659 1.00 0.00 H new ATOM 0 HD13 LEU A 80 68.736 76.487 49.864 1.00 0.00 H new ATOM 0 HD21 LEU A 80 71.181 76.598 51.652 1.00 0.00 H new ATOM 0 HD22 LEU A 80 70.973 75.490 50.275 1.00 0.00 H new ATOM 0 HD23 LEU A 80 72.412 76.533 50.368 1.00 0.00 H new ATOM 1167 N TYR A 81 72.559 76.034 46.267 1.00 0.00 N ATOM 1168 CA TYR A 81 72.868 75.280 45.042 1.00 0.00 C ATOM 1169 C TYR A 81 74.174 75.709 44.325 1.00 0.00 C ATOM 1170 O TYR A 81 75.145 76.108 44.979 1.00 0.00 O ATOM 1171 CB TYR A 81 71.592 75.200 44.168 1.00 0.00 C ATOM 1172 CG TYR A 81 71.090 73.777 44.004 1.00 0.00 C ATOM 1173 CD1 TYR A 81 70.551 73.108 45.120 1.00 0.00 C ATOM 1174 CD2 TYR A 81 71.172 73.115 42.761 1.00 0.00 C ATOM 1175 CE1 TYR A 81 70.084 71.788 44.999 1.00 0.00 C ATOM 1176 CE2 TYR A 81 70.712 71.788 42.638 1.00 0.00 C ATOM 1177 CZ TYR A 81 70.163 71.125 43.757 1.00 0.00 C ATOM 1178 OH TYR A 81 69.663 69.866 43.651 1.00 0.00 O ATOM 0 H TYR A 81 72.273 75.422 47.031 1.00 0.00 H new ATOM 0 HA TYR A 81 73.134 74.258 45.311 1.00 0.00 H new ATOM 0 HB2 TYR A 81 70.808 75.809 44.618 1.00 0.00 H new ATOM 0 HB3 TYR A 81 71.801 75.624 43.186 1.00 0.00 H new ATOM 0 HD1 TYR A 81 70.496 73.612 46.074 1.00 0.00 H new ATOM 0 HD2 TYR A 81 71.587 73.625 41.904 1.00 0.00 H new ATOM 0 HE1 TYR A 81 69.665 71.282 45.856 1.00 0.00 H new ATOM 0 HE2 TYR A 81 70.780 71.279 41.688 1.00 0.00 H new ATOM 0 HH TYR A 81 69.789 69.540 42.735 1.00 0.00 H new ATOM 1188 N GLY A 82 74.242 75.574 42.996 1.00 0.00 N ATOM 1189 CA GLY A 82 75.450 75.853 42.213 1.00 0.00 C ATOM 1190 C GLY A 82 76.543 74.792 42.382 1.00 0.00 C ATOM 1191 O GLY A 82 77.725 75.126 42.373 1.00 0.00 O ATOM 0 H GLY A 82 73.452 75.265 42.429 1.00 0.00 H new ATOM 0 HA2 GLY A 82 75.182 75.924 41.159 1.00 0.00 H new ATOM 0 HA3 GLY A 82 75.848 76.824 42.507 1.00 0.00 H new ATOM 1195 N ASP A 83 76.164 73.521 42.549 1.00 0.00 N ATOM 1196 CA ASP A 83 77.059 72.368 42.710 1.00 0.00 C ATOM 1197 C ASP A 83 76.544 71.158 41.904 1.00 0.00 C ATOM 1198 O ASP A 83 75.333 70.918 41.842 1.00 0.00 O ATOM 1199 CB ASP A 83 77.178 72.014 44.200 1.00 0.00 C ATOM 1200 CG ASP A 83 78.174 72.909 44.939 1.00 0.00 C ATOM 1201 OD1 ASP A 83 79.372 72.872 44.577 1.00 0.00 O ATOM 1202 OD2 ASP A 83 77.799 73.598 45.921 1.00 0.00 O ATOM 0 H ASP A 83 75.180 73.255 42.577 1.00 0.00 H new ATOM 0 HA ASP A 83 78.045 72.630 42.325 1.00 0.00 H new ATOM 0 HB2 ASP A 83 76.198 72.102 44.670 1.00 0.00 H new ATOM 0 HB3 ASP A 83 77.487 70.973 44.299 1.00 0.00 H new ATOM 1207 N GLU A 84 77.444 70.390 41.276 1.00 0.00 N ATOM 1208 CA GLU A 84 77.067 69.357 40.294 1.00 0.00 C ATOM 1209 C GLU A 84 76.544 68.061 40.941 1.00 0.00 C ATOM 1210 O GLU A 84 75.643 67.428 40.391 1.00 0.00 O ATOM 1211 CB GLU A 84 78.252 69.048 39.350 1.00 0.00 C ATOM 1212 CG GLU A 84 77.776 68.471 38.004 1.00 0.00 C ATOM 1213 CD GLU A 84 78.894 67.784 37.205 1.00 0.00 C ATOM 1214 OE1 GLU A 84 79.709 68.473 36.540 1.00 0.00 O ATOM 1215 OE2 GLU A 84 78.936 66.533 37.182 1.00 0.00 O ATOM 0 H GLU A 84 78.449 70.464 41.431 1.00 0.00 H new ATOM 0 HA GLU A 84 76.239 69.770 39.717 1.00 0.00 H new ATOM 0 HB2 GLU A 84 78.823 69.960 39.173 1.00 0.00 H new ATOM 0 HB3 GLU A 84 78.925 68.339 39.832 1.00 0.00 H new ATOM 0 HG2 GLU A 84 76.977 67.753 38.187 1.00 0.00 H new ATOM 0 HG3 GLU A 84 77.351 69.275 37.403 1.00 0.00 H new ATOM 1222 N SER A 85 77.093 67.642 42.087 1.00 0.00 N ATOM 1223 CA SER A 85 76.809 66.322 42.680 1.00 0.00 C ATOM 1224 C SER A 85 77.050 66.257 44.193 1.00 0.00 C ATOM 1225 O SER A 85 76.172 65.840 44.948 1.00 0.00 O ATOM 1226 CB SER A 85 77.693 65.295 41.955 1.00 0.00 C ATOM 1227 OG SER A 85 77.812 64.067 42.650 1.00 0.00 O ATOM 0 H SER A 85 77.746 68.205 42.632 1.00 0.00 H new ATOM 0 HA SER A 85 75.748 66.110 42.551 1.00 0.00 H new ATOM 0 HB2 SER A 85 77.279 65.105 40.965 1.00 0.00 H new ATOM 0 HB3 SER A 85 78.686 65.720 41.810 1.00 0.00 H new ATOM 0 HG SER A 85 78.384 63.456 42.139 1.00 0.00 H new ATOM 1233 N VAL A 86 78.246 66.652 44.645 1.00 0.00 N ATOM 1234 CA VAL A 86 78.730 66.639 46.045 1.00 0.00 C ATOM 1235 C VAL A 86 78.696 65.263 46.755 1.00 0.00 C ATOM 1236 O VAL A 86 79.130 65.157 47.906 1.00 0.00 O ATOM 1237 CB VAL A 86 78.079 67.765 46.895 1.00 0.00 C ATOM 1238 CG1 VAL A 86 79.034 68.266 47.992 1.00 0.00 C ATOM 1239 CG2 VAL A 86 77.721 69.021 46.087 1.00 0.00 C ATOM 0 H VAL A 86 78.954 67.014 44.006 1.00 0.00 H new ATOM 0 HA VAL A 86 79.795 66.854 45.961 1.00 0.00 H new ATOM 0 HB VAL A 86 77.180 67.298 47.296 1.00 0.00 H new ATOM 0 HG11 VAL A 86 78.546 69.053 48.567 1.00 0.00 H new ATOM 0 HG12 VAL A 86 79.293 67.440 48.654 1.00 0.00 H new ATOM 0 HG13 VAL A 86 79.940 68.661 47.533 1.00 0.00 H new ATOM 0 HG21 VAL A 86 77.271 69.762 46.747 1.00 0.00 H new ATOM 0 HG22 VAL A 86 78.624 69.435 45.639 1.00 0.00 H new ATOM 0 HG23 VAL A 86 77.013 68.758 45.301 1.00 0.00 H new ATOM 1249 N PHE A 87 78.274 64.192 46.067 1.00 0.00 N ATOM 1250 CA PHE A 87 77.938 62.862 46.608 1.00 0.00 C ATOM 1251 C PHE A 87 76.745 62.853 47.590 1.00 0.00 C ATOM 1252 O PHE A 87 76.497 63.812 48.331 1.00 0.00 O ATOM 1253 CB PHE A 87 79.186 62.149 47.179 1.00 0.00 C ATOM 1254 CG PHE A 87 79.590 60.890 46.435 1.00 0.00 C ATOM 1255 CD1 PHE A 87 78.920 59.675 46.680 1.00 0.00 C ATOM 1256 CD2 PHE A 87 80.641 60.930 45.500 1.00 0.00 C ATOM 1257 CE1 PHE A 87 79.282 58.515 45.971 1.00 0.00 C ATOM 1258 CE2 PHE A 87 81.019 59.765 44.808 1.00 0.00 C ATOM 1259 CZ PHE A 87 80.336 58.559 45.040 1.00 0.00 C ATOM 0 H PHE A 87 78.150 64.231 45.055 1.00 0.00 H new ATOM 0 HA PHE A 87 77.587 62.281 45.756 1.00 0.00 H new ATOM 0 HB2 PHE A 87 80.024 62.846 47.168 1.00 0.00 H new ATOM 0 HB3 PHE A 87 78.997 61.894 48.222 1.00 0.00 H new ATOM 0 HD1 PHE A 87 78.128 59.634 47.413 1.00 0.00 H new ATOM 0 HD2 PHE A 87 81.159 61.859 45.313 1.00 0.00 H new ATOM 0 HE1 PHE A 87 78.751 57.590 46.141 1.00 0.00 H new ATOM 0 HE2 PHE A 87 81.833 59.797 44.099 1.00 0.00 H new ATOM 0 HZ PHE A 87 80.620 57.666 44.504 1.00 0.00 H new ATOM 1269 N GLY A 88 76.025 61.727 47.645 1.00 0.00 N ATOM 1270 CA GLY A 88 74.870 61.530 48.531 1.00 0.00 C ATOM 1271 C GLY A 88 74.416 60.074 48.715 1.00 0.00 C ATOM 1272 O GLY A 88 75.037 59.127 48.211 1.00 0.00 O ATOM 0 H GLY A 88 76.231 60.913 47.066 1.00 0.00 H new ATOM 0 HA2 GLY A 88 75.111 61.943 49.510 1.00 0.00 H new ATOM 0 HA3 GLY A 88 74.032 62.107 48.140 1.00 0.00 H new