USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 457 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 16 SER OG : rot -170:sc= 0.746 USER MOD Set 1.2: A 46 SER OG : rot 72:sc= 1.2 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.171 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 K(o=0.17,f=-1.6) USER MOD Set 3.1: A 30 GLN : amide:sc= 0.667 K(o=1.5,f=-3.1) USER MOD Set 3.2: A 33 LYS NZ :NH3+ 171:sc= 0.846 (180deg=0) USER MOD Set 4.1: A 19 SER OG : rot 161:sc= 0 USER MOD Set 4.2: A 41 THR OG1 : rot -140:sc= 0.0296 USER MOD Single : A 1 MET CE :methyl -177:sc= 0 (180deg=-0.0244) USER MOD Single : A 1 MET N :NH3+ -170:sc= -0.0923 (180deg=-0.229) USER MOD Single : A 3 CYS SG : rot 160:sc= -2.12 USER MOD Single : A 6 SER OG : rot -41:sc= 0.0161 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= 1.2 (180deg=0.865) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 2.06 (180deg=1.15) USER MOD Single : A 21 THR OG1 : rot 72:sc= 0.396 USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.28 (180deg=1.22) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.474 X(o=0.47,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.492 1.233 -8.479 1.00 0.00 N ATOM 2 CA MET A 1 -7.155 1.012 -7.187 1.00 0.00 C ATOM 3 C MET A 1 -7.057 -0.442 -6.683 1.00 0.00 C ATOM 4 O MET A 1 -7.526 -0.745 -5.584 1.00 0.00 O ATOM 5 CB MET A 1 -8.626 1.465 -7.266 1.00 0.00 C ATOM 6 CG MET A 1 -8.790 2.966 -7.561 1.00 0.00 C ATOM 7 SD MET A 1 -7.964 4.118 -6.417 1.00 0.00 S ATOM 8 CE MET A 1 -8.816 3.730 -4.861 1.00 0.00 C ATOM 0 H1 MET A 1 -6.448 2.253 -8.677 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.528 0.845 -8.445 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.030 0.758 -9.231 1.00 0.00 H new ATOM 0 HA MET A 1 -6.622 1.617 -6.454 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.133 0.892 -8.043 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.121 1.232 -6.323 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.416 3.158 -8.567 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.855 3.197 -7.567 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.457 4.393 -4.074 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.890 3.868 -4.990 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.614 2.695 -4.584 1.00 0.00 H new ATOM 18 N LEU A 2 -6.435 -1.335 -7.460 1.00 0.00 N ATOM 19 CA LEU A 2 -6.101 -2.712 -7.068 1.00 0.00 C ATOM 20 C LEU A 2 -4.627 -2.842 -6.694 1.00 0.00 C ATOM 21 O LEU A 2 -3.766 -2.110 -7.190 1.00 0.00 O ATOM 22 CB LEU A 2 -6.503 -3.703 -8.177 1.00 0.00 C ATOM 23 CG LEU A 2 -8.010 -3.737 -8.491 1.00 0.00 C ATOM 24 CD1 LEU A 2 -8.273 -4.739 -9.614 1.00 0.00 C ATOM 25 CD2 LEU A 2 -8.854 -4.153 -7.284 1.00 0.00 C ATOM 0 H LEU A 2 -6.140 -1.114 -8.411 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.676 -2.962 -6.176 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -5.961 -3.448 -9.088 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -6.183 -4.703 -7.885 1.00 0.00 H new ATOM 0 HG LEU A 2 -8.295 -2.725 -8.779 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.340 -4.764 -9.837 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -7.723 -4.439 -10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.945 -5.730 -9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.908 -4.160 -7.562 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -8.558 -5.150 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.698 -3.445 -6.470 1.00 0.00 H new ATOM 37 N CYS A 3 -4.353 -3.790 -5.796 1.00 0.00 N ATOM 38 CA CYS A 3 -3.064 -3.911 -5.147 1.00 0.00 C ATOM 39 C CYS A 3 -1.922 -4.259 -6.114 1.00 0.00 C ATOM 40 O CYS A 3 -2.050 -5.054 -7.041 1.00 0.00 O ATOM 41 CB CYS A 3 -3.283 -4.872 -3.970 1.00 0.00 C ATOM 42 SG CYS A 3 -1.782 -5.450 -3.168 1.00 0.00 S ATOM 0 H CYS A 3 -5.029 -4.495 -5.503 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.705 -2.957 -4.761 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.905 -4.375 -3.226 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.842 -5.737 -4.327 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.066 -5.884 -1.976 1.00 0.00 H new ATOM 48 N ALA A 4 -0.774 -3.643 -5.860 1.00 0.00 N ATOM 49 CA ALA A 4 0.452 -3.853 -6.640 1.00 0.00 C ATOM 50 C ALA A 4 1.277 -5.048 -6.129 1.00 0.00 C ATOM 51 O ALA A 4 2.106 -5.585 -6.865 1.00 0.00 O ATOM 52 CB ALA A 4 1.284 -2.570 -6.690 1.00 0.00 C ATOM 0 H ALA A 4 -0.661 -2.974 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 4 0.152 -4.105 -7.657 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.189 -2.745 -7.272 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.701 -1.776 -7.156 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.556 -2.273 -5.677 1.00 0.00 H new ATOM 58 N ILE A 5 1.028 -5.487 -4.887 1.00 0.00 N ATOM 59 CA ILE A 5 1.631 -6.708 -4.333 1.00 0.00 C ATOM 60 C ILE A 5 0.981 -7.956 -4.957 1.00 0.00 C ATOM 61 O ILE A 5 1.705 -8.817 -5.464 1.00 0.00 O ATOM 62 CB ILE A 5 1.579 -6.718 -2.785 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.500 -5.649 -2.160 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.020 -8.103 -2.263 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.766 -4.328 -1.914 1.00 0.00 C ATOM 0 H ILE A 5 0.404 -5.007 -4.239 1.00 0.00 H new ATOM 0 HA ILE A 5 2.688 -6.724 -4.598 1.00 0.00 H new ATOM 0 HB ILE A 5 0.551 -6.496 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.900 -6.022 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.350 -5.473 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.983 -8.110 -1.174 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.350 -8.869 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 5 3.038 -8.309 -2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.454 -3.606 -1.473 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.389 -3.939 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.932 -4.497 -1.233 1.00 0.00 H new ATOM 77 N SER A 6 -0.359 -8.071 -4.930 1.00 0.00 N ATOM 78 CA SER A 6 -1.066 -9.269 -5.435 1.00 0.00 C ATOM 79 C SER A 6 -2.368 -9.007 -6.213 1.00 0.00 C ATOM 80 O SER A 6 -2.933 -9.945 -6.783 1.00 0.00 O ATOM 81 CB SER A 6 -1.302 -10.260 -4.286 1.00 0.00 C ATOM 82 OG SER A 6 -1.348 -11.597 -4.756 1.00 0.00 O ATOM 0 H SER A 6 -0.978 -7.348 -4.563 1.00 0.00 H new ATOM 0 HA SER A 6 -0.398 -9.697 -6.183 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.506 -10.160 -3.548 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.237 -10.018 -3.781 1.00 0.00 H new ATOM 0 HG SER A 6 -1.853 -11.631 -5.595 1.00 0.00 H new ATOM 88 N GLY A 7 -2.863 -7.763 -6.281 1.00 0.00 N ATOM 89 CA GLY A 7 -4.022 -7.423 -7.126 1.00 0.00 C ATOM 90 C GLY A 7 -5.382 -7.583 -6.459 1.00 0.00 C ATOM 91 O GLY A 7 -6.431 -7.401 -7.079 1.00 0.00 O ATOM 0 H GLY A 7 -2.480 -6.973 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.918 -6.390 -7.459 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.997 -8.049 -8.018 1.00 0.00 H new ATOM 95 N LYS A 8 -5.334 -7.902 -5.169 1.00 0.00 N ATOM 96 CA LYS A 8 -6.444 -7.993 -4.229 1.00 0.00 C ATOM 97 C LYS A 8 -7.214 -6.670 -4.160 1.00 0.00 C ATOM 98 O LYS A 8 -6.604 -5.600 -4.200 1.00 0.00 O ATOM 99 CB LYS A 8 -5.789 -8.363 -2.893 1.00 0.00 C ATOM 100 CG LYS A 8 -6.768 -8.633 -1.749 1.00 0.00 C ATOM 101 CD LYS A 8 -5.953 -9.073 -0.530 1.00 0.00 C ATOM 102 CE LYS A 8 -6.871 -9.512 0.614 1.00 0.00 C ATOM 103 NZ LYS A 8 -6.095 -9.827 1.841 1.00 0.00 N ATOM 0 H LYS A 8 -4.445 -8.121 -4.719 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.187 -8.734 -4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.172 -9.249 -3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.120 -7.555 -2.597 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.344 -7.737 -1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.481 -9.407 -2.031 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.293 -9.895 -0.807 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.318 -8.252 -0.197 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.590 -8.722 0.829 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.443 -10.388 0.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.647 -10.468 2.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.200 -10.285 1.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.894 -8.948 2.360 1.00 0.00 H new ATOM 117 N VAL A 9 -8.540 -6.750 -4.028 1.00 0.00 N ATOM 118 CA VAL A 9 -9.425 -5.607 -3.726 1.00 0.00 C ATOM 119 C VAL A 9 -9.104 -5.141 -2.298 1.00 0.00 C ATOM 120 O VAL A 9 -9.376 -5.902 -1.364 1.00 0.00 O ATOM 121 CB VAL A 9 -10.915 -5.988 -3.860 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.817 -4.777 -3.586 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.247 -6.495 -5.271 1.00 0.00 C ATOM 0 H VAL A 9 -9.047 -7.629 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.249 -4.803 -4.441 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.095 -6.777 -3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.862 -5.071 -3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.639 -4.412 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.592 -3.986 -4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.305 -6.753 -5.325 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.026 -5.715 -5.999 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.646 -7.378 -5.491 1.00 0.00 H new ATOM 133 N PRO A 10 -8.455 -3.976 -2.087 1.00 0.00 N ATOM 134 CA PRO A 10 -7.934 -3.585 -0.778 1.00 0.00 C ATOM 135 C PRO A 10 -8.987 -3.573 0.348 1.00 0.00 C ATOM 136 O PRO A 10 -9.867 -2.710 0.383 1.00 0.00 O ATOM 137 CB PRO A 10 -7.273 -2.215 -0.980 1.00 0.00 C ATOM 138 CG PRO A 10 -6.900 -2.215 -2.458 1.00 0.00 C ATOM 139 CD PRO A 10 -8.060 -2.983 -3.083 1.00 0.00 C ATOM 0 HA PRO A 10 -7.218 -4.330 -0.429 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.956 -1.400 -0.738 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.396 -2.095 -0.344 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.819 -1.204 -2.857 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.943 -2.706 -2.637 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -8.888 -2.316 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.757 -3.461 -4.015 1.00 0.00 H new ATOM 147 N ARG A 11 -8.887 -4.525 1.291 1.00 0.00 N ATOM 148 CA ARG A 11 -9.662 -4.543 2.550 1.00 0.00 C ATOM 149 C ARG A 11 -9.365 -3.296 3.389 1.00 0.00 C ATOM 150 O ARG A 11 -10.284 -2.605 3.827 1.00 0.00 O ATOM 151 CB ARG A 11 -9.359 -5.803 3.377 1.00 0.00 C ATOM 152 CG ARG A 11 -9.717 -7.122 2.670 1.00 0.00 C ATOM 153 CD ARG A 11 -9.491 -8.323 3.601 1.00 0.00 C ATOM 154 NE ARG A 11 -8.090 -8.393 4.061 1.00 0.00 N ATOM 155 CZ ARG A 11 -7.603 -8.971 5.141 1.00 0.00 C ATOM 156 NH1 ARG A 11 -8.326 -9.706 5.936 1.00 0.00 N ATOM 157 NH2 ARG A 11 -6.344 -8.810 5.413 1.00 0.00 N ATOM 0 H ARG A 11 -8.254 -5.320 1.201 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.718 -4.551 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.298 -5.814 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.907 -5.747 4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.759 -7.096 2.350 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.110 -7.234 1.772 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.155 -8.247 4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.750 -9.244 3.079 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.406 -7.931 3.462 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.315 -9.855 5.734 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.904 -10.133 6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.757 -8.247 4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.942 -9.246 6.243 1.00 0.00 H new ATOM 171 N ARG A 12 -8.070 -2.995 3.569 1.00 0.00 N ATOM 172 CA ARG A 12 -7.540 -1.774 4.196 1.00 0.00 C ATOM 173 C ARG A 12 -6.672 -1.017 3.177 1.00 0.00 C ATOM 174 O ARG A 12 -5.479 -1.311 3.091 1.00 0.00 O ATOM 175 CB ARG A 12 -6.776 -2.148 5.481 1.00 0.00 C ATOM 176 CG ARG A 12 -7.715 -2.676 6.577 1.00 0.00 C ATOM 177 CD ARG A 12 -6.930 -3.080 7.829 1.00 0.00 C ATOM 178 NE ARG A 12 -7.836 -3.571 8.886 1.00 0.00 N ATOM 179 CZ ARG A 12 -7.501 -4.145 10.028 1.00 0.00 C ATOM 180 NH1 ARG A 12 -6.260 -4.362 10.363 1.00 0.00 N ATOM 181 NH2 ARG A 12 -8.420 -4.516 10.872 1.00 0.00 N ATOM 0 H ARG A 12 -7.328 -3.626 3.267 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.348 -1.104 4.490 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.027 -2.905 5.250 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.241 -1.274 5.852 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.446 -1.909 6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.272 -3.534 6.201 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.208 -3.856 7.575 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -6.363 -2.225 8.199 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.835 -3.454 8.715 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.506 -4.086 9.734 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.043 -4.808 11.254 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.405 -4.364 10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.155 -4.959 11.752 1.00 0.00 H new ATOM 195 N PRO A 13 -7.241 -0.113 2.352 1.00 0.00 N ATOM 196 CA PRO A 13 -6.521 0.604 1.306 1.00 0.00 C ATOM 197 C PRO A 13 -5.386 1.441 1.880 1.00 0.00 C ATOM 198 O PRO A 13 -5.545 2.222 2.819 1.00 0.00 O ATOM 199 CB PRO A 13 -7.553 1.438 0.534 1.00 0.00 C ATOM 200 CG PRO A 13 -8.736 1.513 1.492 1.00 0.00 C ATOM 201 CD PRO A 13 -8.652 0.155 2.180 1.00 0.00 C ATOM 0 HA PRO A 13 -6.035 -0.091 0.622 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.169 2.429 0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.829 0.964 -0.408 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.641 2.338 2.198 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.682 1.650 0.967 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.167 0.171 3.141 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.126 -0.619 1.577 1.00 0.00 H new ATOM 209 N VAL A 14 -4.217 1.221 1.302 1.00 0.00 N ATOM 210 CA VAL A 14 -2.920 1.738 1.749 1.00 0.00 C ATOM 211 C VAL A 14 -2.076 2.150 0.545 1.00 0.00 C ATOM 212 O VAL A 14 -2.132 1.529 -0.513 1.00 0.00 O ATOM 213 CB VAL A 14 -2.248 0.671 2.648 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.728 0.576 2.561 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.576 0.963 4.114 1.00 0.00 C ATOM 0 H VAL A 14 -4.135 0.647 0.463 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.039 2.640 2.349 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.650 -0.272 2.278 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.373 -0.204 3.234 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.436 0.334 1.539 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.287 1.531 2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.104 0.213 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.202 1.952 4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.656 0.933 4.258 1.00 0.00 H new ATOM 225 N LEU A 15 -1.302 3.219 0.711 1.00 0.00 N ATOM 226 CA LEU A 15 -0.543 3.912 -0.331 1.00 0.00 C ATOM 227 C LEU A 15 0.896 4.187 0.141 1.00 0.00 C ATOM 228 O LEU A 15 1.150 4.419 1.324 1.00 0.00 O ATOM 229 CB LEU A 15 -1.313 5.223 -0.625 1.00 0.00 C ATOM 230 CG LEU A 15 -0.571 6.373 -1.332 1.00 0.00 C ATOM 231 CD1 LEU A 15 -0.190 6.060 -2.775 1.00 0.00 C ATOM 232 CD2 LEU A 15 -1.452 7.623 -1.371 1.00 0.00 C ATOM 0 H LEU A 15 -1.179 3.651 1.627 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.455 3.310 -1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.182 4.967 -1.232 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.689 5.606 0.324 1.00 0.00 H new ATOM 0 HG LEU A 15 0.340 6.525 -0.753 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.329 6.915 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.465 5.189 -2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.091 5.852 -3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.917 8.429 -1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.371 7.404 -1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.696 7.928 -0.353 1.00 0.00 H new ATOM 244 N SER A 16 1.833 4.215 -0.807 1.00 0.00 N ATOM 245 CA SER A 16 3.209 4.689 -0.644 1.00 0.00 C ATOM 246 C SER A 16 3.488 5.621 -1.836 1.00 0.00 C ATOM 247 O SER A 16 3.418 5.161 -2.985 1.00 0.00 O ATOM 248 CB SER A 16 4.223 3.544 -0.578 1.00 0.00 C ATOM 249 OG SER A 16 5.533 4.070 -0.690 1.00 0.00 O ATOM 0 H SER A 16 1.645 3.892 -1.756 1.00 0.00 H new ATOM 0 HA SER A 16 3.317 5.214 0.305 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.116 3.002 0.362 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.036 2.831 -1.381 1.00 0.00 H new ATOM 0 HG SER A 16 6.171 3.336 -0.808 1.00 0.00 H new ATOM 255 N PRO A 17 3.769 6.924 -1.619 1.00 0.00 N ATOM 256 CA PRO A 17 4.004 7.910 -2.684 1.00 0.00 C ATOM 257 C PRO A 17 5.100 7.572 -3.709 1.00 0.00 C ATOM 258 O PRO A 17 5.180 8.228 -4.750 1.00 0.00 O ATOM 259 CB PRO A 17 4.354 9.212 -1.953 1.00 0.00 C ATOM 260 CG PRO A 17 3.620 9.086 -0.624 1.00 0.00 C ATOM 261 CD PRO A 17 3.722 7.594 -0.325 1.00 0.00 C ATOM 0 HA PRO A 17 3.105 7.958 -3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.430 9.314 -1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.023 10.087 -2.512 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.087 9.688 0.155 1.00 0.00 H new ATOM 0 HG3 PRO A 17 2.583 9.414 -0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.615 7.374 0.260 1.00 0.00 H new ATOM 0 HD3 PRO A 17 2.867 7.254 0.259 1.00 0.00 H new ATOM 269 N LYS A 18 5.942 6.563 -3.444 1.00 0.00 N ATOM 270 CA LYS A 18 7.019 6.115 -4.336 1.00 0.00 C ATOM 271 C LYS A 18 6.477 5.406 -5.584 1.00 0.00 C ATOM 272 O LYS A 18 6.886 5.737 -6.698 1.00 0.00 O ATOM 273 CB LYS A 18 8.000 5.219 -3.558 1.00 0.00 C ATOM 274 CG LYS A 18 8.998 6.019 -2.693 1.00 0.00 C ATOM 275 CD LYS A 18 8.567 6.320 -1.240 1.00 0.00 C ATOM 276 CE LYS A 18 8.612 5.137 -0.268 1.00 0.00 C ATOM 277 NZ LYS A 18 9.948 4.501 -0.229 1.00 0.00 N ATOM 0 H LYS A 18 5.891 6.022 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 18 7.554 6.995 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.434 4.543 -2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.555 4.600 -4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.939 5.470 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.198 6.967 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.207 7.111 -0.849 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.550 6.712 -1.257 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.344 5.479 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 18 7.867 4.398 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.015 3.884 0.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.088 3.935 -1.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.681 5.237 -0.175 1.00 0.00 H new ATOM 291 N SER A 19 5.535 4.471 -5.415 1.00 0.00 N ATOM 292 CA SER A 19 4.836 3.776 -6.505 1.00 0.00 C ATOM 293 C SER A 19 3.473 4.410 -6.832 1.00 0.00 C ATOM 294 O SER A 19 2.966 4.222 -7.937 1.00 0.00 O ATOM 295 CB SER A 19 4.664 2.304 -6.120 1.00 0.00 C ATOM 296 OG SER A 19 5.940 1.682 -6.043 1.00 0.00 O ATOM 0 H SER A 19 5.228 4.168 -4.491 1.00 0.00 H new ATOM 0 HA SER A 19 5.440 3.864 -7.408 1.00 0.00 H new ATOM 0 HB2 SER A 19 4.151 2.225 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.043 1.794 -6.857 1.00 0.00 H new ATOM 0 HG SER A 19 5.871 0.858 -5.517 1.00 0.00 H new ATOM 302 N ARG A 20 2.893 5.195 -5.904 1.00 0.00 N ATOM 303 CA ARG A 20 1.622 5.957 -5.989 1.00 0.00 C ATOM 304 C ARG A 20 0.334 5.114 -6.142 1.00 0.00 C ATOM 305 O ARG A 20 -0.769 5.659 -6.092 1.00 0.00 O ATOM 306 CB ARG A 20 1.788 7.099 -7.024 1.00 0.00 C ATOM 307 CG ARG A 20 0.612 8.079 -7.201 1.00 0.00 C ATOM 308 CD ARG A 20 0.153 8.738 -5.892 1.00 0.00 C ATOM 309 NE ARG A 20 -1.065 9.547 -6.090 1.00 0.00 N ATOM 310 CZ ARG A 20 -2.315 9.114 -6.133 1.00 0.00 C ATOM 311 NH1 ARG A 20 -2.625 7.850 -6.053 1.00 0.00 N ATOM 312 NH2 ARG A 20 -3.298 9.961 -6.261 1.00 0.00 N ATOM 0 H ARG A 20 3.336 5.327 -4.995 1.00 0.00 H new ATOM 0 HA ARG A 20 1.442 6.401 -5.010 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.669 7.678 -6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.996 6.646 -7.993 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.903 8.857 -7.906 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.230 7.546 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.038 7.969 -5.144 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.951 9.370 -5.503 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.929 10.551 -6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.890 7.150 -5.953 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.603 7.561 -6.091 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.105 10.960 -6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.260 9.624 -6.294 1.00 0.00 H new ATOM 326 N THR A 21 0.445 3.795 -6.267 1.00 0.00 N ATOM 327 CA THR A 21 -0.654 2.821 -6.328 1.00 0.00 C ATOM 328 C THR A 21 -1.346 2.608 -4.970 1.00 0.00 C ATOM 329 O THR A 21 -0.810 3.004 -3.932 1.00 0.00 O ATOM 330 CB THR A 21 -0.084 1.490 -6.838 1.00 0.00 C ATOM 331 OG1 THR A 21 0.930 1.003 -5.991 1.00 0.00 O ATOM 332 CG2 THR A 21 0.585 1.646 -8.200 1.00 0.00 C ATOM 0 H THR A 21 1.358 3.344 -6.333 1.00 0.00 H new ATOM 0 HA THR A 21 -1.416 3.211 -7.002 1.00 0.00 H new ATOM 0 HB THR A 21 -0.938 0.814 -6.882 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.532 0.679 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.975 0.682 -8.526 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.145 2.006 -8.925 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.403 2.362 -8.124 1.00 0.00 H new ATOM 340 N ILE A 22 -2.507 1.933 -4.955 1.00 0.00 N ATOM 341 CA ILE A 22 -3.245 1.593 -3.727 1.00 0.00 C ATOM 342 C ILE A 22 -3.261 0.069 -3.579 1.00 0.00 C ATOM 343 O ILE A 22 -3.832 -0.640 -4.410 1.00 0.00 O ATOM 344 CB ILE A 22 -4.680 2.167 -3.726 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.806 3.646 -4.163 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.338 1.954 -2.348 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.044 4.660 -3.302 1.00 0.00 C ATOM 0 H ILE A 22 -2.965 1.604 -5.805 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.739 2.047 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.209 1.605 -4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.455 3.733 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.862 3.917 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.348 2.363 -2.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.380 0.888 -2.126 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.751 2.461 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.201 5.664 -3.697 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.408 4.613 -2.276 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.980 4.426 -3.320 1.00 0.00 H new ATOM 359 N PHE A 23 -2.632 -0.435 -2.524 1.00 0.00 N ATOM 360 CA PHE A 23 -2.565 -1.850 -2.156 1.00 0.00 C ATOM 361 C PHE A 23 -3.273 -2.118 -0.828 1.00 0.00 C ATOM 362 O PHE A 23 -3.728 -1.202 -0.141 1.00 0.00 O ATOM 363 CB PHE A 23 -1.116 -2.384 -2.196 1.00 0.00 C ATOM 364 CG PHE A 23 -0.015 -1.358 -2.122 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.181 -0.647 -0.941 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.792 -1.101 -3.233 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.081 0.435 -0.913 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.748 -0.075 -3.197 1.00 0.00 C ATOM 369 CZ PHE A 23 1.865 0.719 -2.045 1.00 0.00 C ATOM 0 H PHE A 23 -2.128 0.160 -1.866 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.111 -2.418 -2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.987 -3.082 -1.368 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.989 -2.954 -3.116 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.357 -0.925 -0.047 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.679 -1.697 -4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.169 1.044 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.389 0.103 -4.048 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.557 1.548 -2.028 1.00 0.00 H new ATOM 379 N GLU A 24 -3.416 -3.394 -0.480 1.00 0.00 N ATOM 380 CA GLU A 24 -3.921 -3.779 0.834 1.00 0.00 C ATOM 381 C GLU A 24 -2.825 -3.540 1.893 1.00 0.00 C ATOM 382 O GLU A 24 -1.664 -3.884 1.651 1.00 0.00 O ATOM 383 CB GLU A 24 -4.381 -5.249 0.800 1.00 0.00 C ATOM 384 CG GLU A 24 -5.678 -5.518 1.576 1.00 0.00 C ATOM 385 CD GLU A 24 -5.426 -6.137 2.950 1.00 0.00 C ATOM 386 OE1 GLU A 24 -5.034 -5.393 3.871 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.647 -7.361 3.103 1.00 0.00 O ATOM 0 H GLU A 24 -3.189 -4.179 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.784 -3.170 1.103 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.522 -5.550 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.589 -5.876 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.224 -4.583 1.698 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.314 -6.184 0.993 1.00 0.00 H new ATOM 394 N LYS A 25 -3.173 -3.005 3.074 1.00 0.00 N ATOM 395 CA LYS A 25 -2.280 -2.814 4.224 1.00 0.00 C ATOM 396 C LYS A 25 -1.540 -4.109 4.514 1.00 0.00 C ATOM 397 O LYS A 25 -0.321 -4.106 4.673 1.00 0.00 O ATOM 398 CB LYS A 25 -3.094 -2.372 5.453 1.00 0.00 C ATOM 399 CG LYS A 25 -2.179 -2.085 6.655 1.00 0.00 C ATOM 400 CD LYS A 25 -2.951 -1.415 7.798 1.00 0.00 C ATOM 401 CE LYS A 25 -2.018 -1.220 8.999 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.674 -0.429 10.070 1.00 0.00 N ATOM 0 H LYS A 25 -4.122 -2.681 3.259 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.552 -2.036 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.669 -1.478 5.209 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.811 -3.150 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.738 -3.017 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.357 -1.441 6.343 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.345 -0.453 7.470 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.805 -2.029 8.083 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.721 -2.192 9.392 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.108 -0.715 8.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.089 -0.457 10.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.782 0.557 9.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.611 -0.832 10.275 1.00 0.00 H new ATOM 416 N SER A 26 -2.282 -5.217 4.531 1.00 0.00 N ATOM 417 CA SER A 26 -1.735 -6.529 4.856 1.00 0.00 C ATOM 418 C SER A 26 -0.694 -7.014 3.835 1.00 0.00 C ATOM 419 O SER A 26 0.359 -7.533 4.211 1.00 0.00 O ATOM 420 CB SER A 26 -2.860 -7.555 5.004 1.00 0.00 C ATOM 421 OG SER A 26 -2.364 -8.756 5.568 1.00 0.00 O ATOM 0 H SER A 26 -3.280 -5.227 4.319 1.00 0.00 H new ATOM 0 HA SER A 26 -1.214 -6.425 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.650 -7.149 5.635 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.304 -7.760 4.030 1.00 0.00 H new ATOM 0 HG SER A 26 -3.096 -9.402 5.658 1.00 0.00 H new ATOM 427 N LEU A 27 -0.955 -6.823 2.534 1.00 0.00 N ATOM 428 CA LEU A 27 -0.066 -7.273 1.467 1.00 0.00 C ATOM 429 C LEU A 27 1.213 -6.423 1.404 1.00 0.00 C ATOM 430 O LEU A 27 2.303 -6.980 1.260 1.00 0.00 O ATOM 431 CB LEU A 27 -0.804 -7.253 0.118 1.00 0.00 C ATOM 432 CG LEU A 27 -2.075 -8.116 -0.067 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.023 -8.819 -1.410 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.320 -9.208 0.977 1.00 0.00 C ATOM 0 H LEU A 27 -1.793 -6.350 2.197 1.00 0.00 H new ATOM 0 HA LEU A 27 0.235 -8.297 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.078 -6.219 -0.089 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.091 -7.553 -0.649 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.886 -7.394 0.031 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.919 -9.426 -1.538 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.970 -8.077 -2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.142 -9.459 -1.452 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.240 -9.741 0.737 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.484 -9.907 0.975 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.411 -8.754 1.964 1.00 0.00 H new ATOM 446 N LEU A 28 1.107 -5.095 1.573 1.00 0.00 N ATOM 447 CA LEU A 28 2.291 -4.232 1.672 1.00 0.00 C ATOM 448 C LEU A 28 3.098 -4.608 2.921 1.00 0.00 C ATOM 449 O LEU A 28 4.316 -4.730 2.835 1.00 0.00 O ATOM 450 CB LEU A 28 1.936 -2.736 1.714 1.00 0.00 C ATOM 451 CG LEU A 28 3.207 -1.842 1.681 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.825 -1.777 0.283 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.875 -0.438 2.177 1.00 0.00 C ATOM 0 H LEU A 28 0.218 -4.600 1.643 1.00 0.00 H new ATOM 0 HA LEU A 28 2.885 -4.394 0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.296 -2.490 0.867 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.365 -2.523 2.617 1.00 0.00 H new ATOM 0 HG LEU A 28 3.944 -2.295 2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.711 -1.142 0.306 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.106 -2.780 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.099 -1.363 -0.417 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.773 0.179 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.111 0.003 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.503 -0.492 3.200 1.00 0.00 H new ATOM 465 N GLU A 29 2.432 -4.824 4.062 1.00 0.00 N ATOM 466 CA GLU A 29 3.084 -5.208 5.320 1.00 0.00 C ATOM 467 C GLU A 29 3.930 -6.480 5.149 1.00 0.00 C ATOM 468 O GLU A 29 5.054 -6.554 5.646 1.00 0.00 O ATOM 469 CB GLU A 29 2.045 -5.347 6.447 1.00 0.00 C ATOM 470 CG GLU A 29 2.683 -5.627 7.813 1.00 0.00 C ATOM 471 CD GLU A 29 1.622 -5.634 8.929 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.334 -4.557 9.505 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.077 -6.718 9.254 1.00 0.00 O ATOM 0 H GLU A 29 1.419 -4.737 4.139 1.00 0.00 H new ATOM 0 HA GLU A 29 3.773 -4.413 5.606 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.456 -4.432 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.355 -6.154 6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.196 -6.589 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.437 -4.869 8.028 1.00 0.00 H new ATOM 480 N GLN A 30 3.439 -7.454 4.376 1.00 0.00 N ATOM 481 CA GLN A 30 4.194 -8.668 4.053 1.00 0.00 C ATOM 482 C GLN A 30 5.441 -8.360 3.201 1.00 0.00 C ATOM 483 O GLN A 30 6.535 -8.854 3.478 1.00 0.00 O ATOM 484 CB GLN A 30 3.271 -9.664 3.331 1.00 0.00 C ATOM 485 CG GLN A 30 3.715 -11.126 3.518 1.00 0.00 C ATOM 486 CD GLN A 30 3.472 -11.651 4.934 1.00 0.00 C ATOM 487 OE1 GLN A 30 4.379 -11.815 5.742 1.00 0.00 O ATOM 488 NE2 GLN A 30 2.239 -11.940 5.301 1.00 0.00 N ATOM 0 H GLN A 30 2.509 -7.423 3.958 1.00 0.00 H new ATOM 0 HA GLN A 30 4.550 -9.110 4.984 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.254 -9.547 3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.250 -9.428 2.267 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.180 -11.756 2.807 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.776 -11.210 3.283 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.468 -11.811 4.645 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.056 -12.292 6.241 1.00 0.00 H new ATOM 497 N TYR A 31 5.291 -7.528 2.167 1.00 0.00 N ATOM 498 CA TYR A 31 6.353 -7.195 1.214 1.00 0.00 C ATOM 499 C TYR A 31 7.455 -6.337 1.849 1.00 0.00 C ATOM 500 O TYR A 31 8.653 -6.528 1.617 1.00 0.00 O ATOM 501 CB TYR A 31 5.715 -6.508 0.000 1.00 0.00 C ATOM 502 CG TYR A 31 6.656 -6.305 -1.173 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.222 -7.419 -1.820 1.00 0.00 C ATOM 504 CD2 TYR A 31 6.952 -5.011 -1.629 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.063 -7.238 -2.938 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.838 -4.832 -2.708 1.00 0.00 C ATOM 507 CZ TYR A 31 8.390 -5.939 -3.373 1.00 0.00 C ATOM 508 OH TYR A 31 9.232 -5.747 -4.426 1.00 0.00 O ATOM 0 H TYR A 31 4.409 -7.057 1.965 1.00 0.00 H new ATOM 0 HA TYR A 31 6.849 -8.111 0.894 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.863 -7.102 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.326 -5.538 0.310 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.012 -8.415 -1.460 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.500 -4.153 -1.152 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.457 -8.097 -3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.096 -3.833 -3.028 1.00 0.00 H new ATOM 0 HH TYR A 31 9.342 -4.786 -4.586 1.00 0.00 H new ATOM 518 N VAL A 32 7.053 -5.415 2.725 1.00 0.00 N ATOM 519 CA VAL A 32 7.953 -4.490 3.421 1.00 0.00 C ATOM 520 C VAL A 32 8.667 -5.146 4.627 1.00 0.00 C ATOM 521 O VAL A 32 9.709 -4.690 5.091 1.00 0.00 O ATOM 522 CB VAL A 32 7.174 -3.203 3.778 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.341 -3.352 5.054 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.039 -1.963 3.980 1.00 0.00 C ATOM 0 H VAL A 32 6.073 -5.287 2.977 1.00 0.00 H new ATOM 0 HA VAL A 32 8.770 -4.213 2.754 1.00 0.00 H new ATOM 0 HB VAL A 32 6.544 -3.063 2.899 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.816 -2.419 5.257 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.616 -4.156 4.924 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.997 -3.588 5.892 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.404 -1.112 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.742 -2.139 4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.590 -1.751 3.064 1.00 0.00 H new ATOM 534 N LYS A 33 8.128 -6.268 5.104 1.00 0.00 N ATOM 535 CA LYS A 33 8.735 -7.200 6.075 1.00 0.00 C ATOM 536 C LYS A 33 9.754 -8.111 5.373 1.00 0.00 C ATOM 537 O LYS A 33 10.740 -8.526 5.980 1.00 0.00 O ATOM 538 CB LYS A 33 7.582 -8.000 6.707 1.00 0.00 C ATOM 539 CG LYS A 33 7.941 -9.277 7.483 1.00 0.00 C ATOM 540 CD LYS A 33 6.640 -10.010 7.834 1.00 0.00 C ATOM 541 CE LYS A 33 6.912 -11.445 8.294 1.00 0.00 C ATOM 542 NZ LYS A 33 5.651 -12.229 8.347 1.00 0.00 N ATOM 0 H LYS A 33 7.201 -6.576 4.810 1.00 0.00 H new ATOM 0 HA LYS A 33 9.284 -6.668 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.044 -7.336 7.384 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.889 -8.274 5.912 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.587 -9.917 6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.493 -9.028 8.389 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.116 -9.467 8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.983 -10.024 6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.615 -11.923 7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.380 -11.434 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.872 -13.232 8.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.054 -11.875 9.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.143 -12.130 7.445 1.00 0.00 H new ATOM 556 N ASP A 34 9.522 -8.401 4.091 1.00 0.00 N ATOM 557 CA ASP A 34 10.338 -9.279 3.240 1.00 0.00 C ATOM 558 C ASP A 34 11.661 -8.611 2.840 1.00 0.00 C ATOM 559 O ASP A 34 12.745 -9.156 3.062 1.00 0.00 O ATOM 560 CB ASP A 34 9.553 -9.642 1.964 1.00 0.00 C ATOM 561 CG ASP A 34 9.292 -11.153 1.839 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.269 -11.939 1.880 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.118 -11.565 1.674 1.00 0.00 O ATOM 0 H ASP A 34 8.722 -8.013 3.591 1.00 0.00 H new ATOM 0 HA ASP A 34 10.566 -10.177 3.814 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.601 -9.112 1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.108 -9.300 1.091 1.00 0.00 H new ATOM 568 N THR A 35 11.556 -7.422 2.240 1.00 0.00 N ATOM 569 CA THR A 35 12.685 -6.637 1.707 1.00 0.00 C ATOM 570 C THR A 35 12.602 -5.169 2.103 1.00 0.00 C ATOM 571 O THR A 35 13.610 -4.459 2.080 1.00 0.00 O ATOM 572 CB THR A 35 12.742 -6.697 0.173 1.00 0.00 C ATOM 573 OG1 THR A 35 11.541 -6.194 -0.374 1.00 0.00 O ATOM 574 CG2 THR A 35 12.976 -8.102 -0.380 1.00 0.00 C ATOM 0 H THR A 35 10.657 -6.960 2.105 1.00 0.00 H new ATOM 0 HA THR A 35 13.580 -7.086 2.138 1.00 0.00 H new ATOM 0 HB THR A 35 13.597 -6.086 -0.117 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.585 -6.234 -1.352 1.00 0.00 H new ATOM 0 HG21 THR A 35 13.004 -8.064 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.925 -8.487 -0.006 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.167 -8.758 -0.060 1.00 0.00 H new ATOM 582 N GLY A 36 11.402 -4.699 2.456 1.00 0.00 N ATOM 583 CA GLY A 36 11.113 -3.290 2.678 1.00 0.00 C ATOM 584 C GLY A 36 10.775 -2.534 1.391 1.00 0.00 C ATOM 585 O GLY A 36 10.321 -1.401 1.460 1.00 0.00 O ATOM 0 H GLY A 36 10.593 -5.304 2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.278 -3.202 3.373 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.974 -2.819 3.153 1.00 0.00 H new ATOM 589 N ASN A 37 10.975 -3.121 0.217 1.00 0.00 N ATOM 590 CA ASN A 37 10.843 -2.408 -1.051 1.00 0.00 C ATOM 591 C ASN A 37 9.405 -1.935 -1.336 1.00 0.00 C ATOM 592 O ASN A 37 8.426 -2.501 -0.848 1.00 0.00 O ATOM 593 CB ASN A 37 11.334 -3.347 -2.166 1.00 0.00 C ATOM 594 CG ASN A 37 12.833 -3.610 -2.148 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.631 -2.883 -1.572 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.274 -4.658 -2.808 1.00 0.00 N ATOM 0 H ASN A 37 11.233 -4.103 0.116 1.00 0.00 H new ATOM 0 HA ASN A 37 11.444 -1.500 -1.003 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.809 -4.298 -2.081 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.064 -2.919 -3.131 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.274 -4.859 -2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.617 -5.270 -3.291 1.00 0.00 H new ATOM 603 N ASP A 38 9.276 -0.891 -2.153 1.00 0.00 N ATOM 604 CA ASP A 38 8.001 -0.465 -2.736 1.00 0.00 C ATOM 605 C ASP A 38 7.659 -1.403 -3.921 1.00 0.00 C ATOM 606 O ASP A 38 8.555 -1.709 -4.712 1.00 0.00 O ATOM 607 CB ASP A 38 8.099 0.966 -3.248 1.00 0.00 C ATOM 608 CG ASP A 38 8.225 1.973 -2.109 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.262 2.123 -1.318 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.273 2.645 -2.044 1.00 0.00 O ATOM 0 H ASP A 38 10.064 -0.308 -2.434 1.00 0.00 H new ATOM 0 HA ASP A 38 7.225 -0.512 -1.972 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.961 1.056 -3.909 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.216 1.200 -3.842 1.00 0.00 H new ATOM 615 N PRO A 39 6.412 -1.876 -4.094 1.00 0.00 N ATOM 616 CA PRO A 39 6.063 -2.938 -5.056 1.00 0.00 C ATOM 617 C PRO A 39 6.433 -2.740 -6.540 1.00 0.00 C ATOM 618 O PRO A 39 6.420 -3.726 -7.283 1.00 0.00 O ATOM 619 CB PRO A 39 4.548 -3.097 -4.934 1.00 0.00 C ATOM 620 CG PRO A 39 4.275 -2.691 -3.493 1.00 0.00 C ATOM 621 CD PRO A 39 5.262 -1.561 -3.255 1.00 0.00 C ATOM 0 HA PRO A 39 6.664 -3.807 -4.787 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.017 -2.459 -5.640 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.233 -4.122 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.245 -2.361 -3.356 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.438 -3.520 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.830 -0.597 -3.525 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.546 -1.500 -2.204 1.00 0.00 H new ATOM 629 N ILE A 40 6.732 -1.517 -7.005 1.00 0.00 N ATOM 630 CA ILE A 40 6.939 -1.200 -8.436 1.00 0.00 C ATOM 631 C ILE A 40 8.277 -0.496 -8.675 1.00 0.00 C ATOM 632 O ILE A 40 9.015 -0.876 -9.585 1.00 0.00 O ATOM 633 CB ILE A 40 5.747 -0.386 -8.991 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.485 -1.273 -9.082 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.039 0.220 -10.378 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.195 -0.454 -9.031 1.00 0.00 C ATOM 0 H ILE A 40 6.839 -0.707 -6.394 1.00 0.00 H new ATOM 0 HA ILE A 40 6.983 -2.140 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 40 5.580 0.436 -8.294 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.512 -1.846 -10.009 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.489 -1.992 -8.263 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.169 0.781 -10.720 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.898 0.888 -10.310 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.257 -0.580 -11.086 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.337 -1.122 -9.098 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.152 0.099 -8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.176 0.247 -9.866 1.00 0.00 H new ATOM 648 N THR A 41 8.616 0.514 -7.863 1.00 0.00 N ATOM 649 CA THR A 41 9.907 1.218 -7.968 1.00 0.00 C ATOM 650 C THR A 41 11.044 0.461 -7.275 1.00 0.00 C ATOM 651 O THR A 41 12.213 0.785 -7.495 1.00 0.00 O ATOM 652 CB THR A 41 9.833 2.650 -7.425 1.00 0.00 C ATOM 653 OG1 THR A 41 9.093 2.670 -6.235 1.00 0.00 O ATOM 654 CG2 THR A 41 9.120 3.583 -8.404 1.00 0.00 C ATOM 0 H THR A 41 8.012 0.866 -7.121 1.00 0.00 H new ATOM 0 HA THR A 41 10.128 1.264 -9.034 1.00 0.00 H new ATOM 0 HB THR A 41 10.858 2.985 -7.267 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.523 3.467 -6.218 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.085 4.590 -7.988 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.661 3.600 -9.350 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.104 3.225 -8.573 1.00 0.00 H new ATOM 662 N ASN A 42 10.716 -0.547 -6.454 1.00 0.00 N ATOM 663 CA ASN A 42 11.587 -1.285 -5.551 1.00 0.00 C ATOM 664 C ASN A 42 12.548 -0.410 -4.730 1.00 0.00 C ATOM 665 O ASN A 42 13.639 -0.847 -4.355 1.00 0.00 O ATOM 666 CB ASN A 42 12.172 -2.509 -6.269 1.00 0.00 C ATOM 667 CG ASN A 42 13.241 -2.215 -7.314 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.041 -2.390 -8.509 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.422 -1.809 -6.907 1.00 0.00 N ATOM 0 H ASN A 42 9.756 -0.888 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 42 10.988 -1.694 -4.737 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.597 -3.178 -5.520 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.357 -3.048 -6.752 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.165 -1.642 -7.585 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.596 -1.661 -5.913 1.00 0.00 H new ATOM 676 N GLU A 43 12.128 0.822 -4.424 1.00 0.00 N ATOM 677 CA GLU A 43 12.905 1.683 -3.518 1.00 0.00 C ATOM 678 C GLU A 43 12.846 1.118 -2.082 1.00 0.00 C ATOM 679 O GLU A 43 11.771 0.689 -1.656 1.00 0.00 O ATOM 680 CB GLU A 43 12.424 3.142 -3.562 1.00 0.00 C ATOM 681 CG GLU A 43 12.623 3.800 -4.937 1.00 0.00 C ATOM 682 CD GLU A 43 13.380 5.136 -4.824 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.634 5.123 -4.832 1.00 0.00 O ATOM 684 OE2 GLU A 43 12.733 6.207 -4.726 1.00 0.00 O ATOM 0 H GLU A 43 11.270 1.242 -4.782 1.00 0.00 H new ATOM 0 HA GLU A 43 13.942 1.685 -3.855 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.367 3.178 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.961 3.718 -2.809 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.175 3.123 -5.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.652 3.970 -5.403 1.00 0.00 H new ATOM 691 N PRO A 44 13.968 1.055 -1.339 1.00 0.00 N ATOM 692 CA PRO A 44 14.021 0.374 -0.045 1.00 0.00 C ATOM 693 C PRO A 44 13.253 1.138 1.047 1.00 0.00 C ATOM 694 O PRO A 44 13.406 2.355 1.189 1.00 0.00 O ATOM 695 CB PRO A 44 15.514 0.244 0.281 1.00 0.00 C ATOM 696 CG PRO A 44 16.152 1.417 -0.460 1.00 0.00 C ATOM 697 CD PRO A 44 15.291 1.539 -1.714 1.00 0.00 C ATOM 0 HA PRO A 44 13.535 -0.601 -0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.696 0.302 1.354 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.916 -0.710 -0.059 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.130 2.330 0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.196 1.220 -0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.246 2.572 -2.058 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.706 0.949 -2.531 1.00 0.00 H new ATOM 705 N LEU A 45 12.472 0.394 1.844 1.00 0.00 N ATOM 706 CA LEU A 45 11.518 0.860 2.869 1.00 0.00 C ATOM 707 C LEU A 45 10.281 1.540 2.232 1.00 0.00 C ATOM 708 O LEU A 45 10.359 2.171 1.182 1.00 0.00 O ATOM 709 CB LEU A 45 12.181 1.667 4.010 1.00 0.00 C ATOM 710 CG LEU A 45 13.136 0.849 4.911 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.518 0.604 4.298 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.354 1.587 6.232 1.00 0.00 C ATOM 0 H LEU A 45 12.490 -0.624 1.787 1.00 0.00 H new ATOM 0 HA LEU A 45 11.138 -0.027 3.375 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.737 2.497 3.574 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.398 2.100 4.633 1.00 0.00 H new ATOM 0 HG LEU A 45 12.651 -0.118 5.046 1.00 0.00 H new ATOM 0 HD11 LEU A 45 15.126 0.024 4.992 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.409 0.053 3.364 1.00 0.00 H new ATOM 0 HD13 LEU A 45 15.003 1.560 4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 45 14.027 1.009 6.865 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.793 2.565 6.034 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.398 1.714 6.740 1.00 0.00 H new ATOM 724 N SER A 46 9.124 1.406 2.883 1.00 0.00 N ATOM 725 CA SER A 46 7.787 1.769 2.379 1.00 0.00 C ATOM 726 C SER A 46 6.899 2.263 3.518 1.00 0.00 C ATOM 727 O SER A 46 6.313 3.340 3.461 1.00 0.00 O ATOM 728 CB SER A 46 7.133 0.570 1.687 1.00 0.00 C ATOM 729 OG SER A 46 6.138 1.005 0.786 1.00 0.00 O ATOM 0 H SER A 46 9.086 1.021 3.827 1.00 0.00 H new ATOM 0 HA SER A 46 7.903 2.574 1.653 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.889 -0.007 1.154 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.693 -0.093 2.432 1.00 0.00 H new ATOM 0 HG SER A 46 6.562 1.421 0.007 1.00 0.00 H new ATOM 735 N ILE A 47 6.878 1.494 4.610 1.00 0.00 N ATOM 736 CA ILE A 47 6.210 1.779 5.885 1.00 0.00 C ATOM 737 C ILE A 47 6.632 3.093 6.559 1.00 0.00 C ATOM 738 O ILE A 47 5.805 3.780 7.151 1.00 0.00 O ATOM 739 CB ILE A 47 6.366 0.548 6.817 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.404 0.541 8.021 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.812 0.380 7.322 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.961 0.271 7.590 1.00 0.00 C ATOM 0 H ILE A 47 7.359 0.595 4.629 1.00 0.00 H new ATOM 0 HA ILE A 47 5.155 1.947 5.668 1.00 0.00 H new ATOM 0 HB ILE A 47 6.100 -0.298 6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.719 -0.220 8.734 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.457 1.501 8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.872 -0.494 7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.481 0.248 6.472 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.107 1.268 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.313 0.274 8.466 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.637 1.047 6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.904 -0.701 7.099 1.00 0.00 H new ATOM 754 N GLU A 48 7.882 3.510 6.371 1.00 0.00 N ATOM 755 CA GLU A 48 8.406 4.812 6.797 1.00 0.00 C ATOM 756 C GLU A 48 7.788 5.977 5.997 1.00 0.00 C ATOM 757 O GLU A 48 8.000 7.146 6.324 1.00 0.00 O ATOM 758 CB GLU A 48 9.940 4.830 6.658 1.00 0.00 C ATOM 759 CG GLU A 48 10.662 3.878 7.622 1.00 0.00 C ATOM 760 CD GLU A 48 10.477 4.293 9.096 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.177 5.227 9.559 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.642 3.686 9.807 1.00 0.00 O ATOM 0 H GLU A 48 8.583 2.935 5.903 1.00 0.00 H new ATOM 0 HA GLU A 48 8.130 4.952 7.842 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.206 4.566 5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.299 5.845 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.284 2.865 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.725 3.858 7.382 1.00 0.00 H new ATOM 769 N GLU A 49 6.999 5.661 4.963 1.00 0.00 N ATOM 770 CA GLU A 49 6.340 6.618 4.067 1.00 0.00 C ATOM 771 C GLU A 49 4.848 6.300 3.846 1.00 0.00 C ATOM 772 O GLU A 49 4.187 6.906 2.999 1.00 0.00 O ATOM 773 CB GLU A 49 7.129 6.671 2.743 1.00 0.00 C ATOM 774 CG GLU A 49 7.054 8.018 2.009 1.00 0.00 C ATOM 775 CD GLU A 49 7.804 9.135 2.763 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.052 9.222 2.642 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.150 9.954 3.455 1.00 0.00 O ATOM 0 H GLU A 49 6.794 4.692 4.718 1.00 0.00 H new ATOM 0 HA GLU A 49 6.349 7.603 4.534 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.175 6.442 2.949 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.756 5.890 2.081 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.476 7.909 1.010 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.010 8.304 1.884 1.00 0.00 H new ATOM 784 N ILE A 50 4.301 5.345 4.608 1.00 0.00 N ATOM 785 CA ILE A 50 2.926 4.863 4.447 1.00 0.00 C ATOM 786 C ILE A 50 1.873 5.967 4.640 1.00 0.00 C ATOM 787 O ILE A 50 1.914 6.775 5.573 1.00 0.00 O ATOM 788 CB ILE A 50 2.646 3.638 5.344 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.356 2.922 4.890 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.567 3.998 6.843 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.236 1.496 5.438 1.00 0.00 C ATOM 0 H ILE A 50 4.807 4.881 5.362 1.00 0.00 H new ATOM 0 HA ILE A 50 2.835 4.541 3.410 1.00 0.00 H new ATOM 0 HB ILE A 50 3.493 2.962 5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.492 3.503 5.213 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.329 2.890 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.368 3.097 7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.513 4.434 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.764 4.717 7.003 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.308 1.047 5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.082 0.901 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.232 1.524 6.528 1.00 0.00 H new ATOM 803 N VAL A 51 0.891 5.938 3.748 1.00 0.00 N ATOM 804 CA VAL A 51 -0.359 6.708 3.773 1.00 0.00 C ATOM 805 C VAL A 51 -1.535 5.728 3.803 1.00 0.00 C ATOM 806 O VAL A 51 -1.921 5.163 2.780 1.00 0.00 O ATOM 807 CB VAL A 51 -0.440 7.694 2.585 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.705 8.558 2.676 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.760 8.647 2.535 1.00 0.00 C ATOM 0 H VAL A 51 0.945 5.335 2.927 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.395 7.325 4.671 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.452 7.076 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.739 9.243 1.829 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.586 7.916 2.659 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.690 9.129 3.604 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.656 9.319 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.800 9.231 3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.679 8.070 2.431 1.00 0.00 H new ATOM 819 N GLU A 52 -2.086 5.456 4.984 1.00 0.00 N ATOM 820 CA GLU A 52 -3.291 4.623 5.118 1.00 0.00 C ATOM 821 C GLU A 52 -4.536 5.437 4.711 1.00 0.00 C ATOM 822 O GLU A 52 -4.775 6.526 5.243 1.00 0.00 O ATOM 823 CB GLU A 52 -3.440 4.047 6.539 1.00 0.00 C ATOM 824 CG GLU A 52 -2.155 3.484 7.170 1.00 0.00 C ATOM 825 CD GLU A 52 -2.411 3.079 8.635 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.066 2.036 8.874 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.953 3.790 9.560 1.00 0.00 O ATOM 0 H GLU A 52 -1.718 5.801 5.871 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.191 3.770 4.446 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.829 4.830 7.190 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.187 3.254 6.513 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.811 2.620 6.602 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.362 4.231 7.125 1.00 0.00 H new ATOM 834 N ILE A 53 -5.316 4.939 3.748 1.00 0.00 N ATOM 835 CA ILE A 53 -6.465 5.640 3.155 1.00 0.00 C ATOM 836 C ILE A 53 -7.702 5.472 4.054 1.00 0.00 C ATOM 837 O ILE A 53 -8.465 4.512 3.930 1.00 0.00 O ATOM 838 CB ILE A 53 -6.722 5.160 1.704 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.464 5.188 0.799 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.858 5.964 1.045 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.804 6.561 0.628 1.00 0.00 C ATOM 0 H ILE A 53 -5.165 4.014 3.347 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.241 6.705 3.094 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.017 4.115 1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.727 4.499 1.210 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.738 4.811 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.015 5.605 0.028 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.775 5.837 1.621 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.589 7.020 1.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.934 6.468 -0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.517 7.255 0.183 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.490 6.938 1.602 1.00 0.00 H new ATOM 853 N VAL A 54 -7.893 6.404 4.992 1.00 0.00 N ATOM 854 CA VAL A 54 -9.062 6.481 5.888 1.00 0.00 C ATOM 855 C VAL A 54 -10.350 6.694 5.063 1.00 0.00 C ATOM 856 O VAL A 54 -10.458 7.718 4.378 1.00 0.00 O ATOM 857 CB VAL A 54 -8.881 7.600 6.937 1.00 0.00 C ATOM 858 CG1 VAL A 54 -10.096 7.714 7.870 1.00 0.00 C ATOM 859 CG2 VAL A 54 -7.654 7.335 7.820 1.00 0.00 C ATOM 0 H VAL A 54 -7.220 7.152 5.158 1.00 0.00 H new ATOM 0 HA VAL A 54 -9.150 5.537 6.427 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.759 8.524 6.372 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -9.927 8.513 8.592 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -10.986 7.939 7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.239 6.771 8.399 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -7.550 8.138 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -7.779 6.386 8.341 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -6.760 7.293 7.198 1.00 0.00 H new ATOM 869 N PRO A 55 -11.328 5.763 5.086 1.00 0.00 N ATOM 870 CA PRO A 55 -12.523 5.834 4.234 1.00 0.00 C ATOM 871 C PRO A 55 -13.571 6.866 4.696 1.00 0.00 C ATOM 872 O PRO A 55 -14.444 7.240 3.909 1.00 0.00 O ATOM 873 CB PRO A 55 -13.100 4.413 4.251 1.00 0.00 C ATOM 874 CG PRO A 55 -12.713 3.897 5.635 1.00 0.00 C ATOM 875 CD PRO A 55 -11.335 4.522 5.855 1.00 0.00 C ATOM 0 HA PRO A 55 -12.251 6.176 3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -14.181 4.415 4.110 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.676 3.797 3.458 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.426 4.210 6.398 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -12.673 2.808 5.664 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -11.160 4.718 6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.544 3.851 5.520 1.00 0.00 H new ATOM 883 N SER A 56 -13.488 7.349 5.944 1.00 0.00 N ATOM 884 CA SER A 56 -14.413 8.300 6.584 1.00 0.00 C ATOM 885 C SER A 56 -15.895 8.012 6.301 1.00 0.00 C ATOM 886 O SER A 56 -16.451 7.017 6.790 1.00 0.00 O ATOM 887 CB SER A 56 -14.059 9.734 6.174 1.00 0.00 C ATOM 888 OG SER A 56 -14.876 10.652 6.883 1.00 0.00 O ATOM 0 H SER A 56 -12.732 7.072 6.570 1.00 0.00 H new ATOM 0 HA SER A 56 -14.284 8.176 7.659 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.008 9.933 6.382 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.201 9.861 5.101 1.00 0.00 H new ATOM 0 HG SER A 56 -14.645 11.567 6.619 1.00 0.00 H new TER 894 SER A 56