USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 382 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -26:sc= 0.368 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -0.0135 (180deg=-0.0788) USER MOD Single : A 43 LYS NZ :NH3+ 153:sc= -0.028 (180deg=-0.395) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -0.0189 X(o=-0.019,f=0) USER MOD Single : A 59 SER OG : rot 76:sc= 1.26 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0214) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 100 N PHE A 9 65.289 7.788 53.761 1.00 0.00 N ATOM 101 CA PHE A 9 64.374 8.720 53.110 1.00 0.00 C ATOM 102 C PHE A 9 64.545 10.129 53.669 1.00 0.00 C ATOM 103 O PHE A 9 64.229 11.115 53.005 1.00 0.00 O ATOM 104 CB PHE A 9 62.927 8.258 53.292 1.00 0.00 C ATOM 105 CG PHE A 9 62.179 8.109 51.998 1.00 0.00 C ATOM 106 CD1 PHE A 9 62.581 7.178 51.054 1.00 0.00 C ATOM 107 CD2 PHE A 9 61.074 8.898 51.727 1.00 0.00 C ATOM 108 CE1 PHE A 9 61.895 7.037 49.863 1.00 0.00 C ATOM 109 CE2 PHE A 9 60.383 8.762 50.537 1.00 0.00 C ATOM 110 CZ PHE A 9 60.794 7.831 49.604 1.00 0.00 C ATOM 0 HA PHE A 9 64.610 8.739 52.046 1.00 0.00 H new ATOM 0 HB2 PHE A 9 62.922 7.303 53.817 1.00 0.00 H new ATOM 0 HB3 PHE A 9 62.402 8.973 53.926 1.00 0.00 H new ATOM 0 HD1 PHE A 9 63.441 6.555 51.251 1.00 0.00 H new ATOM 0 HD2 PHE A 9 60.748 9.628 52.453 1.00 0.00 H new ATOM 0 HE1 PHE A 9 62.219 6.307 49.136 1.00 0.00 H new ATOM 0 HE2 PHE A 9 59.523 9.384 50.338 1.00 0.00 H new ATOM 0 HZ PHE A 9 60.256 7.723 48.674 1.00 0.00 H new ATOM 119 N GLY A 10 65.046 10.215 54.898 1.00 0.00 N ATOM 120 CA GLY A 10 65.251 11.508 55.527 1.00 0.00 C ATOM 121 C GLY A 10 66.145 12.416 54.709 1.00 0.00 C ATOM 122 O GLY A 10 65.756 13.530 54.360 1.00 0.00 O ATOM 0 H GLY A 10 65.313 9.413 55.469 1.00 0.00 H new ATOM 0 HA2 GLY A 10 64.286 11.993 55.677 1.00 0.00 H new ATOM 0 HA3 GLY A 10 65.691 11.363 56.513 1.00 0.00 H new ATOM 126 N GLU A 11 67.348 11.941 54.404 1.00 0.00 N ATOM 127 CA GLU A 11 68.302 12.720 53.623 1.00 0.00 C ATOM 128 C GLU A 11 67.671 13.207 52.321 1.00 0.00 C ATOM 129 O GLU A 11 67.717 14.396 52.000 1.00 0.00 O ATOM 130 CB GLU A 11 69.549 11.887 53.318 1.00 0.00 C ATOM 131 CG GLU A 11 70.828 12.474 53.890 1.00 0.00 C ATOM 132 CD GLU A 11 71.956 12.510 52.878 1.00 0.00 C ATOM 133 OE1 GLU A 11 72.048 13.503 52.126 1.00 0.00 O ATOM 134 OE2 GLU A 11 72.749 11.546 52.838 1.00 0.00 O ATOM 0 H GLU A 11 67.685 11.021 54.686 1.00 0.00 H new ATOM 0 HA GLU A 11 68.591 13.589 54.214 1.00 0.00 H new ATOM 0 HB2 GLU A 11 69.411 10.882 53.716 1.00 0.00 H new ATOM 0 HB3 GLU A 11 69.655 11.790 52.238 1.00 0.00 H new ATOM 0 HG2 GLU A 11 70.632 13.485 54.246 1.00 0.00 H new ATOM 0 HG3 GLU A 11 71.138 11.886 54.754 1.00 0.00 H new ATOM 139 N LYS A 12 67.081 12.279 51.574 1.00 0.00 N ATOM 140 CA LYS A 12 66.441 12.611 50.307 1.00 0.00 C ATOM 141 C LYS A 12 65.317 13.623 50.513 1.00 0.00 C ATOM 142 O LYS A 12 65.196 14.590 49.765 1.00 0.00 O ATOM 143 CB LYS A 12 65.886 11.346 49.645 1.00 0.00 C ATOM 144 CG LYS A 12 66.884 10.204 49.588 1.00 0.00 C ATOM 145 CD LYS A 12 66.836 9.489 48.248 1.00 0.00 C ATOM 146 CE LYS A 12 67.194 8.017 48.388 1.00 0.00 C ATOM 147 NZ LYS A 12 66.827 7.239 47.174 1.00 0.00 N ATOM 0 H LYS A 12 67.033 11.291 51.825 1.00 0.00 H new ATOM 0 HA LYS A 12 67.193 13.056 49.655 1.00 0.00 H new ATOM 0 HB2 LYS A 12 65.002 11.018 50.191 1.00 0.00 H new ATOM 0 HB3 LYS A 12 65.564 11.587 48.632 1.00 0.00 H new ATOM 0 HG2 LYS A 12 67.889 10.589 49.760 1.00 0.00 H new ATOM 0 HG3 LYS A 12 66.673 9.494 50.388 1.00 0.00 H new ATOM 0 HD2 LYS A 12 65.838 9.583 47.820 1.00 0.00 H new ATOM 0 HD3 LYS A 12 67.527 9.968 47.554 1.00 0.00 H new ATOM 0 HE2 LYS A 12 68.264 7.919 48.572 1.00 0.00 H new ATOM 0 HE3 LYS A 12 66.682 7.600 49.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 67.087 6.241 47.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 65.802 7.311 47.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 67.335 7.620 46.351 1.00 0.00 H new ATOM 157 N ALA A 13 64.501 13.392 51.536 1.00 0.00 N ATOM 158 CA ALA A 13 63.391 14.285 51.844 1.00 0.00 C ATOM 159 C ALA A 13 63.866 15.730 51.967 1.00 0.00 C ATOM 160 O ALA A 13 63.324 16.628 51.324 1.00 0.00 O ATOM 161 CB ALA A 13 62.697 13.845 53.125 1.00 0.00 C ATOM 0 H ALA A 13 64.588 12.594 52.165 1.00 0.00 H new ATOM 0 HA ALA A 13 62.678 14.233 51.022 1.00 0.00 H new ATOM 0 HB1 ALA A 13 61.870 14.522 53.342 1.00 0.00 H new ATOM 0 HB2 ALA A 13 62.314 12.832 53.002 1.00 0.00 H new ATOM 0 HB3 ALA A 13 63.409 13.866 53.950 1.00 0.00 H new ATOM 167 N SER A 14 64.881 15.945 52.798 1.00 0.00 N ATOM 168 CA SER A 14 65.427 17.281 53.008 1.00 0.00 C ATOM 169 C SER A 14 65.997 17.845 51.711 1.00 0.00 C ATOM 170 O SER A 14 66.038 19.059 51.515 1.00 0.00 O ATOM 171 CB SER A 14 66.513 17.247 54.085 1.00 0.00 C ATOM 172 OG SER A 14 66.031 17.766 55.311 1.00 0.00 O ATOM 0 H SER A 14 65.342 15.212 53.337 1.00 0.00 H new ATOM 0 HA SER A 14 64.617 17.930 53.340 1.00 0.00 H new ATOM 0 HB2 SER A 14 66.854 16.222 54.230 1.00 0.00 H new ATOM 0 HB3 SER A 14 67.375 17.827 53.755 1.00 0.00 H new ATOM 0 HG SER A 14 66.743 17.732 55.983 1.00 0.00 H new ATOM 177 N GLU A 15 66.439 16.953 50.828 1.00 0.00 N ATOM 178 CA GLU A 15 67.007 17.363 49.550 1.00 0.00 C ATOM 179 C GLU A 15 65.909 17.738 48.560 1.00 0.00 C ATOM 180 O GLU A 15 66.081 18.635 47.736 1.00 0.00 O ATOM 181 CB GLU A 15 67.873 16.242 48.969 1.00 0.00 C ATOM 182 CG GLU A 15 69.220 16.095 49.655 1.00 0.00 C ATOM 183 CD GLU A 15 70.381 16.168 48.682 1.00 0.00 C ATOM 184 OE1 GLU A 15 70.300 15.523 47.615 1.00 0.00 O ATOM 185 OE2 GLU A 15 71.370 16.867 48.987 1.00 0.00 O ATOM 0 H GLU A 15 66.414 15.944 50.975 1.00 0.00 H new ATOM 0 HA GLU A 15 67.629 18.241 49.723 1.00 0.00 H new ATOM 0 HB2 GLU A 15 67.331 15.299 49.045 1.00 0.00 H new ATOM 0 HB3 GLU A 15 68.034 16.432 47.908 1.00 0.00 H new ATOM 0 HG2 GLU A 15 69.329 16.879 50.405 1.00 0.00 H new ATOM 0 HG3 GLU A 15 69.253 15.142 50.183 1.00 0.00 H new ATOM 190 N ALA A 16 64.781 17.042 48.647 1.00 0.00 N ATOM 191 CA ALA A 16 63.653 17.302 47.759 1.00 0.00 C ATOM 192 C ALA A 16 63.084 18.696 47.989 1.00 0.00 C ATOM 193 O ALA A 16 62.979 19.497 47.059 1.00 0.00 O ATOM 194 CB ALA A 16 62.572 16.249 47.958 1.00 0.00 C ATOM 0 H ALA A 16 64.623 16.294 49.322 1.00 0.00 H new ATOM 0 HA ALA A 16 64.012 17.250 46.731 1.00 0.00 H new ATOM 0 HB1 ALA A 16 61.736 16.455 47.289 1.00 0.00 H new ATOM 0 HB2 ALA A 16 62.980 15.263 47.736 1.00 0.00 H new ATOM 0 HB3 ALA A 16 62.225 16.274 48.991 1.00 0.00 H new ATOM 200 N LEU A 17 62.718 18.985 49.234 1.00 0.00 N ATOM 201 CA LEU A 17 62.158 20.284 49.586 1.00 0.00 C ATOM 202 C LEU A 17 63.118 21.410 49.214 1.00 0.00 C ATOM 203 O LEU A 17 62.702 22.457 48.718 1.00 0.00 O ATOM 204 CB LEU A 17 61.847 20.339 51.083 1.00 0.00 C ATOM 205 CG LEU A 17 63.048 20.229 52.023 1.00 0.00 C ATOM 206 CD1 LEU A 17 63.626 21.606 52.313 1.00 0.00 C ATOM 207 CD2 LEU A 17 62.653 19.533 53.315 1.00 0.00 C ATOM 0 H LEU A 17 62.800 18.336 50.016 1.00 0.00 H new ATOM 0 HA LEU A 17 61.234 20.418 49.023 1.00 0.00 H new ATOM 0 HB2 LEU A 17 61.332 21.277 51.292 1.00 0.00 H new ATOM 0 HB3 LEU A 17 61.151 19.534 51.319 1.00 0.00 H new ATOM 0 HG LEU A 17 63.815 19.630 51.532 1.00 0.00 H new ATOM 0 HD11 LEU A 17 64.480 21.508 52.984 1.00 0.00 H new ATOM 0 HD12 LEU A 17 63.948 22.069 51.380 1.00 0.00 H new ATOM 0 HD13 LEU A 17 62.865 22.228 52.783 1.00 0.00 H new ATOM 0 HD21 LEU A 17 63.521 19.464 53.971 1.00 0.00 H new ATOM 0 HD22 LEU A 17 61.868 20.104 53.811 1.00 0.00 H new ATOM 0 HD23 LEU A 17 62.287 18.531 53.091 1.00 0.00 H new ATOM 218 N LYS A 18 64.405 21.184 49.451 1.00 0.00 N ATOM 219 CA LYS A 18 65.427 22.177 49.138 1.00 0.00 C ATOM 220 C LYS A 18 65.617 22.306 47.629 1.00 0.00 C ATOM 221 O LYS A 18 65.251 21.419 46.856 1.00 0.00 O ATOM 222 CB LYS A 18 66.754 21.800 49.799 1.00 0.00 C ATOM 223 CG LYS A 18 67.116 22.679 50.982 1.00 0.00 C ATOM 224 CD LYS A 18 68.572 23.109 50.935 1.00 0.00 C ATOM 225 CE LYS A 18 68.797 24.407 51.695 1.00 0.00 C ATOM 226 NZ LYS A 18 69.910 25.204 51.116 1.00 0.00 N ATOM 0 H LYS A 18 64.766 20.322 49.859 1.00 0.00 H new ATOM 0 HA LYS A 18 65.094 23.139 49.528 1.00 0.00 H new ATOM 0 HB2 LYS A 18 66.703 20.763 50.130 1.00 0.00 H new ATOM 0 HB3 LYS A 18 67.550 21.859 49.056 1.00 0.00 H new ATOM 0 HG2 LYS A 18 66.476 23.561 50.990 1.00 0.00 H new ATOM 0 HG3 LYS A 18 66.925 22.139 51.909 1.00 0.00 H new ATOM 0 HD2 LYS A 18 69.198 22.324 51.361 1.00 0.00 H new ATOM 0 HD3 LYS A 18 68.881 23.236 49.898 1.00 0.00 H new ATOM 0 HE2 LYS A 18 67.882 24.999 51.681 1.00 0.00 H new ATOM 0 HE3 LYS A 18 69.016 24.183 52.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 70.031 26.080 51.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 70.789 24.650 51.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 69.690 25.440 50.127 1.00 0.00 H new ATOM 311 N TYR A 25 61.699 17.757 38.023 1.00 0.00 N ATOM 312 CA TYR A 25 60.632 16.777 37.853 1.00 0.00 C ATOM 313 C TYR A 25 60.602 15.798 39.022 1.00 0.00 C ATOM 314 O TYR A 25 59.555 15.245 39.357 1.00 0.00 O ATOM 315 CB TYR A 25 60.813 16.017 36.539 1.00 0.00 C ATOM 316 CG TYR A 25 59.692 16.239 35.550 1.00 0.00 C ATOM 317 CD1 TYR A 25 58.424 15.724 35.781 1.00 0.00 C ATOM 318 CD2 TYR A 25 59.902 16.968 34.386 1.00 0.00 C ATOM 319 CE1 TYR A 25 57.395 15.925 34.879 1.00 0.00 C ATOM 320 CE2 TYR A 25 58.880 17.175 33.479 1.00 0.00 C ATOM 321 CZ TYR A 25 57.630 16.651 33.730 1.00 0.00 C ATOM 322 OH TYR A 25 56.609 16.854 32.830 1.00 0.00 O ATOM 0 HA TYR A 25 59.682 17.311 37.826 1.00 0.00 H new ATOM 0 HB2 TYR A 25 61.755 16.319 36.081 1.00 0.00 H new ATOM 0 HB3 TYR A 25 60.891 14.951 36.754 1.00 0.00 H new ATOM 0 HD1 TYR A 25 58.238 15.156 36.681 1.00 0.00 H new ATOM 0 HD2 TYR A 25 60.880 17.380 34.187 1.00 0.00 H new ATOM 0 HE1 TYR A 25 56.414 15.516 35.073 1.00 0.00 H new ATOM 0 HE2 TYR A 25 59.060 17.744 32.579 1.00 0.00 H new ATOM 0 HH TYR A 25 56.939 17.385 32.076 1.00 0.00 H new ATOM 331 N ALA A 26 61.760 15.587 39.639 1.00 0.00 N ATOM 332 CA ALA A 26 61.868 14.676 40.772 1.00 0.00 C ATOM 333 C ALA A 26 60.823 14.996 41.835 1.00 0.00 C ATOM 334 O ALA A 26 60.142 14.102 42.337 1.00 0.00 O ATOM 335 CB ALA A 26 63.267 14.738 41.369 1.00 0.00 C ATOM 0 H ALA A 26 62.637 16.035 39.373 1.00 0.00 H new ATOM 0 HA ALA A 26 61.684 13.664 40.411 1.00 0.00 H new ATOM 0 HB1 ALA A 26 63.333 14.053 42.214 1.00 0.00 H new ATOM 0 HB2 ALA A 26 63.998 14.453 40.613 1.00 0.00 H new ATOM 0 HB3 ALA A 26 63.473 15.753 41.708 1.00 0.00 H new ATOM 341 N GLU A 27 60.702 16.275 42.173 1.00 0.00 N ATOM 342 CA GLU A 27 59.739 16.711 43.178 1.00 0.00 C ATOM 343 C GLU A 27 58.328 16.758 42.597 1.00 0.00 C ATOM 344 O GLU A 27 57.358 16.418 43.273 1.00 0.00 O ATOM 345 CB GLU A 27 60.126 18.088 43.722 1.00 0.00 C ATOM 346 CG GLU A 27 60.029 18.194 45.235 1.00 0.00 C ATOM 347 CD GLU A 27 58.663 18.655 45.702 1.00 0.00 C ATOM 348 OE1 GLU A 27 58.038 19.475 44.994 1.00 0.00 O ATOM 349 OE2 GLU A 27 58.216 18.199 46.774 1.00 0.00 O ATOM 0 H GLU A 27 61.258 17.027 41.766 1.00 0.00 H new ATOM 0 HA GLU A 27 59.752 15.989 43.994 1.00 0.00 H new ATOM 0 HB2 GLU A 27 61.146 18.317 43.415 1.00 0.00 H new ATOM 0 HB3 GLU A 27 59.481 18.842 43.271 1.00 0.00 H new ATOM 0 HG2 GLU A 27 60.252 17.223 45.678 1.00 0.00 H new ATOM 0 HG3 GLU A 27 60.786 18.890 45.596 1.00 0.00 H new ATOM 354 N GLN A 28 58.227 17.183 41.342 1.00 0.00 N ATOM 355 CA GLN A 28 56.936 17.276 40.671 1.00 0.00 C ATOM 356 C GLN A 28 56.199 15.941 40.721 1.00 0.00 C ATOM 357 O GLN A 28 55.039 15.876 41.128 1.00 0.00 O ATOM 358 CB GLN A 28 57.124 17.713 39.217 1.00 0.00 C ATOM 359 CG GLN A 28 57.888 19.019 39.067 1.00 0.00 C ATOM 360 CD GLN A 28 57.755 19.617 37.682 1.00 0.00 C ATOM 361 OE1 GLN A 28 58.671 19.527 36.863 1.00 0.00 O ATOM 362 NE2 GLN A 28 56.611 20.236 37.411 1.00 0.00 N ATOM 0 H GLN A 28 59.022 17.468 40.770 1.00 0.00 H new ATOM 0 HA GLN A 28 56.336 18.022 41.193 1.00 0.00 H new ATOM 0 HB2 GLN A 28 57.653 16.928 38.676 1.00 0.00 H new ATOM 0 HB3 GLN A 28 56.145 17.819 38.749 1.00 0.00 H new ATOM 0 HG2 GLN A 28 57.524 19.735 39.804 1.00 0.00 H new ATOM 0 HG3 GLN A 28 58.942 18.846 39.284 1.00 0.00 H new ATOM 0 HE21 GLN A 28 55.879 20.287 38.119 1.00 0.00 H new ATOM 0 HE22 GLN A 28 56.465 20.660 36.495 1.00 0.00 H new ATOM 369 N GLY A 29 56.879 14.878 40.305 1.00 0.00 N ATOM 370 CA GLY A 29 56.273 13.560 40.312 1.00 0.00 C ATOM 371 C GLY A 29 55.859 13.118 41.701 1.00 0.00 C ATOM 372 O GLY A 29 54.712 12.732 41.923 1.00 0.00 O ATOM 0 H GLY A 29 57.840 14.906 39.963 1.00 0.00 H new ATOM 0 HA2 GLY A 29 55.400 13.562 39.660 1.00 0.00 H new ATOM 0 HA3 GLY A 29 56.977 12.838 39.899 1.00 0.00 H new ATOM 376 N LYS A 30 56.799 13.171 42.640 1.00 0.00 N ATOM 377 CA LYS A 30 56.529 12.773 44.017 1.00 0.00 C ATOM 378 C LYS A 30 55.273 13.459 44.545 1.00 0.00 C ATOM 379 O LYS A 30 54.345 12.801 45.013 1.00 0.00 O ATOM 380 CB LYS A 30 57.722 13.112 44.912 1.00 0.00 C ATOM 381 CG LYS A 30 59.008 12.417 44.498 1.00 0.00 C ATOM 382 CD LYS A 30 60.230 13.127 45.055 1.00 0.00 C ATOM 383 CE LYS A 30 60.780 12.415 46.281 1.00 0.00 C ATOM 384 NZ LYS A 30 60.141 12.896 47.536 1.00 0.00 N ATOM 0 H LYS A 30 57.755 13.486 42.472 1.00 0.00 H new ATOM 0 HA LYS A 30 56.367 11.695 44.032 1.00 0.00 H new ATOM 0 HB2 LYS A 30 57.881 14.190 44.899 1.00 0.00 H new ATOM 0 HB3 LYS A 30 57.485 12.837 45.940 1.00 0.00 H new ATOM 0 HG2 LYS A 30 58.994 11.385 44.849 1.00 0.00 H new ATOM 0 HG3 LYS A 30 59.070 12.383 43.410 1.00 0.00 H new ATOM 0 HD2 LYS A 30 61.002 13.180 44.287 1.00 0.00 H new ATOM 0 HD3 LYS A 30 59.968 14.153 45.316 1.00 0.00 H new ATOM 0 HE2 LYS A 30 60.619 11.342 46.180 1.00 0.00 H new ATOM 0 HE3 LYS A 30 61.857 12.572 46.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 60.543 12.386 48.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 60.316 13.915 47.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 59.116 12.723 47.492 1.00 0.00 H new ATOM 394 N GLU A 31 55.252 14.787 44.466 1.00 0.00 N ATOM 395 CA GLU A 31 54.108 15.561 44.936 1.00 0.00 C ATOM 396 C GLU A 31 52.841 15.175 44.179 1.00 0.00 C ATOM 397 O GLU A 31 51.734 15.275 44.709 1.00 0.00 O ATOM 398 CB GLU A 31 54.378 17.059 44.772 1.00 0.00 C ATOM 399 CG GLU A 31 55.527 17.568 45.626 1.00 0.00 C ATOM 400 CD GLU A 31 55.327 17.287 47.101 1.00 0.00 C ATOM 401 OE1 GLU A 31 55.738 16.201 47.561 1.00 0.00 O ATOM 402 OE2 GLU A 31 54.760 18.155 47.799 1.00 0.00 O ATOM 0 H GLU A 31 56.012 15.348 44.082 1.00 0.00 H new ATOM 0 HA GLU A 31 53.960 15.338 45.993 1.00 0.00 H new ATOM 0 HB2 GLU A 31 54.595 17.268 43.724 1.00 0.00 H new ATOM 0 HB3 GLU A 31 53.474 17.612 45.027 1.00 0.00 H new ATOM 0 HG2 GLU A 31 56.455 17.103 45.294 1.00 0.00 H new ATOM 0 HG3 GLU A 31 55.638 18.642 45.476 1.00 0.00 H new ATOM 407 N TYR A 32 53.012 14.734 42.939 1.00 0.00 N ATOM 408 CA TYR A 32 51.882 14.336 42.107 1.00 0.00 C ATOM 409 C TYR A 32 51.134 13.162 42.731 1.00 0.00 C ATOM 410 O TYR A 32 49.919 13.221 42.932 1.00 0.00 O ATOM 411 CB TYR A 32 52.362 13.960 40.703 1.00 0.00 C ATOM 412 CG TYR A 32 51.237 13.733 39.720 1.00 0.00 C ATOM 413 CD1 TYR A 32 50.536 12.534 39.700 1.00 0.00 C ATOM 414 CD2 TYR A 32 50.873 14.719 38.810 1.00 0.00 C ATOM 415 CE1 TYR A 32 49.508 12.321 38.801 1.00 0.00 C ATOM 416 CE2 TYR A 32 49.846 14.516 37.909 1.00 0.00 C ATOM 417 CZ TYR A 32 49.167 13.315 37.910 1.00 0.00 C ATOM 418 OH TYR A 32 48.142 13.109 37.014 1.00 0.00 O ATOM 0 H TYR A 32 53.922 14.643 42.487 1.00 0.00 H new ATOM 0 HA TYR A 32 51.200 15.183 42.036 1.00 0.00 H new ATOM 0 HB2 TYR A 32 53.009 14.751 40.325 1.00 0.00 H new ATOM 0 HB3 TYR A 32 52.967 13.056 40.765 1.00 0.00 H new ATOM 0 HD1 TYR A 32 50.799 11.754 40.399 1.00 0.00 H new ATOM 0 HD2 TYR A 32 51.403 15.660 38.808 1.00 0.00 H new ATOM 0 HE1 TYR A 32 48.975 11.381 38.797 1.00 0.00 H new ATOM 0 HE2 TYR A 32 49.576 15.292 37.208 1.00 0.00 H new ATOM 0 HH TYR A 32 48.028 13.908 36.458 1.00 0.00 H new ATOM 427 N ILE A 33 51.867 12.097 43.036 1.00 0.00 N ATOM 428 CA ILE A 33 51.274 10.909 43.640 1.00 0.00 C ATOM 429 C ILE A 33 50.536 11.257 44.928 1.00 0.00 C ATOM 430 O ILE A 33 49.354 10.951 45.083 1.00 0.00 O ATOM 431 CB ILE A 33 52.339 9.840 43.943 1.00 0.00 C ATOM 432 CG1 ILE A 33 53.234 9.618 42.722 1.00 0.00 C ATOM 433 CG2 ILE A 33 51.678 8.536 44.366 1.00 0.00 C ATOM 434 CD1 ILE A 33 54.653 10.106 42.915 1.00 0.00 C ATOM 0 H ILE A 33 52.872 12.032 42.875 1.00 0.00 H new ATOM 0 HA ILE A 33 50.565 10.507 42.916 1.00 0.00 H new ATOM 0 HB ILE A 33 52.960 10.193 44.766 1.00 0.00 H new ATOM 0 HG12 ILE A 33 53.253 8.554 42.485 1.00 0.00 H new ATOM 0 HG13 ILE A 33 52.797 10.128 41.864 1.00 0.00 H new ATOM 0 HG21 ILE A 33 52.445 7.791 44.577 1.00 0.00 H new ATOM 0 HG22 ILE A 33 51.081 8.705 45.262 1.00 0.00 H new ATOM 0 HG23 ILE A 33 51.034 8.177 43.563 1.00 0.00 H new ATOM 0 HD11 ILE A 33 55.229 9.916 42.010 1.00 0.00 H new ATOM 0 HD12 ILE A 33 54.645 11.176 43.122 1.00 0.00 H new ATOM 0 HD13 ILE A 33 55.109 9.578 43.753 1.00 0.00 H new ATOM 445 N THR A 34 51.243 11.900 45.853 1.00 0.00 N ATOM 446 CA THR A 34 50.656 12.291 47.128 1.00 0.00 C ATOM 447 C THR A 34 49.322 12.999 46.926 1.00 0.00 C ATOM 448 O THR A 34 48.327 12.663 47.569 1.00 0.00 O ATOM 449 CB THR A 34 51.600 13.217 47.920 1.00 0.00 C ATOM 450 OG1 THR A 34 51.922 14.372 47.139 1.00 0.00 O ATOM 451 CG2 THR A 34 52.877 12.485 48.304 1.00 0.00 C ATOM 0 H THR A 34 52.223 12.161 45.742 1.00 0.00 H new ATOM 0 HA THR A 34 50.495 11.375 47.696 1.00 0.00 H new ATOM 0 HB THR A 34 51.089 13.527 48.832 1.00 0.00 H new ATOM 0 HG1 THR A 34 51.847 14.154 46.186 1.00 0.00 H new ATOM 0 HG21 THR A 34 53.528 13.158 48.862 1.00 0.00 H new ATOM 0 HG22 THR A 34 52.630 11.623 48.923 1.00 0.00 H new ATOM 0 HG23 THR A 34 53.389 12.149 47.402 1.00 0.00 H new ATOM 459 N ASP A 35 49.306 13.979 46.028 1.00 0.00 N ATOM 460 CA ASP A 35 48.092 14.731 45.739 1.00 0.00 C ATOM 461 C ASP A 35 46.958 13.798 45.326 1.00 0.00 C ATOM 462 O ASP A 35 45.794 14.037 45.648 1.00 0.00 O ATOM 463 CB ASP A 35 48.352 15.757 44.635 1.00 0.00 C ATOM 464 CG ASP A 35 47.670 17.084 44.905 1.00 0.00 C ATOM 465 OD1 ASP A 35 46.584 17.079 45.522 1.00 0.00 O ATOM 466 OD2 ASP A 35 48.224 18.128 44.499 1.00 0.00 O ATOM 0 H ASP A 35 50.121 14.270 45.488 1.00 0.00 H new ATOM 0 HA ASP A 35 47.795 15.254 46.648 1.00 0.00 H new ATOM 0 HB2 ASP A 35 49.426 15.917 44.537 1.00 0.00 H new ATOM 0 HB3 ASP A 35 48.001 15.359 43.683 1.00 0.00 H new ATOM 470 N LYS A 36 47.306 12.735 44.610 1.00 0.00 N ATOM 471 CA LYS A 36 46.318 11.763 44.152 1.00 0.00 C ATOM 472 C LYS A 36 45.800 10.924 45.316 1.00 0.00 C ATOM 473 O LYS A 36 44.600 10.672 45.425 1.00 0.00 O ATOM 474 CB LYS A 36 46.927 10.852 43.084 1.00 0.00 C ATOM 475 CG LYS A 36 47.325 11.585 41.815 1.00 0.00 C ATOM 476 CD LYS A 36 46.237 11.500 40.757 1.00 0.00 C ATOM 477 CE LYS A 36 46.426 10.286 39.860 1.00 0.00 C ATOM 478 NZ LYS A 36 45.207 9.996 39.054 1.00 0.00 N ATOM 0 H LYS A 36 48.265 12.524 44.334 1.00 0.00 H new ATOM 0 HA LYS A 36 45.480 12.310 43.720 1.00 0.00 H new ATOM 0 HB2 LYS A 36 47.805 10.357 43.498 1.00 0.00 H new ATOM 0 HB3 LYS A 36 46.210 10.071 42.833 1.00 0.00 H new ATOM 0 HG2 LYS A 36 47.528 12.631 42.046 1.00 0.00 H new ATOM 0 HG3 LYS A 36 48.249 11.160 41.423 1.00 0.00 H new ATOM 0 HD2 LYS A 36 45.261 11.448 41.240 1.00 0.00 H new ATOM 0 HD3 LYS A 36 46.245 12.406 40.151 1.00 0.00 H new ATOM 0 HE2 LYS A 36 47.271 10.456 39.192 1.00 0.00 H new ATOM 0 HE3 LYS A 36 46.672 9.418 40.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 45.376 9.162 38.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 44.406 9.809 39.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 44.986 10.815 38.452 1.00 0.00 H new ATOM 488 N ALA A 37 46.710 10.497 46.184 1.00 0.00 N ATOM 489 CA ALA A 37 46.343 9.690 47.341 1.00 0.00 C ATOM 490 C ALA A 37 45.500 10.493 48.325 1.00 0.00 C ATOM 491 O ALA A 37 44.725 9.929 49.097 1.00 0.00 O ATOM 492 CB ALA A 37 47.592 9.154 48.027 1.00 0.00 C ATOM 0 H ALA A 37 47.707 10.696 46.108 1.00 0.00 H new ATOM 0 HA ALA A 37 45.744 8.849 46.992 1.00 0.00 H new ATOM 0 HB1 ALA A 37 47.304 8.553 48.889 1.00 0.00 H new ATOM 0 HB2 ALA A 37 48.155 8.537 47.327 1.00 0.00 H new ATOM 0 HB3 ALA A 37 48.212 9.988 48.357 1.00 0.00 H new ATOM 498 N ASP A 38 45.656 11.812 48.292 1.00 0.00 N ATOM 499 CA ASP A 38 44.908 12.693 49.181 1.00 0.00 C ATOM 500 C ASP A 38 43.499 12.931 48.651 1.00 0.00 C ATOM 501 O ASP A 38 42.524 12.880 49.401 1.00 0.00 O ATOM 502 CB ASP A 38 45.638 14.027 49.344 1.00 0.00 C ATOM 503 CG ASP A 38 45.695 14.483 50.789 1.00 0.00 C ATOM 504 OD1 ASP A 38 44.770 14.144 51.556 1.00 0.00 O ATOM 505 OD2 ASP A 38 46.666 15.179 51.153 1.00 0.00 O ATOM 0 H ASP A 38 46.294 12.295 47.659 1.00 0.00 H new ATOM 0 HA ASP A 38 44.833 12.208 50.154 1.00 0.00 H new ATOM 0 HB2 ASP A 38 46.652 13.933 48.956 1.00 0.00 H new ATOM 0 HB3 ASP A 38 45.137 14.788 48.745 1.00 0.00 H new ATOM 509 N LYS A 39 43.398 13.191 47.351 1.00 0.00 N ATOM 510 CA LYS A 39 42.106 13.438 46.718 1.00 0.00 C ATOM 511 C LYS A 39 41.215 12.203 46.802 1.00 0.00 C ATOM 512 O LYS A 39 40.026 12.302 47.102 1.00 0.00 O ATOM 513 CB LYS A 39 42.302 13.840 45.255 1.00 0.00 C ATOM 514 CG LYS A 39 42.182 15.335 45.015 1.00 0.00 C ATOM 515 CD LYS A 39 41.027 15.660 44.083 1.00 0.00 C ATOM 516 CE LYS A 39 41.499 15.826 42.646 1.00 0.00 C ATOM 517 NZ LYS A 39 42.222 14.621 42.157 1.00 0.00 N ATOM 0 H LYS A 39 44.194 13.236 46.715 1.00 0.00 H new ATOM 0 HA LYS A 39 41.617 14.254 47.251 1.00 0.00 H new ATOM 0 HB2 LYS A 39 43.285 13.505 44.923 1.00 0.00 H new ATOM 0 HB3 LYS A 39 41.565 13.322 44.642 1.00 0.00 H new ATOM 0 HG2 LYS A 39 42.038 15.847 45.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 43.112 15.712 44.588 1.00 0.00 H new ATOM 0 HD2 LYS A 39 40.283 14.865 44.133 1.00 0.00 H new ATOM 0 HD3 LYS A 39 40.538 16.576 44.414 1.00 0.00 H new ATOM 0 HE2 LYS A 39 40.641 16.021 42.002 1.00 0.00 H new ATOM 0 HE3 LYS A 39 42.153 16.695 42.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 42.363 14.694 41.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 43.146 14.555 42.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 41.663 13.770 42.370 1.00 0.00 H new ATOM 527 N VAL A 40 41.799 11.038 46.537 1.00 0.00 N ATOM 528 CA VAL A 40 41.057 9.783 46.584 1.00 0.00 C ATOM 529 C VAL A 40 40.662 9.433 48.015 1.00 0.00 C ATOM 530 O VAL A 40 39.586 8.888 48.256 1.00 0.00 O ATOM 531 CB VAL A 40 41.880 8.623 45.993 1.00 0.00 C ATOM 532 CG1 VAL A 40 43.207 8.483 46.722 1.00 0.00 C ATOM 533 CG2 VAL A 40 41.089 7.325 46.053 1.00 0.00 C ATOM 0 H VAL A 40 42.783 10.937 46.288 1.00 0.00 H new ATOM 0 HA VAL A 40 40.157 9.923 45.985 1.00 0.00 H new ATOM 0 HB VAL A 40 42.090 8.846 44.947 1.00 0.00 H new ATOM 0 HG11 VAL A 40 43.774 7.658 46.290 1.00 0.00 H new ATOM 0 HG12 VAL A 40 43.777 9.407 46.622 1.00 0.00 H new ATOM 0 HG13 VAL A 40 43.023 8.283 47.778 1.00 0.00 H new ATOM 0 HG21 VAL A 40 41.685 6.516 45.631 1.00 0.00 H new ATOM 0 HG22 VAL A 40 40.846 7.094 47.090 1.00 0.00 H new ATOM 0 HG23 VAL A 40 40.168 7.433 45.480 1.00 0.00 H new ATOM 543 N ALA A 41 41.538 9.752 48.961 1.00 0.00 N ATOM 544 CA ALA A 41 41.281 9.474 50.368 1.00 0.00 C ATOM 545 C ALA A 41 40.268 10.457 50.945 1.00 0.00 C ATOM 546 O ALA A 41 39.508 10.120 51.851 1.00 0.00 O ATOM 547 CB ALA A 41 42.577 9.521 51.162 1.00 0.00 C ATOM 0 H ALA A 41 42.434 10.204 48.778 1.00 0.00 H new ATOM 0 HA ALA A 41 40.859 8.472 50.443 1.00 0.00 H new ATOM 0 HB1 ALA A 41 42.369 9.311 52.211 1.00 0.00 H new ATOM 0 HB2 ALA A 41 43.269 8.774 50.773 1.00 0.00 H new ATOM 0 HB3 ALA A 41 43.023 10.511 51.072 1.00 0.00 H new ATOM 553 N GLY A 42 40.265 11.677 50.414 1.00 0.00 N ATOM 554 CA GLY A 42 39.343 12.691 50.889 1.00 0.00 C ATOM 555 C GLY A 42 38.013 12.650 50.165 1.00 0.00 C ATOM 556 O GLY A 42 36.979 13.007 50.730 1.00 0.00 O ATOM 0 H GLY A 42 40.885 11.980 49.663 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.176 12.554 51.957 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.793 13.675 50.761 1.00 0.00 H new ATOM 560 N LYS A 43 38.037 12.216 48.910 1.00 0.00 N ATOM 561 CA LYS A 43 36.824 12.129 48.105 1.00 0.00 C ATOM 562 C LYS A 43 35.982 10.926 48.518 1.00 0.00 C ATOM 563 O LYS A 43 34.756 10.950 48.413 1.00 0.00 O ATOM 564 CB LYS A 43 37.178 12.032 46.621 1.00 0.00 C ATOM 565 CG LYS A 43 37.476 13.375 45.977 1.00 0.00 C ATOM 566 CD LYS A 43 36.262 14.288 46.004 1.00 0.00 C ATOM 567 CE LYS A 43 35.769 14.602 44.599 1.00 0.00 C ATOM 568 NZ LYS A 43 35.469 13.364 43.827 1.00 0.00 N ATOM 0 H LYS A 43 38.885 11.918 48.427 1.00 0.00 H new ATOM 0 HA LYS A 43 36.240 13.034 48.274 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.046 11.383 46.505 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.352 11.559 46.089 1.00 0.00 H new ATOM 0 HG2 LYS A 43 38.304 13.854 46.499 1.00 0.00 H new ATOM 0 HG3 LYS A 43 37.795 13.222 44.946 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.462 13.815 46.574 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.514 15.216 46.518 1.00 0.00 H new ATOM 0 HE2 LYS A 43 34.873 15.219 44.658 1.00 0.00 H new ATOM 0 HE3 LYS A 43 36.524 15.185 44.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 34.745 13.570 43.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.335 13.028 43.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 35.117 12.629 44.473 1.00 0.00 H new ATOM 675 N GLY A 51 33.650 16.847 54.718 1.00 0.00 N ATOM 676 CA GLY A 51 34.235 16.595 53.414 1.00 0.00 C ATOM 677 C GLY A 51 33.186 16.394 52.338 1.00 0.00 C ATOM 678 O GLY A 51 33.500 16.394 51.148 1.00 0.00 O ATOM 0 HA2 GLY A 51 34.877 17.432 53.139 1.00 0.00 H new ATOM 0 HA3 GLY A 51 34.870 15.710 53.468 1.00 0.00 H new ATOM 682 N VAL A 52 31.936 16.220 52.757 1.00 0.00 N ATOM 683 CA VAL A 52 30.837 16.015 51.820 1.00 0.00 C ATOM 684 C VAL A 52 30.385 17.337 51.210 1.00 0.00 C ATOM 685 O VAL A 52 29.816 17.367 50.116 1.00 0.00 O ATOM 686 CB VAL A 52 29.636 15.339 52.504 1.00 0.00 C ATOM 687 CG1 VAL A 52 28.536 15.054 51.491 1.00 0.00 C ATOM 688 CG2 VAL A 52 30.072 14.059 53.203 1.00 0.00 C ATOM 0 H VAL A 52 31.659 16.217 53.739 1.00 0.00 H new ATOM 0 HA VAL A 52 31.209 15.362 51.031 1.00 0.00 H new ATOM 0 HB VAL A 52 29.238 16.020 53.256 1.00 0.00 H new ATOM 0 HG11 VAL A 52 27.695 14.576 51.992 1.00 0.00 H new ATOM 0 HG12 VAL A 52 28.206 15.990 51.040 1.00 0.00 H new ATOM 0 HG13 VAL A 52 28.919 14.392 50.714 1.00 0.00 H new ATOM 0 HG21 VAL A 52 29.210 13.594 53.681 1.00 0.00 H new ATOM 0 HG22 VAL A 52 30.496 13.371 52.471 1.00 0.00 H new ATOM 0 HG23 VAL A 52 30.823 14.294 53.957 1.00 0.00 H new ATOM 698 N PHE A 53 30.637 18.430 51.923 1.00 0.00 N ATOM 699 CA PHE A 53 30.253 19.756 51.452 1.00 0.00 C ATOM 700 C PHE A 53 30.962 20.094 50.144 1.00 0.00 C ATOM 701 O PHE A 53 30.365 20.668 49.233 1.00 0.00 O ATOM 702 CB PHE A 53 30.582 20.810 52.511 1.00 0.00 C ATOM 703 CG PHE A 53 29.393 21.236 53.323 1.00 0.00 C ATOM 704 CD1 PHE A 53 28.723 20.324 54.124 1.00 0.00 C ATOM 705 CD2 PHE A 53 28.942 22.545 53.285 1.00 0.00 C ATOM 706 CE1 PHE A 53 27.629 20.711 54.874 1.00 0.00 C ATOM 707 CE2 PHE A 53 27.849 22.938 54.032 1.00 0.00 C ATOM 708 CZ PHE A 53 27.190 22.020 54.827 1.00 0.00 C ATOM 0 H PHE A 53 31.105 18.424 52.829 1.00 0.00 H new ATOM 0 HA PHE A 53 29.178 19.754 51.272 1.00 0.00 H new ATOM 0 HB2 PHE A 53 31.346 20.415 53.180 1.00 0.00 H new ATOM 0 HB3 PHE A 53 31.009 21.685 52.021 1.00 0.00 H new ATOM 0 HD1 PHE A 53 29.060 19.299 54.162 1.00 0.00 H new ATOM 0 HD2 PHE A 53 29.451 23.267 52.664 1.00 0.00 H new ATOM 0 HE1 PHE A 53 27.118 19.991 55.496 1.00 0.00 H new ATOM 0 HE2 PHE A 53 27.509 23.963 53.995 1.00 0.00 H new ATOM 0 HZ PHE A 53 26.334 22.325 55.410 1.00 0.00 H new ATOM 717 N GLN A 54 32.239 19.734 50.059 1.00 0.00 N ATOM 718 CA GLN A 54 33.029 20.001 48.863 1.00 0.00 C ATOM 719 C GLN A 54 32.383 19.372 47.632 1.00 0.00 C ATOM 720 O GLN A 54 32.551 19.858 46.514 1.00 0.00 O ATOM 721 CB GLN A 54 34.451 19.466 49.036 1.00 0.00 C ATOM 722 CG GLN A 54 35.492 20.556 49.236 1.00 0.00 C ATOM 723 CD GLN A 54 36.458 20.662 48.072 1.00 0.00 C ATOM 724 OE1 GLN A 54 36.137 21.243 47.035 1.00 0.00 O ATOM 725 NE2 GLN A 54 37.649 20.100 48.239 1.00 0.00 N ATOM 0 H GLN A 54 32.748 19.257 50.803 1.00 0.00 H new ATOM 0 HA GLN A 54 33.069 21.081 48.718 1.00 0.00 H new ATOM 0 HB2 GLN A 54 34.475 18.791 49.892 1.00 0.00 H new ATOM 0 HB3 GLN A 54 34.718 18.877 48.158 1.00 0.00 H new ATOM 0 HG2 GLN A 54 34.989 21.513 49.374 1.00 0.00 H new ATOM 0 HG3 GLN A 54 36.051 20.356 50.150 1.00 0.00 H new ATOM 0 HE21 GLN A 54 37.872 19.629 49.116 1.00 0.00 H new ATOM 0 HE22 GLN A 54 38.341 20.140 47.491 1.00 0.00 H new ATOM 732 N GLY A 55 31.643 18.289 47.846 1.00 0.00 N ATOM 733 CA GLY A 55 30.983 17.612 46.745 1.00 0.00 C ATOM 734 C GLY A 55 29.915 18.467 46.094 1.00 0.00 C ATOM 735 O GLY A 55 29.658 18.349 44.896 1.00 0.00 O ATOM 0 H GLY A 55 31.489 17.868 48.762 1.00 0.00 H new ATOM 0 HA2 GLY A 55 31.725 17.332 45.998 1.00 0.00 H new ATOM 0 HA3 GLY A 55 30.533 16.688 47.108 1.00 0.00 H new ATOM 739 N VAL A 56 29.288 19.332 46.887 1.00 0.00 N ATOM 740 CA VAL A 56 28.241 20.212 46.379 1.00 0.00 C ATOM 741 C VAL A 56 28.729 21.014 45.179 1.00 0.00 C ATOM 742 O VAL A 56 28.017 21.158 44.184 1.00 0.00 O ATOM 743 CB VAL A 56 27.751 21.185 47.469 1.00 0.00 C ATOM 744 CG1 VAL A 56 26.669 22.102 46.918 1.00 0.00 C ATOM 745 CG2 VAL A 56 27.244 20.417 48.680 1.00 0.00 C ATOM 0 H VAL A 56 29.487 19.442 47.881 1.00 0.00 H new ATOM 0 HA VAL A 56 27.413 19.574 46.071 1.00 0.00 H new ATOM 0 HB VAL A 56 28.592 21.803 47.785 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.335 22.782 47.701 1.00 0.00 H new ATOM 0 HG12 VAL A 56 27.070 22.678 46.084 1.00 0.00 H new ATOM 0 HG13 VAL A 56 25.826 21.504 46.573 1.00 0.00 H new ATOM 0 HG21 VAL A 56 26.902 21.120 49.440 1.00 0.00 H new ATOM 0 HG22 VAL A 56 26.416 19.773 48.382 1.00 0.00 H new ATOM 0 HG23 VAL A 56 28.050 19.806 49.087 1.00 0.00 H new ATOM 755 N HIS A 57 29.948 21.533 45.278 1.00 0.00 N ATOM 756 CA HIS A 57 30.534 22.321 44.198 1.00 0.00 C ATOM 757 C HIS A 57 31.314 21.430 43.237 1.00 0.00 C ATOM 758 O HIS A 57 31.245 21.602 42.021 1.00 0.00 O ATOM 759 CB HIS A 57 31.451 23.403 44.767 1.00 0.00 C ATOM 760 CG HIS A 57 31.483 24.655 43.946 1.00 0.00 C ATOM 761 ND1 HIS A 57 32.645 25.182 43.421 1.00 0.00 N ATOM 762 CD2 HIS A 57 30.487 25.484 43.556 1.00 0.00 C ATOM 763 CE1 HIS A 57 32.361 26.281 42.748 1.00 0.00 C ATOM 764 NE2 HIS A 57 31.059 26.487 42.813 1.00 0.00 N ATOM 0 H HIS A 57 30.550 21.423 46.094 1.00 0.00 H new ATOM 0 HA HIS A 57 29.723 22.796 43.647 1.00 0.00 H new ATOM 0 HB2 HIS A 57 31.125 23.649 45.777 1.00 0.00 H new ATOM 0 HB3 HIS A 57 32.463 23.005 44.847 1.00 0.00 H new ATOM 0 HD2 HIS A 57 29.437 25.377 43.786 1.00 0.00 H new ATOM 0 HE1 HIS A 57 33.074 26.906 42.231 1.00 0.00 H new ATOM 0 HE2 HIS A 57 30.559 27.265 42.382 1.00 0.00 H new ATOM 771 N ASP A 58 32.057 20.478 43.792 1.00 0.00 N ATOM 772 CA ASP A 58 32.849 19.559 42.983 1.00 0.00 C ATOM 773 C ASP A 58 31.970 18.818 41.981 1.00 0.00 C ATOM 774 O ASP A 58 32.443 18.368 40.937 1.00 0.00 O ATOM 775 CB ASP A 58 33.579 18.557 43.879 1.00 0.00 C ATOM 776 CG ASP A 58 34.835 18.008 43.232 1.00 0.00 C ATOM 777 OD1 ASP A 58 34.766 17.602 42.054 1.00 0.00 O ATOM 778 OD2 ASP A 58 35.888 17.986 43.904 1.00 0.00 O ATOM 0 H ASP A 58 32.127 20.323 44.798 1.00 0.00 H new ATOM 0 HA ASP A 58 33.584 20.143 42.430 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.840 19.040 44.821 1.00 0.00 H new ATOM 0 HB3 ASP A 58 32.908 17.733 44.119 1.00 0.00 H new ATOM 782 N SER A 59 30.687 18.695 42.305 1.00 0.00 N ATOM 783 CA SER A 59 29.741 18.004 41.436 1.00 0.00 C ATOM 784 C SER A 59 29.685 18.664 40.062 1.00 0.00 C ATOM 785 O SER A 59 29.741 17.989 39.034 1.00 0.00 O ATOM 786 CB SER A 59 28.349 17.996 42.067 1.00 0.00 C ATOM 787 OG SER A 59 28.247 16.993 43.065 1.00 0.00 O ATOM 0 H SER A 59 30.278 19.065 43.163 1.00 0.00 H new ATOM 0 HA SER A 59 30.082 16.976 41.313 1.00 0.00 H new ATOM 0 HB2 SER A 59 28.139 18.972 42.505 1.00 0.00 H new ATOM 0 HB3 SER A 59 27.598 17.824 41.296 1.00 0.00 H new ATOM 0 HG SER A 59 28.719 17.286 43.873 1.00 0.00 H new ATOM 792 N ALA A 60 29.574 19.988 40.052 1.00 0.00 N ATOM 793 CA ALA A 60 29.511 20.741 38.806 1.00 0.00 C ATOM 794 C ALA A 60 30.902 21.184 38.361 1.00 0.00 C ATOM 795 O ALA A 60 31.040 22.028 37.478 1.00 0.00 O ATOM 796 CB ALA A 60 28.596 21.947 38.962 1.00 0.00 C ATOM 0 H ALA A 60 29.526 20.562 40.894 1.00 0.00 H new ATOM 0 HA ALA A 60 29.102 20.087 38.036 1.00 0.00 H new ATOM 0 HB1 ALA A 60 28.559 22.500 38.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 27.593 21.611 39.225 1.00 0.00 H new ATOM 0 HB3 ALA A 60 28.980 22.595 39.750 1.00 0.00 H new ATOM 802 N GLU A 61 31.927 20.608 38.981 1.00 0.00 N ATOM 803 CA GLU A 61 33.306 20.945 38.650 1.00 0.00 C ATOM 804 C GLU A 61 33.576 20.731 37.163 1.00 0.00 C ATOM 805 O GLU A 61 33.746 21.688 36.408 1.00 0.00 O ATOM 806 CB GLU A 61 34.275 20.102 39.481 1.00 0.00 C ATOM 807 CG GLU A 61 35.730 20.265 39.073 1.00 0.00 C ATOM 808 CD GLU A 61 36.221 21.692 39.222 1.00 0.00 C ATOM 809 OE1 GLU A 61 35.812 22.360 40.195 1.00 0.00 O ATOM 810 OE2 GLU A 61 37.011 22.140 38.366 1.00 0.00 O ATOM 0 H GLU A 61 31.828 19.906 39.715 1.00 0.00 H new ATOM 0 HA GLU A 61 33.461 21.998 38.883 1.00 0.00 H new ATOM 0 HB2 GLU A 61 34.169 20.372 40.532 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.997 19.052 39.392 1.00 0.00 H new ATOM 0 HG2 GLU A 61 36.350 19.606 39.681 1.00 0.00 H new ATOM 0 HG3 GLU A 61 35.850 19.950 38.037 1.00 0.00 H new ATOM 1021 N ARG A 79 20.585 7.586 19.418 1.00 0.00 N ATOM 1022 CA ARG A 79 19.933 6.788 18.384 1.00 0.00 C ATOM 1023 C ARG A 79 18.981 5.770 19.004 1.00 0.00 C ATOM 1024 O ARG A 79 17.838 5.629 18.569 1.00 0.00 O ATOM 1025 CB ARG A 79 20.979 6.070 17.530 1.00 0.00 C ATOM 1026 CG ARG A 79 20.390 5.022 16.600 1.00 0.00 C ATOM 1027 CD ARG A 79 20.868 5.215 15.169 1.00 0.00 C ATOM 1028 NE ARG A 79 22.072 4.440 14.886 1.00 0.00 N ATOM 1029 CZ ARG A 79 22.083 3.120 14.747 1.00 0.00 C ATOM 1030 NH1 ARG A 79 20.957 2.430 14.866 1.00 0.00 N ATOM 1031 NH2 ARG A 79 23.220 2.487 14.489 1.00 0.00 N ATOM 0 HA ARG A 79 19.356 7.461 17.750 1.00 0.00 H new ATOM 0 HB2 ARG A 79 21.520 6.807 16.937 1.00 0.00 H new ATOM 0 HB3 ARG A 79 21.707 5.593 18.187 1.00 0.00 H new ATOM 0 HG2 ARG A 79 20.670 4.027 16.947 1.00 0.00 H new ATOM 0 HG3 ARG A 79 19.302 5.076 16.632 1.00 0.00 H new ATOM 0 HD2 ARG A 79 20.077 4.920 14.480 1.00 0.00 H new ATOM 0 HD3 ARG A 79 21.067 6.272 14.993 1.00 0.00 H new ATOM 0 HE ARG A 79 22.955 4.941 14.790 1.00 0.00 H new ATOM 0 HH11 ARG A 79 20.081 2.914 15.065 1.00 0.00 H new ATOM 0 HH12 ARG A 79 20.967 1.416 14.759 1.00 0.00 H new ATOM 0 HH21 ARG A 79 24.088 3.015 14.397 1.00 0.00 H new ATOM 0 HH22 ARG A 79 23.226 1.473 14.383 1.00 0.00 H new ATOM 1042 N ASP A 80 19.460 5.063 20.021 1.00 0.00 N ATOM 1043 CA ASP A 80 18.652 4.057 20.701 1.00 0.00 C ATOM 1044 C ASP A 80 17.403 4.686 21.310 1.00 0.00 C ATOM 1045 O ASP A 80 16.311 4.123 21.230 1.00 0.00 O ATOM 1046 CB ASP A 80 19.472 3.364 21.791 1.00 0.00 C ATOM 1047 CG ASP A 80 19.047 1.926 22.009 1.00 0.00 C ATOM 1048 OD1 ASP A 80 19.055 1.150 21.031 1.00 0.00 O ATOM 1049 OD2 ASP A 80 18.706 1.576 23.158 1.00 0.00 O ATOM 0 H ASP A 80 20.404 5.168 20.393 1.00 0.00 H new ATOM 0 HA ASP A 80 18.343 3.316 19.964 1.00 0.00 H new ATOM 0 HB2 ASP A 80 20.527 3.391 21.520 1.00 0.00 H new ATOM 0 HB3 ASP A 80 19.369 3.916 22.725 1.00 0.00 H new ATOM 1053 N TYR A 81 17.571 5.853 21.921 1.00 0.00 N ATOM 1054 CA TYR A 81 16.458 6.557 22.546 1.00 0.00 C ATOM 1055 C TYR A 81 15.497 7.103 21.494 1.00 0.00 C ATOM 1056 O TYR A 81 14.279 7.032 21.654 1.00 0.00 O ATOM 1057 CB TYR A 81 16.976 7.699 23.421 1.00 0.00 C ATOM 1058 CG TYR A 81 15.942 8.244 24.381 1.00 0.00 C ATOM 1059 CD1 TYR A 81 15.127 7.388 25.113 1.00 0.00 C ATOM 1060 CD2 TYR A 81 15.782 9.613 24.558 1.00 0.00 C ATOM 1061 CE1 TYR A 81 14.181 7.882 25.992 1.00 0.00 C ATOM 1062 CE2 TYR A 81 14.840 10.114 25.435 1.00 0.00 C ATOM 1063 CZ TYR A 81 14.040 9.245 26.149 1.00 0.00 C ATOM 1064 OH TYR A 81 13.101 9.739 27.023 1.00 0.00 O ATOM 0 H TYR A 81 18.468 6.332 21.997 1.00 0.00 H new ATOM 0 HA TYR A 81 15.917 5.846 23.171 1.00 0.00 H new ATOM 0 HB2 TYR A 81 17.838 7.348 23.989 1.00 0.00 H new ATOM 0 HB3 TYR A 81 17.325 8.508 22.779 1.00 0.00 H new ATOM 0 HD1 TYR A 81 15.235 6.320 24.993 1.00 0.00 H new ATOM 0 HD2 TYR A 81 16.405 10.297 24.000 1.00 0.00 H new ATOM 0 HE1 TYR A 81 13.555 7.204 26.553 1.00 0.00 H new ATOM 0 HE2 TYR A 81 14.730 11.181 25.562 1.00 0.00 H new ATOM 0 HH TYR A 81 13.131 10.719 27.016 1.00 0.00 H new ATOM 1073 N MET A 82 16.056 7.646 20.417 1.00 0.00 N ATOM 1074 CA MET A 82 15.251 8.202 19.336 1.00 0.00 C ATOM 1075 C MET A 82 14.447 7.109 18.638 1.00 0.00 C ATOM 1076 O MET A 82 13.224 7.193 18.535 1.00 0.00 O ATOM 1077 CB MET A 82 16.143 8.921 18.324 1.00 0.00 C ATOM 1078 CG MET A 82 16.358 10.391 18.639 1.00 0.00 C ATOM 1079 SD MET A 82 15.168 11.461 17.809 1.00 0.00 S ATOM 1080 CE MET A 82 15.916 11.608 16.189 1.00 0.00 C ATOM 0 H MET A 82 17.063 7.713 20.270 1.00 0.00 H new ATOM 0 HA MET A 82 14.554 8.920 19.769 1.00 0.00 H new ATOM 0 HB2 MET A 82 17.111 8.421 18.286 1.00 0.00 H new ATOM 0 HB3 MET A 82 15.699 8.832 17.333 1.00 0.00 H new ATOM 0 HG2 MET A 82 16.287 10.542 19.716 1.00 0.00 H new ATOM 0 HG3 MET A 82 17.367 10.678 18.343 1.00 0.00 H new ATOM 0 HE1 MET A 82 15.294 12.243 15.557 1.00 0.00 H new ATOM 0 HE2 MET A 82 16.907 12.051 16.285 1.00 0.00 H new ATOM 0 HE3 MET A 82 16.002 10.620 15.737 1.00 0.00 H new ATOM 1088 N GLY A 83 15.145 6.081 18.162 1.00 0.00 N ATOM 1089 CA GLY A 83 14.479 4.987 17.479 1.00 0.00 C ATOM 1090 C GLY A 83 13.396 4.349 18.326 1.00 0.00 C ATOM 1091 O GLY A 83 12.405 3.843 17.799 1.00 0.00 O ATOM 0 H GLY A 83 16.158 5.987 18.237 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.041 5.355 16.551 1.00 0.00 H new ATOM 0 HA3 GLY A 83 15.215 4.231 17.206 1.00 0.00 H new ATOM 1095 N ALA A 84 13.584 4.372 19.641 1.00 0.00 N ATOM 1096 CA ALA A 84 12.614 3.792 20.562 1.00 0.00 C ATOM 1097 C ALA A 84 11.338 4.624 20.611 1.00 0.00 C ATOM 1098 O ALA A 84 10.236 4.083 20.703 1.00 0.00 O ATOM 1099 CB ALA A 84 13.217 3.666 21.953 1.00 0.00 C ATOM 0 H ALA A 84 14.399 4.786 20.093 1.00 0.00 H new ATOM 0 HA ALA A 84 12.355 2.798 20.198 1.00 0.00 H new ATOM 0 HB1 ALA A 84 12.482 3.232 22.630 1.00 0.00 H new ATOM 0 HB2 ALA A 84 14.096 3.023 21.911 1.00 0.00 H new ATOM 0 HB3 ALA A 84 13.505 4.653 22.315 1.00 0.00 H new ATOM 1105 N ALA A 85 11.493 5.943 20.549 1.00 0.00 N ATOM 1106 CA ALA A 85 10.351 6.849 20.584 1.00 0.00 C ATOM 1107 C ALA A 85 9.496 6.704 19.331 1.00 0.00 C ATOM 1108 O ALA A 85 8.279 6.883 19.372 1.00 0.00 O ATOM 1109 CB ALA A 85 10.825 8.287 20.741 1.00 0.00 C ATOM 0 H ALA A 85 12.398 6.408 20.474 1.00 0.00 H new ATOM 0 HA ALA A 85 9.734 6.585 21.443 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.963 8.954 20.766 1.00 0.00 H new ATOM 0 HB2 ALA A 85 11.387 8.386 21.670 1.00 0.00 H new ATOM 0 HB3 ALA A 85 11.465 8.553 19.900 1.00 0.00 H new ATOM 1115 N LYS A 86 10.140 6.378 18.215 1.00 0.00 N ATOM 1116 CA LYS A 86 9.439 6.210 16.948 1.00 0.00 C ATOM 1117 C LYS A 86 8.464 5.039 17.018 1.00 0.00 C ATOM 1118 O LYS A 86 7.273 5.194 16.751 1.00 0.00 O ATOM 1119 CB LYS A 86 10.442 5.984 15.814 1.00 0.00 C ATOM 1120 CG LYS A 86 11.635 6.921 15.862 1.00 0.00 C ATOM 1121 CD LYS A 86 12.229 7.140 14.480 1.00 0.00 C ATOM 1122 CE LYS A 86 12.433 8.619 14.188 1.00 0.00 C ATOM 1123 NZ LYS A 86 13.368 8.835 13.049 1.00 0.00 N ATOM 0 H LYS A 86 11.147 6.225 18.163 1.00 0.00 H new ATOM 0 HA LYS A 86 8.873 7.120 16.750 1.00 0.00 H new ATOM 0 HB2 LYS A 86 10.797 4.954 15.854 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.932 6.108 14.859 1.00 0.00 H new ATOM 0 HG2 LYS A 86 11.330 7.879 16.284 1.00 0.00 H new ATOM 0 HG3 LYS A 86 12.396 6.509 16.525 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.183 6.619 14.406 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.570 6.707 13.727 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.472 9.081 13.962 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.823 9.114 15.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.481 9.855 12.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 14.293 8.417 13.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 12.984 8.384 12.194 1.00 0.00 H new ATOM 1133 N SER A 87 8.977 3.867 17.383 1.00 0.00 N ATOM 1134 CA SER A 87 8.150 2.671 17.485 1.00 0.00 C ATOM 1135 C SER A 87 7.045 2.861 18.519 1.00 0.00 C ATOM 1136 O SER A 87 5.886 2.521 18.278 1.00 0.00 O ATOM 1137 CB SER A 87 9.012 1.461 17.860 1.00 0.00 C ATOM 1138 OG SER A 87 8.466 0.265 17.334 1.00 0.00 O ATOM 0 H SER A 87 9.960 3.721 17.612 1.00 0.00 H new ATOM 0 HA SER A 87 7.688 2.494 16.514 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.024 1.600 17.481 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.086 1.385 18.945 1.00 0.00 H new ATOM 0 HG SER A 87 9.035 -0.492 17.585 1.00 0.00 H new ATOM 1143 N LYS A 88 7.412 3.407 19.673 1.00 0.00 N ATOM 1144 CA LYS A 88 6.453 3.646 20.747 1.00 0.00 C ATOM 1145 C LYS A 88 5.385 4.643 20.310 1.00 0.00 C ATOM 1146 O LYS A 88 4.188 4.383 20.440 1.00 0.00 O ATOM 1147 CB LYS A 88 7.171 4.164 21.995 1.00 0.00 C ATOM 1148 CG LYS A 88 7.945 3.091 22.741 1.00 0.00 C ATOM 1149 CD LYS A 88 7.018 2.048 23.340 1.00 0.00 C ATOM 1150 CE LYS A 88 6.903 2.206 24.849 1.00 0.00 C ATOM 1151 NZ LYS A 88 6.313 3.520 25.226 1.00 0.00 N ATOM 0 H LYS A 88 8.367 3.693 19.890 1.00 0.00 H new ATOM 0 HA LYS A 88 5.966 2.700 20.983 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.857 4.960 21.705 1.00 0.00 H new ATOM 0 HB3 LYS A 88 6.437 4.606 22.669 1.00 0.00 H new ATOM 0 HG2 LYS A 88 8.646 2.608 22.061 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.536 3.552 23.533 1.00 0.00 H new ATOM 0 HD2 LYS A 88 6.030 2.135 22.888 1.00 0.00 H new ATOM 0 HD3 LYS A 88 7.390 1.051 23.105 1.00 0.00 H new ATOM 0 HE2 LYS A 88 6.287 1.402 25.252 1.00 0.00 H new ATOM 0 HE3 LYS A 88 7.890 2.108 25.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 6.189 3.562 26.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.948 4.286 24.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 5.389 3.632 24.761 1.00 0.00 H new ATOM 1161 N LEU A 89 5.826 5.785 19.793 1.00 0.00 N ATOM 1162 CA LEU A 89 4.907 6.822 19.335 1.00 0.00 C ATOM 1163 C LEU A 89 3.874 6.247 18.371 1.00 0.00 C ATOM 1164 O LEU A 89 2.669 6.396 18.575 1.00 0.00 O ATOM 1165 CB LEU A 89 5.681 7.954 18.657 1.00 0.00 C ATOM 1166 CG LEU A 89 4.845 9.127 18.148 1.00 0.00 C ATOM 1167 CD1 LEU A 89 3.853 9.578 19.209 1.00 0.00 C ATOM 1168 CD2 LEU A 89 5.744 10.282 17.730 1.00 0.00 C ATOM 0 H LEU A 89 6.813 6.016 19.681 1.00 0.00 H new ATOM 0 HA LEU A 89 4.383 7.219 20.205 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.417 8.338 19.363 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.234 7.536 17.816 1.00 0.00 H new ATOM 0 HG LEU A 89 4.284 8.795 17.274 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.267 10.414 18.827 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.187 8.752 19.459 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.393 9.891 20.102 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.131 11.108 17.370 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.333 10.613 18.585 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.413 9.953 16.935 1.00 0.00 H new ATOM 1179 N ASN A 90 4.355 5.590 17.321 1.00 0.00 N ATOM 1180 CA ASN A 90 3.472 4.992 16.325 1.00 0.00 C ATOM 1181 C ASN A 90 2.527 3.983 16.972 1.00 0.00 C ATOM 1182 O ASN A 90 1.424 3.748 16.478 1.00 0.00 O ATOM 1183 CB ASN A 90 4.293 4.309 15.230 1.00 0.00 C ATOM 1184 CG ASN A 90 3.813 4.669 13.837 1.00 0.00 C ATOM 1185 OD1 ASN A 90 2.834 4.110 13.343 1.00 0.00 O ATOM 1186 ND2 ASN A 90 4.503 5.607 13.198 1.00 0.00 N ATOM 0 H ASN A 90 5.350 5.458 17.137 1.00 0.00 H new ATOM 0 HA ASN A 90 2.876 5.788 15.879 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.340 4.592 15.335 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.241 3.228 15.361 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.228 5.891 12.258 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.308 6.043 13.647 1.00 0.00 H new ATOM 1192 N ASP A 91 2.968 3.392 18.076 1.00 0.00 N ATOM 1193 CA ASP A 91 2.162 2.410 18.792 1.00 0.00 C ATOM 1194 C ASP A 91 0.984 3.081 19.493 1.00 0.00 C ATOM 1195 O ASP A 91 -0.103 2.513 19.581 1.00 0.00 O ATOM 1196 CB ASP A 91 3.019 1.662 19.813 1.00 0.00 C ATOM 1197 CG ASP A 91 2.978 0.159 19.611 1.00 0.00 C ATOM 1198 OD1 ASP A 91 2.932 -0.283 18.445 1.00 0.00 O ATOM 1199 OD2 ASP A 91 2.994 -0.575 20.621 1.00 0.00 O ATOM 0 H ASP A 91 3.880 3.576 18.495 1.00 0.00 H new ATOM 0 HA ASP A 91 1.772 1.698 18.065 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.050 2.008 19.741 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.673 1.900 20.819 1.00 0.00 H new ATOM 1203 N ALA A 92 1.211 4.292 19.991 1.00 0.00 N ATOM 1204 CA ALA A 92 0.168 5.040 20.684 1.00 0.00 C ATOM 1205 C ALA A 92 -0.757 5.738 19.693 1.00 0.00 C ATOM 1206 O ALA A 92 -1.980 5.684 19.826 1.00 0.00 O ATOM 1207 CB ALA A 92 0.789 6.054 21.634 1.00 0.00 C ATOM 0 H ALA A 92 2.107 4.776 19.928 1.00 0.00 H new ATOM 0 HA ALA A 92 -0.428 4.334 21.262 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.001 6.605 22.145 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.403 5.535 22.370 1.00 0.00 H new ATOM 0 HB3 ALA A 92 1.410 6.749 21.069 1.00 0.00 H new ATOM 1213 N VAL A 93 -0.166 6.392 18.700 1.00 0.00 N ATOM 1214 CA VAL A 93 -0.937 7.101 17.685 1.00 0.00 C ATOM 1215 C VAL A 93 -1.979 6.188 17.050 1.00 0.00 C ATOM 1216 O VAL A 93 -3.170 6.500 17.042 1.00 0.00 O ATOM 1217 CB VAL A 93 -0.026 7.668 16.579 1.00 0.00 C ATOM 1218 CG1 VAL A 93 -0.821 8.556 15.635 1.00 0.00 C ATOM 1219 CG2 VAL A 93 1.139 8.431 17.190 1.00 0.00 C ATOM 0 H VAL A 93 0.845 6.446 18.576 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.439 7.927 18.190 1.00 0.00 H new ATOM 0 HB VAL A 93 0.377 6.836 16.001 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.161 8.947 14.861 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -1.618 7.974 15.172 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.255 9.385 16.194 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.773 8.825 16.395 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.758 9.255 17.793 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.723 7.760 17.821 1.00 0.00 H new ATOM 1229 N GLU A 94 -1.524 5.058 16.517 1.00 0.00 N ATOM 1230 CA GLU A 94 -2.417 4.099 15.880 1.00 0.00 C ATOM 1231 C GLU A 94 -3.607 3.781 16.781 1.00 0.00 C ATOM 1232 O GLU A 94 -4.728 3.591 16.306 1.00 0.00 O ATOM 1233 CB GLU A 94 -1.664 2.812 15.541 1.00 0.00 C ATOM 1234 CG GLU A 94 -1.666 2.478 14.058 1.00 0.00 C ATOM 1235 CD GLU A 94 -2.432 1.207 13.747 1.00 0.00 C ATOM 1236 OE1 GLU A 94 -1.856 0.112 13.912 1.00 0.00 O ATOM 1237 OE2 GLU A 94 -3.607 1.310 13.338 1.00 0.00 O ATOM 0 H GLU A 94 -0.541 4.785 16.514 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.789 4.547 14.959 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.633 2.903 15.883 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.110 1.984 16.092 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.105 3.307 13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.638 2.372 13.712 1.00 0.00 H new ATOM 1242 N TYR A 95 -3.356 3.723 18.085 1.00 0.00 N ATOM 1243 CA TYR A 95 -4.404 3.425 19.053 1.00 0.00 C ATOM 1244 C TYR A 95 -5.299 4.640 19.280 1.00 0.00 C ATOM 1245 O TYR A 95 -6.517 4.517 19.390 1.00 0.00 O ATOM 1246 CB TYR A 95 -3.789 2.977 20.380 1.00 0.00 C ATOM 1247 CG TYR A 95 -4.805 2.469 21.377 1.00 0.00 C ATOM 1248 CD1 TYR A 95 -5.613 3.349 22.087 1.00 0.00 C ATOM 1249 CD2 TYR A 95 -4.959 1.107 21.611 1.00 0.00 C ATOM 1250 CE1 TYR A 95 -6.542 2.889 22.999 1.00 0.00 C ATOM 1251 CE2 TYR A 95 -5.886 0.638 22.519 1.00 0.00 C ATOM 1252 CZ TYR A 95 -6.676 1.533 23.212 1.00 0.00 C ATOM 1253 OH TYR A 95 -7.600 1.070 24.120 1.00 0.00 O ATOM 0 H TYR A 95 -2.435 3.879 18.495 1.00 0.00 H new ATOM 0 HA TYR A 95 -5.015 2.617 18.651 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.059 2.191 20.186 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.247 3.814 20.821 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.512 4.412 21.922 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.342 0.403 21.072 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.161 3.588 23.543 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -5.993 -0.424 22.687 1.00 0.00 H new ATOM 0 HH TYR A 95 -7.568 0.091 24.149 1.00 0.00 H new ATOM 1262 N VAL A 96 -4.681 5.816 19.347 1.00 0.00 N ATOM 1263 CA VAL A 96 -5.420 7.056 19.557 1.00 0.00 C ATOM 1264 C VAL A 96 -6.342 7.354 18.381 1.00 0.00 C ATOM 1265 O VAL A 96 -7.533 7.605 18.560 1.00 0.00 O ATOM 1266 CB VAL A 96 -4.467 8.248 19.765 1.00 0.00 C ATOM 1267 CG1 VAL A 96 -5.254 9.509 20.090 1.00 0.00 C ATOM 1268 CG2 VAL A 96 -3.459 7.941 20.861 1.00 0.00 C ATOM 0 H VAL A 96 -3.672 5.936 19.259 1.00 0.00 H new ATOM 0 HA VAL A 96 -6.020 6.918 20.457 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.919 8.418 18.838 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.565 10.341 20.234 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.932 9.737 19.267 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -5.830 9.353 21.002 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.794 8.795 20.994 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.986 7.743 21.795 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.873 7.065 20.582 1.00 0.00 H new ATOM 1278 N SER A 97 -5.782 7.323 17.175 1.00 0.00 N ATOM 1279 CA SER A 97 -6.552 7.593 15.967 1.00 0.00 C ATOM 1280 C SER A 97 -7.709 6.606 15.828 1.00 0.00 C ATOM 1281 O SER A 97 -8.761 6.938 15.286 1.00 0.00 O ATOM 1282 CB SER A 97 -5.651 7.517 14.734 1.00 0.00 C ATOM 1283 OG SER A 97 -5.726 8.711 13.974 1.00 0.00 O ATOM 0 H SER A 97 -4.798 7.113 17.009 1.00 0.00 H new ATOM 0 HA SER A 97 -6.963 8.599 16.046 1.00 0.00 H new ATOM 0 HB2 SER A 97 -4.620 7.343 15.043 1.00 0.00 H new ATOM 0 HB3 SER A 97 -5.946 6.669 14.116 1.00 0.00 H new ATOM 0 HG SER A 97 -5.140 8.638 13.192 1.00 0.00 H new ATOM 1288 N GLY A 98 -7.501 5.389 16.324 1.00 0.00 N ATOM 1289 CA GLY A 98 -8.534 4.372 16.244 1.00 0.00 C ATOM 1290 C GLY A 98 -9.611 4.556 17.294 1.00 0.00 C ATOM 1291 O GLY A 98 -10.731 4.073 17.134 1.00 0.00 O ATOM 0 H GLY A 98 -6.638 5.090 16.778 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -8.988 4.397 15.254 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -8.081 3.388 16.362 1.00 0.00 H new ATOM 1295 N ARG A 99 -9.270 5.254 18.373 1.00 0.00 N ATOM 1296 CA ARG A 99 -10.217 5.499 19.454 1.00 0.00 C ATOM 1297 C ARG A 99 -11.025 6.767 19.194 1.00 0.00 C ATOM 1298 O ARG A 99 -12.252 6.768 19.300 1.00 0.00 O ATOM 1299 CB ARG A 99 -9.480 5.615 20.789 1.00 0.00 C ATOM 1300 CG ARG A 99 -9.548 4.355 21.635 1.00 0.00 C ATOM 1301 CD ARG A 99 -10.643 4.449 22.686 1.00 0.00 C ATOM 1302 NE ARG A 99 -10.358 3.614 23.850 1.00 0.00 N ATOM 1303 CZ ARG A 99 -10.983 3.740 25.016 1.00 0.00 C ATOM 1304 NH1 ARG A 99 -11.922 4.662 25.172 1.00 0.00 N ATOM 1305 NH2 ARG A 99 -10.666 2.944 26.029 1.00 0.00 N ATOM 0 H ARG A 99 -8.346 5.659 18.521 1.00 0.00 H new ATOM 0 HA ARG A 99 -10.905 4.655 19.499 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -8.435 5.857 20.597 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.901 6.446 21.355 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.731 3.494 20.993 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.587 4.190 22.123 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.754 5.486 23.002 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.594 4.147 22.247 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.640 2.895 23.763 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.167 5.277 24.396 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -12.400 4.756 26.068 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.942 2.235 25.913 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.146 3.041 26.924 1.00 0.00 H new ATOM 1316 N VAL A 100 -10.328 7.846 18.855 1.00 0.00 N ATOM 1317 CA VAL A 100 -10.979 9.121 18.579 1.00 0.00 C ATOM 1318 C VAL A 100 -12.104 8.955 17.563 1.00 0.00 C ATOM 1319 O VAL A 100 -13.159 9.578 17.682 1.00 0.00 O ATOM 1320 CB VAL A 100 -9.975 10.163 18.050 1.00 0.00 C ATOM 1321 CG1 VAL A 100 -10.689 11.452 17.678 1.00 0.00 C ATOM 1322 CG2 VAL A 100 -8.888 10.425 19.082 1.00 0.00 C ATOM 0 H VAL A 100 -9.312 7.863 18.765 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.394 9.474 19.523 1.00 0.00 H new ATOM 0 HB VAL A 100 -9.504 9.765 17.151 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -9.963 12.176 17.307 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -11.428 11.248 16.903 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -11.189 11.858 18.558 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.187 11.163 18.693 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.340 10.802 19.999 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.357 9.497 19.295 1.00 0.00 H new