USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -77:sc= 0.851 USER MOD Set 1.2: A 57 SER OG : rot -90:sc= 1.22 USER MOD Single : A 1 MET CE :methyl -149:sc= 0 (180deg=-0.0298) USER MOD Single : A 1 MET N :NH3+ -155:sc= 2.2 (180deg=1.65) USER MOD Single : A 2 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.2) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -78:sc= 0.507 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.27 USER MOD Single : A 25 ASN : amide:sc= 1.12 K(o=1.1,f=-0.68) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 169:sc= 1.24 (180deg=1.11) USER MOD Single : A 31 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.36) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 1.12 K(o=1.1,f=-0.013) USER MOD Single : A 41 GLN : amide:sc= 0.529 K(o=0.53,f=-0.97) USER MOD Single : A 48 LYS NZ :NH3+ 175:sc= 0.682 (180deg=0.658) USER MOD Single : A 49 GLN : amide:sc= 0.669 K(o=0.67,f=0) USER MOD Single : A 59 TYR OH : rot 151:sc= 0.424 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.00087) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.694 50.925 20.184 1.00 0.00 N ATOM 2 CA MET A 1 33.156 50.953 21.581 1.00 0.00 C ATOM 3 C MET A 1 34.485 51.699 21.698 1.00 0.00 C ATOM 4 O MET A 1 35.377 51.473 20.882 1.00 0.00 O ATOM 5 CB MET A 1 33.261 49.540 22.149 1.00 0.00 C ATOM 6 CG MET A 1 33.731 49.511 23.600 1.00 0.00 C ATOM 7 SD MET A 1 33.685 47.885 24.394 1.00 0.00 S ATOM 8 CE MET A 1 31.904 47.714 24.675 1.00 0.00 C ATOM 0 H1 MET A 1 31.660 50.816 20.162 1.00 0.00 H new ATOM 0 H2 MET A 1 32.959 51.814 19.713 1.00 0.00 H new ATOM 0 H3 MET A 1 33.137 50.125 19.688 1.00 0.00 H new ATOM 0 HA MET A 1 32.417 51.493 22.173 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.288 49.054 22.079 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.952 48.960 21.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.753 49.889 23.642 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.113 50.198 24.179 1.00 0.00 H new ATOM 0 HE1 MET A 1 31.733 47.121 25.573 1.00 0.00 H new ATOM 0 HE2 MET A 1 31.459 48.701 24.802 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.447 47.217 23.819 1.00 0.00 H new ATOM 20 N GLN A 2 34.657 52.532 22.720 1.00 0.00 N ATOM 21 CA GLN A 2 35.929 53.118 23.091 1.00 0.00 C ATOM 22 C GLN A 2 36.725 52.180 24.001 1.00 0.00 C ATOM 23 O GLN A 2 36.198 51.712 25.008 1.00 0.00 O ATOM 24 CB GLN A 2 35.704 54.462 23.778 1.00 0.00 C ATOM 25 CG GLN A 2 37.001 55.149 24.195 1.00 0.00 C ATOM 26 CD GLN A 2 36.791 56.510 24.863 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.680 56.944 25.161 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.867 57.235 25.154 1.00 0.00 N ATOM 0 H GLN A 2 33.890 52.823 23.326 1.00 0.00 H new ATOM 0 HA GLN A 2 36.511 53.275 22.183 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.153 55.119 23.105 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.080 54.312 24.659 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.542 54.497 24.881 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.631 55.280 23.315 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.796 56.889 24.913 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.764 58.137 25.618 1.00 0.00 H new ATOM 37 N ILE A 3 38.013 52.006 23.717 1.00 0.00 N ATOM 38 CA ILE A 3 38.975 51.399 24.613 1.00 0.00 C ATOM 39 C ILE A 3 40.241 52.253 24.715 1.00 0.00 C ATOM 40 O ILE A 3 40.488 53.106 23.866 1.00 0.00 O ATOM 41 CB ILE A 3 39.302 49.961 24.225 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.969 49.863 22.855 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.068 49.070 24.323 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.564 48.493 22.540 1.00 0.00 C ATOM 0 H ILE A 3 38.422 52.295 22.828 1.00 0.00 H new ATOM 0 HA ILE A 3 38.514 51.357 25.600 1.00 0.00 H new ATOM 0 HB ILE A 3 40.033 49.594 24.946 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.235 50.112 22.088 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.759 50.611 22.795 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.332 48.051 24.040 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.694 49.078 25.347 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.295 49.444 23.652 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.017 48.512 21.549 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.324 48.247 23.282 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.776 47.740 22.564 1.00 0.00 H new ATOM 56 N PHE A 4 41.078 51.965 25.708 1.00 0.00 N ATOM 57 CA PHE A 4 42.429 52.479 25.808 1.00 0.00 C ATOM 58 C PHE A 4 43.448 51.337 25.788 1.00 0.00 C ATOM 59 O PHE A 4 43.136 50.207 26.158 1.00 0.00 O ATOM 60 CB PHE A 4 42.610 53.306 27.077 1.00 0.00 C ATOM 61 CG PHE A 4 41.601 54.403 27.320 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.790 55.663 26.737 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.515 54.188 28.175 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.899 56.707 27.013 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.627 55.233 28.458 1.00 0.00 C ATOM 66 CZ PHE A 4 39.818 56.493 27.877 1.00 0.00 C ATOM 0 H PHE A 4 40.823 51.352 26.482 1.00 0.00 H new ATOM 0 HA PHE A 4 42.599 53.122 24.945 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.589 52.629 27.931 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.603 53.756 27.052 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.625 55.829 26.073 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.361 53.215 28.617 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.045 57.676 26.560 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.794 55.067 29.125 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.132 57.299 28.095 1.00 0.00 H new ATOM 76 N VAL A 5 44.686 51.631 25.405 1.00 0.00 N ATOM 77 CA VAL A 5 45.807 50.713 25.465 1.00 0.00 C ATOM 78 C VAL A 5 47.007 51.422 26.097 1.00 0.00 C ATOM 79 O VAL A 5 47.356 52.519 25.667 1.00 0.00 O ATOM 80 CB VAL A 5 46.173 50.173 24.085 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.272 49.119 24.189 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.990 49.538 23.362 1.00 0.00 C ATOM 0 H VAL A 5 44.940 52.546 25.033 1.00 0.00 H new ATOM 0 HA VAL A 5 45.518 49.859 26.078 1.00 0.00 H new ATOM 0 HB VAL A 5 46.512 51.037 23.514 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.516 48.749 23.193 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.160 49.563 24.639 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.926 48.292 24.809 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.313 49.173 22.387 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.607 48.706 23.952 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.203 50.281 23.229 1.00 0.00 H new ATOM 92 N LYS A 6 47.657 50.785 27.068 1.00 0.00 N ATOM 93 CA LYS A 6 48.916 51.202 27.651 1.00 0.00 C ATOM 94 C LYS A 6 50.061 50.313 27.159 1.00 0.00 C ATOM 95 O LYS A 6 50.046 49.102 27.370 1.00 0.00 O ATOM 96 CB LYS A 6 48.829 51.220 29.175 1.00 0.00 C ATOM 97 CG LYS A 6 48.074 52.448 29.677 1.00 0.00 C ATOM 98 CD LYS A 6 48.034 52.477 31.202 1.00 0.00 C ATOM 99 CE LYS A 6 47.248 53.693 31.684 1.00 0.00 C ATOM 100 NZ LYS A 6 47.253 53.791 33.152 1.00 0.00 N ATOM 0 H LYS A 6 47.298 49.926 27.484 1.00 0.00 H new ATOM 0 HA LYS A 6 49.128 52.220 27.325 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.328 50.316 29.523 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.833 51.211 29.598 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.555 53.353 29.305 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.058 52.441 29.283 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.573 51.564 31.579 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.048 52.509 31.599 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.678 54.599 31.256 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.220 53.629 31.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.710 54.628 33.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.820 52.937 33.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.232 53.877 33.491 1.00 0.00 H new ATOM 168 N LYS A 11 52.512 54.520 27.926 1.00 0.00 N ATOM 169 CA LYS A 11 51.940 55.515 27.042 1.00 0.00 C ATOM 170 C LYS A 11 50.514 55.112 26.658 1.00 0.00 C ATOM 171 O LYS A 11 50.317 53.979 26.226 1.00 0.00 O ATOM 172 CB LYS A 11 52.836 55.684 25.818 1.00 0.00 C ATOM 173 CG LYS A 11 52.465 56.898 24.971 1.00 0.00 C ATOM 174 CD LYS A 11 53.382 57.006 23.755 1.00 0.00 C ATOM 175 CE LYS A 11 53.169 58.299 22.975 1.00 0.00 C ATOM 176 NZ LYS A 11 51.954 58.283 22.146 1.00 0.00 N ATOM 0 HA LYS A 11 51.882 56.478 27.550 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.872 55.778 26.143 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.775 54.786 25.203 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.428 56.817 24.645 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.541 57.804 25.572 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.421 56.949 24.081 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.208 56.155 23.096 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.112 59.133 23.675 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.034 58.477 22.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.969 59.092 21.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.918 57.398 21.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.115 58.347 22.758 1.00 0.00 H new ATOM 190 N THR A 12 49.550 56.016 26.809 1.00 0.00 N ATOM 191 CA THR A 12 48.142 55.704 26.675 1.00 0.00 C ATOM 192 C THR A 12 47.605 56.119 25.304 1.00 0.00 C ATOM 193 O THR A 12 47.612 57.291 24.937 1.00 0.00 O ATOM 194 CB THR A 12 47.314 56.325 27.797 1.00 0.00 C ATOM 195 OG1 THR A 12 47.823 55.916 29.046 1.00 0.00 O ATOM 196 CG2 THR A 12 45.858 55.869 27.772 1.00 0.00 C ATOM 0 H THR A 12 49.733 56.995 27.030 1.00 0.00 H new ATOM 0 HA THR A 12 48.047 54.621 26.758 1.00 0.00 H new ATOM 0 HB THR A 12 47.369 57.404 27.651 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.290 56.318 29.764 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.315 56.341 28.591 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.404 56.154 26.823 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.814 54.786 27.884 1.00 0.00 H new ATOM 204 N ILE A 13 47.116 55.140 24.547 1.00 0.00 N ATOM 205 CA ILE A 13 46.518 55.270 23.233 1.00 0.00 C ATOM 206 C ILE A 13 45.011 55.046 23.362 1.00 0.00 C ATOM 207 O ILE A 13 44.586 54.189 24.133 1.00 0.00 O ATOM 208 CB ILE A 13 47.200 54.302 22.270 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.570 54.773 21.792 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.377 54.040 21.012 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.667 54.887 22.846 1.00 0.00 C ATOM 0 H ILE A 13 47.131 54.170 24.863 1.00 0.00 H new ATOM 0 HA ILE A 13 46.663 56.268 22.820 1.00 0.00 H new ATOM 0 HB ILE A 13 47.304 53.395 22.866 1.00 0.00 H new ATOM 0 HG12 ILE A 13 48.913 54.087 21.018 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.448 55.749 21.322 1.00 0.00 H new ATOM 0 HG21 ILE A 13 46.912 53.345 20.365 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.415 53.610 21.290 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.215 54.978 20.481 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.589 55.231 22.376 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.362 55.600 23.612 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.835 53.912 23.303 1.00 0.00 H new ATOM 223 N THR A 14 44.200 55.776 22.600 1.00 0.00 N ATOM 224 CA THR A 14 42.756 55.661 22.555 1.00 0.00 C ATOM 225 C THR A 14 42.305 55.125 21.196 1.00 0.00 C ATOM 226 O THR A 14 42.701 55.667 20.166 1.00 0.00 O ATOM 227 CB THR A 14 42.108 57.020 22.808 1.00 0.00 C ATOM 228 OG1 THR A 14 42.485 57.524 24.070 1.00 0.00 O ATOM 229 CG2 THR A 14 40.583 56.950 22.836 1.00 0.00 C ATOM 0 H THR A 14 44.555 56.496 21.970 1.00 0.00 H new ATOM 0 HA THR A 14 42.444 54.965 23.334 1.00 0.00 H new ATOM 0 HB THR A 14 42.445 57.655 21.988 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.968 57.073 24.770 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.176 57.945 23.019 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.218 56.580 21.878 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.264 56.276 23.631 1.00 0.00 H new ATOM 237 N LEU A 15 41.457 54.100 21.185 1.00 0.00 N ATOM 238 CA LEU A 15 40.939 53.467 19.989 1.00 0.00 C ATOM 239 C LEU A 15 39.411 53.391 19.973 1.00 0.00 C ATOM 240 O LEU A 15 38.755 53.361 21.012 1.00 0.00 O ATOM 241 CB LEU A 15 41.521 52.065 19.833 1.00 0.00 C ATOM 242 CG LEU A 15 43.029 51.973 19.615 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.442 50.505 19.561 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.472 52.643 18.317 1.00 0.00 C ATOM 0 H LEU A 15 41.103 53.677 22.043 1.00 0.00 H new ATOM 0 HA LEU A 15 41.245 54.092 19.150 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.270 51.490 20.724 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.025 51.581 18.992 1.00 0.00 H new ATOM 0 HG LEU A 15 43.507 52.491 20.446 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.519 50.435 19.405 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.179 50.018 20.500 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.924 50.011 18.739 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.553 52.549 18.210 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.980 52.161 17.472 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.200 53.698 18.341 1.00 0.00 H new ATOM 256 N GLU A 16 38.841 53.309 18.774 1.00 0.00 N ATOM 257 CA GLU A 16 37.477 52.897 18.515 1.00 0.00 C ATOM 258 C GLU A 16 37.486 51.486 17.924 1.00 0.00 C ATOM 259 O GLU A 16 38.191 51.223 16.952 1.00 0.00 O ATOM 260 CB GLU A 16 36.813 53.909 17.587 1.00 0.00 C ATOM 261 CG GLU A 16 35.316 53.694 17.385 1.00 0.00 C ATOM 262 CD GLU A 16 34.465 53.955 18.630 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.810 54.827 19.456 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.387 53.329 18.736 1.00 0.00 O ATOM 0 H GLU A 16 39.348 53.541 17.920 1.00 0.00 H new ATOM 0 HA GLU A 16 36.898 52.868 19.438 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.973 54.910 17.988 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.307 53.872 16.616 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.973 54.347 16.582 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.150 52.668 17.055 1.00 0.00 H new ATOM 271 N VAL A 17 36.735 50.564 18.522 1.00 0.00 N ATOM 272 CA VAL A 17 36.658 49.167 18.148 1.00 0.00 C ATOM 273 C VAL A 17 35.210 48.671 18.150 1.00 0.00 C ATOM 274 O VAL A 17 34.395 49.145 18.937 1.00 0.00 O ATOM 275 CB VAL A 17 37.519 48.291 19.054 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.004 48.610 18.904 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.154 48.401 20.531 1.00 0.00 C ATOM 0 H VAL A 17 36.138 50.789 19.318 1.00 0.00 H new ATOM 0 HA VAL A 17 37.049 49.088 17.134 1.00 0.00 H new ATOM 0 HB VAL A 17 37.317 47.272 18.725 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.583 47.965 19.565 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.310 48.440 17.872 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.181 49.653 19.168 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.806 47.752 21.116 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.278 49.433 20.861 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.117 48.097 20.673 1.00 0.00 H new ATOM 287 N GLU A 18 34.886 47.709 17.290 1.00 0.00 N ATOM 288 CA GLU A 18 33.576 47.090 17.252 1.00 0.00 C ATOM 289 C GLU A 18 33.519 45.804 18.079 1.00 0.00 C ATOM 290 O GLU A 18 34.501 45.065 18.089 1.00 0.00 O ATOM 291 CB GLU A 18 33.138 46.822 15.815 1.00 0.00 C ATOM 292 CG GLU A 18 32.816 48.085 15.022 1.00 0.00 C ATOM 293 CD GLU A 18 32.393 47.747 13.590 1.00 0.00 C ATOM 294 OE1 GLU A 18 32.966 48.309 12.632 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.471 46.924 13.404 1.00 0.00 O ATOM 0 H GLU A 18 35.535 47.338 16.596 1.00 0.00 H new ATOM 0 HA GLU A 18 32.880 47.798 17.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.927 46.273 15.301 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.258 46.178 15.827 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.018 48.636 15.519 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.689 48.737 15.002 1.00 0.00 H new ATOM 302 N PRO A 19 32.418 45.458 18.740 1.00 0.00 N ATOM 303 CA PRO A 19 32.394 44.350 19.674 1.00 0.00 C ATOM 304 C PRO A 19 32.701 42.962 19.109 1.00 0.00 C ATOM 305 O PRO A 19 33.201 42.118 19.851 1.00 0.00 O ATOM 306 CB PRO A 19 31.008 44.361 20.312 1.00 0.00 C ATOM 307 CG PRO A 19 30.570 45.818 20.193 1.00 0.00 C ATOM 308 CD PRO A 19 31.190 46.219 18.858 1.00 0.00 C ATOM 0 HA PRO A 19 33.211 44.510 20.378 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.322 43.692 19.792 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.043 44.036 21.352 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.485 45.920 20.187 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.943 46.426 21.017 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.514 45.998 18.032 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.391 47.290 18.828 1.00 0.00 H new ATOM 316 N SER A 20 32.402 42.714 17.838 1.00 0.00 N ATOM 317 CA SER A 20 32.704 41.482 17.138 1.00 0.00 C ATOM 318 C SER A 20 33.934 41.565 16.231 1.00 0.00 C ATOM 319 O SER A 20 34.193 40.640 15.464 1.00 0.00 O ATOM 320 CB SER A 20 31.491 40.967 16.369 1.00 0.00 C ATOM 321 OG SER A 20 30.393 40.754 17.229 1.00 0.00 O ATOM 0 H SER A 20 31.924 43.396 17.249 1.00 0.00 H new ATOM 0 HA SER A 20 32.958 40.762 17.916 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.216 41.684 15.596 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.746 40.036 15.864 1.00 0.00 H new ATOM 0 HG SER A 20 29.629 40.426 16.710 1.00 0.00 H new ATOM 327 N ASP A 21 34.711 42.641 16.303 1.00 0.00 N ATOM 328 CA ASP A 21 36.007 42.726 15.662 1.00 0.00 C ATOM 329 C ASP A 21 37.076 41.995 16.478 1.00 0.00 C ATOM 330 O ASP A 21 36.904 41.768 17.674 1.00 0.00 O ATOM 331 CB ASP A 21 36.359 44.187 15.395 1.00 0.00 C ATOM 332 CG ASP A 21 37.454 44.354 14.340 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.487 43.578 13.360 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.259 45.304 14.447 1.00 0.00 O ATOM 0 H ASP A 21 34.451 43.484 16.815 1.00 0.00 H new ATOM 0 HA ASP A 21 35.966 42.219 14.698 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.464 44.717 15.069 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.684 44.653 16.325 1.00 0.00 H new ATOM 339 N THR A 22 38.165 41.571 15.844 1.00 0.00 N ATOM 340 CA THR A 22 39.158 40.713 16.458 1.00 0.00 C ATOM 341 C THR A 22 40.190 41.463 17.304 1.00 0.00 C ATOM 342 O THR A 22 40.476 42.633 17.062 1.00 0.00 O ATOM 343 CB THR A 22 39.868 39.840 15.425 1.00 0.00 C ATOM 344 OG1 THR A 22 40.530 40.671 14.498 1.00 0.00 O ATOM 345 CG2 THR A 22 38.914 38.928 14.659 1.00 0.00 C ATOM 0 H THR A 22 38.380 41.820 14.878 1.00 0.00 H new ATOM 0 HA THR A 22 38.593 40.077 17.140 1.00 0.00 H new ATOM 0 HB THR A 22 40.567 39.205 15.969 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.989 40.118 13.832 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.478 38.333 13.940 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.404 38.265 15.358 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.178 39.533 14.131 1.00 0.00 H new ATOM 353 N ILE A 23 40.810 40.784 18.264 1.00 0.00 N ATOM 354 CA ILE A 23 41.960 41.289 18.987 1.00 0.00 C ATOM 355 C ILE A 23 43.193 41.351 18.082 1.00 0.00 C ATOM 356 O ILE A 23 44.006 42.265 18.205 1.00 0.00 O ATOM 357 CB ILE A 23 42.233 40.483 20.253 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.033 40.234 21.162 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.334 41.141 21.080 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.240 41.466 21.588 1.00 0.00 C ATOM 0 H ILE A 23 40.519 39.853 18.562 1.00 0.00 H new ATOM 0 HA ILE A 23 41.728 42.306 19.303 1.00 0.00 H new ATOM 0 HB ILE A 23 42.533 39.505 19.875 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.354 39.550 20.653 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.384 39.726 22.060 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.515 40.552 21.979 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.249 41.194 20.491 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.025 42.148 21.362 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.414 41.162 22.231 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.892 42.148 22.134 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.847 41.969 20.705 1.00 0.00 H new ATOM 372 N GLU A 24 43.301 40.471 17.091 1.00 0.00 N ATOM 373 CA GLU A 24 44.216 40.611 15.976 1.00 0.00 C ATOM 374 C GLU A 24 44.113 41.990 15.320 1.00 0.00 C ATOM 375 O GLU A 24 45.125 42.650 15.095 1.00 0.00 O ATOM 376 CB GLU A 24 43.922 39.495 14.977 1.00 0.00 C ATOM 377 CG GLU A 24 44.712 39.575 13.674 1.00 0.00 C ATOM 378 CD GLU A 24 44.344 38.403 12.761 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.541 38.590 11.823 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.871 37.293 12.990 1.00 0.00 O ATOM 0 H GLU A 24 42.738 39.622 17.045 1.00 0.00 H new ATOM 0 HA GLU A 24 45.241 40.527 16.337 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.130 38.537 15.453 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.858 39.509 14.741 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.502 40.518 13.170 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.781 39.558 13.887 1.00 0.00 H new ATOM 387 N ASN A 25 42.893 42.464 15.087 1.00 0.00 N ATOM 388 CA ASN A 25 42.632 43.788 14.562 1.00 0.00 C ATOM 389 C ASN A 25 42.899 44.912 15.565 1.00 0.00 C ATOM 390 O ASN A 25 43.242 46.010 15.131 1.00 0.00 O ATOM 391 CB ASN A 25 41.220 43.814 13.982 1.00 0.00 C ATOM 392 CG ASN A 25 41.096 43.140 12.614 1.00 0.00 C ATOM 393 OD1 ASN A 25 42.055 42.659 12.015 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.899 43.108 12.034 1.00 0.00 N ATOM 0 H ASN A 25 42.046 41.924 15.263 1.00 0.00 H new ATOM 0 HA ASN A 25 43.345 43.992 13.763 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.542 43.323 14.680 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.893 44.850 13.896 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.791 42.690 11.110 1.00 0.00 H new ATOM 0 HD22 ASN A 25 39.089 43.502 12.513 1.00 0.00 H new ATOM 401 N VAL A 26 42.881 44.662 16.871 1.00 0.00 N ATOM 402 CA VAL A 26 43.344 45.613 17.862 1.00 0.00 C ATOM 403 C VAL A 26 44.862 45.784 17.777 1.00 0.00 C ATOM 404 O VAL A 26 45.331 46.919 17.745 1.00 0.00 O ATOM 405 CB VAL A 26 42.918 45.272 19.287 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.397 46.315 20.292 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.403 45.185 19.450 1.00 0.00 C ATOM 0 H VAL A 26 42.541 43.786 17.268 1.00 0.00 H new ATOM 0 HA VAL A 26 42.859 46.559 17.622 1.00 0.00 H new ATOM 0 HB VAL A 26 43.374 44.301 19.479 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.071 46.032 21.293 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.485 46.372 20.267 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.977 47.288 20.035 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.162 44.940 20.484 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.953 46.143 19.190 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.010 44.410 18.792 1.00 0.00 H new ATOM 417 N LYS A 27 45.637 44.711 17.650 1.00 0.00 N ATOM 418 CA LYS A 27 47.066 44.799 17.426 1.00 0.00 C ATOM 419 C LYS A 27 47.411 45.533 16.130 1.00 0.00 C ATOM 420 O LYS A 27 48.358 46.318 16.104 1.00 0.00 O ATOM 421 CB LYS A 27 47.717 43.419 17.451 1.00 0.00 C ATOM 422 CG LYS A 27 47.687 42.776 18.834 1.00 0.00 C ATOM 423 CD LYS A 27 48.465 41.463 18.798 1.00 0.00 C ATOM 424 CE LYS A 27 48.493 40.813 20.179 1.00 0.00 C ATOM 425 NZ LYS A 27 48.941 39.416 20.078 1.00 0.00 N ATOM 0 H LYS A 27 45.285 43.755 17.701 1.00 0.00 H new ATOM 0 HA LYS A 27 47.472 45.388 18.248 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.206 42.768 16.742 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.751 43.504 17.117 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.124 43.450 19.571 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.657 42.593 19.140 1.00 0.00 H new ATOM 0 HD2 LYS A 27 48.007 40.783 18.080 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.484 41.648 18.457 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.161 41.369 20.837 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.500 40.852 20.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.906 38.972 21.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.317 38.898 19.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.916 39.389 19.718 1.00 0.00 H new ATOM 439 N ALA A 28 46.612 45.359 15.081 1.00 0.00 N ATOM 440 CA ALA A 28 46.750 46.113 13.852 1.00 0.00 C ATOM 441 C ALA A 28 46.488 47.610 14.030 1.00 0.00 C ATOM 442 O ALA A 28 47.198 48.423 13.443 1.00 0.00 O ATOM 443 CB ALA A 28 45.847 45.487 12.793 1.00 0.00 C ATOM 0 H ALA A 28 45.847 44.684 15.066 1.00 0.00 H new ATOM 0 HA ALA A 28 47.788 46.055 13.524 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.940 46.044 11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.144 44.451 12.628 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.812 45.518 13.133 1.00 0.00 H new ATOM 449 N LYS A 29 45.548 47.999 14.886 1.00 0.00 N ATOM 450 CA LYS A 29 45.304 49.382 15.245 1.00 0.00 C ATOM 451 C LYS A 29 46.381 49.963 16.163 1.00 0.00 C ATOM 452 O LYS A 29 46.713 51.140 16.039 1.00 0.00 O ATOM 453 CB LYS A 29 43.910 49.531 15.847 1.00 0.00 C ATOM 454 CG LYS A 29 42.821 49.465 14.781 1.00 0.00 C ATOM 455 CD LYS A 29 41.418 49.600 15.367 1.00 0.00 C ATOM 456 CE LYS A 29 40.431 49.852 14.232 1.00 0.00 C ATOM 457 NZ LYS A 29 39.034 49.871 14.691 1.00 0.00 N ATOM 0 H LYS A 29 44.924 47.343 15.357 1.00 0.00 H new ATOM 0 HA LYS A 29 45.355 49.968 14.327 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.746 48.744 16.583 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.843 50.481 16.377 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.984 50.258 14.051 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.898 48.518 14.246 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.147 48.694 15.908 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.386 50.421 16.084 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.666 50.804 13.756 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.550 49.078 13.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.423 50.227 13.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.740 48.907 14.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.950 50.492 15.521 1.00 0.00 H new ATOM 471 N ILE A 30 46.993 49.159 17.028 1.00 0.00 N ATOM 472 CA ILE A 30 48.162 49.546 17.791 1.00 0.00 C ATOM 473 C ILE A 30 49.353 49.799 16.864 1.00 0.00 C ATOM 474 O ILE A 30 50.069 50.778 17.058 1.00 0.00 O ATOM 475 CB ILE A 30 48.459 48.525 18.886 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.348 48.511 19.933 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.798 48.797 19.565 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.329 47.263 20.813 1.00 0.00 C ATOM 0 H ILE A 30 46.681 48.207 17.217 1.00 0.00 H new ATOM 0 HA ILE A 30 47.959 50.489 18.299 1.00 0.00 H new ATOM 0 HB ILE A 30 48.511 47.549 18.404 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.454 49.389 20.570 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.387 48.599 19.427 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.973 48.049 20.338 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.597 48.748 18.826 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.782 49.789 20.017 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.510 47.335 21.528 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.190 46.380 20.189 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.274 47.182 21.350 1.00 0.00 H new ATOM 490 N GLN A 31 49.541 48.998 15.818 1.00 0.00 N ATOM 491 CA GLN A 31 50.521 49.283 14.789 1.00 0.00 C ATOM 492 C GLN A 31 50.183 50.558 14.014 1.00 0.00 C ATOM 493 O GLN A 31 51.089 51.337 13.723 1.00 0.00 O ATOM 494 CB GLN A 31 50.713 48.078 13.874 1.00 0.00 C ATOM 495 CG GLN A 31 52.019 48.194 13.091 1.00 0.00 C ATOM 496 CD GLN A 31 52.282 47.073 12.083 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.478 46.178 11.835 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.448 47.095 11.441 1.00 0.00 N ATOM 0 H GLN A 31 49.016 48.137 15.666 1.00 0.00 H new ATOM 0 HA GLN A 31 51.476 49.473 15.280 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.719 47.163 14.467 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.874 48.004 13.182 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.021 49.145 12.559 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.846 48.224 13.800 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.125 47.833 11.637 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.665 46.374 10.753 1.00 0.00 H new ATOM 507 N ASP A 32 48.914 50.844 13.734 1.00 0.00 N ATOM 508 CA ASP A 32 48.512 52.094 13.121 1.00 0.00 C ATOM 509 C ASP A 32 48.856 53.313 13.979 1.00 0.00 C ATOM 510 O ASP A 32 49.418 54.280 13.470 1.00 0.00 O ATOM 511 CB ASP A 32 47.024 52.079 12.780 1.00 0.00 C ATOM 512 CG ASP A 32 46.653 53.270 11.893 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.058 53.267 10.711 1.00 0.00 O ATOM 514 OD2 ASP A 32 45.995 54.218 12.373 1.00 0.00 O ATOM 0 H ASP A 32 48.139 50.210 13.929 1.00 0.00 H new ATOM 0 HA ASP A 32 49.085 52.186 12.198 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.773 51.149 12.270 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.437 52.107 13.698 1.00 0.00 H new ATOM 519 N LYS A 33 48.559 53.269 15.275 1.00 0.00 N ATOM 520 CA LYS A 33 48.803 54.351 16.207 1.00 0.00 C ATOM 521 C LYS A 33 50.271 54.572 16.580 1.00 0.00 C ATOM 522 O LYS A 33 50.678 55.724 16.712 1.00 0.00 O ATOM 523 CB LYS A 33 47.965 54.143 17.465 1.00 0.00 C ATOM 524 CG LYS A 33 46.500 54.543 17.314 1.00 0.00 C ATOM 525 CD LYS A 33 46.335 56.033 17.035 1.00 0.00 C ATOM 526 CE LYS A 33 45.019 56.565 17.594 1.00 0.00 C ATOM 527 NZ LYS A 33 44.901 58.013 17.373 1.00 0.00 N ATOM 0 H LYS A 33 48.130 52.453 15.712 1.00 0.00 H new ATOM 0 HA LYS A 33 48.506 55.260 15.684 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.015 53.093 17.752 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.405 54.718 18.280 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.051 53.971 16.502 1.00 0.00 H new ATOM 0 HG3 LYS A 33 45.959 54.283 18.224 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.167 56.581 17.477 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.372 56.209 15.960 1.00 0.00 H new ATOM 0 HE2 LYS A 33 44.183 56.051 17.118 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.959 56.350 18.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.998 58.351 17.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.687 58.502 17.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.935 58.212 16.353 1.00 0.00 H new ATOM 541 N GLU A 34 51.046 53.515 16.804 1.00 0.00 N ATOM 542 CA GLU A 34 52.358 53.590 17.412 1.00 0.00 C ATOM 543 C GLU A 34 53.470 52.872 16.644 1.00 0.00 C ATOM 544 O GLU A 34 54.630 52.987 17.033 1.00 0.00 O ATOM 545 CB GLU A 34 52.266 53.049 18.836 1.00 0.00 C ATOM 546 CG GLU A 34 51.677 54.035 19.840 1.00 0.00 C ATOM 547 CD GLU A 34 52.605 55.214 20.141 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.146 56.376 20.162 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.813 54.997 20.375 1.00 0.00 O ATOM 0 H GLU A 34 50.768 52.565 16.560 1.00 0.00 H new ATOM 0 HA GLU A 34 52.646 54.641 17.398 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.657 52.145 18.831 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.263 52.760 19.169 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.731 54.415 19.455 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.455 53.509 20.769 1.00 0.00 H new ATOM 556 N GLY A 35 53.166 52.133 15.580 1.00 0.00 N ATOM 557 CA GLY A 35 54.148 51.407 14.799 1.00 0.00 C ATOM 558 C GLY A 35 54.727 50.159 15.467 1.00 0.00 C ATOM 559 O GLY A 35 55.666 49.574 14.933 1.00 0.00 O ATOM 0 H GLY A 35 52.212 52.024 15.235 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.690 51.113 13.854 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.968 52.083 14.559 1.00 0.00 H new ATOM 563 N ILE A 36 54.184 49.738 16.606 1.00 0.00 N ATOM 564 CA ILE A 36 54.624 48.581 17.359 1.00 0.00 C ATOM 565 C ILE A 36 54.236 47.319 16.586 1.00 0.00 C ATOM 566 O ILE A 36 53.057 47.172 16.272 1.00 0.00 O ATOM 567 CB ILE A 36 54.027 48.591 18.765 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.455 49.821 19.560 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.416 47.334 19.538 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.595 50.096 20.790 1.00 0.00 C ATOM 0 H ILE A 36 53.395 50.216 17.041 1.00 0.00 H new ATOM 0 HA ILE A 36 55.707 48.604 17.478 1.00 0.00 H new ATOM 0 HB ILE A 36 52.945 48.619 18.640 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.491 49.695 19.875 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.424 50.692 18.906 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.977 47.369 20.535 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.048 46.454 19.010 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.501 47.280 19.622 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.964 50.986 21.300 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.561 50.256 20.483 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.645 49.243 21.467 1.00 0.00 H new ATOM 582 N PRO A 37 55.153 46.408 16.270 1.00 0.00 N ATOM 583 CA PRO A 37 54.838 45.226 15.492 1.00 0.00 C ATOM 584 C PRO A 37 53.867 44.277 16.199 1.00 0.00 C ATOM 585 O PRO A 37 54.004 44.076 17.404 1.00 0.00 O ATOM 586 CB PRO A 37 56.166 44.529 15.210 1.00 0.00 C ATOM 587 CG PRO A 37 57.203 45.639 15.354 1.00 0.00 C ATOM 588 CD PRO A 37 56.588 46.516 16.440 1.00 0.00 C ATOM 0 HA PRO A 37 54.327 45.520 14.575 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.349 43.718 15.915 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.184 44.093 14.211 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.178 45.250 15.648 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.346 46.186 14.422 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.891 46.180 17.432 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.917 47.550 16.340 1.00 0.00 H new ATOM 596 N PRO A 38 52.931 43.633 15.507 1.00 0.00 N ATOM 597 CA PRO A 38 52.026 42.668 16.099 1.00 0.00 C ATOM 598 C PRO A 38 52.701 41.471 16.772 1.00 0.00 C ATOM 599 O PRO A 38 52.135 40.896 17.699 1.00 0.00 O ATOM 600 CB PRO A 38 51.099 42.211 14.976 1.00 0.00 C ATOM 601 CG PRO A 38 51.070 43.418 14.043 1.00 0.00 C ATOM 602 CD PRO A 38 52.492 43.957 14.165 1.00 0.00 C ATOM 0 HA PRO A 38 51.493 43.152 16.918 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.481 41.322 14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.105 41.965 15.348 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.829 43.134 13.018 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.328 44.154 14.353 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.146 43.503 13.421 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.516 45.034 13.996 1.00 0.00 H new ATOM 610 N ASP A 39 53.914 41.102 16.373 1.00 0.00 N ATOM 611 CA ASP A 39 54.661 40.008 16.961 1.00 0.00 C ATOM 612 C ASP A 39 55.413 40.367 18.244 1.00 0.00 C ATOM 613 O ASP A 39 55.950 39.472 18.893 1.00 0.00 O ATOM 614 CB ASP A 39 55.607 39.421 15.918 1.00 0.00 C ATOM 615 CG ASP A 39 56.792 40.341 15.615 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.608 41.345 14.894 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.906 40.059 16.106 1.00 0.00 O ATOM 0 H ASP A 39 54.411 41.569 15.615 1.00 0.00 H new ATOM 0 HA ASP A 39 53.927 39.264 17.270 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.979 38.459 16.271 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.055 39.231 14.998 1.00 0.00 H new ATOM 622 N GLN A 40 55.454 41.642 18.620 1.00 0.00 N ATOM 623 CA GLN A 40 56.157 42.165 19.775 1.00 0.00 C ATOM 624 C GLN A 40 55.227 42.568 20.921 1.00 0.00 C ATOM 625 O GLN A 40 55.642 43.272 21.840 1.00 0.00 O ATOM 626 CB GLN A 40 57.053 43.323 19.342 1.00 0.00 C ATOM 627 CG GLN A 40 58.163 42.955 18.363 1.00 0.00 C ATOM 628 CD GLN A 40 59.209 42.007 18.953 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.916 42.332 19.904 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.353 40.799 18.415 1.00 0.00 N ATOM 0 H GLN A 40 54.971 42.372 18.096 1.00 0.00 H new ATOM 0 HA GLN A 40 56.773 41.361 20.178 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.430 44.093 18.887 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.505 43.763 20.231 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.720 42.491 17.482 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.658 43.867 18.028 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.771 40.520 17.625 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.045 40.152 18.792 1.00 0.00 H new ATOM 639 N GLN A 41 53.962 42.162 20.883 1.00 0.00 N ATOM 640 CA GLN A 41 52.945 42.594 21.821 1.00 0.00 C ATOM 641 C GLN A 41 51.959 41.484 22.192 1.00 0.00 C ATOM 642 O GLN A 41 51.503 40.738 21.328 1.00 0.00 O ATOM 643 CB GLN A 41 52.246 43.827 21.258 1.00 0.00 C ATOM 644 CG GLN A 41 51.463 43.582 19.971 1.00 0.00 C ATOM 645 CD GLN A 41 50.919 44.875 19.358 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.854 45.366 19.722 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.627 45.456 18.394 1.00 0.00 N ATOM 0 H GLN A 41 53.613 41.509 20.182 1.00 0.00 H new ATOM 0 HA GLN A 41 53.432 42.855 22.761 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.565 44.219 22.013 1.00 0.00 H new ATOM 0 HB3 GLN A 41 52.993 44.599 21.072 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.108 43.084 19.247 1.00 0.00 H new ATOM 0 HG3 GLN A 41 50.634 42.905 20.178 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.511 45.046 18.093 1.00 0.00 H new ATOM 0 HE22 GLN A 41 51.286 46.311 17.955 1.00 0.00 H new ATOM 656 N ARG A 42 51.587 41.396 23.467 1.00 0.00 N ATOM 657 CA ARG A 42 50.517 40.562 23.977 1.00 0.00 C ATOM 658 C ARG A 42 49.620 41.399 24.890 1.00 0.00 C ATOM 659 O ARG A 42 50.139 42.101 25.756 1.00 0.00 O ATOM 660 CB ARG A 42 51.104 39.372 24.731 1.00 0.00 C ATOM 661 CG ARG A 42 50.121 38.217 24.903 1.00 0.00 C ATOM 662 CD ARG A 42 50.078 37.298 23.686 1.00 0.00 C ATOM 663 NE ARG A 42 51.117 36.270 23.750 1.00 0.00 N ATOM 664 CZ ARG A 42 51.903 35.825 22.760 1.00 0.00 C ATOM 665 NH1 ARG A 42 51.824 36.296 21.508 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.790 34.855 23.026 1.00 0.00 N ATOM 0 H ARG A 42 52.049 41.932 24.202 1.00 0.00 H new ATOM 0 HA ARG A 42 49.918 40.179 23.151 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.985 39.013 24.199 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.439 39.704 25.714 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.399 37.636 25.783 1.00 0.00 H new ATOM 0 HG3 ARG A 42 49.124 38.617 25.087 1.00 0.00 H new ATOM 0 HD2 ARG A 42 49.099 36.823 23.623 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.205 37.889 22.779 1.00 0.00 H new ATOM 0 HE ARG A 42 51.261 35.838 24.663 1.00 0.00 H new ATOM 0 HH11 ARG A 42 51.146 37.022 21.278 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.442 35.928 20.785 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.857 34.470 23.968 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.397 34.503 22.286 1.00 0.00 H new ATOM 680 N LEU A 43 48.308 41.350 24.681 1.00 0.00 N ATOM 681 CA LEU A 43 47.346 42.189 25.366 1.00 0.00 C ATOM 682 C LEU A 43 46.816 41.528 26.640 1.00 0.00 C ATOM 683 O LEU A 43 46.417 40.366 26.620 1.00 0.00 O ATOM 684 CB LEU A 43 46.233 42.595 24.405 1.00 0.00 C ATOM 685 CG LEU A 43 46.655 43.669 23.406 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.719 43.682 22.201 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.630 45.062 24.030 1.00 0.00 C ATOM 0 H LEU A 43 47.880 40.708 24.014 1.00 0.00 H new ATOM 0 HA LEU A 43 47.849 43.098 25.696 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.896 41.714 23.859 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.382 42.959 24.980 1.00 0.00 H new ATOM 0 HG LEU A 43 47.672 43.425 23.099 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.037 44.455 21.501 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.748 42.711 21.707 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.702 43.890 22.533 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.937 45.799 23.288 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.620 45.290 24.372 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.315 45.094 24.877 1.00 0.00 H new ATOM 699 N ILE A 44 46.796 42.285 27.734 1.00 0.00 N ATOM 700 CA ILE A 44 46.425 41.867 29.071 1.00 0.00 C ATOM 701 C ILE A 44 45.262 42.715 29.591 1.00 0.00 C ATOM 702 O ILE A 44 45.300 43.939 29.479 1.00 0.00 O ATOM 703 CB ILE A 44 47.628 41.975 30.004 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.908 41.312 29.504 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.284 41.455 31.397 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.834 39.811 29.241 1.00 0.00 C ATOM 0 H ILE A 44 47.057 43.271 27.701 1.00 0.00 H new ATOM 0 HA ILE A 44 46.101 40.827 29.039 1.00 0.00 H new ATOM 0 HB ILE A 44 47.848 43.042 30.037 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.211 41.806 28.581 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.695 41.493 30.236 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.157 41.542 32.044 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.465 42.042 31.812 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.984 40.409 31.331 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.803 39.455 28.890 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.569 39.293 30.163 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.078 39.611 28.482 1.00 0.00 H new ATOM 718 N PHE A 45 44.244 42.081 30.166 1.00 0.00 N ATOM 719 CA PHE A 45 43.097 42.730 30.768 1.00 0.00 C ATOM 720 C PHE A 45 42.376 41.837 31.779 1.00 0.00 C ATOM 721 O PHE A 45 42.245 40.633 31.563 1.00 0.00 O ATOM 722 CB PHE A 45 42.133 43.142 29.658 1.00 0.00 C ATOM 723 CG PHE A 45 40.854 43.784 30.140 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.895 45.013 30.809 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.630 43.129 29.963 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.716 45.586 31.300 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.448 43.706 30.443 1.00 0.00 C ATOM 728 CZ PHE A 45 38.490 44.937 31.106 1.00 0.00 C ATOM 0 H PHE A 45 44.199 41.064 30.224 1.00 0.00 H new ATOM 0 HA PHE A 45 43.453 43.601 31.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.644 43.837 28.991 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.881 42.261 29.068 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.838 45.520 30.947 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.597 42.176 29.455 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.752 46.528 31.828 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.504 43.201 30.301 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.577 45.387 31.468 1.00 0.00 H new ATOM 738 N ALA A 46 41.868 42.420 32.861 1.00 0.00 N ATOM 739 CA ALA A 46 41.026 41.790 33.858 1.00 0.00 C ATOM 740 C ALA A 46 41.516 40.415 34.317 1.00 0.00 C ATOM 741 O ALA A 46 40.787 39.426 34.271 1.00 0.00 O ATOM 742 CB ALA A 46 39.579 41.817 33.372 1.00 0.00 C ATOM 0 H ALA A 46 42.047 43.402 33.072 1.00 0.00 H new ATOM 0 HA ALA A 46 41.087 42.371 34.778 1.00 0.00 H new ATOM 0 HB1 ALA A 46 38.937 41.345 34.115 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.264 42.850 33.224 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.502 41.275 32.429 1.00 0.00 H new ATOM 748 N GLY A 47 42.788 40.346 34.699 1.00 0.00 N ATOM 749 CA GLY A 47 43.439 39.153 35.204 1.00 0.00 C ATOM 750 C GLY A 47 43.820 38.112 34.148 1.00 0.00 C ATOM 751 O GLY A 47 44.294 37.043 34.526 1.00 0.00 O ATOM 0 H GLY A 47 43.412 41.152 34.662 1.00 0.00 H new ATOM 0 HA2 GLY A 47 44.342 39.451 35.737 1.00 0.00 H new ATOM 0 HA3 GLY A 47 42.780 38.681 35.933 1.00 0.00 H new ATOM 755 N LYS A 48 43.605 38.381 32.864 1.00 0.00 N ATOM 756 CA LYS A 48 43.718 37.440 31.767 1.00 0.00 C ATOM 757 C LYS A 48 44.576 37.988 30.624 1.00 0.00 C ATOM 758 O LYS A 48 44.658 39.194 30.403 1.00 0.00 O ATOM 759 CB LYS A 48 42.327 37.096 31.242 1.00 0.00 C ATOM 760 CG LYS A 48 41.435 36.415 32.274 1.00 0.00 C ATOM 761 CD LYS A 48 40.036 36.094 31.756 1.00 0.00 C ATOM 762 CE LYS A 48 39.232 37.305 31.292 1.00 0.00 C ATOM 763 NZ LYS A 48 38.937 38.248 32.382 1.00 0.00 N ATOM 0 H LYS A 48 43.333 39.312 32.550 1.00 0.00 H new ATOM 0 HA LYS A 48 44.209 36.545 32.149 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.841 38.010 30.901 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.427 36.444 30.374 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.913 35.492 32.602 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.350 37.058 33.150 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.123 35.394 30.925 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.480 35.586 32.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.785 37.824 30.509 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.296 36.965 30.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.464 39.089 31.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.314 37.790 33.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.824 38.532 32.845 1.00 0.00 H new ATOM 777 N GLN A 49 45.163 37.085 29.843 1.00 0.00 N ATOM 778 CA GLN A 49 45.827 37.382 28.591 1.00 0.00 C ATOM 779 C GLN A 49 44.873 37.121 27.423 1.00 0.00 C ATOM 780 O GLN A 49 44.284 36.046 27.333 1.00 0.00 O ATOM 781 CB GLN A 49 47.088 36.530 28.478 1.00 0.00 C ATOM 782 CG GLN A 49 47.950 36.891 27.272 1.00 0.00 C ATOM 783 CD GLN A 49 48.378 35.643 26.499 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.312 34.944 26.885 1.00 0.00 O ATOM 785 NE2 GLN A 49 47.717 35.309 25.393 1.00 0.00 N ATOM 0 H GLN A 49 45.186 36.093 30.079 1.00 0.00 H new ATOM 0 HA GLN A 49 46.115 38.433 28.560 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.679 36.645 29.387 1.00 0.00 H new ATOM 0 HB3 GLN A 49 46.805 35.480 28.413 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.394 37.557 26.612 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.834 37.436 27.604 1.00 0.00 H new ATOM 0 HE21 GLN A 49 46.941 35.886 25.069 1.00 0.00 H new ATOM 0 HE22 GLN A 49 47.986 34.476 24.870 1.00 0.00 H new ATOM 794 N LEU A 50 44.754 38.079 26.509 1.00 0.00 N ATOM 795 CA LEU A 50 43.992 37.940 25.284 1.00 0.00 C ATOM 796 C LEU A 50 44.798 37.186 24.224 1.00 0.00 C ATOM 797 O LEU A 50 46.016 37.329 24.138 1.00 0.00 O ATOM 798 CB LEU A 50 43.555 39.306 24.766 1.00 0.00 C ATOM 799 CG LEU A 50 42.985 40.292 25.783 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.451 41.520 25.051 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.854 39.726 26.636 1.00 0.00 C ATOM 0 H LEU A 50 45.197 38.993 26.607 1.00 0.00 H new ATOM 0 HA LEU A 50 43.097 37.357 25.503 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.414 39.775 24.286 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.804 39.149 23.992 1.00 0.00 H new ATOM 0 HG LEU A 50 43.808 40.535 26.455 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.043 42.226 25.774 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.261 41.995 24.498 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.666 41.218 24.357 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.506 40.489 27.332 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.030 39.420 25.991 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.217 38.864 27.195 1.00 0.00 H new ATOM 813 N GLU A 51 44.118 36.403 23.392 1.00 0.00 N ATOM 814 CA GLU A 51 44.656 35.778 22.199 1.00 0.00 C ATOM 815 C GLU A 51 44.247 36.547 20.941 1.00 0.00 C ATOM 816 O GLU A 51 43.587 37.581 21.024 1.00 0.00 O ATOM 817 CB GLU A 51 44.249 34.309 22.159 1.00 0.00 C ATOM 818 CG GLU A 51 44.827 33.532 23.337 1.00 0.00 C ATOM 819 CD GLU A 51 44.516 32.039 23.210 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.131 31.370 22.353 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.637 31.533 23.941 1.00 0.00 O ATOM 0 H GLU A 51 43.134 36.180 23.542 1.00 0.00 H new ATOM 0 HA GLU A 51 45.745 35.814 22.230 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.162 34.232 22.170 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.590 33.862 21.225 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.906 33.681 23.382 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.413 33.916 24.270 1.00 0.00 H new ATOM 828 N ASP A 52 44.677 36.120 19.757 1.00 0.00 N ATOM 829 CA ASP A 52 44.460 36.829 18.511 1.00 0.00 C ATOM 830 C ASP A 52 43.134 36.483 17.830 1.00 0.00 C ATOM 831 O ASP A 52 42.415 37.381 17.398 1.00 0.00 O ATOM 832 CB ASP A 52 45.647 36.609 17.578 1.00 0.00 C ATOM 833 CG ASP A 52 46.944 37.183 18.152 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.034 38.421 18.296 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.869 36.411 18.488 1.00 0.00 O ATOM 0 H ASP A 52 45.198 35.251 19.640 1.00 0.00 H new ATOM 0 HA ASP A 52 44.385 37.889 18.754 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.772 35.541 17.397 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.441 37.074 16.614 1.00 0.00 H new ATOM 840 N GLY A 53 42.781 35.202 17.770 1.00 0.00 N ATOM 841 CA GLY A 53 41.642 34.682 17.041 1.00 0.00 C ATOM 842 C GLY A 53 40.274 34.863 17.702 1.00 0.00 C ATOM 843 O GLY A 53 39.359 34.100 17.397 1.00 0.00 O ATOM 0 H GLY A 53 43.307 34.472 18.250 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.615 35.161 16.062 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.802 33.617 16.871 1.00 0.00 H new ATOM 847 N ARG A 54 40.112 35.821 18.610 1.00 0.00 N ATOM 848 CA ARG A 54 38.891 36.108 19.336 1.00 0.00 C ATOM 849 C ARG A 54 38.529 37.593 19.258 1.00 0.00 C ATOM 850 O ARG A 54 39.310 38.388 18.740 1.00 0.00 O ATOM 851 CB ARG A 54 39.029 35.636 20.782 1.00 0.00 C ATOM 852 CG ARG A 54 39.003 34.121 20.965 1.00 0.00 C ATOM 853 CD ARG A 54 37.685 33.497 20.516 1.00 0.00 C ATOM 854 NE ARG A 54 37.659 32.064 20.810 1.00 0.00 N ATOM 855 CZ ARG A 54 36.838 31.134 20.299 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.813 31.423 19.487 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.052 29.855 20.634 1.00 0.00 N ATOM 0 H ARG A 54 40.873 36.448 18.869 1.00 0.00 H new ATOM 0 HA ARG A 54 38.070 35.562 18.871 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.965 36.021 21.188 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.223 36.073 21.371 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.822 33.677 20.400 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.174 33.883 22.015 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.854 33.991 21.020 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.549 33.655 19.446 1.00 0.00 H new ATOM 0 HE ARG A 54 38.348 31.732 21.485 1.00 0.00 H new ATOM 0 HH11 ARG A 54 35.625 32.391 19.228 1.00 0.00 H new ATOM 0 HH12 ARG A 54 35.220 30.675 19.127 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.820 29.613 21.260 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.447 29.123 20.263 1.00 0.00 H new ATOM 871 N THR A 55 37.343 37.960 19.737 1.00 0.00 N ATOM 872 CA THR A 55 36.791 39.296 19.640 1.00 0.00 C ATOM 873 C THR A 55 36.792 40.069 20.960 1.00 0.00 C ATOM 874 O THR A 55 36.993 39.487 22.024 1.00 0.00 O ATOM 875 CB THR A 55 35.384 39.277 19.049 1.00 0.00 C ATOM 876 OG1 THR A 55 34.487 38.634 19.926 1.00 0.00 O ATOM 877 CG2 THR A 55 35.303 38.541 17.714 1.00 0.00 C ATOM 0 H THR A 55 36.724 37.308 20.219 1.00 0.00 H new ATOM 0 HA THR A 55 37.462 39.829 18.966 1.00 0.00 H new ATOM 0 HB THR A 55 35.121 40.324 18.897 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.611 37.664 19.867 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.277 38.564 17.348 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.957 39.027 16.990 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.617 37.506 17.849 1.00 0.00 H new ATOM 885 N LEU A 56 36.538 41.374 20.906 1.00 0.00 N ATOM 886 CA LEU A 56 36.404 42.215 22.079 1.00 0.00 C ATOM 887 C LEU A 56 35.366 41.673 23.062 1.00 0.00 C ATOM 888 O LEU A 56 35.631 41.570 24.259 1.00 0.00 O ATOM 889 CB LEU A 56 36.022 43.634 21.669 1.00 0.00 C ATOM 890 CG LEU A 56 37.078 44.571 21.089 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.249 44.813 22.037 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.625 44.137 19.732 1.00 0.00 C ATOM 0 H LEU A 56 36.419 41.880 20.028 1.00 0.00 H new ATOM 0 HA LEU A 56 37.371 42.220 22.582 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.221 43.555 20.935 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.602 44.123 22.548 1.00 0.00 H new ATOM 0 HG LEU A 56 36.531 45.503 20.948 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.965 45.487 21.566 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.883 45.260 22.961 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.737 43.865 22.262 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.369 44.857 19.392 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.087 43.154 19.823 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.810 44.089 19.010 1.00 0.00 H new ATOM 904 N SER A 57 34.191 41.297 22.566 1.00 0.00 N ATOM 905 CA SER A 57 33.098 40.799 23.377 1.00 0.00 C ATOM 906 C SER A 57 33.256 39.350 23.844 1.00 0.00 C ATOM 907 O SER A 57 32.722 39.009 24.896 1.00 0.00 O ATOM 908 CB SER A 57 31.755 41.013 22.684 1.00 0.00 C ATOM 909 OG SER A 57 31.749 40.453 21.390 1.00 0.00 O ATOM 0 H SER A 57 33.973 41.333 21.570 1.00 0.00 H new ATOM 0 HA SER A 57 33.127 41.395 24.289 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.961 40.564 23.280 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.542 42.080 22.621 1.00 0.00 H new ATOM 0 HG SER A 57 32.051 41.123 20.742 1.00 0.00 H new ATOM 915 N ASP A 58 34.038 38.507 23.176 1.00 0.00 N ATOM 916 CA ASP A 58 34.399 37.198 23.682 1.00 0.00 C ATOM 917 C ASP A 58 35.101 37.263 25.040 1.00 0.00 C ATOM 918 O ASP A 58 34.974 36.337 25.839 1.00 0.00 O ATOM 919 CB ASP A 58 35.321 36.459 22.716 1.00 0.00 C ATOM 920 CG ASP A 58 34.618 35.927 21.466 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.547 35.293 21.591 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.167 36.135 20.363 1.00 0.00 O ATOM 0 H ASP A 58 34.439 38.720 22.263 1.00 0.00 H new ATOM 0 HA ASP A 58 33.456 36.663 23.792 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.123 37.131 22.411 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.786 35.625 23.241 1.00 0.00 H new ATOM 927 N TYR A 59 35.801 38.359 25.318 1.00 0.00 N ATOM 928 CA TYR A 59 36.503 38.618 26.559 1.00 0.00 C ATOM 929 C TYR A 59 35.775 39.575 27.506 1.00 0.00 C ATOM 930 O TYR A 59 36.385 40.067 28.452 1.00 0.00 O ATOM 931 CB TYR A 59 37.934 39.043 26.245 1.00 0.00 C ATOM 932 CG TYR A 59 38.792 37.975 25.610 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.119 36.828 26.343 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.330 38.162 24.331 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.993 35.872 25.812 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.231 37.230 23.803 1.00 0.00 C ATOM 937 CZ TYR A 59 40.562 36.075 24.539 1.00 0.00 C ATOM 938 OH TYR A 59 41.443 35.166 24.030 1.00 0.00 O ATOM 0 H TYR A 59 35.895 39.123 24.649 1.00 0.00 H new ATOM 0 HA TYR A 59 36.531 37.688 27.128 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.903 39.906 25.580 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.411 39.369 27.169 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.694 36.680 27.325 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.049 39.028 23.750 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.230 34.982 26.376 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.672 37.396 22.831 1.00 0.00 H new ATOM 0 HH TYR A 59 41.387 35.169 23.052 1.00 0.00 H new ATOM 948 N ASN A 60 34.479 39.814 27.325 1.00 0.00 N ATOM 949 CA ASN A 60 33.637 40.561 28.236 1.00 0.00 C ATOM 950 C ASN A 60 34.061 42.010 28.483 1.00 0.00 C ATOM 951 O ASN A 60 33.778 42.565 29.542 1.00 0.00 O ATOM 952 CB ASN A 60 33.429 39.762 29.520 1.00 0.00 C ATOM 953 CG ASN A 60 32.840 38.368 29.296 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.854 38.181 28.588 1.00 0.00 O ATOM 955 ND2 ASN A 60 33.377 37.335 29.938 1.00 0.00 N ATOM 0 H ASN A 60 33.973 39.477 26.506 1.00 0.00 H new ATOM 0 HA ASN A 60 32.675 40.684 27.739 1.00 0.00 H new ATOM 0 HB2 ASN A 60 34.385 39.663 30.033 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.769 40.322 30.182 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.970 36.405 29.838 1.00 0.00 H new ATOM 0 HD22 ASN A 60 34.196 37.472 30.530 1.00 0.00 H new ATOM 962 N ILE A 61 34.754 42.643 27.540 1.00 0.00 N ATOM 963 CA ILE A 61 35.317 43.970 27.691 1.00 0.00 C ATOM 964 C ILE A 61 34.217 45.034 27.707 1.00 0.00 C ATOM 965 O ILE A 61 33.385 45.076 26.803 1.00 0.00 O ATOM 966 CB ILE A 61 36.372 44.227 26.620 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.506 43.208 26.703 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.939 45.639 26.736 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.501 43.252 25.547 1.00 0.00 C ATOM 0 H ILE A 61 34.941 42.230 26.626 1.00 0.00 H new ATOM 0 HA ILE A 61 35.821 44.033 28.656 1.00 0.00 H new ATOM 0 HB ILE A 61 35.881 44.123 25.652 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.048 43.366 27.635 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.073 42.209 26.752 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.689 45.795 25.960 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.135 46.365 26.615 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.399 45.767 27.716 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.267 42.492 25.697 1.00 0.00 H new ATOM 0 HD12 ILE A 61 37.979 43.060 24.610 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.969 44.236 25.507 1.00 0.00 H new ATOM 981 N GLN A 62 34.226 45.903 28.713 1.00 0.00 N ATOM 982 CA GLN A 62 33.374 47.072 28.800 1.00 0.00 C ATOM 983 C GLN A 62 34.025 48.315 28.190 1.00 0.00 C ATOM 984 O GLN A 62 35.249 48.416 28.150 1.00 0.00 O ATOM 985 CB GLN A 62 32.919 47.311 30.237 1.00 0.00 C ATOM 986 CG GLN A 62 34.015 47.751 31.203 1.00 0.00 C ATOM 987 CD GLN A 62 33.517 48.095 32.608 1.00 0.00 C ATOM 988 OE1 GLN A 62 32.325 48.153 32.901 1.00 0.00 O ATOM 989 NE2 GLN A 62 34.418 48.357 33.551 1.00 0.00 N ATOM 0 H GLN A 62 34.849 45.805 29.514 1.00 0.00 H new ATOM 0 HA GLN A 62 32.486 46.871 28.201 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.136 48.070 30.231 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.470 46.393 30.616 1.00 0.00 H new ATOM 0 HG2 GLN A 62 34.757 46.956 31.278 1.00 0.00 H new ATOM 0 HG3 GLN A 62 34.522 48.622 30.787 1.00 0.00 H new ATOM 0 HE21 GLN A 62 35.413 48.315 33.331 1.00 0.00 H new ATOM 0 HE22 GLN A 62 34.114 48.600 34.494 1.00 0.00 H new ATOM 998 N LYS A 63 33.223 49.298 27.791 1.00 0.00 N ATOM 999 CA LYS A 63 33.696 50.577 27.298 1.00 0.00 C ATOM 1000 C LYS A 63 34.571 51.314 28.315 1.00 0.00 C ATOM 1001 O LYS A 63 34.408 51.145 29.522 1.00 0.00 O ATOM 1002 CB LYS A 63 32.529 51.429 26.813 1.00 0.00 C ATOM 1003 CG LYS A 63 31.589 51.959 27.893 1.00 0.00 C ATOM 1004 CD LYS A 63 30.318 52.503 27.250 1.00 0.00 C ATOM 1005 CE LYS A 63 29.393 53.161 28.270 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.141 53.595 27.629 1.00 0.00 N ATOM 0 H LYS A 63 32.206 49.221 27.804 1.00 0.00 H new ATOM 0 HA LYS A 63 34.344 50.380 26.444 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.931 52.279 26.261 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.943 50.839 26.108 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.340 51.163 28.594 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.083 52.745 28.465 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.584 53.229 26.481 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.788 51.691 26.752 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.172 52.459 29.074 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.892 54.018 28.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.524 54.040 28.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.356 54.281 26.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.657 52.771 27.218 1.00 0.00 H new ATOM 1020 N GLU A 64 35.520 52.108 27.829 1.00 0.00 N ATOM 1021 CA GLU A 64 36.502 52.822 28.619 1.00 0.00 C ATOM 1022 C GLU A 64 37.452 51.943 29.435 1.00 0.00 C ATOM 1023 O GLU A 64 38.154 52.444 30.310 1.00 0.00 O ATOM 1024 CB GLU A 64 35.870 53.935 29.451 1.00 0.00 C ATOM 1025 CG GLU A 64 35.001 54.918 28.671 1.00 0.00 C ATOM 1026 CD GLU A 64 34.517 56.049 29.581 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.046 57.176 29.472 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.617 55.823 30.419 1.00 0.00 O ATOM 0 H GLU A 64 35.625 52.275 26.828 1.00 0.00 H new ATOM 0 HA GLU A 64 37.154 53.290 27.881 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.263 53.481 30.234 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.665 54.492 29.947 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.569 55.332 27.838 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.145 54.396 28.244 1.00 0.00 H new ATOM 1035 N SER A 65 37.530 50.645 29.155 1.00 0.00 N ATOM 1036 CA SER A 65 38.551 49.767 29.691 1.00 0.00 C ATOM 1037 C SER A 65 39.932 50.065 29.104 1.00 0.00 C ATOM 1038 O SER A 65 40.044 50.403 27.928 1.00 0.00 O ATOM 1039 CB SER A 65 38.237 48.302 29.406 1.00 0.00 C ATOM 1040 OG SER A 65 37.052 47.905 30.060 1.00 0.00 O ATOM 0 H SER A 65 36.871 50.171 28.538 1.00 0.00 H new ATOM 0 HA SER A 65 38.560 49.950 30.766 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.132 48.151 28.332 1.00 0.00 H new ATOM 0 HB3 SER A 65 39.067 47.677 29.737 1.00 0.00 H new ATOM 0 HG SER A 65 36.331 47.812 29.403 1.00 0.00 H new ATOM 1046 N THR A 66 40.981 49.866 29.898 1.00 0.00 N ATOM 1047 CA THR A 66 42.363 49.971 29.475 1.00 0.00 C ATOM 1048 C THR A 66 43.005 48.586 29.377 1.00 0.00 C ATOM 1049 O THR A 66 42.993 47.830 30.345 1.00 0.00 O ATOM 1050 CB THR A 66 43.150 50.887 30.408 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.526 52.150 30.471 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.580 51.130 29.933 1.00 0.00 C ATOM 0 H THR A 66 40.883 49.620 30.883 1.00 0.00 H new ATOM 0 HA THR A 66 42.385 50.418 28.481 1.00 0.00 H new ATOM 0 HB THR A 66 43.173 50.386 31.376 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.033 52.736 31.072 1.00 0.00 H new ATOM 0 HG21 THR A 66 45.090 51.788 30.636 1.00 0.00 H new ATOM 0 HG22 THR A 66 45.111 50.180 29.875 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.562 51.596 28.948 1.00 0.00 H new ATOM 1060 N LEU A 67 43.598 48.269 28.229 1.00 0.00 N ATOM 1061 CA LEU A 67 44.389 47.077 27.995 1.00 0.00 C ATOM 1062 C LEU A 67 45.870 47.373 28.238 1.00 0.00 C ATOM 1063 O LEU A 67 46.314 48.493 27.991 1.00 0.00 O ATOM 1064 CB LEU A 67 44.159 46.563 26.578 1.00 0.00 C ATOM 1065 CG LEU A 67 42.716 46.477 26.087 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.685 45.918 24.668 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.828 45.582 26.948 1.00 0.00 C ATOM 0 H LEU A 67 43.534 48.866 27.404 1.00 0.00 H new ATOM 0 HA LEU A 67 44.078 46.299 28.693 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.710 47.207 25.893 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.599 45.569 26.505 1.00 0.00 H new ATOM 0 HG LEU A 67 42.327 47.494 26.138 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.653 45.859 24.323 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.252 46.573 24.006 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.128 44.922 24.659 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.818 45.570 26.538 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.230 44.569 26.954 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.802 45.968 27.967 1.00 0.00 H new ATOM 1079 N HIS A 68 46.660 46.393 28.669 1.00 0.00 N ATOM 1080 CA HIS A 68 48.083 46.538 28.897 1.00 0.00 C ATOM 1081 C HIS A 68 48.923 45.655 27.972 1.00 0.00 C ATOM 1082 O HIS A 68 48.485 44.575 27.584 1.00 0.00 O ATOM 1083 CB HIS A 68 48.409 46.210 30.352 1.00 0.00 C ATOM 1084 CG HIS A 68 48.008 47.287 31.322 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.860 48.287 31.790 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.800 47.387 31.960 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.155 48.966 32.698 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.920 48.455 32.828 1.00 0.00 N ATOM 0 H HIS A 68 46.313 45.456 28.872 1.00 0.00 H new ATOM 0 HA HIS A 68 48.338 47.574 28.675 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.908 45.282 30.626 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.481 46.032 30.443 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.933 46.760 31.814 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.528 49.813 33.254 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.195 48.797 33.459 1.00 0.00 H new ATOM 1096 N LEU A 69 50.156 46.076 27.703 1.00 0.00 N ATOM 1097 CA LEU A 69 51.236 45.240 27.220 1.00 0.00 C ATOM 1098 C LEU A 69 52.239 45.000 28.350 1.00 0.00 C ATOM 1099 O LEU A 69 52.524 45.930 29.102 1.00 0.00 O ATOM 1100 CB LEU A 69 51.910 45.899 26.020 1.00 0.00 C ATOM 1101 CG LEU A 69 51.011 46.231 24.832 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.848 46.779 23.679 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.248 45.010 24.326 1.00 0.00 C ATOM 0 H LEU A 69 50.435 47.050 27.823 1.00 0.00 H new ATOM 0 HA LEU A 69 50.839 44.278 26.897 1.00 0.00 H new ATOM 0 HB2 LEU A 69 52.383 46.821 26.358 1.00 0.00 H new ATOM 0 HB3 LEU A 69 52.706 45.241 25.672 1.00 0.00 H new ATOM 0 HG LEU A 69 50.293 46.973 25.180 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.198 47.013 22.836 1.00 0.00 H new ATOM 0 HD12 LEU A 69 52.363 47.684 24.001 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.582 46.032 23.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 49.622 45.297 23.481 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.956 44.244 24.010 1.00 0.00 H new ATOM 0 HD23 LEU A 69 49.620 44.616 25.125 1.00 0.00 H new ATOM 1115 N VAL A 70 52.786 43.795 28.479 1.00 0.00 N ATOM 1116 CA VAL A 70 53.675 43.410 29.557 1.00 0.00 C ATOM 1117 C VAL A 70 54.940 42.711 29.057 1.00 0.00 C ATOM 1118 O VAL A 70 54.912 41.948 28.094 1.00 0.00 O ATOM 1119 CB VAL A 70 52.989 42.565 30.627 1.00 0.00 C ATOM 1120 CG1 VAL A 70 51.817 43.304 31.264 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.521 41.202 30.125 1.00 0.00 C ATOM 0 H VAL A 70 52.614 43.041 27.814 1.00 0.00 H new ATOM 0 HA VAL A 70 53.972 44.349 30.023 1.00 0.00 H new ATOM 0 HB VAL A 70 53.758 42.387 31.379 1.00 0.00 H new ATOM 0 HG11 VAL A 70 51.355 42.670 32.020 1.00 0.00 H new ATOM 0 HG12 VAL A 70 52.176 44.222 31.730 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.082 43.549 30.498 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.043 40.658 30.940 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.807 41.339 29.313 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.378 40.634 29.763 1.00 0.00 H new