USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=16 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 6 LYS NZ :NH3+ 170:sc= 1 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 140:sc= 0.871 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 2.17 (180deg=1.81) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 11 LYS NZ :NH3+ -122:sc= 0.447 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.282 USER MOD Single : A 25 ASN : amide:sc= 0.167 K(o=0.17,f=-0.37) USER MOD Single : A 27 LYS NZ :NH3+ -147:sc= 1.44 (180deg=0.381) USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= 0.85 (180deg=0.258) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= 1.17 (180deg=1.06) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 0.584 K(o=0.58,f=-0.38) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.543 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= 1.22 (180deg=0.792) USER MOD Single : A 65 SER OG : rot 72:sc= 1.19 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.024 X(o=-0.024,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.888 51.861 20.397 1.00 0.00 N ATOM 2 CA MET A 1 33.283 52.090 21.796 1.00 0.00 C ATOM 3 C MET A 1 34.774 52.423 21.870 1.00 0.00 C ATOM 4 O MET A 1 35.537 51.976 21.016 1.00 0.00 O ATOM 5 CB MET A 1 32.941 50.914 22.707 1.00 0.00 C ATOM 6 CG MET A 1 33.722 49.631 22.439 1.00 0.00 C ATOM 7 SD MET A 1 33.370 48.312 23.628 1.00 0.00 S ATOM 8 CE MET A 1 34.528 47.049 23.045 1.00 0.00 C ATOM 0 H1 MET A 1 31.850 51.854 20.326 1.00 0.00 H new ATOM 0 H2 MET A 1 33.271 52.621 19.799 1.00 0.00 H new ATOM 0 H3 MET A 1 33.263 50.946 20.076 1.00 0.00 H new ATOM 0 HA MET A 1 32.705 52.939 22.162 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.113 51.215 23.741 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.877 50.699 22.610 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.490 49.276 21.435 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.789 49.853 22.460 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.443 46.161 23.671 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.294 46.789 22.013 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.546 47.435 23.100 1.00 0.00 H new ATOM 20 N GLN A 2 35.205 53.145 22.900 1.00 0.00 N ATOM 21 CA GLN A 2 36.606 53.348 23.212 1.00 0.00 C ATOM 22 C GLN A 2 37.114 52.329 24.234 1.00 0.00 C ATOM 23 O GLN A 2 36.397 51.980 25.169 1.00 0.00 O ATOM 24 CB GLN A 2 36.855 54.761 23.728 1.00 0.00 C ATOM 25 CG GLN A 2 36.687 55.819 22.641 1.00 0.00 C ATOM 26 CD GLN A 2 36.920 57.232 23.179 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.580 57.574 24.309 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.489 58.127 22.376 1.00 0.00 N ATOM 0 H GLN A 2 34.574 53.612 23.551 1.00 0.00 H new ATOM 0 HA GLN A 2 37.159 53.206 22.283 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.166 54.972 24.546 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.863 54.822 24.137 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.387 55.620 21.829 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.684 55.751 22.221 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.777 57.858 21.435 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.638 59.082 22.701 1.00 0.00 H new ATOM 37 N ILE A 3 38.376 51.932 24.097 1.00 0.00 N ATOM 38 CA ILE A 3 39.172 51.320 25.142 1.00 0.00 C ATOM 39 C ILE A 3 40.524 52.026 25.258 1.00 0.00 C ATOM 40 O ILE A 3 40.972 52.665 24.309 1.00 0.00 O ATOM 41 CB ILE A 3 39.311 49.806 25.005 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.327 49.310 23.980 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.965 49.105 24.840 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.115 49.757 22.537 1.00 0.00 C ATOM 0 H ILE A 3 38.886 52.034 23.220 1.00 0.00 H new ATOM 0 HA ILE A 3 38.630 51.457 26.078 1.00 0.00 H new ATOM 0 HB ILE A 3 39.738 49.517 25.965 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.317 49.637 24.296 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.329 48.220 24.002 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.123 48.031 24.747 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.341 49.306 25.711 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.468 49.477 23.944 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.901 49.339 21.908 1.00 0.00 H new ATOM 0 HD12 ILE A 3 39.144 49.406 22.186 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.148 50.845 22.485 1.00 0.00 H new ATOM 56 N PHE A 4 41.180 51.892 26.407 1.00 0.00 N ATOM 57 CA PHE A 4 42.431 52.556 26.710 1.00 0.00 C ATOM 58 C PHE A 4 43.555 51.544 26.942 1.00 0.00 C ATOM 59 O PHE A 4 43.491 50.763 27.889 1.00 0.00 O ATOM 60 CB PHE A 4 42.242 53.467 27.919 1.00 0.00 C ATOM 61 CG PHE A 4 41.025 54.360 27.865 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.893 55.312 26.846 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.020 54.239 28.830 1.00 0.00 C ATOM 64 CE1 PHE A 4 39.765 56.139 26.795 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.894 55.070 28.787 1.00 0.00 C ATOM 66 CZ PHE A 4 38.762 56.018 27.765 1.00 0.00 C ATOM 0 H PHE A 4 40.843 51.303 27.168 1.00 0.00 H new ATOM 0 HA PHE A 4 42.725 53.164 25.855 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.180 52.848 28.814 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.128 54.093 28.025 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.665 55.408 26.097 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.113 53.501 29.613 1.00 0.00 H new ATOM 0 HE1 PHE A 4 39.668 56.871 26.007 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.127 54.980 29.542 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.890 56.654 27.725 1.00 0.00 H new ATOM 76 N VAL A 5 44.580 51.546 26.095 1.00 0.00 N ATOM 77 CA VAL A 5 45.703 50.633 26.158 1.00 0.00 C ATOM 78 C VAL A 5 46.926 51.330 26.758 1.00 0.00 C ATOM 79 O VAL A 5 47.395 52.329 26.216 1.00 0.00 O ATOM 80 CB VAL A 5 46.021 50.031 24.792 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.089 48.948 24.908 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.793 49.403 24.137 1.00 0.00 C ATOM 0 H VAL A 5 44.648 52.208 25.322 1.00 0.00 H new ATOM 0 HA VAL A 5 45.425 49.806 26.812 1.00 0.00 H new ATOM 0 HB VAL A 5 46.376 50.857 24.176 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.297 48.535 23.921 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.001 49.379 25.321 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.733 48.155 25.565 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.070 48.988 23.168 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.407 48.608 24.775 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.025 50.164 24.000 1.00 0.00 H new ATOM 92 N LYS A 6 47.448 50.812 27.867 1.00 0.00 N ATOM 93 CA LYS A 6 48.543 51.388 28.621 1.00 0.00 C ATOM 94 C LYS A 6 49.867 50.662 28.369 1.00 0.00 C ATOM 95 O LYS A 6 49.941 49.439 28.463 1.00 0.00 O ATOM 96 CB LYS A 6 48.169 51.469 30.098 1.00 0.00 C ATOM 97 CG LYS A 6 47.005 52.430 30.318 1.00 0.00 C ATOM 98 CD LYS A 6 46.682 52.626 31.797 1.00 0.00 C ATOM 99 CE LYS A 6 45.515 53.589 31.996 1.00 0.00 C ATOM 100 NZ LYS A 6 45.870 54.998 31.773 1.00 0.00 N ATOM 0 H LYS A 6 47.101 49.944 28.276 1.00 0.00 H new ATOM 0 HA LYS A 6 48.712 52.406 28.269 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.900 50.478 30.463 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.031 51.799 30.677 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.245 53.395 29.871 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.122 52.050 29.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.441 51.663 32.248 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.562 53.008 32.314 1.00 0.00 H new ATOM 0 HE2 LYS A 6 44.708 53.314 31.316 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.130 53.476 33.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.005 55.576 31.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.491 55.325 32.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.365 55.091 30.863 1.00 0.00 H new ATOM 168 N LYS A 11 52.540 55.412 28.603 1.00 0.00 N ATOM 169 CA LYS A 11 51.676 56.131 27.689 1.00 0.00 C ATOM 170 C LYS A 11 50.305 55.453 27.631 1.00 0.00 C ATOM 171 O LYS A 11 50.221 54.229 27.714 1.00 0.00 O ATOM 172 CB LYS A 11 52.359 56.171 26.326 1.00 0.00 C ATOM 173 CG LYS A 11 51.662 57.023 25.269 1.00 0.00 C ATOM 174 CD LYS A 11 52.221 56.763 23.873 1.00 0.00 C ATOM 175 CE LYS A 11 53.633 57.297 23.649 1.00 0.00 C ATOM 176 NZ LYS A 11 54.120 56.911 22.314 1.00 0.00 N ATOM 0 HA LYS A 11 51.510 57.154 28.026 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.374 56.545 26.458 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.441 55.151 25.950 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.593 56.811 25.278 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.779 58.078 25.517 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.219 55.689 23.688 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.554 57.214 23.138 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.638 58.383 23.745 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.303 56.906 24.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.999 56.364 22.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.401 56.331 21.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.304 57.766 21.751 1.00 0.00 H new ATOM 190 N THR A 12 49.237 56.220 27.432 1.00 0.00 N ATOM 191 CA THR A 12 47.896 55.721 27.204 1.00 0.00 C ATOM 192 C THR A 12 47.459 55.973 25.759 1.00 0.00 C ATOM 193 O THR A 12 47.357 57.119 25.327 1.00 0.00 O ATOM 194 CB THR A 12 46.915 56.342 28.193 1.00 0.00 C ATOM 195 OG1 THR A 12 47.262 55.956 29.505 1.00 0.00 O ATOM 196 CG2 THR A 12 45.487 55.843 27.996 1.00 0.00 C ATOM 0 H THR A 12 49.289 57.239 27.426 1.00 0.00 H new ATOM 0 HA THR A 12 47.900 54.643 27.367 1.00 0.00 H new ATOM 0 HB THR A 12 46.965 57.419 28.030 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.150 56.718 30.111 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.832 56.318 28.726 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.150 56.093 26.990 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.458 54.762 28.131 1.00 0.00 H new ATOM 204 N ILE A 13 47.172 54.902 25.024 1.00 0.00 N ATOM 205 CA ILE A 13 46.654 54.913 23.671 1.00 0.00 C ATOM 206 C ILE A 13 45.138 54.702 23.682 1.00 0.00 C ATOM 207 O ILE A 13 44.656 53.731 24.259 1.00 0.00 O ATOM 208 CB ILE A 13 47.336 53.848 22.814 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.859 53.927 22.803 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.801 53.869 21.385 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.451 55.262 22.357 1.00 0.00 C ATOM 0 H ILE A 13 47.304 53.956 25.381 1.00 0.00 H new ATOM 0 HA ILE A 13 46.870 55.887 23.232 1.00 0.00 H new ATOM 0 HB ILE A 13 47.085 52.900 23.290 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.223 53.707 23.807 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.240 53.144 22.147 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.304 53.101 20.797 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.729 53.674 21.395 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.988 54.847 20.941 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.539 55.206 22.387 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.127 55.482 21.340 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.110 56.053 23.025 1.00 0.00 H new ATOM 223 N THR A 14 44.394 55.571 23.004 1.00 0.00 N ATOM 224 CA THR A 14 42.972 55.408 22.784 1.00 0.00 C ATOM 225 C THR A 14 42.706 54.788 21.411 1.00 0.00 C ATOM 226 O THR A 14 43.301 55.213 20.421 1.00 0.00 O ATOM 227 CB THR A 14 42.232 56.734 22.930 1.00 0.00 C ATOM 228 OG1 THR A 14 42.469 57.295 24.201 1.00 0.00 O ATOM 229 CG2 THR A 14 40.716 56.585 22.826 1.00 0.00 C ATOM 0 H THR A 14 44.775 56.421 22.587 1.00 0.00 H new ATOM 0 HA THR A 14 42.592 54.730 23.548 1.00 0.00 H new ATOM 0 HB THR A 14 42.605 57.359 22.119 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.989 58.146 24.278 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.246 57.562 22.938 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.457 56.167 21.853 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.361 55.919 23.613 1.00 0.00 H new ATOM 237 N LEU A 15 41.811 53.808 21.337 1.00 0.00 N ATOM 238 CA LEU A 15 41.306 53.251 20.099 1.00 0.00 C ATOM 239 C LEU A 15 39.781 53.131 20.112 1.00 0.00 C ATOM 240 O LEU A 15 39.181 52.786 21.128 1.00 0.00 O ATOM 241 CB LEU A 15 41.941 51.894 19.813 1.00 0.00 C ATOM 242 CG LEU A 15 43.396 51.911 19.351 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.901 50.477 19.210 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.574 52.594 17.999 1.00 0.00 C ATOM 0 H LEU A 15 41.408 53.370 22.166 1.00 0.00 H new ATOM 0 HA LEU A 15 41.580 53.941 19.301 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.876 51.289 20.717 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.346 51.392 19.050 1.00 0.00 H new ATOM 0 HG LEU A 15 43.957 52.468 20.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.940 50.488 18.880 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.831 49.970 20.173 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.293 49.948 18.476 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.627 52.578 17.719 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.990 52.066 17.245 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.232 53.627 18.065 1.00 0.00 H new ATOM 256 N GLU A 16 39.175 53.378 18.954 1.00 0.00 N ATOM 257 CA GLU A 16 37.792 53.092 18.632 1.00 0.00 C ATOM 258 C GLU A 16 37.669 51.689 18.033 1.00 0.00 C ATOM 259 O GLU A 16 38.374 51.364 17.081 1.00 0.00 O ATOM 260 CB GLU A 16 37.288 54.184 17.692 1.00 0.00 C ATOM 261 CG GLU A 16 35.935 53.967 17.019 1.00 0.00 C ATOM 262 CD GLU A 16 34.729 54.083 17.952 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.389 55.209 18.374 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.029 53.071 18.178 1.00 0.00 O ATOM 0 H GLU A 16 39.671 53.809 18.174 1.00 0.00 H new ATOM 0 HA GLU A 16 37.171 53.096 19.528 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.238 55.116 18.256 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.034 54.325 16.910 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.825 54.693 16.214 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.928 52.978 16.560 1.00 0.00 H new ATOM 271 N VAL A 17 36.793 50.862 18.598 1.00 0.00 N ATOM 272 CA VAL A 17 36.500 49.501 18.198 1.00 0.00 C ATOM 273 C VAL A 17 35.014 49.177 18.362 1.00 0.00 C ATOM 274 O VAL A 17 34.322 49.839 19.133 1.00 0.00 O ATOM 275 CB VAL A 17 37.315 48.488 18.998 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.819 48.638 18.785 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.031 48.539 20.495 1.00 0.00 C ATOM 0 H VAL A 17 36.235 51.151 19.401 1.00 0.00 H new ATOM 0 HA VAL A 17 36.773 49.427 17.145 1.00 0.00 H new ATOM 0 HB VAL A 17 36.993 47.521 18.611 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.347 47.892 19.379 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.053 48.494 17.730 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.133 49.635 19.094 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.642 47.795 21.007 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.271 49.531 20.877 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.977 48.327 20.673 1.00 0.00 H new ATOM 287 N GLU A 18 34.510 48.128 17.717 1.00 0.00 N ATOM 288 CA GLU A 18 33.240 47.516 18.049 1.00 0.00 C ATOM 289 C GLU A 18 33.445 46.214 18.826 1.00 0.00 C ATOM 290 O GLU A 18 34.439 45.529 18.596 1.00 0.00 O ATOM 291 CB GLU A 18 32.406 47.254 16.798 1.00 0.00 C ATOM 292 CG GLU A 18 31.982 48.499 16.022 1.00 0.00 C ATOM 293 CD GLU A 18 31.163 49.514 16.821 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.318 49.127 17.657 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.338 50.732 16.604 1.00 0.00 O ATOM 0 H GLU A 18 34.986 47.676 16.936 1.00 0.00 H new ATOM 0 HA GLU A 18 32.697 48.218 18.682 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.976 46.607 16.131 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.510 46.704 17.087 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.876 48.994 15.644 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.399 48.187 15.155 1.00 0.00 H new ATOM 302 N PRO A 19 32.532 45.789 19.695 1.00 0.00 N ATOM 303 CA PRO A 19 32.653 44.538 20.417 1.00 0.00 C ATOM 304 C PRO A 19 32.805 43.285 19.554 1.00 0.00 C ATOM 305 O PRO A 19 33.315 42.276 20.035 1.00 0.00 O ATOM 306 CB PRO A 19 31.413 44.447 21.301 1.00 0.00 C ATOM 307 CG PRO A 19 31.038 45.908 21.535 1.00 0.00 C ATOM 308 CD PRO A 19 31.405 46.547 20.199 1.00 0.00 C ATOM 0 HA PRO A 19 33.585 44.557 20.982 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.609 43.899 20.810 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.624 43.931 22.238 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.979 46.026 21.766 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.596 46.345 22.363 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.566 46.509 19.504 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.666 47.598 20.327 1.00 0.00 H new ATOM 316 N SER A 20 32.398 43.331 18.288 1.00 0.00 N ATOM 317 CA SER A 20 32.571 42.274 17.313 1.00 0.00 C ATOM 318 C SER A 20 33.980 42.148 16.729 1.00 0.00 C ATOM 319 O SER A 20 34.251 41.179 16.022 1.00 0.00 O ATOM 320 CB SER A 20 31.560 42.463 16.186 1.00 0.00 C ATOM 321 OG SER A 20 31.608 43.771 15.662 1.00 0.00 O ATOM 0 H SER A 20 31.918 44.145 17.903 1.00 0.00 H new ATOM 0 HA SER A 20 32.404 41.342 17.853 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.761 41.744 15.392 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.557 42.255 16.558 1.00 0.00 H new ATOM 0 HG SER A 20 30.950 43.859 14.941 1.00 0.00 H new ATOM 327 N ASP A 21 34.877 43.097 16.977 1.00 0.00 N ATOM 328 CA ASP A 21 36.241 43.054 16.490 1.00 0.00 C ATOM 329 C ASP A 21 37.092 42.002 17.206 1.00 0.00 C ATOM 330 O ASP A 21 36.800 41.581 18.323 1.00 0.00 O ATOM 331 CB ASP A 21 36.885 44.435 16.579 1.00 0.00 C ATOM 332 CG ASP A 21 36.322 45.419 15.551 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.174 45.026 14.375 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.132 46.614 15.870 1.00 0.00 O ATOM 0 H ASP A 21 34.668 43.928 17.531 1.00 0.00 H new ATOM 0 HA ASP A 21 36.197 42.754 15.443 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.734 44.837 17.581 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.961 44.339 16.432 1.00 0.00 H new ATOM 339 N THR A 22 38.173 41.586 16.552 1.00 0.00 N ATOM 340 CA THR A 22 39.130 40.624 17.062 1.00 0.00 C ATOM 341 C THR A 22 40.357 41.268 17.709 1.00 0.00 C ATOM 342 O THR A 22 40.681 42.431 17.478 1.00 0.00 O ATOM 343 CB THR A 22 39.605 39.675 15.965 1.00 0.00 C ATOM 344 OG1 THR A 22 40.166 40.436 14.919 1.00 0.00 O ATOM 345 CG2 THR A 22 38.488 38.801 15.403 1.00 0.00 C ATOM 0 H THR A 22 38.410 41.925 15.620 1.00 0.00 H new ATOM 0 HA THR A 22 38.591 40.073 17.832 1.00 0.00 H new ATOM 0 HB THR A 22 40.340 39.005 16.411 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.476 39.837 14.208 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.891 38.149 14.628 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.064 38.194 16.203 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.710 39.434 14.977 1.00 0.00 H new ATOM 353 N ILE A 23 41.113 40.471 18.458 1.00 0.00 N ATOM 354 CA ILE A 23 42.426 40.839 18.948 1.00 0.00 C ATOM 355 C ILE A 23 43.405 41.086 17.799 1.00 0.00 C ATOM 356 O ILE A 23 44.248 41.975 17.905 1.00 0.00 O ATOM 357 CB ILE A 23 42.906 39.788 19.945 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.948 39.539 21.106 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.297 40.101 20.487 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.543 40.765 21.919 1.00 0.00 C ATOM 0 H ILE A 23 40.820 39.536 18.743 1.00 0.00 H new ATOM 0 HA ILE A 23 42.367 41.789 19.479 1.00 0.00 H new ATOM 0 HB ILE A 23 42.944 38.868 19.362 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.044 39.076 20.711 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.408 38.817 21.781 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.596 39.325 21.192 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.009 40.136 19.663 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.281 41.066 20.994 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.862 40.465 22.715 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.431 41.222 22.355 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.046 41.485 21.269 1.00 0.00 H new ATOM 372 N GLU A 24 43.273 40.413 16.659 1.00 0.00 N ATOM 373 CA GLU A 24 44.033 40.705 15.461 1.00 0.00 C ATOM 374 C GLU A 24 43.700 42.063 14.838 1.00 0.00 C ATOM 375 O GLU A 24 44.611 42.764 14.406 1.00 0.00 O ATOM 376 CB GLU A 24 43.849 39.554 14.476 1.00 0.00 C ATOM 377 CG GLU A 24 44.780 39.599 13.267 1.00 0.00 C ATOM 378 CD GLU A 24 44.670 38.351 12.390 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.585 38.089 11.579 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.655 37.625 12.459 1.00 0.00 O ATOM 0 H GLU A 24 42.621 39.636 16.547 1.00 0.00 H new ATOM 0 HA GLU A 24 45.085 40.789 15.736 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.005 38.613 15.004 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.817 39.555 14.124 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.549 40.480 12.668 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.809 39.707 13.610 1.00 0.00 H new ATOM 387 N ASN A 25 42.439 42.486 14.856 1.00 0.00 N ATOM 388 CA ASN A 25 42.047 43.828 14.474 1.00 0.00 C ATOM 389 C ASN A 25 42.671 44.874 15.401 1.00 0.00 C ATOM 390 O ASN A 25 43.171 45.892 14.929 1.00 0.00 O ATOM 391 CB ASN A 25 40.530 43.974 14.418 1.00 0.00 C ATOM 392 CG ASN A 25 39.837 43.279 13.244 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.438 42.554 12.455 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.532 43.473 13.077 1.00 0.00 N ATOM 0 H ASN A 25 41.657 41.896 15.140 1.00 0.00 H new ATOM 0 HA ASN A 25 42.429 44.005 13.469 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.112 43.583 15.345 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.287 45.036 14.382 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.044 43.023 12.302 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.019 44.072 13.723 1.00 0.00 H new ATOM 401 N VAL A 26 42.715 44.619 16.705 1.00 0.00 N ATOM 402 CA VAL A 26 43.356 45.493 17.666 1.00 0.00 C ATOM 403 C VAL A 26 44.872 45.552 17.460 1.00 0.00 C ATOM 404 O VAL A 26 45.413 46.653 17.380 1.00 0.00 O ATOM 405 CB VAL A 26 42.986 45.117 19.098 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.729 45.962 20.129 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.495 45.329 19.336 1.00 0.00 C ATOM 0 H VAL A 26 42.299 43.787 17.124 1.00 0.00 H new ATOM 0 HA VAL A 26 42.977 46.500 17.492 1.00 0.00 H new ATOM 0 HB VAL A 26 43.263 44.070 19.217 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.432 45.657 21.132 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.803 45.820 20.010 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.484 47.014 19.982 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.248 45.056 20.362 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.245 46.377 19.169 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.924 44.706 18.647 1.00 0.00 H new ATOM 417 N LYS A 27 45.552 44.424 17.278 1.00 0.00 N ATOM 418 CA LYS A 27 46.958 44.378 16.930 1.00 0.00 C ATOM 419 C LYS A 27 47.259 45.195 15.671 1.00 0.00 C ATOM 420 O LYS A 27 48.221 45.961 15.671 1.00 0.00 O ATOM 421 CB LYS A 27 47.423 42.941 16.717 1.00 0.00 C ATOM 422 CG LYS A 27 47.932 42.245 17.975 1.00 0.00 C ATOM 423 CD LYS A 27 48.461 40.857 17.625 1.00 0.00 C ATOM 424 CE LYS A 27 49.296 40.263 18.757 1.00 0.00 C ATOM 425 NZ LYS A 27 49.926 38.998 18.347 1.00 0.00 N ATOM 0 H LYS A 27 45.128 43.501 17.371 1.00 0.00 H new ATOM 0 HA LYS A 27 47.502 44.815 17.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.595 42.362 16.307 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.216 42.937 15.969 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.722 42.839 18.435 1.00 0.00 H new ATOM 0 HG3 LYS A 27 47.128 42.163 18.706 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.624 40.194 17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.066 40.917 16.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 50.065 40.975 19.057 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.663 40.092 19.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.993 38.362 19.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.351 38.548 17.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.879 39.189 17.978 1.00 0.00 H new ATOM 439 N ALA A 28 46.425 45.085 14.641 1.00 0.00 N ATOM 440 CA ALA A 28 46.607 45.802 13.394 1.00 0.00 C ATOM 441 C ALA A 28 46.488 47.318 13.561 1.00 0.00 C ATOM 442 O ALA A 28 47.294 48.050 12.993 1.00 0.00 O ATOM 443 CB ALA A 28 45.619 45.269 12.360 1.00 0.00 C ATOM 0 H ALA A 28 45.598 44.489 14.654 1.00 0.00 H new ATOM 0 HA ALA A 28 47.625 45.626 13.045 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.752 45.805 11.420 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.798 44.206 12.200 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.601 45.415 12.721 1.00 0.00 H new ATOM 449 N LYS A 29 45.555 47.785 14.386 1.00 0.00 N ATOM 450 CA LYS A 29 45.399 49.184 14.732 1.00 0.00 C ATOM 451 C LYS A 29 46.555 49.711 15.585 1.00 0.00 C ATOM 452 O LYS A 29 47.042 50.807 15.315 1.00 0.00 O ATOM 453 CB LYS A 29 44.051 49.417 15.410 1.00 0.00 C ATOM 454 CG LYS A 29 42.902 49.454 14.406 1.00 0.00 C ATOM 455 CD LYS A 29 41.561 49.735 15.078 1.00 0.00 C ATOM 456 CE LYS A 29 40.537 50.124 14.016 1.00 0.00 C ATOM 457 NZ LYS A 29 39.222 50.433 14.598 1.00 0.00 N ATOM 0 H LYS A 29 44.871 47.180 14.841 1.00 0.00 H new ATOM 0 HA LYS A 29 45.423 49.754 13.803 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.870 48.626 16.138 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.081 50.357 15.961 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.100 50.221 13.658 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.850 48.501 13.879 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.222 48.853 15.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.668 50.537 15.808 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.900 50.991 13.464 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.433 49.310 13.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.758 51.174 14.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.632 49.577 14.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.345 50.767 15.575 1.00 0.00 H new ATOM 471 N ILE A 30 47.044 48.947 16.557 1.00 0.00 N ATOM 472 CA ILE A 30 48.191 49.314 17.365 1.00 0.00 C ATOM 473 C ILE A 30 49.462 49.396 16.518 1.00 0.00 C ATOM 474 O ILE A 30 50.233 50.342 16.657 1.00 0.00 O ATOM 475 CB ILE A 30 48.330 48.372 18.557 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.167 48.572 19.526 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.652 48.571 19.292 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.101 47.554 20.661 1.00 0.00 C ATOM 0 H ILE A 30 46.645 48.042 16.805 1.00 0.00 H new ATOM 0 HA ILE A 30 48.030 50.314 17.768 1.00 0.00 H new ATOM 0 HB ILE A 30 48.314 47.354 18.169 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.238 49.571 19.956 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.233 48.532 18.965 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.708 47.880 20.133 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.480 48.380 18.609 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.713 49.595 19.659 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.244 47.774 21.298 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.996 46.552 20.245 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.016 47.608 21.251 1.00 0.00 H new ATOM 490 N GLN A 31 49.667 48.456 15.599 1.00 0.00 N ATOM 491 CA GLN A 31 50.750 48.482 14.637 1.00 0.00 C ATOM 492 C GLN A 31 50.684 49.717 13.736 1.00 0.00 C ATOM 493 O GLN A 31 51.698 50.381 13.535 1.00 0.00 O ATOM 494 CB GLN A 31 50.709 47.202 13.808 1.00 0.00 C ATOM 495 CG GLN A 31 51.837 47.121 12.784 1.00 0.00 C ATOM 496 CD GLN A 31 51.725 45.876 11.903 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.645 45.463 11.488 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.844 45.246 11.557 1.00 0.00 N ATOM 0 H GLN A 31 49.066 47.637 15.506 1.00 0.00 H new ATOM 0 HA GLN A 31 51.695 48.540 15.178 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.768 46.342 14.475 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.751 47.140 13.291 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.821 48.012 12.156 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.796 47.113 13.302 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.745 45.582 11.897 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.801 44.426 10.951 1.00 0.00 H new ATOM 507 N ASP A 32 49.515 50.068 13.208 1.00 0.00 N ATOM 508 CA ASP A 32 49.346 51.233 12.363 1.00 0.00 C ATOM 509 C ASP A 32 49.557 52.552 13.109 1.00 0.00 C ATOM 510 O ASP A 32 50.331 53.403 12.675 1.00 0.00 O ATOM 511 CB ASP A 32 47.954 51.156 11.741 1.00 0.00 C ATOM 512 CG ASP A 32 47.683 52.349 10.820 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.301 52.410 9.736 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.827 53.190 11.169 1.00 0.00 O ATOM 0 H ASP A 32 48.654 49.543 13.360 1.00 0.00 H new ATOM 0 HA ASP A 32 50.113 51.224 11.589 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.858 50.229 11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.203 51.127 12.530 1.00 0.00 H new ATOM 519 N LYS A 33 48.904 52.706 14.256 1.00 0.00 N ATOM 520 CA LYS A 33 48.862 53.938 15.019 1.00 0.00 C ATOM 521 C LYS A 33 50.153 54.217 15.790 1.00 0.00 C ATOM 522 O LYS A 33 50.516 55.384 15.922 1.00 0.00 O ATOM 523 CB LYS A 33 47.620 53.915 15.905 1.00 0.00 C ATOM 524 CG LYS A 33 47.265 55.269 16.511 1.00 0.00 C ATOM 525 CD LYS A 33 45.889 55.216 17.169 1.00 0.00 C ATOM 526 CE LYS A 33 45.486 56.582 17.717 1.00 0.00 C ATOM 527 NZ LYS A 33 44.065 56.618 18.098 1.00 0.00 N ATOM 0 H LYS A 33 48.374 51.950 14.690 1.00 0.00 H new ATOM 0 HA LYS A 33 48.789 54.780 14.330 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.774 53.558 15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.774 53.197 16.711 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.016 55.552 17.248 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.274 56.035 15.735 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.149 54.880 16.443 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.898 54.485 17.978 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.101 56.822 18.584 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.681 57.347 16.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.773 57.604 18.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.491 56.204 17.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.926 56.072 18.972 1.00 0.00 H new ATOM 541 N GLU A 34 50.868 53.198 16.261 1.00 0.00 N ATOM 542 CA GLU A 34 52.051 53.351 17.082 1.00 0.00 C ATOM 543 C GLU A 34 53.269 52.523 16.665 1.00 0.00 C ATOM 544 O GLU A 34 54.338 52.703 17.243 1.00 0.00 O ATOM 545 CB GLU A 34 51.692 53.070 18.538 1.00 0.00 C ATOM 546 CG GLU A 34 50.987 54.240 19.219 1.00 0.00 C ATOM 547 CD GLU A 34 51.909 55.448 19.390 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.913 55.345 20.127 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.663 56.514 18.783 1.00 0.00 O ATOM 0 H GLU A 34 50.630 52.224 16.074 1.00 0.00 H new ATOM 0 HA GLU A 34 52.370 54.384 16.939 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.050 52.190 18.584 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.601 52.830 19.090 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.116 54.530 18.631 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.621 53.923 20.196 1.00 0.00 H new ATOM 556 N GLY A 35 53.182 51.640 15.675 1.00 0.00 N ATOM 557 CA GLY A 35 54.329 50.941 15.132 1.00 0.00 C ATOM 558 C GLY A 35 54.856 49.765 15.956 1.00 0.00 C ATOM 559 O GLY A 35 55.927 49.246 15.647 1.00 0.00 O ATOM 0 H GLY A 35 52.301 51.391 15.226 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.068 50.574 14.139 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.139 51.659 15.004 1.00 0.00 H new ATOM 563 N ILE A 36 54.145 49.338 16.996 1.00 0.00 N ATOM 564 CA ILE A 36 54.594 48.301 17.904 1.00 0.00 C ATOM 565 C ILE A 36 54.442 46.938 17.227 1.00 0.00 C ATOM 566 O ILE A 36 53.322 46.603 16.848 1.00 0.00 O ATOM 567 CB ILE A 36 53.851 48.382 19.234 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.973 49.756 19.884 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.374 47.318 20.196 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.028 49.990 21.060 1.00 0.00 C ATOM 0 H ILE A 36 53.226 49.713 17.230 1.00 0.00 H new ATOM 0 HA ILE A 36 55.649 48.446 18.136 1.00 0.00 H new ATOM 0 HB ILE A 36 52.797 48.207 19.020 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.999 49.891 20.227 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.787 50.519 19.128 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.836 47.386 21.141 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.222 46.329 19.763 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.438 47.478 20.372 1.00 0.00 H new ATOM 0 HD11 ILE A 36 53.185 50.992 21.459 1.00 0.00 H new ATOM 0 HD12 ILE A 36 51.996 49.891 20.723 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.227 49.254 21.839 1.00 0.00 H new ATOM 582 N PRO A 37 55.491 46.134 17.075 1.00 0.00 N ATOM 583 CA PRO A 37 55.466 44.955 16.233 1.00 0.00 C ATOM 584 C PRO A 37 54.504 43.881 16.743 1.00 0.00 C ATOM 585 O PRO A 37 54.706 43.380 17.846 1.00 0.00 O ATOM 586 CB PRO A 37 56.905 44.452 16.166 1.00 0.00 C ATOM 587 CG PRO A 37 57.600 45.070 17.375 1.00 0.00 C ATOM 588 CD PRO A 37 56.827 46.368 17.587 1.00 0.00 C ATOM 0 HA PRO A 37 55.089 45.204 15.241 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.944 43.363 16.203 1.00 0.00 H new ATOM 0 HB3 PRO A 37 57.386 44.757 15.237 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.545 44.420 18.248 1.00 0.00 H new ATOM 0 HG3 PRO A 37 58.657 45.256 17.182 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.797 46.635 18.643 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.305 47.195 17.063 1.00 0.00 H new ATOM 596 N PRO A 38 53.462 43.516 16.002 1.00 0.00 N ATOM 597 CA PRO A 38 52.362 42.722 16.512 1.00 0.00 C ATOM 598 C PRO A 38 52.743 41.307 16.953 1.00 0.00 C ATOM 599 O PRO A 38 52.202 40.837 17.950 1.00 0.00 O ATOM 600 CB PRO A 38 51.304 42.707 15.413 1.00 0.00 C ATOM 601 CG PRO A 38 52.102 42.966 14.139 1.00 0.00 C ATOM 602 CD PRO A 38 53.177 43.926 14.642 1.00 0.00 C ATOM 0 HA PRO A 38 51.993 43.176 17.432 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.783 41.750 15.372 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.548 43.475 15.575 1.00 0.00 H new ATOM 0 HG2 PRO A 38 52.529 42.051 13.729 1.00 0.00 H new ATOM 0 HG3 PRO A 38 51.489 43.411 13.355 1.00 0.00 H new ATOM 0 HD2 PRO A 38 54.071 43.873 14.021 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.827 44.958 14.609 1.00 0.00 H new ATOM 610 N ASP A 39 53.717 40.660 16.316 1.00 0.00 N ATOM 611 CA ASP A 39 54.177 39.338 16.688 1.00 0.00 C ATOM 612 C ASP A 39 54.905 39.323 18.034 1.00 0.00 C ATOM 613 O ASP A 39 55.051 38.275 18.659 1.00 0.00 O ATOM 614 CB ASP A 39 55.062 38.816 15.559 1.00 0.00 C ATOM 615 CG ASP A 39 55.566 37.388 15.776 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.799 37.191 15.834 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.740 36.454 15.865 1.00 0.00 O ATOM 0 H ASP A 39 54.212 41.052 15.515 1.00 0.00 H new ATOM 0 HA ASP A 39 53.316 38.683 16.824 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.503 38.855 14.624 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.919 39.480 15.446 1.00 0.00 H new ATOM 622 N GLN A 40 55.335 40.489 18.507 1.00 0.00 N ATOM 623 CA GLN A 40 56.049 40.707 19.750 1.00 0.00 C ATOM 624 C GLN A 40 55.145 41.189 20.885 1.00 0.00 C ATOM 625 O GLN A 40 55.605 41.245 22.024 1.00 0.00 O ATOM 626 CB GLN A 40 57.173 41.699 19.467 1.00 0.00 C ATOM 627 CG GLN A 40 58.382 41.582 20.393 1.00 0.00 C ATOM 628 CD GLN A 40 59.440 42.625 20.033 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.725 43.557 20.781 1.00 0.00 O ATOM 630 NE2 GLN A 40 60.049 42.527 18.855 1.00 0.00 N ATOM 0 H GLN A 40 55.182 41.358 17.996 1.00 0.00 H new ATOM 0 HA GLN A 40 56.453 39.757 20.100 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.507 41.564 18.438 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.773 42.710 19.542 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.068 41.717 21.428 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.809 40.582 20.317 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.821 41.758 18.225 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.744 43.221 18.581 1.00 0.00 H new ATOM 639 N GLN A 41 53.887 41.530 20.623 1.00 0.00 N ATOM 640 CA GLN A 41 52.969 42.035 21.624 1.00 0.00 C ATOM 641 C GLN A 41 52.376 40.924 22.492 1.00 0.00 C ATOM 642 O GLN A 41 52.138 39.810 22.031 1.00 0.00 O ATOM 643 CB GLN A 41 51.829 42.813 20.972 1.00 0.00 C ATOM 644 CG GLN A 41 52.219 44.104 20.260 1.00 0.00 C ATOM 645 CD GLN A 41 51.025 44.791 19.594 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.876 44.676 20.015 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.209 45.547 18.515 1.00 0.00 N ATOM 0 H GLN A 41 53.475 41.460 19.692 1.00 0.00 H new ATOM 0 HA GLN A 41 53.553 42.694 22.266 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.336 42.160 20.252 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.094 43.053 21.740 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.673 44.787 20.977 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.975 43.885 19.506 1.00 0.00 H new ATOM 0 HE21 GLN A 41 52.146 45.670 18.132 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.413 46.004 18.071 1.00 0.00 H new ATOM 656 N ARG A 42 52.004 41.270 23.720 1.00 0.00 N ATOM 657 CA ARG A 42 50.914 40.689 24.478 1.00 0.00 C ATOM 658 C ARG A 42 49.919 41.803 24.807 1.00 0.00 C ATOM 659 O ARG A 42 50.336 42.928 25.073 1.00 0.00 O ATOM 660 CB ARG A 42 51.420 40.060 25.773 1.00 0.00 C ATOM 661 CG ARG A 42 52.319 38.836 25.622 1.00 0.00 C ATOM 662 CD ARG A 42 51.577 37.597 25.127 1.00 0.00 C ATOM 663 NE ARG A 42 52.358 36.394 25.414 1.00 0.00 N ATOM 664 CZ ARG A 42 51.947 35.119 25.370 1.00 0.00 C ATOM 665 NH1 ARG A 42 50.755 34.759 24.874 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.767 34.153 25.804 1.00 0.00 N ATOM 0 H ARG A 42 52.486 42.005 24.237 1.00 0.00 H new ATOM 0 HA ARG A 42 50.440 39.905 23.887 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.967 40.820 26.332 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.557 39.779 26.377 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.125 39.070 24.927 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.782 38.613 26.583 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.602 37.531 25.610 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.397 37.676 24.055 1.00 0.00 H new ATOM 0 HE ARG A 42 53.332 36.543 25.679 1.00 0.00 H new ATOM 0 HH11 ARG A 42 50.119 35.468 24.510 1.00 0.00 H new ATOM 0 HH12 ARG A 42 50.484 33.776 24.861 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.692 34.392 26.162 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.467 33.179 25.776 1.00 0.00 H new ATOM 680 N LEU A 43 48.628 41.482 24.806 1.00 0.00 N ATOM 681 CA LEU A 43 47.541 42.396 25.093 1.00 0.00 C ATOM 682 C LEU A 43 46.670 41.811 26.206 1.00 0.00 C ATOM 683 O LEU A 43 46.219 40.673 26.091 1.00 0.00 O ATOM 684 CB LEU A 43 46.737 42.651 23.823 1.00 0.00 C ATOM 685 CG LEU A 43 47.489 43.350 22.694 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.608 43.424 21.450 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.908 44.772 23.057 1.00 0.00 C ATOM 0 H LEU A 43 48.304 40.538 24.596 1.00 0.00 H new ATOM 0 HA LEU A 43 47.933 43.353 25.436 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.367 41.696 23.451 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.865 43.252 24.081 1.00 0.00 H new ATOM 0 HG LEU A 43 48.387 42.760 22.510 1.00 0.00 H new ATOM 0 HD11 LEU A 43 47.152 43.924 20.648 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.341 42.416 21.133 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.702 43.985 21.679 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.439 45.221 22.217 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.022 45.365 23.285 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.562 44.747 23.928 1.00 0.00 H new ATOM 699 N ILE A 44 46.468 42.561 27.285 1.00 0.00 N ATOM 700 CA ILE A 44 45.951 42.066 28.545 1.00 0.00 C ATOM 701 C ILE A 44 44.671 42.806 28.937 1.00 0.00 C ATOM 702 O ILE A 44 44.659 44.034 28.972 1.00 0.00 O ATOM 703 CB ILE A 44 47.002 42.158 29.649 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.351 41.589 29.219 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.515 41.466 30.918 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.479 41.769 30.229 1.00 0.00 C ATOM 0 H ILE A 44 46.668 43.561 27.301 1.00 0.00 H new ATOM 0 HA ILE A 44 45.703 41.013 28.414 1.00 0.00 H new ATOM 0 HB ILE A 44 47.150 43.218 29.856 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.231 40.525 29.017 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.645 42.061 28.281 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.279 41.544 31.691 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.599 41.944 31.264 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.318 40.415 30.707 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.396 41.332 29.832 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.634 42.832 30.415 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.215 41.272 31.162 1.00 0.00 H new ATOM 718 N PHE A 45 43.633 42.058 29.302 1.00 0.00 N ATOM 719 CA PHE A 45 42.447 42.540 29.981 1.00 0.00 C ATOM 720 C PHE A 45 42.123 41.645 31.178 1.00 0.00 C ATOM 721 O PHE A 45 42.209 40.424 31.065 1.00 0.00 O ATOM 722 CB PHE A 45 41.266 42.576 29.016 1.00 0.00 C ATOM 723 CG PHE A 45 39.946 42.970 29.634 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.758 44.267 30.127 1.00 0.00 C ATOM 725 CD2 PHE A 45 38.905 42.037 29.723 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.538 44.627 30.713 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.681 42.398 30.296 1.00 0.00 C ATOM 728 CZ PHE A 45 37.496 43.696 30.790 1.00 0.00 C ATOM 0 H PHE A 45 43.600 41.055 29.121 1.00 0.00 H new ATOM 0 HA PHE A 45 42.637 43.551 30.341 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.496 43.274 28.211 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.157 41.591 28.562 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.556 44.992 30.055 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.048 41.034 29.348 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.401 45.624 31.106 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.879 41.677 30.358 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.551 43.978 31.230 1.00 0.00 H new ATOM 738 N ALA A 46 41.748 42.233 32.312 1.00 0.00 N ATOM 739 CA ALA A 46 41.403 41.548 33.541 1.00 0.00 C ATOM 740 C ALA A 46 42.427 40.498 33.977 1.00 0.00 C ATOM 741 O ALA A 46 42.070 39.423 34.456 1.00 0.00 O ATOM 742 CB ALA A 46 39.965 41.046 33.435 1.00 0.00 C ATOM 0 H ALA A 46 41.675 43.247 32.396 1.00 0.00 H new ATOM 0 HA ALA A 46 41.448 42.257 34.368 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.692 40.528 34.354 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.295 41.892 33.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.880 40.359 32.593 1.00 0.00 H new ATOM 748 N GLY A 47 43.714 40.768 33.784 1.00 0.00 N ATOM 749 CA GLY A 47 44.799 39.858 34.093 1.00 0.00 C ATOM 750 C GLY A 47 44.946 38.658 33.155 1.00 0.00 C ATOM 751 O GLY A 47 45.584 37.677 33.527 1.00 0.00 O ATOM 0 H GLY A 47 44.035 41.655 33.396 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.733 40.419 34.084 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.660 39.487 35.108 1.00 0.00 H new ATOM 755 N LYS A 48 44.349 38.700 31.968 1.00 0.00 N ATOM 756 CA LYS A 48 44.341 37.633 30.988 1.00 0.00 C ATOM 757 C LYS A 48 44.955 38.085 29.662 1.00 0.00 C ATOM 758 O LYS A 48 44.493 39.065 29.082 1.00 0.00 O ATOM 759 CB LYS A 48 42.914 37.128 30.788 1.00 0.00 C ATOM 760 CG LYS A 48 42.289 36.626 32.086 1.00 0.00 C ATOM 761 CD LYS A 48 40.910 35.999 31.893 1.00 0.00 C ATOM 762 CE LYS A 48 39.902 37.028 31.391 1.00 0.00 C ATOM 763 NZ LYS A 48 38.601 36.395 31.124 1.00 0.00 N ATOM 0 H LYS A 48 43.834 39.522 31.653 1.00 0.00 H new ATOM 0 HA LYS A 48 44.956 36.815 31.363 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.301 37.931 30.379 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.916 36.323 30.053 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.954 35.891 32.540 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.207 37.457 32.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.978 35.176 31.182 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.564 35.577 32.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.782 37.818 32.132 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.277 37.498 30.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.929 37.112 30.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.716 35.657 30.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.237 35.968 31.999 1.00 0.00 H new ATOM 777 N GLN A 49 45.966 37.376 29.168 1.00 0.00 N ATOM 778 CA GLN A 49 46.553 37.597 27.862 1.00 0.00 C ATOM 779 C GLN A 49 45.615 37.107 26.757 1.00 0.00 C ATOM 780 O GLN A 49 45.290 35.924 26.682 1.00 0.00 O ATOM 781 CB GLN A 49 47.909 36.903 27.768 1.00 0.00 C ATOM 782 CG GLN A 49 49.016 37.660 28.496 1.00 0.00 C ATOM 783 CD GLN A 49 50.364 36.939 28.425 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.473 35.778 28.039 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.462 37.578 28.820 1.00 0.00 N ATOM 0 H GLN A 49 46.407 36.614 29.683 1.00 0.00 H new ATOM 0 HA GLN A 49 46.703 38.668 27.726 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.827 35.899 28.185 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.182 36.791 26.719 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.117 38.655 28.063 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.734 37.794 29.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.401 38.543 29.145 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.364 37.103 28.797 1.00 0.00 H new ATOM 794 N LEU A 50 45.183 38.022 25.895 1.00 0.00 N ATOM 795 CA LEU A 50 44.159 37.816 24.891 1.00 0.00 C ATOM 796 C LEU A 50 44.742 37.276 23.583 1.00 0.00 C ATOM 797 O LEU A 50 45.762 37.768 23.104 1.00 0.00 O ATOM 798 CB LEU A 50 43.390 39.116 24.679 1.00 0.00 C ATOM 799 CG LEU A 50 42.903 39.838 25.932 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.169 41.110 25.518 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.978 38.983 26.794 1.00 0.00 C ATOM 0 H LEU A 50 45.559 38.970 25.882 1.00 0.00 H new ATOM 0 HA LEU A 50 43.466 37.054 25.248 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.027 39.800 24.118 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.524 38.901 24.053 1.00 0.00 H new ATOM 0 HG LEU A 50 43.781 40.066 26.536 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.817 41.633 26.407 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.847 41.757 24.961 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.317 40.850 24.889 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.666 39.553 27.669 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.100 38.699 26.214 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.506 38.085 27.115 1.00 0.00 H new ATOM 813 N GLU A 51 44.081 36.283 22.996 1.00 0.00 N ATOM 814 CA GLU A 51 44.534 35.553 21.829 1.00 0.00 C ATOM 815 C GLU A 51 43.972 36.113 20.520 1.00 0.00 C ATOM 816 O GLU A 51 42.782 36.399 20.405 1.00 0.00 O ATOM 817 CB GLU A 51 44.181 34.074 21.967 1.00 0.00 C ATOM 818 CG GLU A 51 44.906 33.345 23.094 1.00 0.00 C ATOM 819 CD GLU A 51 46.414 33.234 22.858 1.00 0.00 C ATOM 820 OE1 GLU A 51 46.825 32.562 21.888 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.193 33.790 23.663 1.00 0.00 O ATOM 0 H GLU A 51 43.178 35.956 23.339 1.00 0.00 H new ATOM 0 HA GLU A 51 45.617 35.671 21.781 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.107 33.985 22.128 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.405 33.572 21.026 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.728 33.869 24.033 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.486 32.345 23.203 1.00 0.00 H new ATOM 828 N ASP A 52 44.835 36.225 19.514 1.00 0.00 N ATOM 829 CA ASP A 52 44.627 36.901 18.250 1.00 0.00 C ATOM 830 C ASP A 52 43.355 36.503 17.499 1.00 0.00 C ATOM 831 O ASP A 52 42.719 37.348 16.871 1.00 0.00 O ATOM 832 CB ASP A 52 45.833 36.658 17.349 1.00 0.00 C ATOM 833 CG ASP A 52 47.149 37.255 17.853 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.309 37.561 19.053 1.00 0.00 O ATOM 835 OD2 ASP A 52 48.082 37.402 17.033 1.00 0.00 O ATOM 0 H ASP A 52 45.766 35.812 19.572 1.00 0.00 H new ATOM 0 HA ASP A 52 44.504 37.955 18.499 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.964 35.583 17.224 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.619 37.070 16.363 1.00 0.00 H new ATOM 840 N GLY A 53 42.962 35.234 17.567 1.00 0.00 N ATOM 841 CA GLY A 53 41.818 34.677 16.873 1.00 0.00 C ATOM 842 C GLY A 53 40.444 34.973 17.479 1.00 0.00 C ATOM 843 O GLY A 53 39.457 34.527 16.900 1.00 0.00 O ATOM 0 H GLY A 53 43.456 34.543 18.131 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.826 35.048 15.848 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.943 33.595 16.822 1.00 0.00 H new ATOM 847 N ARG A 54 40.351 35.648 18.621 1.00 0.00 N ATOM 848 CA ARG A 54 39.141 35.799 19.402 1.00 0.00 C ATOM 849 C ARG A 54 38.605 37.233 19.444 1.00 0.00 C ATOM 850 O ARG A 54 39.318 38.165 19.080 1.00 0.00 O ATOM 851 CB ARG A 54 39.361 35.245 20.807 1.00 0.00 C ATOM 852 CG ARG A 54 40.027 33.871 20.826 1.00 0.00 C ATOM 853 CD ARG A 54 39.828 33.128 22.144 1.00 0.00 C ATOM 854 NE ARG A 54 38.513 32.487 22.191 1.00 0.00 N ATOM 855 CZ ARG A 54 37.404 32.937 22.794 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.394 33.995 23.617 1.00 0.00 N ATOM 857 NH2 ARG A 54 36.226 32.334 22.586 1.00 0.00 N ATOM 0 H ARG A 54 41.152 36.121 19.039 1.00 0.00 H new ATOM 0 HA ARG A 54 38.366 35.221 18.899 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.976 35.945 21.372 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.400 35.181 21.318 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.626 33.268 20.012 1.00 0.00 H new ATOM 0 HG3 ARG A 54 41.094 33.989 20.640 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.608 32.376 22.263 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.927 33.824 22.977 1.00 0.00 H new ATOM 0 HE ARG A 54 38.431 31.592 21.708 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.259 34.499 23.810 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.521 34.296 24.050 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.169 31.527 21.965 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.386 32.682 23.048 1.00 0.00 H new ATOM 871 N THR A 55 37.362 37.404 19.883 1.00 0.00 N ATOM 872 CA THR A 55 36.616 38.646 19.845 1.00 0.00 C ATOM 873 C THR A 55 36.451 39.347 21.195 1.00 0.00 C ATOM 874 O THR A 55 36.417 38.718 22.251 1.00 0.00 O ATOM 875 CB THR A 55 35.249 38.490 19.184 1.00 0.00 C ATOM 876 OG1 THR A 55 34.501 37.469 19.806 1.00 0.00 O ATOM 877 CG2 THR A 55 35.364 38.145 17.702 1.00 0.00 C ATOM 0 H THR A 55 36.826 36.640 20.294 1.00 0.00 H new ATOM 0 HA THR A 55 37.246 39.291 19.232 1.00 0.00 H new ATOM 0 HB THR A 55 34.749 39.452 19.294 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.629 37.389 19.367 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.367 38.044 17.274 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.902 38.939 17.184 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.905 37.206 17.588 1.00 0.00 H new ATOM 885 N LEU A 56 36.320 40.669 21.161 1.00 0.00 N ATOM 886 CA LEU A 56 36.240 41.508 22.340 1.00 0.00 C ATOM 887 C LEU A 56 34.994 41.249 23.190 1.00 0.00 C ATOM 888 O LEU A 56 35.095 41.216 24.415 1.00 0.00 O ATOM 889 CB LEU A 56 36.309 42.977 21.930 1.00 0.00 C ATOM 890 CG LEU A 56 37.579 43.431 21.218 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.430 44.886 20.782 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.828 43.333 22.091 1.00 0.00 C ATOM 0 H LEU A 56 36.266 41.195 20.289 1.00 0.00 H new ATOM 0 HA LEU A 56 37.093 41.252 22.969 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.460 43.189 21.280 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.185 43.586 22.825 1.00 0.00 H new ATOM 0 HG LEU A 56 37.706 42.762 20.367 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.339 45.208 20.273 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.582 44.977 20.103 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.263 45.513 21.658 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.696 43.671 21.524 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.705 43.960 22.974 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.976 42.298 22.399 1.00 0.00 H new ATOM 904 N SER A 57 33.835 41.042 22.573 1.00 0.00 N ATOM 905 CA SER A 57 32.595 40.732 23.258 1.00 0.00 C ATOM 906 C SER A 57 32.643 39.397 24.002 1.00 0.00 C ATOM 907 O SER A 57 32.180 39.312 25.137 1.00 0.00 O ATOM 908 CB SER A 57 31.421 40.736 22.283 1.00 0.00 C ATOM 909 OG SER A 57 31.560 39.746 21.289 1.00 0.00 O ATOM 0 H SER A 57 33.735 41.087 21.559 1.00 0.00 H new ATOM 0 HA SER A 57 32.455 41.515 24.003 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.493 40.572 22.831 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.344 41.716 21.811 1.00 0.00 H new ATOM 0 HG SER A 57 30.789 39.778 20.685 1.00 0.00 H new ATOM 915 N ASP A 58 33.261 38.369 23.426 1.00 0.00 N ATOM 916 CA ASP A 58 33.425 37.083 24.074 1.00 0.00 C ATOM 917 C ASP A 58 34.386 37.159 25.261 1.00 0.00 C ATOM 918 O ASP A 58 34.148 36.527 26.288 1.00 0.00 O ATOM 919 CB ASP A 58 33.863 36.043 23.046 1.00 0.00 C ATOM 920 CG ASP A 58 33.694 34.637 23.627 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.688 34.081 24.139 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.566 34.101 23.589 1.00 0.00 O ATOM 0 H ASP A 58 33.663 38.412 22.489 1.00 0.00 H new ATOM 0 HA ASP A 58 32.464 36.777 24.487 1.00 0.00 H new ATOM 0 HB2 ASP A 58 33.270 36.145 22.137 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.904 36.209 22.768 1.00 0.00 H new ATOM 927 N TYR A 59 35.397 38.020 25.183 1.00 0.00 N ATOM 928 CA TYR A 59 36.236 38.399 26.302 1.00 0.00 C ATOM 929 C TYR A 59 35.586 39.365 27.293 1.00 0.00 C ATOM 930 O TYR A 59 36.246 39.777 28.243 1.00 0.00 O ATOM 931 CB TYR A 59 37.582 38.908 25.794 1.00 0.00 C ATOM 932 CG TYR A 59 38.579 37.848 25.387 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.961 36.854 26.296 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.229 37.946 24.151 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.990 35.958 25.979 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.273 37.071 23.833 1.00 0.00 C ATOM 937 CZ TYR A 59 40.660 36.068 24.745 1.00 0.00 C ATOM 938 OH TYR A 59 41.703 35.243 24.443 1.00 0.00 O ATOM 0 H TYR A 59 35.658 38.483 24.312 1.00 0.00 H new ATOM 0 HA TYR A 59 36.393 37.494 26.889 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.403 39.558 24.938 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.033 39.523 26.573 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.458 36.777 27.249 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.923 38.700 23.441 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.269 35.185 26.679 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.784 37.164 22.886 1.00 0.00 H new ATOM 0 HH TYR A 59 41.444 34.313 24.612 1.00 0.00 H new ATOM 948 N ASN A 60 34.299 39.684 27.175 1.00 0.00 N ATOM 949 CA ASN A 60 33.549 40.474 28.129 1.00 0.00 C ATOM 950 C ASN A 60 34.053 41.905 28.319 1.00 0.00 C ATOM 951 O ASN A 60 33.887 42.499 29.383 1.00 0.00 O ATOM 952 CB ASN A 60 33.380 39.668 29.415 1.00 0.00 C ATOM 953 CG ASN A 60 32.133 40.030 30.223 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.186 40.669 31.272 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.957 39.599 29.776 1.00 0.00 N ATOM 0 H ASN A 60 33.735 39.384 26.380 1.00 0.00 H new ATOM 0 HA ASN A 60 32.558 40.659 27.715 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.341 38.608 29.164 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.260 39.815 30.041 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.107 39.799 30.303 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.905 39.068 28.906 1.00 0.00 H new ATOM 962 N ILE A 61 34.660 42.480 27.285 1.00 0.00 N ATOM 963 CA ILE A 61 35.172 43.835 27.277 1.00 0.00 C ATOM 964 C ILE A 61 34.033 44.824 27.025 1.00 0.00 C ATOM 965 O ILE A 61 33.144 44.562 26.218 1.00 0.00 O ATOM 966 CB ILE A 61 36.321 43.960 26.281 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.507 43.121 26.748 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.766 45.406 26.081 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.571 42.860 25.685 1.00 0.00 C ATOM 0 H ILE A 61 34.811 41.993 26.402 1.00 0.00 H new ATOM 0 HA ILE A 61 35.587 44.084 28.254 1.00 0.00 H new ATOM 0 HB ILE A 61 35.955 43.594 25.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.976 43.622 27.595 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.135 42.163 27.111 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.586 45.438 25.363 1.00 0.00 H new ATOM 0 HG22 ILE A 61 35.930 45.995 25.704 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.101 45.819 27.033 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.372 42.256 26.112 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.124 42.328 24.846 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.978 43.809 25.337 1.00 0.00 H new ATOM 981 N GLN A 62 34.061 45.959 27.717 1.00 0.00 N ATOM 982 CA GLN A 62 33.065 47.011 27.654 1.00 0.00 C ATOM 983 C GLN A 62 33.658 48.365 27.260 1.00 0.00 C ATOM 984 O GLN A 62 34.871 48.560 27.294 1.00 0.00 O ATOM 985 CB GLN A 62 32.367 47.123 29.006 1.00 0.00 C ATOM 986 CG GLN A 62 31.503 45.920 29.377 1.00 0.00 C ATOM 987 CD GLN A 62 30.804 46.187 30.711 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.829 46.931 30.794 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.300 45.652 31.823 1.00 0.00 N ATOM 0 H GLN A 62 34.817 46.176 28.366 1.00 0.00 H new ATOM 0 HA GLN A 62 32.351 46.741 26.876 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.122 47.264 29.779 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.742 48.016 29.005 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.764 45.735 28.597 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.120 45.024 29.450 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.109 45.032 31.774 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.872 45.861 32.725 1.00 0.00 H new ATOM 998 N LYS A 63 32.796 49.332 26.957 1.00 0.00 N ATOM 999 CA LYS A 63 33.149 50.721 26.751 1.00 0.00 C ATOM 1000 C LYS A 63 33.910 51.320 27.936 1.00 0.00 C ATOM 1001 O LYS A 63 33.585 51.042 29.088 1.00 0.00 O ATOM 1002 CB LYS A 63 31.883 51.490 26.382 1.00 0.00 C ATOM 1003 CG LYS A 63 30.914 51.710 27.541 1.00 0.00 C ATOM 1004 CD LYS A 63 29.540 52.224 27.122 1.00 0.00 C ATOM 1005 CE LYS A 63 29.547 53.533 26.337 1.00 0.00 C ATOM 1006 NZ LYS A 63 30.122 54.646 27.106 1.00 0.00 N ATOM 0 H LYS A 63 31.797 49.156 26.846 1.00 0.00 H new ATOM 0 HA LYS A 63 33.855 50.800 25.924 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.168 52.460 25.975 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.364 50.951 25.589 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.789 50.770 28.078 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.357 52.420 28.240 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.053 51.459 26.517 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.932 52.359 28.017 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.116 53.399 25.417 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.527 53.785 26.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.622 55.527 26.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.022 54.454 28.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.130 54.746 26.871 1.00 0.00 H new ATOM 1020 N GLU A 64 34.946 52.111 27.669 1.00 0.00 N ATOM 1021 CA GLU A 64 35.858 52.682 28.640 1.00 0.00 C ATOM 1022 C GLU A 64 36.580 51.671 29.532 1.00 0.00 C ATOM 1023 O GLU A 64 36.860 51.945 30.697 1.00 0.00 O ATOM 1024 CB GLU A 64 35.225 53.821 29.433 1.00 0.00 C ATOM 1025 CG GLU A 64 34.727 55.000 28.601 1.00 0.00 C ATOM 1026 CD GLU A 64 33.223 54.918 28.331 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.414 55.263 29.220 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.827 54.523 27.213 1.00 0.00 O ATOM 0 H GLU A 64 35.179 52.382 26.714 1.00 0.00 H new ATOM 0 HA GLU A 64 36.656 53.112 28.036 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.387 53.422 30.004 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.955 54.189 30.154 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.951 55.931 29.121 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.264 55.027 27.653 1.00 0.00 H new ATOM 1035 N SER A 65 36.914 50.493 29.013 1.00 0.00 N ATOM 1036 CA SER A 65 37.765 49.535 29.689 1.00 0.00 C ATOM 1037 C SER A 65 39.255 49.843 29.526 1.00 0.00 C ATOM 1038 O SER A 65 39.663 50.425 28.524 1.00 0.00 O ATOM 1039 CB SER A 65 37.479 48.110 29.224 1.00 0.00 C ATOM 1040 OG SER A 65 36.125 47.791 29.458 1.00 0.00 O ATOM 0 H SER A 65 36.593 50.178 28.097 1.00 0.00 H new ATOM 0 HA SER A 65 37.525 49.621 30.749 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.706 48.012 28.163 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.124 47.409 29.754 1.00 0.00 H new ATOM 0 HG SER A 65 35.559 48.284 28.828 1.00 0.00 H new ATOM 1046 N THR A 66 40.075 49.410 30.479 1.00 0.00 N ATOM 1047 CA THR A 66 41.516 49.571 30.457 1.00 0.00 C ATOM 1048 C THR A 66 42.209 48.241 30.151 1.00 0.00 C ATOM 1049 O THR A 66 41.865 47.206 30.715 1.00 0.00 O ATOM 1050 CB THR A 66 42.051 50.148 31.764 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.367 51.335 32.092 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.527 50.532 31.690 1.00 0.00 C ATOM 0 H THR A 66 39.740 48.924 31.311 1.00 0.00 H new ATOM 0 HA THR A 66 41.741 50.282 29.662 1.00 0.00 H new ATOM 0 HB THR A 66 41.908 49.360 32.504 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.719 51.694 32.933 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.847 50.936 32.651 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.121 49.650 31.452 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.669 51.285 30.915 1.00 0.00 H new ATOM 1060 N LEU A 67 43.200 48.279 29.264 1.00 0.00 N ATOM 1061 CA LEU A 67 44.025 47.156 28.866 1.00 0.00 C ATOM 1062 C LEU A 67 45.506 47.517 28.995 1.00 0.00 C ATOM 1063 O LEU A 67 45.869 48.689 28.949 1.00 0.00 O ATOM 1064 CB LEU A 67 43.684 46.722 27.444 1.00 0.00 C ATOM 1065 CG LEU A 67 42.353 45.990 27.291 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.162 46.911 27.046 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.420 45.055 26.087 1.00 0.00 C ATOM 0 H LEU A 67 43.457 49.141 28.783 1.00 0.00 H new ATOM 0 HA LEU A 67 43.822 46.315 29.529 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.671 47.605 26.805 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.481 46.075 27.077 1.00 0.00 H new ATOM 0 HG LEU A 67 42.203 45.467 28.235 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.255 46.315 26.948 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.055 47.599 27.885 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.323 47.479 26.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.469 44.533 25.979 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.620 45.635 25.186 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.219 44.328 26.235 1.00 0.00 H new ATOM 1079 N HIS A 68 46.371 46.512 29.105 1.00 0.00 N ATOM 1080 CA HIS A 68 47.807 46.689 29.185 1.00 0.00 C ATOM 1081 C HIS A 68 48.507 46.010 28.006 1.00 0.00 C ATOM 1082 O HIS A 68 48.112 44.921 27.596 1.00 0.00 O ATOM 1083 CB HIS A 68 48.320 46.186 30.532 1.00 0.00 C ATOM 1084 CG HIS A 68 47.742 46.909 31.717 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.357 47.947 32.416 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.523 46.655 32.292 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.499 48.314 33.370 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.389 47.560 33.327 1.00 0.00 N ATOM 0 H HIS A 68 46.081 45.535 29.141 1.00 0.00 H new ATOM 0 HA HIS A 68 48.041 47.751 29.118 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.093 45.124 30.622 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.405 46.283 30.555 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.811 45.899 31.995 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.674 49.109 34.080 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.586 47.641 33.951 1.00 0.00 H new ATOM 1096 N LEU A 69 49.548 46.646 27.476 1.00 0.00 N ATOM 1097 CA LEU A 69 50.422 46.104 26.456 1.00 0.00 C ATOM 1098 C LEU A 69 51.771 45.730 27.073 1.00 0.00 C ATOM 1099 O LEU A 69 52.344 46.515 27.826 1.00 0.00 O ATOM 1100 CB LEU A 69 50.523 47.095 25.300 1.00 0.00 C ATOM 1101 CG LEU A 69 51.355 46.628 24.109 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.876 47.324 22.839 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.840 46.955 24.231 1.00 0.00 C ATOM 0 H LEU A 69 49.811 47.590 27.761 1.00 0.00 H new ATOM 0 HA LEU A 69 50.014 45.182 26.042 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.516 47.324 24.951 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.949 48.025 25.677 1.00 0.00 H new ATOM 0 HG LEU A 69 51.228 45.546 24.078 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.473 46.987 21.992 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.828 47.080 22.664 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.984 48.403 22.953 1.00 0.00 H new ATOM 0 HD21 LEU A 69 53.366 46.593 23.348 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.969 48.034 24.313 1.00 0.00 H new ATOM 0 HD23 LEU A 69 53.247 46.472 25.119 1.00 0.00 H new ATOM 1115 N VAL A 70 52.288 44.550 26.744 1.00 0.00 N ATOM 1116 CA VAL A 70 53.579 44.047 27.167 1.00 0.00 C ATOM 1117 C VAL A 70 54.323 43.491 25.950 1.00 0.00 C ATOM 1118 O VAL A 70 53.686 43.088 24.979 1.00 0.00 O ATOM 1119 CB VAL A 70 53.415 43.018 28.280 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.743 42.503 28.829 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.645 43.570 29.477 1.00 0.00 C ATOM 0 H VAL A 70 51.789 43.891 26.146 1.00 0.00 H new ATOM 0 HA VAL A 70 54.179 44.855 27.585 1.00 0.00 H new ATOM 0 HB VAL A 70 52.866 42.207 27.800 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.553 41.775 29.617 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.309 42.030 28.027 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.316 43.336 29.235 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.556 42.797 30.240 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.178 44.427 29.888 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.650 43.880 29.158 1.00 0.00 H new