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 66 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.87 K(o=1.9,f=-1.8) USER MOD Set 2.2: A 62 GLN : amide:sc= 1.01 K(o=1.9,f=-0.5) USER MOD Set 3.1: A 55 THR OG1 : rot -59:sc= 2.3 USER MOD Set 3.2: A 57 SER OG : rot -36:sc= 1.22 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.32 (180deg=2.26) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=0.54) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 1.29 (180deg=0.839) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -76:sc= 0.208 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0663 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.207 USER MOD Single : A 25 ASN : amide:sc= -0.0103 K(o=-0.01,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 0.963 (180deg=0.642) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.956) USER MOD Single : A 31 GLN : amide:sc= -0.135 K(o=-0.13,f=-0.92) USER MOD Single : A 33 LYS NZ :NH3+ -176:sc= 0.738 (180deg=0.731) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 41 GLN : amide:sc= 1.22 K(o=1.2,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ -179:sc= 0.659 (180deg=0.659) USER MOD Single : A 49 GLN : amide:sc= 0.528 K(o=0.53,f=-4.3!) USER MOD Single : A 59 TYR OH : rot -60:sc= 0.288 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 67:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.926 51.938 19.934 1.00 0.00 N ATOM 2 CA MET A 1 33.300 52.335 21.301 1.00 0.00 C ATOM 3 C MET A 1 34.823 52.346 21.444 1.00 0.00 C ATOM 4 O MET A 1 35.502 51.717 20.636 1.00 0.00 O ATOM 5 CB MET A 1 32.604 51.470 22.348 1.00 0.00 C ATOM 6 CG MET A 1 32.940 49.982 22.341 1.00 0.00 C ATOM 7 SD MET A 1 34.492 49.516 23.148 1.00 0.00 S ATOM 8 CE MET A 1 34.428 47.722 22.917 1.00 0.00 C ATOM 0 H1 MET A 1 31.891 51.867 19.864 1.00 0.00 H new ATOM 0 H2 MET A 1 33.271 52.650 19.259 1.00 0.00 H new ATOM 0 H3 MET A 1 33.352 51.016 19.712 1.00 0.00 H new ATOM 0 HA MET A 1 32.950 53.351 21.484 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.845 51.869 23.333 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.527 51.576 22.216 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.126 49.443 22.825 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.975 49.642 21.306 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.315 47.267 23.358 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.537 47.324 23.402 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.394 47.493 21.852 1.00 0.00 H new ATOM 20 N GLN A 2 35.369 53.049 22.433 1.00 0.00 N ATOM 21 CA GLN A 2 36.797 53.120 22.669 1.00 0.00 C ATOM 22 C GLN A 2 37.272 52.199 23.794 1.00 0.00 C ATOM 23 O GLN A 2 36.566 52.050 24.789 1.00 0.00 O ATOM 24 CB GLN A 2 37.248 54.561 22.885 1.00 0.00 C ATOM 25 CG GLN A 2 36.707 55.229 24.146 1.00 0.00 C ATOM 26 CD GLN A 2 37.065 56.715 24.216 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.765 57.178 25.112 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.589 57.533 23.280 1.00 0.00 N ATOM 0 H GLN A 2 34.819 53.591 23.099 1.00 0.00 H new ATOM 0 HA GLN A 2 37.277 52.748 21.764 1.00 0.00 H new ATOM 0 HB2 GLN A 2 38.337 54.583 22.920 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.945 55.153 22.021 1.00 0.00 H new ATOM 0 HG2 GLN A 2 35.623 55.117 24.177 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.106 54.720 25.024 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.006 57.164 22.529 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.807 58.529 23.314 1.00 0.00 H new ATOM 37 N ILE A 3 38.487 51.663 23.703 1.00 0.00 N ATOM 38 CA ILE A 3 39.246 51.151 24.825 1.00 0.00 C ATOM 39 C ILE A 3 40.664 51.724 24.856 1.00 0.00 C ATOM 40 O ILE A 3 41.135 52.289 23.871 1.00 0.00 O ATOM 41 CB ILE A 3 39.245 49.629 24.946 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.140 48.860 23.980 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.829 49.060 25.003 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.626 48.676 22.555 1.00 0.00 C ATOM 0 H ILE A 3 38.980 51.574 22.815 1.00 0.00 H new ATOM 0 HA ILE A 3 38.718 51.504 25.711 1.00 0.00 H new ATOM 0 HB ILE A 3 39.729 49.458 25.908 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.102 49.371 23.930 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.325 47.873 24.403 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.876 47.974 25.089 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.307 49.470 25.867 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.292 49.329 24.093 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.357 48.114 21.974 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.682 48.131 22.576 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.471 49.652 22.095 1.00 0.00 H new ATOM 56 N PHE A 4 41.347 51.561 25.987 1.00 0.00 N ATOM 57 CA PHE A 4 42.666 52.106 26.238 1.00 0.00 C ATOM 58 C PHE A 4 43.724 51.018 26.428 1.00 0.00 C ATOM 59 O PHE A 4 43.516 50.096 27.214 1.00 0.00 O ATOM 60 CB PHE A 4 42.608 52.967 27.497 1.00 0.00 C ATOM 61 CG PHE A 4 41.614 54.102 27.469 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.761 55.140 26.541 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.563 54.137 28.394 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.860 56.211 26.540 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.668 55.214 28.400 1.00 0.00 C ATOM 66 CZ PHE A 4 39.816 56.252 27.472 1.00 0.00 C ATOM 0 H PHE A 4 40.980 51.028 26.775 1.00 0.00 H new ATOM 0 HA PHE A 4 42.954 52.694 25.367 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.373 52.323 28.345 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.600 53.382 27.677 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.570 55.114 25.826 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.443 53.332 29.104 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.970 57.007 25.819 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.864 55.244 29.120 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.126 57.083 27.475 1.00 0.00 H new ATOM 76 N VAL A 5 44.895 51.166 25.814 1.00 0.00 N ATOM 77 CA VAL A 5 46.093 50.419 26.139 1.00 0.00 C ATOM 78 C VAL A 5 47.094 51.347 26.831 1.00 0.00 C ATOM 79 O VAL A 5 47.410 52.403 26.289 1.00 0.00 O ATOM 80 CB VAL A 5 46.703 49.762 24.905 1.00 0.00 C ATOM 81 CG1 VAL A 5 48.019 49.054 25.211 1.00 0.00 C ATOM 82 CG2 VAL A 5 45.755 48.719 24.320 1.00 0.00 C ATOM 0 H VAL A 5 45.034 51.832 25.054 1.00 0.00 H new ATOM 0 HA VAL A 5 45.827 49.610 26.819 1.00 0.00 H new ATOM 0 HB VAL A 5 46.882 50.572 24.198 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.411 48.604 24.299 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.739 49.775 25.597 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.849 48.276 25.956 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.212 48.264 23.441 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.557 47.949 25.065 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.818 49.198 24.035 1.00 0.00 H new ATOM 92 N LYS A 6 47.593 50.958 28.002 1.00 0.00 N ATOM 93 CA LYS A 6 48.481 51.761 28.819 1.00 0.00 C ATOM 94 C LYS A 6 49.892 51.172 28.887 1.00 0.00 C ATOM 95 O LYS A 6 50.055 49.997 29.205 1.00 0.00 O ATOM 96 CB LYS A 6 47.880 51.987 30.204 1.00 0.00 C ATOM 97 CG LYS A 6 46.528 52.689 30.135 1.00 0.00 C ATOM 98 CD LYS A 6 46.016 53.180 31.487 1.00 0.00 C ATOM 99 CE LYS A 6 46.801 54.391 31.982 1.00 0.00 C ATOM 100 NZ LYS A 6 46.325 54.845 33.297 1.00 0.00 N ATOM 0 H LYS A 6 47.381 50.049 28.414 1.00 0.00 H new ATOM 0 HA LYS A 6 48.585 52.735 28.341 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.765 51.028 30.710 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.567 52.583 30.804 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.605 53.539 29.456 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.796 52.004 29.707 1.00 0.00 H new ATOM 0 HD2 LYS A 6 44.961 53.440 31.404 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.090 52.375 32.218 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.859 54.138 32.045 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.710 55.204 31.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.881 55.669 33.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.321 55.110 33.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.435 54.077 33.990 1.00 0.00 H new ATOM 168 N LYS A 11 52.315 56.228 28.467 1.00 0.00 N ATOM 169 CA LYS A 11 51.457 56.594 27.358 1.00 0.00 C ATOM 170 C LYS A 11 50.112 55.872 27.451 1.00 0.00 C ATOM 171 O LYS A 11 50.047 54.775 28.002 1.00 0.00 O ATOM 172 CB LYS A 11 52.205 56.278 26.066 1.00 0.00 C ATOM 173 CG LYS A 11 51.649 57.003 24.842 1.00 0.00 C ATOM 174 CD LYS A 11 52.535 56.760 23.624 1.00 0.00 C ATOM 175 CE LYS A 11 51.992 57.545 22.434 1.00 0.00 C ATOM 176 NZ LYS A 11 52.856 57.415 21.251 1.00 0.00 N ATOM 0 HA LYS A 11 51.225 57.659 27.382 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.255 56.545 26.190 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.168 55.203 25.889 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.636 56.656 24.636 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.585 58.072 25.044 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.559 57.067 23.839 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.564 55.696 23.389 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.990 57.191 22.192 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.902 58.597 22.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.763 58.264 20.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.845 57.310 21.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.571 56.578 20.703 1.00 0.00 H new ATOM 190 N THR A 12 49.058 56.448 26.877 1.00 0.00 N ATOM 191 CA THR A 12 47.803 55.773 26.614 1.00 0.00 C ATOM 192 C THR A 12 47.477 55.829 25.120 1.00 0.00 C ATOM 193 O THR A 12 47.388 56.909 24.543 1.00 0.00 O ATOM 194 CB THR A 12 46.653 56.337 27.444 1.00 0.00 C ATOM 195 OG1 THR A 12 46.928 56.178 28.817 1.00 0.00 O ATOM 196 CG2 THR A 12 45.350 55.595 27.169 1.00 0.00 C ATOM 0 H THR A 12 49.060 57.423 26.577 1.00 0.00 H new ATOM 0 HA THR A 12 47.923 54.732 26.914 1.00 0.00 H new ATOM 0 HB THR A 12 46.551 57.388 27.173 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.187 56.544 29.344 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.553 56.023 27.777 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.093 55.690 26.114 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.472 54.541 27.419 1.00 0.00 H new ATOM 204 N ILE A 13 47.285 54.666 24.504 1.00 0.00 N ATOM 205 CA ILE A 13 46.803 54.517 23.146 1.00 0.00 C ATOM 206 C ILE A 13 45.294 54.272 23.203 1.00 0.00 C ATOM 207 O ILE A 13 44.852 53.345 23.880 1.00 0.00 O ATOM 208 CB ILE A 13 47.509 53.377 22.416 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.021 53.316 22.606 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.165 53.427 20.930 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.803 54.557 22.185 1.00 0.00 C ATOM 0 H ILE A 13 47.469 53.772 24.959 1.00 0.00 H new ATOM 0 HA ILE A 13 47.019 55.426 22.585 1.00 0.00 H new ATOM 0 HB ILE A 13 47.134 52.462 22.875 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.227 53.122 23.659 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.403 52.463 22.044 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.671 52.612 20.412 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.087 53.325 20.802 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.491 54.380 20.513 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.866 54.396 22.367 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.641 54.747 21.124 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.462 55.416 22.763 1.00 0.00 H new ATOM 223 N THR A 14 44.510 55.079 22.495 1.00 0.00 N ATOM 224 CA THR A 14 43.067 54.962 22.423 1.00 0.00 C ATOM 225 C THR A 14 42.671 54.283 21.111 1.00 0.00 C ATOM 226 O THR A 14 43.183 54.626 20.048 1.00 0.00 O ATOM 227 CB THR A 14 42.387 56.322 22.569 1.00 0.00 C ATOM 228 OG1 THR A 14 42.857 56.962 23.734 1.00 0.00 O ATOM 229 CG2 THR A 14 40.873 56.208 22.722 1.00 0.00 C ATOM 0 H THR A 14 44.877 55.853 21.941 1.00 0.00 H new ATOM 0 HA THR A 14 42.727 54.346 23.255 1.00 0.00 H new ATOM 0 HB THR A 14 42.620 56.880 21.662 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.442 56.553 24.522 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.441 57.204 22.822 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.454 55.718 21.843 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.640 55.621 23.610 1.00 0.00 H new ATOM 237 N LEU A 15 41.779 53.299 21.200 1.00 0.00 N ATOM 238 CA LEU A 15 41.425 52.408 20.113 1.00 0.00 C ATOM 239 C LEU A 15 39.904 52.361 19.955 1.00 0.00 C ATOM 240 O LEU A 15 39.216 51.894 20.861 1.00 0.00 O ATOM 241 CB LEU A 15 41.994 51.024 20.416 1.00 0.00 C ATOM 242 CG LEU A 15 43.496 50.981 20.683 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.883 49.592 21.180 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.318 51.301 19.438 1.00 0.00 C ATOM 0 H LEU A 15 41.270 53.099 22.061 1.00 0.00 H new ATOM 0 HA LEU A 15 41.845 52.767 19.173 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.475 50.618 21.285 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.772 50.366 19.576 1.00 0.00 H new ATOM 0 HG LEU A 15 43.712 51.741 21.434 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.956 49.560 21.371 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.343 49.372 22.101 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.627 48.850 20.423 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.380 51.257 19.682 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.094 50.574 18.658 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.068 52.301 19.084 1.00 0.00 H new ATOM 256 N GLU A 16 39.382 52.817 18.820 1.00 0.00 N ATOM 257 CA GLU A 16 37.971 52.821 18.491 1.00 0.00 C ATOM 258 C GLU A 16 37.613 51.582 17.669 1.00 0.00 C ATOM 259 O GLU A 16 38.239 51.308 16.647 1.00 0.00 O ATOM 260 CB GLU A 16 37.626 54.152 17.829 1.00 0.00 C ATOM 261 CG GLU A 16 36.247 54.258 17.184 1.00 0.00 C ATOM 262 CD GLU A 16 35.079 54.104 18.161 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.992 54.832 19.174 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.178 53.288 17.868 1.00 0.00 O ATOM 0 H GLU A 16 39.960 53.209 18.077 1.00 0.00 H new ATOM 0 HA GLU A 16 37.353 52.750 19.386 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.712 54.938 18.579 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.376 54.357 17.065 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.165 55.225 16.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.161 53.495 16.411 1.00 0.00 H new ATOM 271 N VAL A 17 36.639 50.808 18.142 1.00 0.00 N ATOM 272 CA VAL A 17 36.328 49.453 17.737 1.00 0.00 C ATOM 273 C VAL A 17 34.843 49.134 17.929 1.00 0.00 C ATOM 274 O VAL A 17 34.147 49.806 18.686 1.00 0.00 O ATOM 275 CB VAL A 17 37.132 48.441 18.549 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.594 48.380 18.119 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.079 48.704 20.052 1.00 0.00 C ATOM 0 H VAL A 17 36.006 51.141 18.869 1.00 0.00 H new ATOM 0 HA VAL A 17 36.586 49.380 16.680 1.00 0.00 H new ATOM 0 HB VAL A 17 36.654 47.483 18.344 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.122 47.645 18.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.653 48.092 17.069 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.054 49.359 18.253 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.670 47.951 20.574 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.484 49.694 20.263 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.045 48.655 20.394 1.00 0.00 H new ATOM 287 N GLU A 18 34.365 48.057 17.313 1.00 0.00 N ATOM 288 CA GLU A 18 33.118 47.407 17.665 1.00 0.00 C ATOM 289 C GLU A 18 33.388 46.108 18.427 1.00 0.00 C ATOM 290 O GLU A 18 34.407 45.469 18.173 1.00 0.00 O ATOM 291 CB GLU A 18 32.285 47.155 16.411 1.00 0.00 C ATOM 292 CG GLU A 18 31.881 48.421 15.661 1.00 0.00 C ATOM 293 CD GLU A 18 31.170 49.460 16.530 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.309 49.105 17.364 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.450 50.667 16.367 1.00 0.00 O ATOM 0 H GLU A 18 34.850 47.605 16.537 1.00 0.00 H new ATOM 0 HA GLU A 18 32.548 48.064 18.322 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.850 46.512 15.737 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.384 46.609 16.691 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.773 48.874 15.228 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.228 48.147 14.833 1.00 0.00 H new ATOM 302 N PRO A 19 32.525 45.650 19.330 1.00 0.00 N ATOM 303 CA PRO A 19 32.789 44.489 20.156 1.00 0.00 C ATOM 304 C PRO A 19 32.961 43.178 19.388 1.00 0.00 C ATOM 305 O PRO A 19 33.564 42.231 19.890 1.00 0.00 O ATOM 306 CB PRO A 19 31.623 44.411 21.139 1.00 0.00 C ATOM 307 CG PRO A 19 30.491 45.139 20.421 1.00 0.00 C ATOM 308 CD PRO A 19 31.246 46.236 19.675 1.00 0.00 C ATOM 0 HA PRO A 19 33.752 44.613 20.651 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.356 43.378 21.362 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.867 44.889 22.088 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.949 44.482 19.741 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.761 45.548 21.119 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.704 46.551 18.783 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.374 47.120 20.299 1.00 0.00 H new ATOM 316 N SER A 20 32.454 43.109 18.160 1.00 0.00 N ATOM 317 CA SER A 20 32.618 42.009 17.231 1.00 0.00 C ATOM 318 C SER A 20 33.939 42.023 16.459 1.00 0.00 C ATOM 319 O SER A 20 34.214 41.079 15.722 1.00 0.00 O ATOM 320 CB SER A 20 31.405 41.984 16.305 1.00 0.00 C ATOM 321 OG SER A 20 31.061 43.277 15.859 1.00 0.00 O ATOM 0 H SER A 20 31.888 43.863 17.771 1.00 0.00 H new ATOM 0 HA SER A 20 32.673 41.086 17.808 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.616 41.347 15.446 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.557 41.542 16.828 1.00 0.00 H new ATOM 0 HG SER A 20 30.282 43.222 15.267 1.00 0.00 H new ATOM 327 N ASP A 21 34.777 43.045 16.609 1.00 0.00 N ATOM 328 CA ASP A 21 36.107 43.106 16.035 1.00 0.00 C ATOM 329 C ASP A 21 37.063 42.128 16.719 1.00 0.00 C ATOM 330 O ASP A 21 36.967 41.857 17.915 1.00 0.00 O ATOM 331 CB ASP A 21 36.656 44.529 16.063 1.00 0.00 C ATOM 332 CG ASP A 21 35.912 45.542 15.189 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.182 45.144 14.256 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.093 46.762 15.385 1.00 0.00 O ATOM 0 H ASP A 21 34.537 43.875 17.150 1.00 0.00 H new ATOM 0 HA ASP A 21 36.025 42.802 14.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.641 44.885 17.093 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.700 44.503 15.750 1.00 0.00 H new ATOM 339 N THR A 22 38.013 41.586 15.963 1.00 0.00 N ATOM 340 CA THR A 22 39.004 40.659 16.471 1.00 0.00 C ATOM 341 C THR A 22 40.049 41.333 17.364 1.00 0.00 C ATOM 342 O THR A 22 40.363 42.512 17.216 1.00 0.00 O ATOM 343 CB THR A 22 39.714 39.883 15.366 1.00 0.00 C ATOM 344 OG1 THR A 22 40.347 40.763 14.465 1.00 0.00 O ATOM 345 CG2 THR A 22 38.782 38.992 14.551 1.00 0.00 C ATOM 0 H THR A 22 38.113 41.785 14.968 1.00 0.00 H new ATOM 0 HA THR A 22 38.433 39.955 17.076 1.00 0.00 H new ATOM 0 HB THR A 22 40.436 39.251 15.883 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.660 40.262 13.683 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.355 38.471 13.784 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.309 38.263 15.208 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.015 39.605 14.077 1.00 0.00 H new ATOM 353 N ILE A 23 40.700 40.565 18.233 1.00 0.00 N ATOM 354 CA ILE A 23 41.881 41.012 18.942 1.00 0.00 C ATOM 355 C ILE A 23 43.032 41.278 17.970 1.00 0.00 C ATOM 356 O ILE A 23 43.856 42.159 18.210 1.00 0.00 O ATOM 357 CB ILE A 23 42.210 40.032 20.064 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.109 39.910 21.114 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.547 40.334 20.734 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.655 41.204 21.783 1.00 0.00 C ATOM 0 H ILE A 23 40.417 39.612 18.462 1.00 0.00 H new ATOM 0 HA ILE A 23 41.693 41.972 19.423 1.00 0.00 H new ATOM 0 HB ILE A 23 42.287 39.065 19.566 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.241 39.447 20.645 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.454 39.228 21.891 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.731 39.606 21.524 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.346 40.276 19.995 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.521 41.336 21.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.871 40.983 22.507 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.500 41.666 22.293 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.269 41.888 21.027 1.00 0.00 H new ATOM 372 N GLU A 24 43.072 40.635 16.806 1.00 0.00 N ATOM 373 CA GLU A 24 43.965 41.001 15.726 1.00 0.00 C ATOM 374 C GLU A 24 43.671 42.386 15.145 1.00 0.00 C ATOM 375 O GLU A 24 44.589 43.092 14.734 1.00 0.00 O ATOM 376 CB GLU A 24 43.838 39.949 14.628 1.00 0.00 C ATOM 377 CG GLU A 24 45.008 39.920 13.648 1.00 0.00 C ATOM 378 CD GLU A 24 44.539 39.258 12.351 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.206 40.008 11.408 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.423 38.014 12.299 1.00 0.00 O ATOM 0 H GLU A 24 42.475 39.836 16.590 1.00 0.00 H new ATOM 0 HA GLU A 24 44.978 41.043 16.127 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.743 38.967 15.091 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.918 40.130 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.362 40.932 13.450 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.845 39.367 14.074 1.00 0.00 H new ATOM 387 N ASN A 25 42.413 42.817 15.122 1.00 0.00 N ATOM 388 CA ASN A 25 42.022 44.155 14.728 1.00 0.00 C ATOM 389 C ASN A 25 42.447 45.182 15.778 1.00 0.00 C ATOM 390 O ASN A 25 42.985 46.230 15.427 1.00 0.00 O ATOM 391 CB ASN A 25 40.525 44.140 14.428 1.00 0.00 C ATOM 392 CG ASN A 25 39.981 45.390 13.730 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.592 46.455 13.665 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.777 45.288 13.176 1.00 0.00 N ATOM 0 H ASN A 25 41.623 42.227 15.384 1.00 0.00 H new ATOM 0 HA ASN A 25 42.537 44.467 13.820 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.305 43.273 13.805 1.00 0.00 H new ATOM 0 HB3 ASN A 25 39.985 44.004 15.365 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.365 46.091 12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.265 44.407 13.227 1.00 0.00 H new ATOM 401 N VAL A 26 42.357 44.844 17.061 1.00 0.00 N ATOM 402 CA VAL A 26 42.923 45.630 18.138 1.00 0.00 C ATOM 403 C VAL A 26 44.433 45.804 17.967 1.00 0.00 C ATOM 404 O VAL A 26 44.907 46.937 17.976 1.00 0.00 O ATOM 405 CB VAL A 26 42.588 45.046 19.508 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.130 45.888 20.660 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.083 44.933 19.736 1.00 0.00 C ATOM 0 H VAL A 26 41.880 44.001 17.380 1.00 0.00 H new ATOM 0 HA VAL A 26 42.464 46.617 18.087 1.00 0.00 H new ATOM 0 HB VAL A 26 43.058 44.063 19.500 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.861 45.423 21.608 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.215 45.954 20.583 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.702 46.889 20.612 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.895 44.512 20.724 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.630 45.922 19.671 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.648 44.284 18.977 1.00 0.00 H new ATOM 417 N LYS A 27 45.191 44.738 17.725 1.00 0.00 N ATOM 418 CA LYS A 27 46.608 44.821 17.437 1.00 0.00 C ATOM 419 C LYS A 27 46.910 45.687 16.212 1.00 0.00 C ATOM 420 O LYS A 27 47.835 46.493 16.252 1.00 0.00 O ATOM 421 CB LYS A 27 47.214 43.435 17.234 1.00 0.00 C ATOM 422 CG LYS A 27 47.310 42.572 18.488 1.00 0.00 C ATOM 423 CD LYS A 27 48.076 41.296 18.147 1.00 0.00 C ATOM 424 CE LYS A 27 48.224 40.312 19.303 1.00 0.00 C ATOM 425 NZ LYS A 27 49.266 39.317 19.004 1.00 0.00 N ATOM 0 H LYS A 27 44.828 43.785 17.725 1.00 0.00 H new ATOM 0 HA LYS A 27 47.063 45.294 18.307 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.619 42.902 16.492 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.214 43.552 16.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.818 43.117 19.283 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.313 42.328 18.856 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.569 40.794 17.323 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.069 41.569 17.791 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.479 40.850 20.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.274 39.809 19.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.791 39.092 19.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.824 38.452 18.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.921 39.703 18.294 1.00 0.00 H new ATOM 439 N ALA A 28 46.134 45.559 15.139 1.00 0.00 N ATOM 440 CA ALA A 28 46.305 46.323 13.920 1.00 0.00 C ATOM 441 C ALA A 28 46.053 47.820 14.114 1.00 0.00 C ATOM 442 O ALA A 28 46.854 48.637 13.665 1.00 0.00 O ATOM 443 CB ALA A 28 45.399 45.718 12.852 1.00 0.00 C ATOM 0 H ALA A 28 45.353 44.905 15.098 1.00 0.00 H new ATOM 0 HA ALA A 28 47.346 46.259 13.602 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.509 46.276 11.922 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.677 44.677 12.685 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.362 45.767 13.184 1.00 0.00 H new ATOM 449 N LYS A 29 45.025 48.196 14.870 1.00 0.00 N ATOM 450 CA LYS A 29 44.728 49.569 15.223 1.00 0.00 C ATOM 451 C LYS A 29 45.789 50.206 16.125 1.00 0.00 C ATOM 452 O LYS A 29 45.947 51.424 16.090 1.00 0.00 O ATOM 453 CB LYS A 29 43.347 49.645 15.867 1.00 0.00 C ATOM 454 CG LYS A 29 42.228 49.514 14.836 1.00 0.00 C ATOM 455 CD LYS A 29 40.866 49.422 15.519 1.00 0.00 C ATOM 456 CE LYS A 29 39.716 49.483 14.519 1.00 0.00 C ATOM 457 NZ LYS A 29 39.362 50.860 14.142 1.00 0.00 N ATOM 0 H LYS A 29 44.360 47.529 15.262 1.00 0.00 H new ATOM 0 HA LYS A 29 44.737 50.149 14.300 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.250 48.854 16.611 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.245 50.593 16.395 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.245 50.372 14.164 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.393 48.627 14.225 1.00 0.00 H new ATOM 0 HD2 LYS A 29 40.806 48.491 16.083 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.765 50.236 16.236 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.989 48.925 13.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 38.842 48.992 14.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.725 50.842 13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.885 51.327 14.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.225 51.386 13.899 1.00 0.00 H new ATOM 471 N ILE A 30 46.535 49.414 16.889 1.00 0.00 N ATOM 472 CA ILE A 30 47.727 49.856 17.586 1.00 0.00 C ATOM 473 C ILE A 30 48.891 50.021 16.607 1.00 0.00 C ATOM 474 O ILE A 30 49.544 51.062 16.625 1.00 0.00 O ATOM 475 CB ILE A 30 48.081 48.920 18.738 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.976 48.873 19.790 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.389 49.336 19.401 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.013 47.631 20.677 1.00 0.00 C ATOM 0 H ILE A 30 46.319 48.429 17.041 1.00 0.00 H new ATOM 0 HA ILE A 30 47.522 50.832 18.026 1.00 0.00 H new ATOM 0 HB ILE A 30 48.195 47.925 18.308 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.051 49.759 20.420 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.009 48.920 19.289 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.616 48.652 20.218 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.195 49.306 18.667 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.293 50.349 19.792 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.196 47.674 21.397 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.906 46.739 20.059 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.964 47.592 21.209 1.00 0.00 H new ATOM 490 N GLN A 31 49.140 49.056 15.726 1.00 0.00 N ATOM 491 CA GLN A 31 50.211 49.099 14.752 1.00 0.00 C ATOM 492 C GLN A 31 50.144 50.341 13.862 1.00 0.00 C ATOM 493 O GLN A 31 51.164 50.993 13.645 1.00 0.00 O ATOM 494 CB GLN A 31 50.194 47.815 13.927 1.00 0.00 C ATOM 495 CG GLN A 31 51.407 47.638 13.016 1.00 0.00 C ATOM 496 CD GLN A 31 51.329 46.363 12.175 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.282 45.734 12.035 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.430 45.907 11.583 1.00 0.00 N ATOM 0 H GLN A 31 48.584 48.203 15.674 1.00 0.00 H new ATOM 0 HA GLN A 31 51.157 49.169 15.288 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.135 46.963 14.604 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.291 47.801 13.317 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.489 48.501 12.355 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.312 47.614 13.623 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.310 46.412 11.685 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.394 45.052 11.027 1.00 0.00 H new ATOM 507 N ASP A 32 48.944 50.739 13.448 1.00 0.00 N ATOM 508 CA ASP A 32 48.664 51.941 12.689 1.00 0.00 C ATOM 509 C ASP A 32 49.095 53.245 13.364 1.00 0.00 C ATOM 510 O ASP A 32 49.321 54.235 12.673 1.00 0.00 O ATOM 511 CB ASP A 32 47.168 51.935 12.391 1.00 0.00 C ATOM 512 CG ASP A 32 46.690 53.047 11.456 1.00 0.00 C ATOM 513 OD1 ASP A 32 45.643 53.660 11.760 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.298 53.266 10.385 1.00 0.00 O ATOM 0 H ASP A 32 48.101 50.200 13.646 1.00 0.00 H new ATOM 0 HA ASP A 32 49.263 51.919 11.778 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.904 50.973 11.951 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.625 52.015 13.333 1.00 0.00 H new ATOM 519 N LYS A 33 49.252 53.274 14.685 1.00 0.00 N ATOM 520 CA LYS A 33 49.758 54.392 15.456 1.00 0.00 C ATOM 521 C LYS A 33 51.207 54.219 15.915 1.00 0.00 C ATOM 522 O LYS A 33 51.963 55.186 15.966 1.00 0.00 O ATOM 523 CB LYS A 33 48.837 54.644 16.646 1.00 0.00 C ATOM 524 CG LYS A 33 47.487 55.243 16.262 1.00 0.00 C ATOM 525 CD LYS A 33 46.597 55.488 17.477 1.00 0.00 C ATOM 526 CE LYS A 33 45.308 56.194 17.065 1.00 0.00 C ATOM 527 NZ LYS A 33 44.378 56.395 18.187 1.00 0.00 N ATOM 0 H LYS A 33 49.016 52.473 15.271 1.00 0.00 H new ATOM 0 HA LYS A 33 49.765 55.259 14.795 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.671 53.703 17.171 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.337 55.315 17.345 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.646 56.184 15.735 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.978 54.572 15.570 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.360 54.539 17.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.131 56.093 18.210 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.554 57.161 16.627 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.812 55.610 16.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.495 56.817 17.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.170 55.479 18.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.810 57.032 18.887 1.00 0.00 H new ATOM 541 N GLU A 34 51.607 52.999 16.258 1.00 0.00 N ATOM 542 CA GLU A 34 52.774 52.706 17.067 1.00 0.00 C ATOM 543 C GLU A 34 53.876 51.897 16.379 1.00 0.00 C ATOM 544 O GLU A 34 54.980 51.809 16.912 1.00 0.00 O ATOM 545 CB GLU A 34 52.310 51.981 18.327 1.00 0.00 C ATOM 546 CG GLU A 34 51.545 52.882 19.291 1.00 0.00 C ATOM 547 CD GLU A 34 52.469 53.938 19.901 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.492 53.534 20.493 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.191 55.150 19.778 1.00 0.00 O ATOM 0 H GLU A 34 51.106 52.160 15.967 1.00 0.00 H new ATOM 0 HA GLU A 34 53.240 53.667 17.285 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.675 51.142 18.043 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.177 51.565 18.839 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.725 53.371 18.765 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.101 52.280 20.084 1.00 0.00 H new ATOM 556 N GLY A 35 53.607 51.279 15.233 1.00 0.00 N ATOM 557 CA GLY A 35 54.588 50.555 14.452 1.00 0.00 C ATOM 558 C GLY A 35 55.060 49.210 15.007 1.00 0.00 C ATOM 559 O GLY A 35 55.916 48.566 14.404 1.00 0.00 O ATOM 0 H GLY A 35 52.676 51.271 14.817 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.172 50.385 13.459 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.461 51.195 14.327 1.00 0.00 H new ATOM 563 N ILE A 36 54.504 48.737 16.119 1.00 0.00 N ATOM 564 CA ILE A 36 54.815 47.447 16.702 1.00 0.00 C ATOM 565 C ILE A 36 54.009 46.374 15.967 1.00 0.00 C ATOM 566 O ILE A 36 52.783 46.447 15.994 1.00 0.00 O ATOM 567 CB ILE A 36 54.530 47.429 18.201 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.207 48.569 18.957 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.975 46.096 18.795 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.656 48.762 20.367 1.00 0.00 C ATOM 0 H ILE A 36 53.806 49.259 16.649 1.00 0.00 H new ATOM 0 HA ILE A 36 55.880 47.244 16.588 1.00 0.00 H new ATOM 0 HB ILE A 36 53.454 47.563 18.315 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.278 48.373 19.015 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.082 49.494 18.395 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.769 46.088 19.865 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.430 45.284 18.315 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.044 45.963 18.630 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.178 49.587 20.852 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.591 48.988 20.314 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.805 47.849 20.944 1.00 0.00 H new ATOM 582 N PRO A 37 54.625 45.384 15.325 1.00 0.00 N ATOM 583 CA PRO A 37 53.902 44.391 14.558 1.00 0.00 C ATOM 584 C PRO A 37 53.149 43.398 15.445 1.00 0.00 C ATOM 585 O PRO A 37 53.533 43.198 16.595 1.00 0.00 O ATOM 586 CB PRO A 37 54.937 43.717 13.662 1.00 0.00 C ATOM 587 CG PRO A 37 56.211 43.825 14.494 1.00 0.00 C ATOM 588 CD PRO A 37 56.053 45.167 15.203 1.00 0.00 C ATOM 0 HA PRO A 37 53.117 44.855 13.960 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.677 42.680 13.450 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.035 44.224 12.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.299 43.003 15.204 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.103 43.803 13.868 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.531 45.150 16.182 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.523 45.968 14.633 1.00 0.00 H new ATOM 596 N PRO A 38 52.089 42.756 14.960 1.00 0.00 N ATOM 597 CA PRO A 38 51.191 41.983 15.795 1.00 0.00 C ATOM 598 C PRO A 38 51.853 40.807 16.516 1.00 0.00 C ATOM 599 O PRO A 38 51.470 40.511 17.646 1.00 0.00 O ATOM 600 CB PRO A 38 50.058 41.515 14.886 1.00 0.00 C ATOM 601 CG PRO A 38 50.055 42.549 13.763 1.00 0.00 C ATOM 602 CD PRO A 38 51.548 42.838 13.619 1.00 0.00 C ATOM 0 HA PRO A 38 50.831 42.613 16.609 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.237 40.509 14.506 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.104 41.491 15.413 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.622 42.156 12.843 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.487 43.441 14.027 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.026 42.115 12.958 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.717 43.824 13.187 1.00 0.00 H new ATOM 610 N ASP A 39 52.882 40.201 15.931 1.00 0.00 N ATOM 611 CA ASP A 39 53.623 39.102 16.515 1.00 0.00 C ATOM 612 C ASP A 39 54.467 39.492 17.731 1.00 0.00 C ATOM 613 O ASP A 39 54.847 38.614 18.502 1.00 0.00 O ATOM 614 CB ASP A 39 54.488 38.438 15.446 1.00 0.00 C ATOM 615 CG ASP A 39 55.597 39.353 14.925 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.315 40.160 14.014 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.749 39.250 15.399 1.00 0.00 O ATOM 0 H ASP A 39 53.228 40.473 15.011 1.00 0.00 H new ATOM 0 HA ASP A 39 52.883 38.396 16.892 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.934 37.533 15.858 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.856 38.131 14.613 1.00 0.00 H new ATOM 622 N GLN A 40 54.731 40.780 17.935 1.00 0.00 N ATOM 623 CA GLN A 40 55.384 41.316 19.112 1.00 0.00 C ATOM 624 C GLN A 40 54.394 41.832 20.158 1.00 0.00 C ATOM 625 O GLN A 40 54.733 41.936 21.335 1.00 0.00 O ATOM 626 CB GLN A 40 56.312 42.460 18.714 1.00 0.00 C ATOM 627 CG GLN A 40 57.460 42.069 17.786 1.00 0.00 C ATOM 628 CD GLN A 40 58.328 43.274 17.417 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.322 44.316 18.066 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.112 43.200 16.345 1.00 0.00 N ATOM 0 H GLN A 40 54.484 41.500 17.256 1.00 0.00 H new ATOM 0 HA GLN A 40 55.945 40.495 19.558 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.720 43.235 18.228 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.731 42.900 19.619 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.077 41.311 18.270 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.057 41.620 16.878 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.136 42.346 15.788 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.690 43.998 16.080 1.00 0.00 H new ATOM 639 N GLN A 41 53.176 42.182 19.753 1.00 0.00 N ATOM 640 CA GLN A 41 52.178 42.721 20.655 1.00 0.00 C ATOM 641 C GLN A 41 51.505 41.600 21.450 1.00 0.00 C ATOM 642 O GLN A 41 50.800 40.777 20.871 1.00 0.00 O ATOM 643 CB GLN A 41 51.126 43.524 19.896 1.00 0.00 C ATOM 644 CG GLN A 41 51.636 44.817 19.267 1.00 0.00 C ATOM 645 CD GLN A 41 50.460 45.657 18.765 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.540 45.966 19.517 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.418 46.038 17.490 1.00 0.00 N ATOM 0 H GLN A 41 52.859 42.097 18.787 1.00 0.00 H new ATOM 0 HA GLN A 41 52.687 43.389 21.349 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.707 42.895 19.110 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.312 43.766 20.579 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.212 45.384 19.999 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.308 44.588 18.440 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.177 45.786 16.857 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.626 46.582 17.146 1.00 0.00 H new ATOM 656 N ARG A 42 51.666 41.595 22.770 1.00 0.00 N ATOM 657 CA ARG A 42 50.906 40.770 23.687 1.00 0.00 C ATOM 658 C ARG A 42 50.108 41.639 24.661 1.00 0.00 C ATOM 659 O ARG A 42 50.668 42.596 25.191 1.00 0.00 O ATOM 660 CB ARG A 42 51.812 39.758 24.383 1.00 0.00 C ATOM 661 CG ARG A 42 52.375 38.754 23.381 1.00 0.00 C ATOM 662 CD ARG A 42 53.211 37.650 24.022 1.00 0.00 C ATOM 663 NE ARG A 42 52.407 36.689 24.776 1.00 0.00 N ATOM 664 CZ ARG A 42 52.814 35.484 25.199 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.050 35.030 24.949 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.006 34.696 25.920 1.00 0.00 N ATOM 0 H ARG A 42 52.352 42.186 23.240 1.00 0.00 H new ATOM 0 HA ARG A 42 50.175 40.189 23.124 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.630 40.278 24.882 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.251 39.232 25.155 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.550 38.300 22.832 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.988 39.285 22.653 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.763 37.122 23.244 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.948 38.100 24.687 1.00 0.00 H new ATOM 0 HE ARG A 42 51.450 36.960 25.000 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.708 35.606 24.424 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.332 34.109 25.283 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.065 35.010 26.155 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.332 33.782 26.234 1.00 0.00 H new ATOM 680 N LEU A 43 48.823 41.348 24.845 1.00 0.00 N ATOM 681 CA LEU A 43 47.880 42.176 25.570 1.00 0.00 C ATOM 682 C LEU A 43 47.094 41.383 26.615 1.00 0.00 C ATOM 683 O LEU A 43 46.647 40.269 26.353 1.00 0.00 O ATOM 684 CB LEU A 43 46.921 42.845 24.588 1.00 0.00 C ATOM 685 CG LEU A 43 47.539 43.910 23.686 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.564 44.283 22.574 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.888 45.182 24.452 1.00 0.00 C ATOM 0 H LEU A 43 48.400 40.496 24.477 1.00 0.00 H new ATOM 0 HA LEU A 43 48.452 42.934 26.105 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.477 42.074 23.958 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.109 43.301 25.154 1.00 0.00 H new ATOM 0 HG LEU A 43 48.455 43.482 23.277 1.00 0.00 H new ATOM 0 HD11 LEU A 43 47.014 45.043 21.936 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.335 43.399 21.979 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.645 44.674 23.012 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.325 45.910 23.768 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.984 45.598 24.897 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.605 44.948 25.239 1.00 0.00 H new ATOM 699 N ILE A 44 46.914 41.986 27.787 1.00 0.00 N ATOM 700 CA ILE A 44 46.256 41.426 28.950 1.00 0.00 C ATOM 701 C ILE A 44 45.108 42.336 29.394 1.00 0.00 C ATOM 702 O ILE A 44 45.228 43.559 29.391 1.00 0.00 O ATOM 703 CB ILE A 44 47.268 41.173 30.063 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.380 40.220 29.633 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.615 40.603 31.319 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.662 40.902 29.166 1.00 0.00 C ATOM 0 H ILE A 44 47.246 42.936 27.954 1.00 0.00 H new ATOM 0 HA ILE A 44 45.821 40.460 28.693 1.00 0.00 H new ATOM 0 HB ILE A 44 47.695 42.151 30.284 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.619 39.562 30.469 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.007 39.589 28.827 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.376 40.440 32.083 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.870 41.306 31.693 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.132 39.656 31.080 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.393 40.146 28.881 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.444 41.538 28.308 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.066 41.511 29.975 1.00 0.00 H new ATOM 718 N PHE A 45 43.994 41.734 29.800 1.00 0.00 N ATOM 719 CA PHE A 45 42.846 42.380 30.403 1.00 0.00 C ATOM 720 C PHE A 45 42.395 41.593 31.635 1.00 0.00 C ATOM 721 O PHE A 45 42.170 40.388 31.551 1.00 0.00 O ATOM 722 CB PHE A 45 41.726 42.456 29.369 1.00 0.00 C ATOM 723 CG PHE A 45 40.392 42.935 29.886 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.249 44.236 30.382 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.282 42.079 29.871 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.016 44.679 30.876 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.042 42.523 30.344 1.00 0.00 C ATOM 728 CZ PHE A 45 37.908 43.823 30.845 1.00 0.00 C ATOM 0 H PHE A 45 43.867 40.726 29.709 1.00 0.00 H new ATOM 0 HA PHE A 45 43.108 43.389 30.723 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.043 43.120 28.565 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.592 41.467 28.932 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.097 44.904 30.384 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.384 41.073 29.493 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.920 45.676 31.279 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.188 41.862 30.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.950 44.166 31.208 1.00 0.00 H new ATOM 738 N ALA A 46 42.267 42.257 32.780 1.00 0.00 N ATOM 739 CA ALA A 46 41.805 41.676 34.025 1.00 0.00 C ATOM 740 C ALA A 46 42.454 40.328 34.344 1.00 0.00 C ATOM 741 O ALA A 46 41.782 39.321 34.559 1.00 0.00 O ATOM 742 CB ALA A 46 40.280 41.680 34.006 1.00 0.00 C ATOM 0 H ALA A 46 42.491 43.249 32.864 1.00 0.00 H new ATOM 0 HA ALA A 46 42.132 42.284 34.869 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.903 41.247 34.933 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.920 42.704 33.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.925 41.091 33.160 1.00 0.00 H new ATOM 748 N GLY A 47 43.782 40.284 34.286 1.00 0.00 N ATOM 749 CA GLY A 47 44.599 39.120 34.566 1.00 0.00 C ATOM 750 C GLY A 47 44.573 37.987 33.537 1.00 0.00 C ATOM 751 O GLY A 47 45.088 36.914 33.842 1.00 0.00 O ATOM 0 H GLY A 47 44.338 41.100 34.030 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.631 39.451 34.679 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.288 38.711 35.527 1.00 0.00 H new ATOM 755 N LYS A 48 43.991 38.194 32.359 1.00 0.00 N ATOM 756 CA LYS A 48 43.812 37.212 31.308 1.00 0.00 C ATOM 757 C LYS A 48 44.395 37.690 29.978 1.00 0.00 C ATOM 758 O LYS A 48 44.245 38.859 29.625 1.00 0.00 O ATOM 759 CB LYS A 48 42.325 36.920 31.128 1.00 0.00 C ATOM 760 CG LYS A 48 41.675 36.291 32.356 1.00 0.00 C ATOM 761 CD LYS A 48 40.172 36.102 32.178 1.00 0.00 C ATOM 762 CE LYS A 48 39.389 37.401 32.009 1.00 0.00 C ATOM 763 NZ LYS A 48 39.485 38.297 33.172 1.00 0.00 N ATOM 0 H LYS A 48 43.612 39.106 32.103 1.00 0.00 H new ATOM 0 HA LYS A 48 44.343 36.308 31.605 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.807 37.849 30.888 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.194 36.253 30.276 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.140 35.326 32.557 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.860 36.921 33.226 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.998 35.471 31.306 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.781 35.566 33.043 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.754 37.924 31.125 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.341 37.164 31.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 38.918 39.152 33.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 39.126 37.808 34.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.478 38.565 33.323 1.00 0.00 H new ATOM 777 N GLN A 49 45.035 36.799 29.225 1.00 0.00 N ATOM 778 CA GLN A 49 45.655 37.107 27.953 1.00 0.00 C ATOM 779 C GLN A 49 44.646 37.119 26.803 1.00 0.00 C ATOM 780 O GLN A 49 43.729 36.301 26.778 1.00 0.00 O ATOM 781 CB GLN A 49 46.787 36.126 27.661 1.00 0.00 C ATOM 782 CG GLN A 49 47.849 36.114 28.755 1.00 0.00 C ATOM 783 CD GLN A 49 49.101 35.308 28.400 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.413 35.032 27.245 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.885 34.933 29.406 1.00 0.00 N ATOM 0 H GLN A 49 45.136 35.821 29.495 1.00 0.00 H new ATOM 0 HA GLN A 49 46.066 38.114 28.030 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.374 35.123 27.549 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.253 36.387 26.711 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.141 37.141 28.975 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.412 35.705 29.666 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.627 35.162 30.366 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.744 34.417 29.218 1.00 0.00 H new ATOM 794 N LEU A 50 44.832 38.014 25.837 1.00 0.00 N ATOM 795 CA LEU A 50 43.945 38.212 24.708 1.00 0.00 C ATOM 796 C LEU A 50 44.535 37.609 23.431 1.00 0.00 C ATOM 797 O LEU A 50 45.546 38.096 22.931 1.00 0.00 O ATOM 798 CB LEU A 50 43.653 39.703 24.557 1.00 0.00 C ATOM 799 CG LEU A 50 43.065 40.395 25.782 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.861 41.877 25.482 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.713 39.810 26.179 1.00 0.00 C ATOM 0 H LEU A 50 45.636 38.642 25.824 1.00 0.00 H new ATOM 0 HA LEU A 50 43.004 37.692 24.888 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.580 40.209 24.288 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.964 39.836 23.723 1.00 0.00 H new ATOM 0 HG LEU A 50 43.768 40.246 26.602 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.441 42.371 26.358 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.819 42.333 25.233 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.177 41.987 24.640 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.333 40.334 27.056 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.010 39.926 25.354 1.00 0.00 H new ATOM 0 HD23 LEU A 50 41.829 38.751 26.411 1.00 0.00 H new ATOM 813 N GLU A 51 43.928 36.554 22.894 1.00 0.00 N ATOM 814 CA GLU A 51 44.410 35.840 21.730 1.00 0.00 C ATOM 815 C GLU A 51 43.801 36.345 20.421 1.00 0.00 C ATOM 816 O GLU A 51 42.594 36.549 20.314 1.00 0.00 O ATOM 817 CB GLU A 51 44.157 34.344 21.896 1.00 0.00 C ATOM 818 CG GLU A 51 44.959 33.682 23.014 1.00 0.00 C ATOM 819 CD GLU A 51 46.454 33.594 22.699 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.263 34.271 23.371 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.829 32.851 21.767 1.00 0.00 O ATOM 0 H GLU A 51 43.064 36.167 23.272 1.00 0.00 H new ATOM 0 HA GLU A 51 45.482 36.028 21.662 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.095 34.188 22.087 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.388 33.844 20.956 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.819 34.244 23.937 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.570 32.679 23.190 1.00 0.00 H new ATOM 828 N ASP A 52 44.622 36.519 19.389 1.00 0.00 N ATOM 829 CA ASP A 52 44.254 37.204 18.167 1.00 0.00 C ATOM 830 C ASP A 52 43.197 36.538 17.282 1.00 0.00 C ATOM 831 O ASP A 52 42.605 37.225 16.452 1.00 0.00 O ATOM 832 CB ASP A 52 45.493 37.635 17.388 1.00 0.00 C ATOM 833 CG ASP A 52 46.284 36.487 16.757 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.498 36.390 17.039 1.00 0.00 O ATOM 835 OD2 ASP A 52 45.732 35.674 15.984 1.00 0.00 O ATOM 0 H ASP A 52 45.583 36.177 19.385 1.00 0.00 H new ATOM 0 HA ASP A 52 43.722 38.090 18.514 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.189 38.324 16.600 1.00 0.00 H new ATOM 0 HB3 ASP A 52 46.152 38.187 18.058 1.00 0.00 H new ATOM 840 N GLY A 53 42.884 35.261 17.483 1.00 0.00 N ATOM 841 CA GLY A 53 41.763 34.599 16.848 1.00 0.00 C ATOM 842 C GLY A 53 40.395 34.923 17.453 1.00 0.00 C ATOM 843 O GLY A 53 39.375 34.636 16.832 1.00 0.00 O ATOM 0 H GLY A 53 43.416 34.652 18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.750 34.870 15.792 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.920 33.522 16.898 1.00 0.00 H new ATOM 847 N ARG A 54 40.355 35.512 18.645 1.00 0.00 N ATOM 848 CA ARG A 54 39.163 35.861 19.390 1.00 0.00 C ATOM 849 C ARG A 54 38.739 37.311 19.144 1.00 0.00 C ATOM 850 O ARG A 54 39.427 38.061 18.455 1.00 0.00 O ATOM 851 CB ARG A 54 39.384 35.567 20.871 1.00 0.00 C ATOM 852 CG ARG A 54 39.884 34.167 21.214 1.00 0.00 C ATOM 853 CD ARG A 54 38.965 33.031 20.772 1.00 0.00 C ATOM 854 NE ARG A 54 37.688 33.029 21.486 1.00 0.00 N ATOM 855 CZ ARG A 54 37.451 32.477 22.683 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.390 31.852 23.408 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.223 32.555 23.213 1.00 0.00 N ATOM 0 H ARG A 54 41.208 35.771 19.141 1.00 0.00 H new ATOM 0 HA ARG A 54 38.336 35.246 19.036 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.100 36.291 21.261 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.444 35.733 21.397 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.862 34.023 20.755 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.026 34.102 22.293 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.778 33.116 19.701 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.469 32.078 20.933 1.00 0.00 H new ATOM 0 HE ARG A 54 36.903 33.492 21.028 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.343 31.779 23.053 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.151 31.450 24.314 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.478 33.032 22.705 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.033 32.137 24.124 1.00 0.00 H new ATOM 871 N THR A 55 37.608 37.720 19.711 1.00 0.00 N ATOM 872 CA THR A 55 37.053 39.057 19.637 1.00 0.00 C ATOM 873 C THR A 55 37.043 39.768 20.991 1.00 0.00 C ATOM 874 O THR A 55 37.199 39.139 22.036 1.00 0.00 O ATOM 875 CB THR A 55 35.634 39.060 19.077 1.00 0.00 C ATOM 876 OG1 THR A 55 34.744 38.440 19.978 1.00 0.00 O ATOM 877 CG2 THR A 55 35.496 38.370 17.723 1.00 0.00 C ATOM 0 H THR A 55 37.027 37.089 20.263 1.00 0.00 H new ATOM 0 HA THR A 55 37.712 39.599 18.959 1.00 0.00 H new ATOM 0 HB THR A 55 35.388 40.113 18.937 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.036 37.520 20.145 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.457 38.416 17.395 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.130 38.873 16.992 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.802 37.328 17.813 1.00 0.00 H new ATOM 885 N LEU A 56 36.786 41.073 20.987 1.00 0.00 N ATOM 886 CA LEU A 56 36.520 41.836 22.190 1.00 0.00 C ATOM 887 C LEU A 56 35.332 41.274 22.974 1.00 0.00 C ATOM 888 O LEU A 56 35.374 41.227 24.201 1.00 0.00 O ATOM 889 CB LEU A 56 36.274 43.287 21.788 1.00 0.00 C ATOM 890 CG LEU A 56 37.517 44.012 21.278 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.105 45.155 20.354 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.334 44.597 22.427 1.00 0.00 C ATOM 0 H LEU A 56 36.758 41.632 20.134 1.00 0.00 H new ATOM 0 HA LEU A 56 37.382 41.770 22.854 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.508 43.313 21.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.877 43.828 22.647 1.00 0.00 H new ATOM 0 HG LEU A 56 38.126 43.283 20.744 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.995 45.670 19.992 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.548 44.755 19.507 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.477 45.858 20.902 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.211 45.106 22.028 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.723 45.309 22.982 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.652 43.795 23.093 1.00 0.00 H new ATOM 904 N SER A 57 34.300 40.795 22.286 1.00 0.00 N ATOM 905 CA SER A 57 33.126 40.199 22.890 1.00 0.00 C ATOM 906 C SER A 57 33.388 38.881 23.621 1.00 0.00 C ATOM 907 O SER A 57 32.747 38.624 24.637 1.00 0.00 O ATOM 908 CB SER A 57 32.009 40.040 21.861 1.00 0.00 C ATOM 909 OG SER A 57 32.254 39.013 20.926 1.00 0.00 O ATOM 0 H SER A 57 34.262 40.814 21.267 1.00 0.00 H new ATOM 0 HA SER A 57 32.810 40.899 23.664 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.073 39.834 22.380 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.878 40.982 21.329 1.00 0.00 H new ATOM 0 HG SER A 57 33.212 38.979 20.721 1.00 0.00 H new ATOM 915 N ASP A 58 34.339 38.063 23.180 1.00 0.00 N ATOM 916 CA ASP A 58 34.680 36.808 23.818 1.00 0.00 C ATOM 917 C ASP A 58 35.149 36.986 25.263 1.00 0.00 C ATOM 918 O ASP A 58 34.869 36.147 26.117 1.00 0.00 O ATOM 919 CB ASP A 58 35.783 36.097 23.039 1.00 0.00 C ATOM 920 CG ASP A 58 35.284 35.477 21.732 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.672 34.388 21.786 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.587 36.020 20.648 1.00 0.00 O ATOM 0 H ASP A 58 34.901 38.263 22.353 1.00 0.00 H new ATOM 0 HA ASP A 58 33.767 36.213 23.825 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.580 36.807 22.818 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.216 35.316 23.664 1.00 0.00 H new ATOM 927 N TYR A 59 35.825 38.096 25.542 1.00 0.00 N ATOM 928 CA TYR A 59 36.362 38.448 26.841 1.00 0.00 C ATOM 929 C TYR A 59 35.501 39.452 27.608 1.00 0.00 C ATOM 930 O TYR A 59 35.942 39.947 28.643 1.00 0.00 O ATOM 931 CB TYR A 59 37.800 38.929 26.666 1.00 0.00 C ATOM 932 CG TYR A 59 38.749 37.920 26.066 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.260 36.890 26.865 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.158 38.040 24.733 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.204 35.997 26.345 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.114 37.161 24.209 1.00 0.00 C ATOM 937 CZ TYR A 59 40.648 36.137 25.014 1.00 0.00 C ATOM 938 OH TYR A 59 41.604 35.304 24.513 1.00 0.00 O ATOM 0 H TYR A 59 36.019 38.803 24.833 1.00 0.00 H new ATOM 0 HA TYR A 59 36.352 37.555 27.465 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.794 39.818 26.035 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.186 39.232 27.640 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.925 36.784 27.886 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.735 38.812 24.107 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.592 35.201 26.963 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.442 37.269 23.186 1.00 0.00 H new ATOM 0 HH TYR A 59 42.426 35.395 25.039 1.00 0.00 H new ATOM 948 N ASN A 60 34.304 39.787 27.136 1.00 0.00 N ATOM 949 CA ASN A 60 33.438 40.790 27.722 1.00 0.00 C ATOM 950 C ASN A 60 34.169 42.105 27.999 1.00 0.00 C ATOM 951 O ASN A 60 34.192 42.622 29.114 1.00 0.00 O ATOM 952 CB ASN A 60 32.664 40.191 28.892 1.00 0.00 C ATOM 953 CG ASN A 60 31.507 41.053 29.403 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.287 42.201 29.023 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.704 40.512 30.316 1.00 0.00 N ATOM 0 H ASN A 60 33.902 39.350 26.307 1.00 0.00 H new ATOM 0 HA ASN A 60 32.681 41.090 26.998 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.270 39.220 28.590 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.357 40.012 29.714 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.921 41.049 30.689 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.872 39.560 30.643 1.00 0.00 H new ATOM 962 N ILE A 61 34.829 42.630 26.970 1.00 0.00 N ATOM 963 CA ILE A 61 35.467 43.931 26.994 1.00 0.00 C ATOM 964 C ILE A 61 34.420 44.987 26.634 1.00 0.00 C ATOM 965 O ILE A 61 33.638 44.820 25.701 1.00 0.00 O ATOM 966 CB ILE A 61 36.715 43.943 26.116 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.776 43.022 26.709 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.270 45.359 25.985 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.948 42.689 25.791 1.00 0.00 C ATOM 0 H ILE A 61 34.934 42.146 26.078 1.00 0.00 H new ATOM 0 HA ILE A 61 35.837 44.172 27.991 1.00 0.00 H new ATOM 0 HB ILE A 61 36.442 43.586 25.123 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.168 43.485 27.615 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.296 42.090 27.008 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.159 45.344 25.355 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.517 46.005 25.534 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.531 45.740 26.972 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.642 42.029 26.312 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.578 42.192 24.894 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.463 43.608 25.510 1.00 0.00 H new ATOM 981 N GLN A 62 34.392 46.071 27.404 1.00 0.00 N ATOM 982 CA GLN A 62 33.406 47.131 27.349 1.00 0.00 C ATOM 983 C GLN A 62 34.076 48.494 27.161 1.00 0.00 C ATOM 984 O GLN A 62 35.280 48.609 27.379 1.00 0.00 O ATOM 985 CB GLN A 62 32.582 47.100 28.633 1.00 0.00 C ATOM 986 CG GLN A 62 31.774 45.824 28.854 1.00 0.00 C ATOM 987 CD GLN A 62 30.564 45.652 27.934 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.997 46.613 27.418 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.094 44.431 27.697 1.00 0.00 N ATOM 0 H GLN A 62 35.099 46.237 28.121 1.00 0.00 H new ATOM 0 HA GLN A 62 32.751 46.974 26.492 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.254 47.238 29.481 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.898 47.948 28.628 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.435 44.967 28.723 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.430 45.805 29.888 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.549 43.619 28.115 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.278 44.306 27.097 1.00 0.00 H new ATOM 998 N LYS A 63 33.320 49.525 26.791 1.00 0.00 N ATOM 999 CA LYS A 63 33.828 50.870 26.610 1.00 0.00 C ATOM 1000 C LYS A 63 34.704 51.346 27.770 1.00 0.00 C ATOM 1001 O LYS A 63 34.404 51.098 28.936 1.00 0.00 O ATOM 1002 CB LYS A 63 32.722 51.871 26.288 1.00 0.00 C ATOM 1003 CG LYS A 63 31.847 52.376 27.432 1.00 0.00 C ATOM 1004 CD LYS A 63 30.755 51.402 27.864 1.00 0.00 C ATOM 1005 CE LYS A 63 29.911 52.007 28.981 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.671 51.244 29.197 1.00 0.00 N ATOM 0 H LYS A 63 32.320 49.441 26.607 1.00 0.00 H new ATOM 0 HA LYS A 63 34.480 50.819 25.738 1.00 0.00 H new ATOM 0 HB2 LYS A 63 33.185 52.738 25.816 1.00 0.00 H new ATOM 0 HB3 LYS A 63 32.067 51.415 25.545 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.482 52.595 28.290 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.382 53.315 27.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.120 51.157 27.012 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.205 50.470 28.205 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.490 52.030 29.904 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.665 53.040 28.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.122 51.683 29.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.107 51.244 28.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.907 50.265 29.457 1.00 0.00 H new ATOM 1020 N GLU A 64 35.796 52.034 27.451 1.00 0.00 N ATOM 1021 CA GLU A 64 36.732 52.643 28.375 1.00 0.00 C ATOM 1022 C GLU A 64 37.404 51.674 29.348 1.00 0.00 C ATOM 1023 O GLU A 64 37.932 52.083 30.380 1.00 0.00 O ATOM 1024 CB GLU A 64 36.089 53.864 29.029 1.00 0.00 C ATOM 1025 CG GLU A 64 35.665 54.928 28.021 1.00 0.00 C ATOM 1026 CD GLU A 64 34.848 56.027 28.704 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.656 56.189 28.363 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.390 56.724 29.589 1.00 0.00 O ATOM 0 H GLU A 64 36.063 52.188 26.478 1.00 0.00 H new ATOM 0 HA GLU A 64 37.586 52.989 27.793 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.217 53.546 29.601 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.792 54.302 29.737 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.547 55.363 27.551 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.075 54.469 27.228 1.00 0.00 H new ATOM 1035 N SER A 65 37.438 50.386 29.016 1.00 0.00 N ATOM 1036 CA SER A 65 38.285 49.407 29.667 1.00 0.00 C ATOM 1037 C SER A 65 39.768 49.711 29.451 1.00 0.00 C ATOM 1038 O SER A 65 40.141 50.192 28.383 1.00 0.00 O ATOM 1039 CB SER A 65 37.994 47.995 29.168 1.00 0.00 C ATOM 1040 OG SER A 65 36.656 47.620 29.407 1.00 0.00 O ATOM 0 H SER A 65 36.863 49.992 28.271 1.00 0.00 H new ATOM 0 HA SER A 65 38.059 49.466 30.732 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.202 47.937 28.100 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.663 47.290 29.662 1.00 0.00 H new ATOM 0 HG SER A 65 36.059 48.170 28.858 1.00 0.00 H new ATOM 1046 N THR A 66 40.619 49.396 30.424 1.00 0.00 N ATOM 1047 CA THR A 66 42.060 49.514 30.317 1.00 0.00 C ATOM 1048 C THR A 66 42.738 48.154 30.140 1.00 0.00 C ATOM 1049 O THR A 66 42.464 47.200 30.864 1.00 0.00 O ATOM 1050 CB THR A 66 42.702 50.294 31.460 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.519 49.690 32.721 1.00 0.00 O ATOM 1052 CG2 THR A 66 42.179 51.723 31.583 1.00 0.00 C ATOM 0 H THR A 66 40.311 49.043 31.330 1.00 0.00 H new ATOM 0 HA THR A 66 42.226 50.100 29.413 1.00 0.00 H new ATOM 0 HB THR A 66 43.759 50.298 31.193 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.953 50.234 33.411 1.00 0.00 H new ATOM 0 HG21 THR A 66 42.676 52.222 32.415 1.00 0.00 H new ATOM 0 HG22 THR A 66 42.383 52.266 30.660 1.00 0.00 H new ATOM 0 HG23 THR A 66 41.104 51.703 31.762 1.00 0.00 H new ATOM 1060 N LEU A 67 43.626 48.072 29.154 1.00 0.00 N ATOM 1061 CA LEU A 67 44.411 46.915 28.772 1.00 0.00 C ATOM 1062 C LEU A 67 45.892 47.172 29.062 1.00 0.00 C ATOM 1063 O LEU A 67 46.393 48.283 28.908 1.00 0.00 O ATOM 1064 CB LEU A 67 44.190 46.594 27.297 1.00 0.00 C ATOM 1065 CG LEU A 67 42.956 45.767 26.947 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.624 46.399 27.342 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.920 45.548 25.438 1.00 0.00 C ATOM 0 H LEU A 67 43.827 48.876 28.560 1.00 0.00 H new ATOM 0 HA LEU A 67 44.091 46.053 29.358 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.134 47.535 26.750 1.00 0.00 H new ATOM 0 HB3 LEU A 67 45.069 46.064 26.930 1.00 0.00 H new ATOM 0 HG LEU A 67 43.056 44.843 27.517 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.807 45.738 27.053 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.600 46.554 28.421 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.512 47.357 26.835 1.00 0.00 H new ATOM 0 HD21 LEU A 67 42.042 44.958 25.177 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.873 46.512 24.931 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.820 45.017 25.126 1.00 0.00 H new ATOM 1079 N HIS A 68 46.597 46.119 29.466 1.00 0.00 N ATOM 1080 CA HIS A 68 47.945 46.157 29.999 1.00 0.00 C ATOM 1081 C HIS A 68 48.876 45.167 29.296 1.00 0.00 C ATOM 1082 O HIS A 68 48.435 44.319 28.524 1.00 0.00 O ATOM 1083 CB HIS A 68 47.870 45.915 31.503 1.00 0.00 C ATOM 1084 CG HIS A 68 47.307 47.078 32.273 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.063 48.106 32.832 1.00 0.00 N ATOM 1086 CD2 HIS A 68 45.980 47.328 32.509 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.190 48.965 33.366 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.933 48.523 33.199 1.00 0.00 N ATOM 0 H HIS A 68 46.220 45.172 29.426 1.00 0.00 H new ATOM 0 HA HIS A 68 48.382 47.138 29.811 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.256 45.034 31.691 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.869 45.692 31.877 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.141 46.715 32.215 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.458 49.886 33.862 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.088 48.990 33.526 1.00 0.00 H new ATOM 1096 N LEU A 69 50.178 45.288 29.538 1.00 0.00 N ATOM 1097 CA LEU A 69 51.206 44.475 28.922 1.00 0.00 C ATOM 1098 C LEU A 69 52.355 44.131 29.870 1.00 0.00 C ATOM 1099 O LEU A 69 52.642 44.870 30.810 1.00 0.00 O ATOM 1100 CB LEU A 69 51.682 45.162 27.645 1.00 0.00 C ATOM 1101 CG LEU A 69 52.482 46.445 27.852 1.00 0.00 C ATOM 1102 CD1 LEU A 69 53.984 46.184 27.774 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.136 47.485 26.790 1.00 0.00 C ATOM 0 H LEU A 69 50.552 45.978 30.190 1.00 0.00 H new ATOM 0 HA LEU A 69 50.772 43.509 28.666 1.00 0.00 H new ATOM 0 HB2 LEU A 69 52.295 44.459 27.081 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.812 45.392 27.030 1.00 0.00 H new ATOM 0 HG LEU A 69 52.220 46.816 28.843 1.00 0.00 H new ATOM 0 HD11 LEU A 69 54.524 47.119 27.926 1.00 0.00 H new ATOM 0 HD12 LEU A 69 54.270 45.470 28.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 54.232 45.777 26.794 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.721 48.389 26.962 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.366 47.086 25.802 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.074 47.724 26.847 1.00 0.00 H new ATOM 1115 N VAL A 70 53.059 43.041 29.578 1.00 0.00 N ATOM 1116 CA VAL A 70 54.276 42.629 30.248 1.00 0.00 C ATOM 1117 C VAL A 70 55.417 42.586 29.230 1.00 0.00 C ATOM 1118 O VAL A 70 55.336 41.851 28.248 1.00 0.00 O ATOM 1119 CB VAL A 70 54.100 41.285 30.949 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.378 40.830 31.646 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.000 41.341 32.006 1.00 0.00 C ATOM 0 H VAL A 70 52.781 42.398 28.837 1.00 0.00 H new ATOM 0 HA VAL A 70 54.519 43.354 31.024 1.00 0.00 H new ATOM 0 HB VAL A 70 53.835 40.579 30.162 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.206 39.869 32.131 1.00 0.00 H new ATOM 0 HG12 VAL A 70 56.176 40.727 30.911 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.667 41.568 32.395 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.904 40.366 32.483 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.255 42.089 32.757 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.055 41.608 31.534 1.00 0.00 H new