USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -22:sc= 1.27 USER MOD Set 1.2: A 57 SER OG : rot -86:sc= 0.802 USER MOD Set 2.1: A 25 ASN : amide:sc= 0.105 K(o=0.63,f=-5.4!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 164:sc= 0.522 (180deg=0.413) USER MOD Set 3.1: A 7 THR OG1 : rot 180:sc= -0.0432 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.07 (180deg=1.89) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 1.2 (180deg=0.936) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -74:sc= 0.204 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0382 USER MOD Single : A 22 THR OG1 : rot 46:sc= -0.0353 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.58 (180deg=0.397) USER MOD Single : A 31 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0484) USER MOD Single : A 40 GLN : amide:sc= -0.0927 K(o=-0.093,f=-0.64) USER MOD Single : A 41 GLN : amide:sc= 1.11 K(o=1.1,f=-2.6!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.0682 K(o=0.068,f=-1.3) USER MOD Single : A 59 TYR OH : rot -154:sc= 0.878 USER MOD Single : A 60 ASN : amide:sc= -0.0675 K(o=-0.068,f=-1) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00114 X(o=-0.0011,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.805 51.980 19.873 1.00 0.00 N ATOM 2 CA MET A 1 33.068 52.348 21.273 1.00 0.00 C ATOM 3 C MET A 1 34.563 52.596 21.486 1.00 0.00 C ATOM 4 O MET A 1 35.379 52.077 20.728 1.00 0.00 O ATOM 5 CB MET A 1 32.519 51.319 22.256 1.00 0.00 C ATOM 6 CG MET A 1 33.206 49.957 22.220 1.00 0.00 C ATOM 7 SD MET A 1 32.588 48.809 23.475 1.00 0.00 S ATOM 8 CE MET A 1 33.767 47.452 23.265 1.00 0.00 C ATOM 0 H1 MET A 1 31.779 51.964 19.705 1.00 0.00 H new ATOM 0 H2 MET A 1 33.248 52.678 19.242 1.00 0.00 H new ATOM 0 H3 MET A 1 33.202 51.038 19.681 1.00 0.00 H new ATOM 0 HA MET A 1 32.535 53.276 21.477 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.601 51.723 23.265 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.457 51.178 22.055 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.068 49.514 21.234 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.278 50.095 22.360 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.530 46.653 23.967 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.705 47.070 22.246 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.777 47.815 23.455 1.00 0.00 H new ATOM 20 N GLN A 2 34.923 53.339 22.530 1.00 0.00 N ATOM 21 CA GLN A 2 36.305 53.578 22.891 1.00 0.00 C ATOM 22 C GLN A 2 36.838 52.573 23.914 1.00 0.00 C ATOM 23 O GLN A 2 36.119 52.182 24.831 1.00 0.00 O ATOM 24 CB GLN A 2 36.512 55.002 23.400 1.00 0.00 C ATOM 25 CG GLN A 2 36.285 56.048 22.313 1.00 0.00 C ATOM 26 CD GLN A 2 36.895 57.405 22.670 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.969 57.816 23.826 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.371 58.144 21.671 1.00 0.00 N ATOM 0 H GLN A 2 34.252 53.793 23.150 1.00 0.00 H new ATOM 0 HA GLN A 2 36.878 53.443 21.974 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.831 55.191 24.230 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.525 55.102 23.790 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.717 55.694 21.377 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.215 56.167 22.146 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.310 57.804 20.711 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.797 59.050 21.865 1.00 0.00 H new ATOM 37 N ILE A 3 38.118 52.232 23.799 1.00 0.00 N ATOM 38 CA ILE A 3 38.927 51.586 24.812 1.00 0.00 C ATOM 39 C ILE A 3 40.296 52.262 24.910 1.00 0.00 C ATOM 40 O ILE A 3 40.675 53.029 24.027 1.00 0.00 O ATOM 41 CB ILE A 3 39.064 50.085 24.574 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.732 49.766 23.240 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.720 49.377 24.718 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.157 48.310 23.083 1.00 0.00 C ATOM 0 H ILE A 3 38.643 52.412 22.944 1.00 0.00 H new ATOM 0 HA ILE A 3 38.413 51.702 25.766 1.00 0.00 H new ATOM 0 HB ILE A 3 39.726 49.699 25.349 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.045 50.021 22.433 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.609 50.403 23.125 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.851 48.309 24.543 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.332 49.535 25.724 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.016 49.781 23.990 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.623 48.170 22.107 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.870 48.053 23.866 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.282 47.665 23.163 1.00 0.00 H new ATOM 56 N PHE A 4 41.070 51.952 25.945 1.00 0.00 N ATOM 57 CA PHE A 4 42.427 52.424 26.127 1.00 0.00 C ATOM 58 C PHE A 4 43.420 51.265 26.240 1.00 0.00 C ATOM 59 O PHE A 4 43.117 50.242 26.849 1.00 0.00 O ATOM 60 CB PHE A 4 42.527 53.307 27.369 1.00 0.00 C ATOM 61 CG PHE A 4 41.482 54.392 27.463 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.520 55.485 26.590 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.468 54.300 28.425 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.538 56.479 26.673 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.498 55.306 28.518 1.00 0.00 C ATOM 66 CZ PHE A 4 39.525 56.391 27.634 1.00 0.00 C ATOM 0 H PHE A 4 40.754 51.345 26.702 1.00 0.00 H new ATOM 0 HA PHE A 4 42.685 53.009 25.244 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.454 52.674 28.254 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.514 53.770 27.389 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.306 55.562 25.853 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.434 53.454 29.095 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.562 57.317 25.992 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.728 55.245 29.273 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.767 57.158 27.694 1.00 0.00 H new ATOM 76 N VAL A 5 44.628 51.454 25.717 1.00 0.00 N ATOM 77 CA VAL A 5 45.760 50.579 25.950 1.00 0.00 C ATOM 78 C VAL A 5 46.899 51.336 26.634 1.00 0.00 C ATOM 79 O VAL A 5 47.291 52.411 26.182 1.00 0.00 O ATOM 80 CB VAL A 5 46.208 49.842 24.691 1.00 0.00 C ATOM 81 CG1 VAL A 5 45.061 49.041 24.080 1.00 0.00 C ATOM 82 CG2 VAL A 5 46.775 50.729 23.587 1.00 0.00 C ATOM 0 H VAL A 5 44.846 52.241 25.105 1.00 0.00 H new ATOM 0 HA VAL A 5 45.433 49.796 26.634 1.00 0.00 H new ATOM 0 HB VAL A 5 47.012 49.198 25.048 1.00 0.00 H new ATOM 0 HG11 VAL A 5 45.412 48.528 23.185 1.00 0.00 H new ATOM 0 HG12 VAL A 5 44.704 48.307 24.803 1.00 0.00 H new ATOM 0 HG13 VAL A 5 44.247 49.715 23.816 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.064 50.111 22.737 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.018 51.448 23.273 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.649 51.262 23.962 1.00 0.00 H new ATOM 92 N LYS A 6 47.427 50.779 27.719 1.00 0.00 N ATOM 93 CA LYS A 6 48.518 51.308 28.513 1.00 0.00 C ATOM 94 C LYS A 6 49.745 50.400 28.422 1.00 0.00 C ATOM 95 O LYS A 6 49.585 49.181 28.414 1.00 0.00 O ATOM 96 CB LYS A 6 48.033 51.485 29.950 1.00 0.00 C ATOM 97 CG LYS A 6 48.998 52.297 30.809 1.00 0.00 C ATOM 98 CD LYS A 6 48.482 52.452 32.236 1.00 0.00 C ATOM 99 CE LYS A 6 49.373 53.417 33.011 1.00 0.00 C ATOM 100 NZ LYS A 6 49.000 53.473 34.433 1.00 0.00 N ATOM 0 H LYS A 6 47.080 49.893 28.085 1.00 0.00 H new ATOM 0 HA LYS A 6 48.827 52.280 28.128 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.061 51.977 29.941 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.890 50.504 30.403 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.972 51.808 30.824 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.142 53.282 30.364 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.457 52.822 32.223 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.464 51.482 32.733 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.414 53.106 32.919 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.298 54.413 32.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.626 54.138 34.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 48.014 53.793 34.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.096 52.527 34.855 1.00 0.00 H new ATOM 114 N THR A 7 50.947 50.964 28.358 1.00 0.00 N ATOM 115 CA THR A 7 52.190 50.239 28.188 1.00 0.00 C ATOM 116 C THR A 7 53.189 50.484 29.321 1.00 0.00 C ATOM 117 O THR A 7 53.143 51.508 30.000 1.00 0.00 O ATOM 118 CB THR A 7 52.806 50.532 26.822 1.00 0.00 C ATOM 119 OG1 THR A 7 54.093 49.971 26.694 1.00 0.00 O ATOM 120 CG2 THR A 7 52.954 52.023 26.532 1.00 0.00 C ATOM 0 H THR A 7 51.081 51.973 28.426 1.00 0.00 H new ATOM 0 HA THR A 7 51.943 49.178 28.234 1.00 0.00 H new ATOM 0 HB THR A 7 52.107 50.086 26.115 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.454 50.178 25.807 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.398 52.160 25.546 1.00 0.00 H new ATOM 0 HG22 THR A 7 51.973 52.498 26.557 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.597 52.478 27.285 1.00 0.00 H new ATOM 128 N LEU A 8 54.141 49.574 29.500 1.00 0.00 N ATOM 129 CA LEU A 8 55.264 49.687 30.409 1.00 0.00 C ATOM 130 C LEU A 8 56.198 50.858 30.098 1.00 0.00 C ATOM 131 O LEU A 8 56.907 51.322 30.989 1.00 0.00 O ATOM 132 CB LEU A 8 56.049 48.379 30.383 1.00 0.00 C ATOM 133 CG LEU A 8 55.280 47.127 30.797 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.193 45.909 30.688 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.767 47.203 32.231 1.00 0.00 C ATOM 0 H LEU A 8 54.145 48.693 28.985 1.00 0.00 H new ATOM 0 HA LEU A 8 54.855 49.885 31.400 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.432 48.229 29.374 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.913 48.484 31.039 1.00 0.00 H new ATOM 0 HG LEU A 8 54.423 47.047 30.128 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.644 45.015 30.984 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.534 45.801 29.658 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.054 46.040 31.344 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.228 46.287 32.473 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.609 47.320 32.913 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.097 48.057 32.333 1.00 0.00 H new ATOM 147 N THR A 9 56.166 51.392 28.881 1.00 0.00 N ATOM 148 CA THR A 9 56.860 52.604 28.495 1.00 0.00 C ATOM 149 C THR A 9 56.084 53.883 28.817 1.00 0.00 C ATOM 150 O THR A 9 56.498 54.981 28.450 1.00 0.00 O ATOM 151 CB THR A 9 57.312 52.571 27.037 1.00 0.00 C ATOM 152 OG1 THR A 9 56.197 52.548 26.174 1.00 0.00 O ATOM 153 CG2 THR A 9 58.166 51.354 26.696 1.00 0.00 C ATOM 0 H THR A 9 55.637 50.975 28.115 1.00 0.00 H new ATOM 0 HA THR A 9 57.756 52.633 29.116 1.00 0.00 H new ATOM 0 HB THR A 9 57.911 53.472 26.901 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.504 52.529 25.243 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.453 51.394 25.645 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.062 51.353 27.317 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.594 50.445 26.882 1.00 0.00 H new ATOM 161 N GLY A 10 54.962 53.785 29.523 1.00 0.00 N ATOM 162 CA GLY A 10 54.245 54.901 30.109 1.00 0.00 C ATOM 163 C GLY A 10 53.341 55.700 29.169 1.00 0.00 C ATOM 164 O GLY A 10 52.731 56.664 29.625 1.00 0.00 O ATOM 0 H GLY A 10 54.513 52.888 29.707 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.635 54.522 30.929 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.974 55.585 30.544 1.00 0.00 H new ATOM 168 N LYS A 11 53.204 55.321 27.902 1.00 0.00 N ATOM 169 CA LYS A 11 52.163 55.820 27.026 1.00 0.00 C ATOM 170 C LYS A 11 50.798 55.226 27.381 1.00 0.00 C ATOM 171 O LYS A 11 50.714 54.108 27.885 1.00 0.00 O ATOM 172 CB LYS A 11 52.501 55.558 25.562 1.00 0.00 C ATOM 173 CG LYS A 11 53.596 56.473 25.021 1.00 0.00 C ATOM 174 CD LYS A 11 53.945 56.121 23.578 1.00 0.00 C ATOM 175 CE LYS A 11 54.979 57.098 23.025 1.00 0.00 C ATOM 176 NZ LYS A 11 55.522 56.649 21.733 1.00 0.00 N ATOM 0 H LYS A 11 53.825 54.648 27.453 1.00 0.00 H new ATOM 0 HA LYS A 11 52.106 56.898 27.173 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.816 54.521 25.449 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.601 55.685 24.960 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.267 57.511 25.076 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.486 56.388 25.645 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.334 55.104 23.529 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.045 56.148 22.963 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.522 58.081 22.905 1.00 0.00 H new ATOM 0 HE3 LYS A 11 55.793 57.210 23.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.958 57.455 21.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 56.239 55.913 21.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.753 56.262 21.149 1.00 0.00 H new ATOM 190 N THR A 12 49.737 55.958 27.051 1.00 0.00 N ATOM 191 CA THR A 12 48.381 55.454 26.956 1.00 0.00 C ATOM 192 C THR A 12 47.772 55.911 25.629 1.00 0.00 C ATOM 193 O THR A 12 47.837 57.093 25.300 1.00 0.00 O ATOM 194 CB THR A 12 47.511 55.907 28.125 1.00 0.00 C ATOM 195 OG1 THR A 12 48.041 55.505 29.368 1.00 0.00 O ATOM 196 CG2 THR A 12 46.111 55.305 28.059 1.00 0.00 C ATOM 0 H THR A 12 49.807 56.953 26.836 1.00 0.00 H new ATOM 0 HA THR A 12 48.419 54.365 26.997 1.00 0.00 H new ATOM 0 HB THR A 12 47.480 56.994 28.044 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.455 55.816 30.089 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.525 55.653 28.909 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.626 55.613 27.133 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.181 54.218 28.087 1.00 0.00 H new ATOM 204 N ILE A 13 47.168 55.000 24.872 1.00 0.00 N ATOM 205 CA ILE A 13 46.619 55.229 23.552 1.00 0.00 C ATOM 206 C ILE A 13 45.126 54.892 23.541 1.00 0.00 C ATOM 207 O ILE A 13 44.717 53.879 24.106 1.00 0.00 O ATOM 208 CB ILE A 13 47.392 54.432 22.505 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.899 54.676 22.508 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.840 54.644 21.098 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.356 56.089 22.155 1.00 0.00 C ATOM 0 H ILE A 13 47.045 54.037 25.184 1.00 0.00 H new ATOM 0 HA ILE A 13 46.724 56.283 23.296 1.00 0.00 H new ATOM 0 HB ILE A 13 47.242 53.394 22.801 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.284 54.429 23.498 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.359 53.982 21.805 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.421 54.057 20.387 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.798 54.326 21.064 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.906 55.700 20.837 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.444 56.139 22.191 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.014 56.342 21.152 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.937 56.796 22.871 1.00 0.00 H new ATOM 223 N THR A 14 44.315 55.711 22.879 1.00 0.00 N ATOM 224 CA THR A 14 42.890 55.508 22.722 1.00 0.00 C ATOM 225 C THR A 14 42.582 54.781 21.412 1.00 0.00 C ATOM 226 O THR A 14 43.113 55.148 20.365 1.00 0.00 O ATOM 227 CB THR A 14 42.127 56.829 22.772 1.00 0.00 C ATOM 228 OG1 THR A 14 42.479 57.565 23.922 1.00 0.00 O ATOM 229 CG2 THR A 14 40.616 56.618 22.833 1.00 0.00 C ATOM 0 H THR A 14 44.649 56.561 22.424 1.00 0.00 H new ATOM 0 HA THR A 14 42.560 54.889 23.556 1.00 0.00 H new ATOM 0 HB THR A 14 42.393 57.363 21.860 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.060 57.161 24.710 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.115 57.585 22.867 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.289 56.071 21.949 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.364 56.047 23.727 1.00 0.00 H new ATOM 237 N LEU A 15 41.712 53.776 21.455 1.00 0.00 N ATOM 238 CA LEU A 15 41.348 52.934 20.334 1.00 0.00 C ATOM 239 C LEU A 15 39.837 52.910 20.101 1.00 0.00 C ATOM 240 O LEU A 15 39.063 52.868 21.055 1.00 0.00 O ATOM 241 CB LEU A 15 41.897 51.529 20.565 1.00 0.00 C ATOM 242 CG LEU A 15 42.826 51.027 19.462 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.165 51.757 19.444 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.105 49.543 19.677 1.00 0.00 C ATOM 0 H LEU A 15 41.223 53.520 22.313 1.00 0.00 H new ATOM 0 HA LEU A 15 41.790 53.350 19.429 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.436 51.514 21.512 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.061 50.837 20.663 1.00 0.00 H new ATOM 0 HG LEU A 15 42.322 51.211 18.513 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.785 51.360 18.640 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.997 52.821 19.280 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.671 51.612 20.398 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.768 49.180 18.892 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.579 49.399 20.648 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.167 48.988 19.645 1.00 0.00 H new ATOM 256 N GLU A 16 39.420 52.872 18.839 1.00 0.00 N ATOM 257 CA GLU A 16 38.037 52.767 18.419 1.00 0.00 C ATOM 258 C GLU A 16 37.742 51.360 17.897 1.00 0.00 C ATOM 259 O GLU A 16 38.366 50.886 16.951 1.00 0.00 O ATOM 260 CB GLU A 16 37.731 53.872 17.412 1.00 0.00 C ATOM 261 CG GLU A 16 36.365 53.819 16.733 1.00 0.00 C ATOM 262 CD GLU A 16 35.182 54.037 17.678 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.309 53.147 17.766 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.097 55.120 18.296 1.00 0.00 O ATOM 0 H GLU A 16 40.068 52.916 18.053 1.00 0.00 H new ATOM 0 HA GLU A 16 37.368 52.914 19.267 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.821 54.831 17.921 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.498 53.849 16.637 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.333 54.576 15.949 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.252 52.850 16.246 1.00 0.00 H new ATOM 271 N VAL A 17 36.808 50.678 18.555 1.00 0.00 N ATOM 272 CA VAL A 17 36.513 49.270 18.384 1.00 0.00 C ATOM 273 C VAL A 17 35.010 48.982 18.411 1.00 0.00 C ATOM 274 O VAL A 17 34.229 49.740 18.980 1.00 0.00 O ATOM 275 CB VAL A 17 37.215 48.420 19.439 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.735 48.489 19.325 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.810 48.778 20.866 1.00 0.00 C ATOM 0 H VAL A 17 36.211 51.120 19.254 1.00 0.00 H new ATOM 0 HA VAL A 17 36.892 49.000 17.398 1.00 0.00 H new ATOM 0 HB VAL A 17 36.886 47.402 19.233 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.186 47.867 20.098 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.043 48.129 18.344 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.063 49.521 19.452 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.344 48.137 21.567 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.059 49.820 21.064 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.737 48.632 20.987 1.00 0.00 H new ATOM 287 N GLU A 18 34.613 47.836 17.862 1.00 0.00 N ATOM 288 CA GLU A 18 33.331 47.212 18.117 1.00 0.00 C ATOM 289 C GLU A 18 33.520 45.929 18.931 1.00 0.00 C ATOM 290 O GLU A 18 34.568 45.299 18.814 1.00 0.00 O ATOM 291 CB GLU A 18 32.616 46.888 16.809 1.00 0.00 C ATOM 292 CG GLU A 18 32.337 48.082 15.900 1.00 0.00 C ATOM 293 CD GLU A 18 31.500 49.183 16.552 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.799 50.372 16.307 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.522 48.888 17.273 1.00 0.00 O ATOM 0 H GLU A 18 35.194 47.308 17.212 1.00 0.00 H new ATOM 0 HA GLU A 18 32.720 47.913 18.685 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.216 46.165 16.256 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.669 46.403 17.043 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.287 48.507 15.575 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.822 47.731 15.006 1.00 0.00 H new ATOM 302 N PRO A 19 32.525 45.451 19.672 1.00 0.00 N ATOM 303 CA PRO A 19 32.571 44.153 20.315 1.00 0.00 C ATOM 304 C PRO A 19 32.787 42.974 19.365 1.00 0.00 C ATOM 305 O PRO A 19 33.201 41.900 19.796 1.00 0.00 O ATOM 306 CB PRO A 19 31.261 44.018 21.085 1.00 0.00 C ATOM 307 CG PRO A 19 30.806 45.458 21.304 1.00 0.00 C ATOM 308 CD PRO A 19 31.306 46.147 20.037 1.00 0.00 C ATOM 0 HA PRO A 19 33.443 44.111 20.967 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.523 43.449 20.519 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.407 43.498 22.032 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.724 45.532 21.408 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.243 45.891 22.203 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.566 46.086 19.239 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.497 47.205 20.215 1.00 0.00 H new ATOM 316 N SER A 20 32.535 43.158 18.072 1.00 0.00 N ATOM 317 CA SER A 20 32.779 42.200 17.012 1.00 0.00 C ATOM 318 C SER A 20 34.209 42.187 16.466 1.00 0.00 C ATOM 319 O SER A 20 34.558 41.263 15.736 1.00 0.00 O ATOM 320 CB SER A 20 31.789 42.467 15.881 1.00 0.00 C ATOM 321 OG SER A 20 31.832 43.819 15.483 1.00 0.00 O ATOM 0 H SER A 20 32.134 44.028 17.723 1.00 0.00 H new ATOM 0 HA SER A 20 32.639 41.212 17.450 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.021 41.826 15.031 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.781 42.212 16.207 1.00 0.00 H new ATOM 0 HG SER A 20 31.191 43.967 14.756 1.00 0.00 H new ATOM 327 N ASP A 21 35.053 43.161 16.794 1.00 0.00 N ATOM 328 CA ASP A 21 36.399 43.237 16.263 1.00 0.00 C ATOM 329 C ASP A 21 37.293 42.145 16.853 1.00 0.00 C ATOM 330 O ASP A 21 37.193 41.801 18.029 1.00 0.00 O ATOM 331 CB ASP A 21 37.002 44.622 16.473 1.00 0.00 C ATOM 332 CG ASP A 21 36.377 45.749 15.647 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.704 45.480 14.629 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.596 46.933 15.982 1.00 0.00 O ATOM 0 H ASP A 21 34.817 43.918 17.436 1.00 0.00 H new ATOM 0 HA ASP A 21 36.338 43.066 15.188 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.916 44.879 17.529 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.066 44.574 16.242 1.00 0.00 H new ATOM 339 N THR A 22 38.190 41.585 16.045 1.00 0.00 N ATOM 340 CA THR A 22 39.140 40.582 16.480 1.00 0.00 C ATOM 341 C THR A 22 40.357 41.171 17.198 1.00 0.00 C ATOM 342 O THR A 22 40.776 42.292 16.918 1.00 0.00 O ATOM 343 CB THR A 22 39.515 39.610 15.366 1.00 0.00 C ATOM 344 OG1 THR A 22 40.480 38.703 15.850 1.00 0.00 O ATOM 345 CG2 THR A 22 40.121 40.240 14.115 1.00 0.00 C ATOM 0 H THR A 22 38.273 41.823 15.057 1.00 0.00 H new ATOM 0 HA THR A 22 38.622 39.990 17.235 1.00 0.00 H new ATOM 0 HB THR A 22 38.570 39.150 15.079 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.208 38.376 16.733 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.350 39.460 13.389 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.410 40.943 13.681 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.037 40.768 14.381 1.00 0.00 H new ATOM 353 N ILE A 23 40.978 40.414 18.097 1.00 0.00 N ATOM 354 CA ILE A 23 42.184 40.823 18.790 1.00 0.00 C ATOM 355 C ILE A 23 43.341 41.091 17.824 1.00 0.00 C ATOM 356 O ILE A 23 44.118 42.014 18.056 1.00 0.00 O ATOM 357 CB ILE A 23 42.529 39.810 19.876 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.449 39.711 20.949 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.886 40.064 20.527 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.109 40.998 21.696 1.00 0.00 C ATOM 0 H ILE A 23 40.649 39.487 18.365 1.00 0.00 H new ATOM 0 HA ILE A 23 41.998 41.778 19.281 1.00 0.00 H new ATOM 0 HB ILE A 23 42.585 38.854 19.355 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.538 39.337 20.482 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.762 38.965 21.680 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.070 39.308 21.291 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.668 40.013 19.770 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.890 41.052 20.986 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.329 40.797 22.431 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.999 41.370 22.204 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.756 41.747 20.988 1.00 0.00 H new ATOM 372 N GLU A 24 43.432 40.404 16.689 1.00 0.00 N ATOM 373 CA GLU A 24 44.429 40.731 15.691 1.00 0.00 C ATOM 374 C GLU A 24 44.136 42.023 14.927 1.00 0.00 C ATOM 375 O GLU A 24 45.051 42.609 14.352 1.00 0.00 O ATOM 376 CB GLU A 24 44.731 39.545 14.779 1.00 0.00 C ATOM 377 CG GLU A 24 43.611 39.145 13.823 1.00 0.00 C ATOM 378 CD GLU A 24 44.042 37.975 12.937 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.079 38.085 12.246 1.00 0.00 O ATOM 380 OE2 GLU A 24 43.359 36.930 12.922 1.00 0.00 O ATOM 0 H GLU A 24 42.827 39.621 16.444 1.00 0.00 H new ATOM 0 HA GLU A 24 45.347 40.944 16.240 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.619 39.778 14.192 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.977 38.685 15.401 1.00 0.00 H new ATOM 0 HG2 GLU A 24 42.723 38.868 14.392 1.00 0.00 H new ATOM 0 HG3 GLU A 24 43.337 39.997 13.200 1.00 0.00 H new ATOM 387 N ASN A 25 42.905 42.527 14.956 1.00 0.00 N ATOM 388 CA ASN A 25 42.542 43.846 14.480 1.00 0.00 C ATOM 389 C ASN A 25 42.858 44.924 15.519 1.00 0.00 C ATOM 390 O ASN A 25 43.400 45.966 15.160 1.00 0.00 O ATOM 391 CB ASN A 25 41.078 43.846 14.045 1.00 0.00 C ATOM 392 CG ASN A 25 40.613 45.233 13.598 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.972 45.968 14.346 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.967 45.641 12.383 1.00 0.00 N ATOM 0 H ASN A 25 42.110 42.005 15.325 1.00 0.00 H new ATOM 0 HA ASN A 25 43.147 44.095 13.608 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.943 43.137 13.228 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.454 43.503 14.871 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.707 46.574 12.062 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.499 45.021 11.772 1.00 0.00 H new ATOM 401 N VAL A 26 42.652 44.658 16.805 1.00 0.00 N ATOM 402 CA VAL A 26 43.125 45.506 17.881 1.00 0.00 C ATOM 403 C VAL A 26 44.643 45.682 17.812 1.00 0.00 C ATOM 404 O VAL A 26 45.129 46.811 17.841 1.00 0.00 O ATOM 405 CB VAL A 26 42.683 44.970 19.238 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.235 45.777 20.410 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.161 44.969 19.360 1.00 0.00 C ATOM 0 H VAL A 26 42.144 43.835 17.128 1.00 0.00 H new ATOM 0 HA VAL A 26 42.674 46.491 17.758 1.00 0.00 H new ATOM 0 HB VAL A 26 43.081 43.956 19.287 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.884 45.345 21.347 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.325 45.755 20.386 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.891 46.809 20.335 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.875 44.582 20.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.786 45.987 19.249 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.734 44.338 18.581 1.00 0.00 H new ATOM 417 N LYS A 27 45.399 44.609 17.595 1.00 0.00 N ATOM 418 CA LYS A 27 46.836 44.651 17.410 1.00 0.00 C ATOM 419 C LYS A 27 47.258 45.430 16.163 1.00 0.00 C ATOM 420 O LYS A 27 48.250 46.154 16.216 1.00 0.00 O ATOM 421 CB LYS A 27 47.411 43.239 17.456 1.00 0.00 C ATOM 422 CG LYS A 27 47.339 42.634 18.854 1.00 0.00 C ATOM 423 CD LYS A 27 47.536 41.122 18.922 1.00 0.00 C ATOM 424 CE LYS A 27 48.898 40.644 18.429 1.00 0.00 C ATOM 425 NZ LYS A 27 49.041 39.187 18.568 1.00 0.00 N ATOM 0 H LYS A 27 45.014 43.666 17.543 1.00 0.00 H new ATOM 0 HA LYS A 27 47.263 45.213 18.240 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.866 42.603 16.758 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.449 43.260 17.124 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.095 43.111 19.478 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.369 42.877 19.288 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.401 40.796 19.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.758 40.639 18.330 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.027 40.925 17.384 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.686 41.143 18.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.043 38.926 18.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.697 38.892 19.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.485 38.712 17.829 1.00 0.00 H new ATOM 439 N ALA A 28 46.486 45.374 15.082 1.00 0.00 N ATOM 440 CA ALA A 28 46.708 46.173 13.893 1.00 0.00 C ATOM 441 C ALA A 28 46.446 47.665 14.105 1.00 0.00 C ATOM 442 O ALA A 28 47.173 48.497 13.565 1.00 0.00 O ATOM 443 CB ALA A 28 45.837 45.649 12.754 1.00 0.00 C ATOM 0 H ALA A 28 45.675 44.759 15.012 1.00 0.00 H new ATOM 0 HA ALA A 28 47.764 46.077 13.642 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.005 46.251 11.861 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.096 44.611 12.546 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.787 45.711 13.041 1.00 0.00 H new ATOM 449 N LYS A 29 45.440 48.018 14.900 1.00 0.00 N ATOM 450 CA LYS A 29 45.089 49.378 15.256 1.00 0.00 C ATOM 451 C LYS A 29 46.141 50.038 16.149 1.00 0.00 C ATOM 452 O LYS A 29 46.425 51.221 15.980 1.00 0.00 O ATOM 453 CB LYS A 29 43.706 49.377 15.901 1.00 0.00 C ATOM 454 CG LYS A 29 42.590 49.224 14.873 1.00 0.00 C ATOM 455 CD LYS A 29 41.236 48.971 15.530 1.00 0.00 C ATOM 456 CE LYS A 29 40.147 48.978 14.461 1.00 0.00 C ATOM 457 NZ LYS A 29 38.838 48.580 14.999 1.00 0.00 N ATOM 0 H LYS A 29 44.823 47.329 15.330 1.00 0.00 H new ATOM 0 HA LYS A 29 45.061 49.983 14.350 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.645 48.564 16.624 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.564 50.306 16.453 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.534 50.125 14.263 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.827 48.399 14.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.245 48.013 16.050 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.033 49.738 16.277 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.072 49.975 14.028 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.428 48.301 13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.090 48.853 14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.819 47.550 15.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.678 49.056 15.910 1.00 0.00 H new ATOM 471 N ILE A 30 46.762 49.273 17.043 1.00 0.00 N ATOM 472 CA ILE A 30 47.917 49.681 17.817 1.00 0.00 C ATOM 473 C ILE A 30 49.125 49.907 16.906 1.00 0.00 C ATOM 474 O ILE A 30 49.805 50.926 17.014 1.00 0.00 O ATOM 475 CB ILE A 30 48.198 48.653 18.908 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.064 48.614 19.929 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.526 48.913 19.616 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.083 47.395 20.847 1.00 0.00 C ATOM 0 H ILE A 30 46.460 48.321 17.251 1.00 0.00 H new ATOM 0 HA ILE A 30 47.709 50.633 18.305 1.00 0.00 H new ATOM 0 HB ILE A 30 48.266 47.684 18.414 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.111 49.515 20.541 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.112 48.639 19.398 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.683 48.156 20.384 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.339 48.869 18.892 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.505 49.900 20.078 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.243 47.448 21.540 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.003 46.488 20.249 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.017 47.377 21.409 1.00 0.00 H new ATOM 490 N GLN A 31 49.380 48.990 15.977 1.00 0.00 N ATOM 491 CA GLN A 31 50.454 49.076 15.008 1.00 0.00 C ATOM 492 C GLN A 31 50.353 50.324 14.129 1.00 0.00 C ATOM 493 O GLN A 31 51.367 50.983 13.910 1.00 0.00 O ATOM 494 CB GLN A 31 50.448 47.795 14.178 1.00 0.00 C ATOM 495 CG GLN A 31 51.527 47.721 13.101 1.00 0.00 C ATOM 496 CD GLN A 31 51.296 46.562 12.129 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.184 46.072 11.944 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.338 46.089 11.452 1.00 0.00 N ATOM 0 H GLN A 31 48.823 48.141 15.880 1.00 0.00 H new ATOM 0 HA GLN A 31 51.404 49.173 15.534 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.566 46.944 14.849 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.473 47.692 13.702 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.549 48.659 12.546 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.503 47.607 13.574 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.265 46.489 11.598 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.210 45.327 10.787 1.00 0.00 H new ATOM 507 N ASP A 32 49.173 50.699 13.646 1.00 0.00 N ATOM 508 CA ASP A 32 49.013 51.874 12.814 1.00 0.00 C ATOM 509 C ASP A 32 49.376 53.173 13.536 1.00 0.00 C ATOM 510 O ASP A 32 50.108 53.992 12.985 1.00 0.00 O ATOM 511 CB ASP A 32 47.593 51.930 12.259 1.00 0.00 C ATOM 512 CG ASP A 32 47.407 53.092 11.282 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.588 53.992 11.567 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.094 53.124 10.238 1.00 0.00 O ATOM 0 H ASP A 32 48.305 50.194 13.823 1.00 0.00 H new ATOM 0 HA ASP A 32 49.719 51.784 11.988 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.363 50.991 11.755 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.885 52.031 13.082 1.00 0.00 H new ATOM 519 N LYS A 33 48.929 53.348 14.777 1.00 0.00 N ATOM 520 CA LYS A 33 49.206 54.538 15.555 1.00 0.00 C ATOM 521 C LYS A 33 50.652 54.631 16.044 1.00 0.00 C ATOM 522 O LYS A 33 51.268 55.682 15.878 1.00 0.00 O ATOM 523 CB LYS A 33 48.228 54.683 16.718 1.00 0.00 C ATOM 524 CG LYS A 33 46.806 54.924 16.219 1.00 0.00 C ATOM 525 CD LYS A 33 45.838 55.381 17.306 1.00 0.00 C ATOM 526 CE LYS A 33 46.088 56.810 17.782 1.00 0.00 C ATOM 527 NZ LYS A 33 45.744 57.808 16.758 1.00 0.00 N ATOM 0 H LYS A 33 48.360 52.659 15.269 1.00 0.00 H new ATOM 0 HA LYS A 33 49.063 55.374 14.871 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.253 53.782 17.331 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.537 55.511 17.355 1.00 0.00 H new ATOM 0 HG2 LYS A 33 46.831 55.675 15.429 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.428 54.005 15.772 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.818 55.305 16.929 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.914 54.704 18.157 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.502 56.999 18.681 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.137 56.921 18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.801 58.761 17.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.411 57.734 15.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.777 57.635 16.416 1.00 0.00 H new ATOM 541 N GLU A 34 51.223 53.568 16.603 1.00 0.00 N ATOM 542 CA GLU A 34 52.511 53.628 17.265 1.00 0.00 C ATOM 543 C GLU A 34 53.657 52.889 16.572 1.00 0.00 C ATOM 544 O GLU A 34 54.813 53.128 16.912 1.00 0.00 O ATOM 545 CB GLU A 34 52.353 53.176 18.714 1.00 0.00 C ATOM 546 CG GLU A 34 51.638 54.195 19.596 1.00 0.00 C ATOM 547 CD GLU A 34 52.372 55.536 19.654 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.573 55.566 19.999 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.784 56.579 19.294 1.00 0.00 O ATOM 0 H GLU A 34 50.799 52.640 16.607 1.00 0.00 H new ATOM 0 HA GLU A 34 52.820 54.672 17.214 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.799 52.237 18.735 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.339 52.974 19.133 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.628 54.353 19.218 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.541 53.793 20.605 1.00 0.00 H new ATOM 556 N GLY A 35 53.395 52.031 15.590 1.00 0.00 N ATOM 557 CA GLY A 35 54.433 51.337 14.854 1.00 0.00 C ATOM 558 C GLY A 35 55.047 50.148 15.597 1.00 0.00 C ATOM 559 O GLY A 35 56.264 49.982 15.580 1.00 0.00 O ATOM 0 H GLY A 35 52.449 51.800 15.285 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.018 50.985 13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.225 52.046 14.610 1.00 0.00 H new ATOM 563 N ILE A 36 54.226 49.357 16.281 1.00 0.00 N ATOM 564 CA ILE A 36 54.627 48.190 17.041 1.00 0.00 C ATOM 565 C ILE A 36 54.154 46.933 16.307 1.00 0.00 C ATOM 566 O ILE A 36 52.943 46.761 16.181 1.00 0.00 O ATOM 567 CB ILE A 36 54.063 48.260 18.457 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.435 49.562 19.160 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.558 47.064 19.267 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.806 49.745 20.538 1.00 0.00 C ATOM 0 H ILE A 36 53.220 49.524 16.319 1.00 0.00 H new ATOM 0 HA ILE A 36 55.713 48.156 17.127 1.00 0.00 H new ATOM 0 HB ILE A 36 52.976 48.232 18.384 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.519 49.607 19.262 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.139 50.398 18.527 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.154 47.117 20.278 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.227 46.141 18.792 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.647 47.080 19.311 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.127 50.697 20.961 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.720 49.736 20.446 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.121 48.933 21.193 1.00 0.00 H new ATOM 582 N PRO A 37 55.023 46.038 15.845 1.00 0.00 N ATOM 583 CA PRO A 37 54.618 44.842 15.135 1.00 0.00 C ATOM 584 C PRO A 37 53.722 43.921 15.965 1.00 0.00 C ATOM 585 O PRO A 37 54.049 43.666 17.121 1.00 0.00 O ATOM 586 CB PRO A 37 55.900 44.115 14.736 1.00 0.00 C ATOM 587 CG PRO A 37 56.932 45.238 14.692 1.00 0.00 C ATOM 588 CD PRO A 37 56.466 46.171 15.805 1.00 0.00 C ATOM 0 HA PRO A 37 54.019 45.125 14.269 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.170 43.347 15.460 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.800 43.621 13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.941 44.867 14.872 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.944 45.738 13.724 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.912 45.895 16.761 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.759 47.201 15.602 1.00 0.00 H new ATOM 596 N PRO A 38 52.638 43.378 15.416 1.00 0.00 N ATOM 597 CA PRO A 38 51.744 42.479 16.118 1.00 0.00 C ATOM 598 C PRO A 38 52.419 41.277 16.783 1.00 0.00 C ATOM 599 O PRO A 38 52.045 40.932 17.902 1.00 0.00 O ATOM 600 CB PRO A 38 50.711 42.042 15.083 1.00 0.00 C ATOM 601 CG PRO A 38 50.619 43.258 14.165 1.00 0.00 C ATOM 602 CD PRO A 38 52.055 43.776 14.151 1.00 0.00 C ATOM 0 HA PRO A 38 51.301 43.004 16.964 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.031 41.151 14.543 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.751 41.809 15.543 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.276 42.987 13.166 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.923 44.004 14.549 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.613 43.355 13.315 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.077 44.860 14.035 1.00 0.00 H new ATOM 610 N ASP A 39 53.452 40.693 16.183 1.00 0.00 N ATOM 611 CA ASP A 39 54.193 39.588 16.756 1.00 0.00 C ATOM 612 C ASP A 39 55.014 39.947 17.996 1.00 0.00 C ATOM 613 O ASP A 39 55.461 39.057 18.716 1.00 0.00 O ATOM 614 CB ASP A 39 55.059 38.922 15.690 1.00 0.00 C ATOM 615 CG ASP A 39 56.229 39.792 15.226 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.029 40.634 14.325 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.364 39.598 15.712 1.00 0.00 O ATOM 0 H ASP A 39 53.799 40.984 15.269 1.00 0.00 H new ATOM 0 HA ASP A 39 53.445 38.880 17.114 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.448 37.983 16.083 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.437 38.674 14.830 1.00 0.00 H new ATOM 622 N GLN A 40 55.205 41.233 18.280 1.00 0.00 N ATOM 623 CA GLN A 40 55.857 41.733 19.472 1.00 0.00 C ATOM 624 C GLN A 40 54.879 42.137 20.577 1.00 0.00 C ATOM 625 O GLN A 40 55.315 42.378 21.701 1.00 0.00 O ATOM 626 CB GLN A 40 56.774 42.902 19.121 1.00 0.00 C ATOM 627 CG GLN A 40 57.886 42.529 18.145 1.00 0.00 C ATOM 628 CD GLN A 40 58.872 43.674 17.903 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.036 44.587 18.710 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.590 43.679 16.783 1.00 0.00 N ATOM 0 H GLN A 40 54.895 41.979 17.657 1.00 0.00 H new ATOM 0 HA GLN A 40 56.447 40.908 19.871 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.177 43.706 18.690 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.220 43.292 20.036 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.427 41.665 18.531 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.444 42.230 17.195 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.472 42.932 16.098 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.259 44.429 16.609 1.00 0.00 H new ATOM 639 N GLN A 41 53.584 42.227 20.289 1.00 0.00 N ATOM 640 CA GLN A 41 52.553 42.650 21.213 1.00 0.00 C ATOM 641 C GLN A 41 51.957 41.472 21.985 1.00 0.00 C ATOM 642 O GLN A 41 51.592 40.466 21.380 1.00 0.00 O ATOM 643 CB GLN A 41 51.431 43.368 20.467 1.00 0.00 C ATOM 644 CG GLN A 41 51.815 44.650 19.732 1.00 0.00 C ATOM 645 CD GLN A 41 50.617 45.241 18.985 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.486 45.238 19.466 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.769 45.753 17.767 1.00 0.00 N ATOM 0 H GLN A 41 53.216 41.996 19.366 1.00 0.00 H new ATOM 0 HA GLN A 41 53.025 43.327 21.925 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.004 42.674 19.743 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.644 43.607 21.182 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.198 45.380 20.445 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.619 44.441 19.027 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.692 45.773 17.334 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.962 46.125 17.266 1.00 0.00 H new ATOM 656 N ARG A 42 51.774 41.617 23.295 1.00 0.00 N ATOM 657 CA ARG A 42 50.981 40.744 24.137 1.00 0.00 C ATOM 658 C ARG A 42 50.004 41.588 24.961 1.00 0.00 C ATOM 659 O ARG A 42 50.436 42.501 25.659 1.00 0.00 O ATOM 660 CB ARG A 42 51.894 39.898 25.020 1.00 0.00 C ATOM 661 CG ARG A 42 52.790 38.950 24.229 1.00 0.00 C ATOM 662 CD ARG A 42 53.732 38.124 25.100 1.00 0.00 C ATOM 663 NE ARG A 42 53.008 37.170 25.939 1.00 0.00 N ATOM 664 CZ ARG A 42 53.515 36.168 26.670 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.807 35.812 26.670 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.708 35.445 27.459 1.00 0.00 N ATOM 0 H ARG A 42 52.197 42.384 23.817 1.00 0.00 H new ATOM 0 HA ARG A 42 50.399 40.057 23.523 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.518 40.558 25.623 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.283 39.317 25.711 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.164 38.275 23.646 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.381 39.530 23.520 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.436 37.586 24.464 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.319 38.790 25.732 1.00 0.00 H new ATOM 0 HE ARG A 42 51.995 37.281 25.972 1.00 0.00 H new ATOM 0 HH11 ARG A 42 55.475 36.316 26.087 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.122 35.037 27.253 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.711 35.658 27.502 1.00 0.00 H new ATOM 0 HH22 ARG A 42 53.090 34.681 28.017 1.00 0.00 H new ATOM 680 N LEU A 43 48.701 41.346 24.848 1.00 0.00 N ATOM 681 CA LEU A 43 47.661 42.201 25.383 1.00 0.00 C ATOM 682 C LEU A 43 46.863 41.526 26.501 1.00 0.00 C ATOM 683 O LEU A 43 46.516 40.352 26.392 1.00 0.00 O ATOM 684 CB LEU A 43 46.794 42.676 24.220 1.00 0.00 C ATOM 685 CG LEU A 43 45.874 43.858 24.514 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.630 45.168 24.709 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.924 44.061 23.337 1.00 0.00 C ATOM 0 H LEU A 43 48.335 40.524 24.367 1.00 0.00 H new ATOM 0 HA LEU A 43 48.109 43.069 25.866 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.448 42.947 23.391 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.182 41.839 23.883 1.00 0.00 H new ATOM 0 HG LEU A 43 45.348 43.617 25.438 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.921 45.970 24.915 1.00 0.00 H new ATOM 0 HD12 LEU A 43 47.319 45.069 25.548 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.191 45.403 23.804 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.265 44.904 23.543 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.501 44.263 22.434 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.327 43.161 23.192 1.00 0.00 H new ATOM 699 N ILE A 44 46.594 42.247 27.585 1.00 0.00 N ATOM 700 CA ILE A 44 46.077 41.733 28.838 1.00 0.00 C ATOM 701 C ILE A 44 44.832 42.504 29.282 1.00 0.00 C ATOM 702 O ILE A 44 44.812 43.732 29.244 1.00 0.00 O ATOM 703 CB ILE A 44 47.175 41.755 29.898 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.356 40.881 29.486 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.654 41.328 31.266 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.536 40.868 30.454 1.00 0.00 C ATOM 0 H ILE A 44 46.740 43.256 27.609 1.00 0.00 H new ATOM 0 HA ILE A 44 45.766 40.698 28.695 1.00 0.00 H new ATOM 0 HB ILE A 44 47.517 42.787 29.978 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.001 39.858 29.360 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.712 41.217 28.512 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.468 41.358 31.991 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.862 42.007 31.582 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.260 40.314 31.205 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.319 40.217 30.065 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.927 41.879 30.564 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.206 40.499 31.425 1.00 0.00 H new ATOM 718 N PHE A 45 43.821 41.780 29.756 1.00 0.00 N ATOM 719 CA PHE A 45 42.604 42.304 30.343 1.00 0.00 C ATOM 720 C PHE A 45 42.365 41.729 31.741 1.00 0.00 C ATOM 721 O PHE A 45 42.199 40.521 31.891 1.00 0.00 O ATOM 722 CB PHE A 45 41.422 41.978 29.434 1.00 0.00 C ATOM 723 CG PHE A 45 40.072 42.403 29.958 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.866 43.692 30.465 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.010 41.491 29.954 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.613 44.065 30.967 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.755 41.861 30.451 1.00 0.00 C ATOM 728 CZ PHE A 45 37.553 43.150 30.959 1.00 0.00 C ATOM 0 H PHE A 45 43.836 40.760 29.737 1.00 0.00 H new ATOM 0 HA PHE A 45 42.707 43.385 30.442 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.585 42.455 28.467 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.404 40.902 29.260 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.679 44.403 30.469 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.160 40.495 29.565 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.464 45.060 31.361 1.00 0.00 H new ATOM 0 HE2 PHE A 45 36.941 41.151 30.443 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.585 43.437 31.343 1.00 0.00 H new ATOM 738 N ALA A 46 42.345 42.578 32.764 1.00 0.00 N ATOM 739 CA ALA A 46 42.198 42.211 34.158 1.00 0.00 C ATOM 740 C ALA A 46 43.099 41.051 34.589 1.00 0.00 C ATOM 741 O ALA A 46 42.674 40.121 35.270 1.00 0.00 O ATOM 742 CB ALA A 46 40.714 42.030 34.467 1.00 0.00 C ATOM 0 H ALA A 46 42.435 43.585 32.632 1.00 0.00 H new ATOM 0 HA ALA A 46 42.566 43.025 34.782 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.591 41.753 35.514 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.186 42.964 34.274 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.304 41.243 33.834 1.00 0.00 H new ATOM 748 N GLY A 47 44.351 41.073 34.141 1.00 0.00 N ATOM 749 CA GLY A 47 45.343 40.042 34.369 1.00 0.00 C ATOM 750 C GLY A 47 45.187 38.734 33.590 1.00 0.00 C ATOM 751 O GLY A 47 45.961 37.810 33.831 1.00 0.00 O ATOM 0 H GLY A 47 44.712 41.848 33.585 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.323 40.459 34.136 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.343 39.803 35.433 1.00 0.00 H new ATOM 755 N LYS A 48 44.234 38.629 32.668 1.00 0.00 N ATOM 756 CA LYS A 48 44.058 37.496 31.783 1.00 0.00 C ATOM 757 C LYS A 48 44.627 37.782 30.392 1.00 0.00 C ATOM 758 O LYS A 48 44.491 38.892 29.881 1.00 0.00 O ATOM 759 CB LYS A 48 42.590 37.088 31.707 1.00 0.00 C ATOM 760 CG LYS A 48 41.955 36.679 33.032 1.00 0.00 C ATOM 761 CD LYS A 48 42.543 35.420 33.664 1.00 0.00 C ATOM 762 CE LYS A 48 41.731 35.010 34.887 1.00 0.00 C ATOM 763 NZ LYS A 48 42.180 33.724 35.442 1.00 0.00 N ATOM 0 H LYS A 48 43.541 39.361 32.516 1.00 0.00 H new ATOM 0 HA LYS A 48 44.618 36.658 32.199 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.020 37.920 31.292 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.497 36.257 31.007 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.057 37.504 33.737 1.00 0.00 H new ATOM 0 HG3 LYS A 48 40.888 36.525 32.874 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.550 34.609 32.936 1.00 0.00 H new ATOM 0 HD3 LYS A 48 43.579 35.599 33.951 1.00 0.00 H new ATOM 0 HE2 LYS A 48 41.812 35.783 35.651 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.678 34.940 34.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.601 33.483 36.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.079 32.981 34.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 43.178 33.798 35.725 1.00 0.00 H new ATOM 777 N GLN A 49 45.268 36.790 29.780 1.00 0.00 N ATOM 778 CA GLN A 49 45.993 36.936 28.534 1.00 0.00 C ATOM 779 C GLN A 49 45.096 36.688 27.320 1.00 0.00 C ATOM 780 O GLN A 49 44.447 35.648 27.216 1.00 0.00 O ATOM 781 CB GLN A 49 47.230 36.042 28.537 1.00 0.00 C ATOM 782 CG GLN A 49 48.193 36.368 29.674 1.00 0.00 C ATOM 783 CD GLN A 49 49.515 35.604 29.584 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.583 36.178 29.383 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.515 34.286 29.769 1.00 0.00 N ATOM 0 H GLN A 49 45.295 35.840 30.151 1.00 0.00 H new ATOM 0 HA GLN A 49 46.329 37.969 28.451 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.919 35.000 28.618 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.750 36.147 27.585 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.399 37.438 29.671 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.713 36.138 30.625 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.637 33.795 29.937 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.393 33.767 29.743 1.00 0.00 H new ATOM 794 N LEU A 50 45.059 37.644 26.397 1.00 0.00 N ATOM 795 CA LEU A 50 44.227 37.622 25.211 1.00 0.00 C ATOM 796 C LEU A 50 44.904 36.895 24.047 1.00 0.00 C ATOM 797 O LEU A 50 46.122 36.955 23.892 1.00 0.00 O ATOM 798 CB LEU A 50 43.855 39.052 24.828 1.00 0.00 C ATOM 799 CG LEU A 50 43.216 39.900 25.923 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.977 41.315 25.405 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.874 39.338 26.387 1.00 0.00 C ATOM 0 H LEU A 50 45.632 38.485 26.462 1.00 0.00 H new ATOM 0 HA LEU A 50 43.320 37.062 25.438 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.756 39.560 24.484 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.169 39.012 23.982 1.00 0.00 H new ATOM 0 HG LEU A 50 43.906 39.896 26.767 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.520 41.918 26.190 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.928 41.761 25.112 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.312 41.279 24.542 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.461 39.978 27.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.184 39.302 25.544 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.018 38.332 26.782 1.00 0.00 H new ATOM 813 N GLU A 51 44.117 36.245 23.196 1.00 0.00 N ATOM 814 CA GLU A 51 44.551 35.519 22.019 1.00 0.00 C ATOM 815 C GLU A 51 43.892 36.008 20.727 1.00 0.00 C ATOM 816 O GLU A 51 42.787 36.546 20.731 1.00 0.00 O ATOM 817 CB GLU A 51 44.364 34.019 22.224 1.00 0.00 C ATOM 818 CG GLU A 51 42.916 33.563 22.383 1.00 0.00 C ATOM 819 CD GLU A 51 42.822 32.035 22.407 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.601 31.448 23.488 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.939 31.398 21.338 1.00 0.00 O ATOM 0 H GLU A 51 43.105 36.212 23.320 1.00 0.00 H new ATOM 0 HA GLU A 51 45.614 35.722 21.891 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.803 33.494 21.375 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.923 33.716 23.109 1.00 0.00 H new ATOM 0 HG2 GLU A 51 42.502 33.971 23.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 42.315 33.955 21.562 1.00 0.00 H new ATOM 828 N ASP A 52 44.550 35.775 19.595 1.00 0.00 N ATOM 829 CA ASP A 52 44.190 36.276 18.284 1.00 0.00 C ATOM 830 C ASP A 52 43.040 35.526 17.607 1.00 0.00 C ATOM 831 O ASP A 52 42.568 35.954 16.557 1.00 0.00 O ATOM 832 CB ASP A 52 45.428 36.273 17.392 1.00 0.00 C ATOM 833 CG ASP A 52 46.555 37.193 17.865 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.712 38.299 17.306 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.366 36.799 18.731 1.00 0.00 O ATOM 0 H ASP A 52 45.393 35.200 19.573 1.00 0.00 H new ATOM 0 HA ASP A 52 43.817 37.289 18.432 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.811 35.255 17.327 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.135 36.568 16.384 1.00 0.00 H new ATOM 840 N GLY A 53 42.566 34.415 18.165 1.00 0.00 N ATOM 841 CA GLY A 53 41.505 33.604 17.605 1.00 0.00 C ATOM 842 C GLY A 53 40.073 34.000 17.969 1.00 0.00 C ATOM 843 O GLY A 53 39.153 33.281 17.585 1.00 0.00 O ATOM 0 H GLY A 53 42.925 34.049 19.047 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.598 33.624 16.519 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.663 32.572 17.919 1.00 0.00 H new ATOM 847 N ARG A 54 39.882 35.068 18.738 1.00 0.00 N ATOM 848 CA ARG A 54 38.615 35.487 19.305 1.00 0.00 C ATOM 849 C ARG A 54 38.307 36.968 19.074 1.00 0.00 C ATOM 850 O ARG A 54 39.202 37.766 18.801 1.00 0.00 O ATOM 851 CB ARG A 54 38.583 35.195 20.803 1.00 0.00 C ATOM 852 CG ARG A 54 38.898 33.765 21.234 1.00 0.00 C ATOM 853 CD ARG A 54 37.859 32.738 20.793 1.00 0.00 C ATOM 854 NE ARG A 54 38.354 31.380 21.018 1.00 0.00 N ATOM 855 CZ ARG A 54 37.825 30.249 20.533 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.649 30.195 19.893 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.471 29.082 20.665 1.00 0.00 N ATOM 0 H ARG A 54 40.648 35.692 18.992 1.00 0.00 H new ATOM 0 HA ARG A 54 37.847 34.912 18.787 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.292 35.861 21.294 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.592 35.452 21.178 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.869 33.480 20.829 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.985 33.735 22.320 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.932 32.890 21.345 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.627 32.877 19.737 1.00 0.00 H new ATOM 0 HE ARG A 54 39.185 31.285 21.602 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.105 31.046 19.753 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.298 29.303 19.546 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.374 29.050 21.138 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.060 28.226 20.292 1.00 0.00 H new ATOM 871 N THR A 55 37.039 37.335 19.235 1.00 0.00 N ATOM 872 CA THR A 55 36.542 38.694 19.161 1.00 0.00 C ATOM 873 C THR A 55 36.448 39.357 20.537 1.00 0.00 C ATOM 874 O THR A 55 36.382 38.682 21.562 1.00 0.00 O ATOM 875 CB THR A 55 35.228 38.803 18.394 1.00 0.00 C ATOM 876 OG1 THR A 55 34.163 38.137 19.034 1.00 0.00 O ATOM 877 CG2 THR A 55 35.342 38.245 16.978 1.00 0.00 C ATOM 0 H THR A 55 36.301 36.658 19.429 1.00 0.00 H new ATOM 0 HA THR A 55 37.285 39.249 18.588 1.00 0.00 H new ATOM 0 HB THR A 55 35.016 39.872 18.360 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.521 37.456 19.641 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.383 38.344 16.470 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.103 38.800 16.428 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.622 37.193 17.023 1.00 0.00 H new ATOM 885 N LEU A 56 36.450 40.686 20.571 1.00 0.00 N ATOM 886 CA LEU A 56 36.490 41.480 21.782 1.00 0.00 C ATOM 887 C LEU A 56 35.376 41.130 22.772 1.00 0.00 C ATOM 888 O LEU A 56 35.610 41.047 23.975 1.00 0.00 O ATOM 889 CB LEU A 56 36.448 42.940 21.337 1.00 0.00 C ATOM 890 CG LEU A 56 36.730 43.963 22.434 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.197 43.953 22.851 1.00 0.00 C ATOM 892 CD2 LEU A 56 36.396 45.366 21.938 1.00 0.00 C ATOM 0 H LEU A 56 36.423 41.254 19.724 1.00 0.00 H new ATOM 0 HA LEU A 56 37.402 41.271 22.342 1.00 0.00 H new ATOM 0 HB2 LEU A 56 37.175 43.080 20.537 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.465 43.146 20.915 1.00 0.00 H new ATOM 0 HG LEU A 56 36.111 43.693 23.289 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.358 44.695 23.633 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.461 42.965 23.228 1.00 0.00 H new ATOM 0 HD13 LEU A 56 38.822 44.192 21.990 1.00 0.00 H new ATOM 0 HD21 LEU A 56 36.600 46.089 22.727 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.007 45.599 21.066 1.00 0.00 H new ATOM 0 HD23 LEU A 56 35.342 45.414 21.666 1.00 0.00 H new ATOM 904 N SER A 57 34.180 40.854 22.259 1.00 0.00 N ATOM 905 CA SER A 57 33.022 40.398 23.002 1.00 0.00 C ATOM 906 C SER A 57 33.189 39.047 23.699 1.00 0.00 C ATOM 907 O SER A 57 32.576 38.839 24.744 1.00 0.00 O ATOM 908 CB SER A 57 31.804 40.293 22.088 1.00 0.00 C ATOM 909 OG SER A 57 32.092 39.583 20.905 1.00 0.00 O ATOM 0 H SER A 57 33.989 40.949 21.262 1.00 0.00 H new ATOM 0 HA SER A 57 32.892 41.152 23.778 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.993 39.797 22.620 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.454 41.293 21.834 1.00 0.00 H new ATOM 0 HG SER A 57 32.466 40.196 20.238 1.00 0.00 H new ATOM 915 N ASP A 58 34.026 38.140 23.204 1.00 0.00 N ATOM 916 CA ASP A 58 34.250 36.849 23.821 1.00 0.00 C ATOM 917 C ASP A 58 34.974 36.965 25.164 1.00 0.00 C ATOM 918 O ASP A 58 34.900 36.064 25.997 1.00 0.00 O ATOM 919 CB ASP A 58 34.995 35.928 22.858 1.00 0.00 C ATOM 920 CG ASP A 58 34.277 35.732 21.521 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.097 35.322 21.523 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.882 35.984 20.457 1.00 0.00 O ATOM 0 H ASP A 58 34.570 38.288 22.354 1.00 0.00 H new ATOM 0 HA ASP A 58 33.276 36.410 24.037 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.988 36.337 22.671 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.135 34.956 23.332 1.00 0.00 H new ATOM 927 N TYR A 59 35.615 38.101 25.425 1.00 0.00 N ATOM 928 CA TYR A 59 36.213 38.454 26.697 1.00 0.00 C ATOM 929 C TYR A 59 35.318 39.340 27.565 1.00 0.00 C ATOM 930 O TYR A 59 35.690 39.670 28.689 1.00 0.00 O ATOM 931 CB TYR A 59 37.563 39.115 26.437 1.00 0.00 C ATOM 932 CG TYR A 59 38.489 38.333 25.536 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.254 37.285 26.062 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.579 38.653 24.176 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.143 36.584 25.239 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.458 37.953 23.342 1.00 0.00 C ATOM 937 CZ TYR A 59 40.265 36.931 23.879 1.00 0.00 C ATOM 938 OH TYR A 59 41.184 36.283 23.107 1.00 0.00 O ATOM 0 H TYR A 59 35.734 38.829 24.720 1.00 0.00 H new ATOM 0 HA TYR A 59 36.348 37.537 27.270 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.392 40.096 25.995 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.061 39.279 27.392 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.158 37.017 27.104 1.00 0.00 H new ATOM 0 HD2 TYR A 59 37.967 39.444 23.769 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.735 35.778 25.646 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.517 38.195 22.291 1.00 0.00 H new ATOM 0 HH TYR A 59 41.456 36.863 22.366 1.00 0.00 H new ATOM 948 N ASN A 60 34.144 39.727 27.074 1.00 0.00 N ATOM 949 CA ASN A 60 33.214 40.637 27.711 1.00 0.00 C ATOM 950 C ASN A 60 33.808 41.993 28.094 1.00 0.00 C ATOM 951 O ASN A 60 33.522 42.540 29.156 1.00 0.00 O ATOM 952 CB ASN A 60 32.465 39.909 28.823 1.00 0.00 C ATOM 953 CG ASN A 60 31.205 40.643 29.285 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.601 41.432 28.562 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.739 40.349 30.496 1.00 0.00 N ATOM 0 H ASN A 60 33.803 39.393 26.172 1.00 0.00 H new ATOM 0 HA ASN A 60 32.473 40.937 26.970 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.190 38.913 28.475 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.132 39.776 29.674 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.876 40.779 30.829 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.245 39.693 31.092 1.00 0.00 H new ATOM 962 N ILE A 61 34.650 42.546 27.225 1.00 0.00 N ATOM 963 CA ILE A 61 35.199 43.883 27.339 1.00 0.00 C ATOM 964 C ILE A 61 34.148 44.898 26.886 1.00 0.00 C ATOM 965 O ILE A 61 33.465 44.685 25.886 1.00 0.00 O ATOM 966 CB ILE A 61 36.509 43.984 26.564 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.585 43.124 27.220 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.004 45.424 26.451 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.767 42.787 26.314 1.00 0.00 C ATOM 0 H ILE A 61 34.977 42.053 26.394 1.00 0.00 H new ATOM 0 HA ILE A 61 35.442 44.109 28.377 1.00 0.00 H new ATOM 0 HB ILE A 61 36.310 43.619 25.556 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.957 43.642 28.104 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.130 42.195 27.563 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.939 45.444 25.891 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.257 46.026 25.933 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.169 45.831 27.448 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.482 42.174 26.862 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.412 42.238 25.442 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.252 43.708 25.991 1.00 0.00 H new ATOM 981 N GLN A 62 34.024 46.003 27.615 1.00 0.00 N ATOM 982 CA GLN A 62 33.038 47.051 27.438 1.00 0.00 C ATOM 983 C GLN A 62 33.686 48.414 27.191 1.00 0.00 C ATOM 984 O GLN A 62 34.909 48.538 27.187 1.00 0.00 O ATOM 985 CB GLN A 62 32.116 47.039 28.653 1.00 0.00 C ATOM 986 CG GLN A 62 31.127 45.878 28.605 1.00 0.00 C ATOM 987 CD GLN A 62 30.129 45.915 29.764 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.494 45.762 30.928 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.846 46.158 29.515 1.00 0.00 N ATOM 0 H GLN A 62 34.653 46.198 28.394 1.00 0.00 H new ATOM 0 HA GLN A 62 32.447 46.861 26.542 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.714 46.969 29.562 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.569 47.980 28.703 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.584 45.905 27.660 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.675 44.936 28.631 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.528 46.287 28.554 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.179 46.215 30.285 1.00 0.00 H new ATOM 998 N LYS A 63 32.884 49.455 26.988 1.00 0.00 N ATOM 999 CA LYS A 63 33.371 50.789 26.694 1.00 0.00 C ATOM 1000 C LYS A 63 34.198 51.396 27.828 1.00 0.00 C ATOM 1001 O LYS A 63 33.959 51.107 28.999 1.00 0.00 O ATOM 1002 CB LYS A 63 32.218 51.693 26.268 1.00 0.00 C ATOM 1003 CG LYS A 63 31.310 52.156 27.405 1.00 0.00 C ATOM 1004 CD LYS A 63 30.048 52.799 26.837 1.00 0.00 C ATOM 1005 CE LYS A 63 29.045 53.215 27.910 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.510 54.339 28.737 1.00 0.00 N ATOM 0 H LYS A 63 31.867 49.390 27.025 1.00 0.00 H new ATOM 0 HA LYS A 63 34.064 50.701 25.857 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.629 52.571 25.770 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.613 51.163 25.532 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.043 51.309 28.037 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.839 52.870 28.036 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.327 53.675 26.252 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.568 52.099 26.153 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.105 53.490 27.432 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.837 52.361 28.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.785 54.572 29.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.392 54.073 29.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.682 55.167 28.132 1.00 0.00 H new ATOM 1020 N GLU A 64 35.148 52.262 27.488 1.00 0.00 N ATOM 1021 CA GLU A 64 36.013 52.993 28.393 1.00 0.00 C ATOM 1022 C GLU A 64 36.954 52.128 29.233 1.00 0.00 C ATOM 1023 O GLU A 64 37.563 52.600 30.190 1.00 0.00 O ATOM 1024 CB GLU A 64 35.182 53.999 29.185 1.00 0.00 C ATOM 1025 CG GLU A 64 35.944 55.248 29.621 1.00 0.00 C ATOM 1026 CD GLU A 64 35.086 56.230 30.420 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.870 56.338 30.150 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.648 56.921 31.298 1.00 0.00 O ATOM 0 H GLU A 64 35.342 52.482 26.511 1.00 0.00 H new ATOM 0 HA GLU A 64 36.728 53.552 27.789 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.329 54.303 28.579 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.784 53.504 30.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.801 54.950 30.225 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.336 55.753 28.738 1.00 0.00 H new ATOM 1035 N SER A 65 37.113 50.858 28.870 1.00 0.00 N ATOM 1036 CA SER A 65 37.993 49.905 29.514 1.00 0.00 C ATOM 1037 C SER A 65 39.474 50.202 29.264 1.00 0.00 C ATOM 1038 O SER A 65 39.831 50.692 28.195 1.00 0.00 O ATOM 1039 CB SER A 65 37.665 48.503 29.008 1.00 0.00 C ATOM 1040 OG SER A 65 38.084 47.500 29.907 1.00 0.00 O ATOM 0 H SER A 65 36.606 50.454 28.083 1.00 0.00 H new ATOM 0 HA SER A 65 37.827 49.981 30.589 1.00 0.00 H new ATOM 0 HB2 SER A 65 36.590 48.419 28.848 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.145 48.346 28.042 1.00 0.00 H new ATOM 0 HG SER A 65 37.716 46.636 29.628 1.00 0.00 H new ATOM 1046 N THR A 66 40.336 49.843 30.210 1.00 0.00 N ATOM 1047 CA THR A 66 41.776 49.951 30.103 1.00 0.00 C ATOM 1048 C THR A 66 42.414 48.562 30.026 1.00 0.00 C ATOM 1049 O THR A 66 42.278 47.748 30.936 1.00 0.00 O ATOM 1050 CB THR A 66 42.369 50.753 31.258 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.760 52.021 31.345 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.863 51.010 31.082 1.00 0.00 C ATOM 0 H THR A 66 40.033 49.455 31.103 1.00 0.00 H new ATOM 0 HA THR A 66 41.999 50.490 29.182 1.00 0.00 H new ATOM 0 HB THR A 66 42.194 50.154 32.152 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.151 52.521 32.092 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.236 51.584 31.930 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.392 50.058 31.027 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.030 51.571 30.163 1.00 0.00 H new ATOM 1060 N LEU A 67 43.148 48.309 28.946 1.00 0.00 N ATOM 1061 CA LEU A 67 43.922 47.105 28.716 1.00 0.00 C ATOM 1062 C LEU A 67 45.410 47.395 28.924 1.00 0.00 C ATOM 1063 O LEU A 67 45.866 48.517 28.719 1.00 0.00 O ATOM 1064 CB LEU A 67 43.646 46.558 27.319 1.00 0.00 C ATOM 1065 CG LEU A 67 42.181 46.363 26.940 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.089 45.707 25.565 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.444 45.484 27.947 1.00 0.00 C ATOM 0 H LEU A 67 43.219 48.973 28.175 1.00 0.00 H new ATOM 0 HA LEU A 67 43.624 46.341 29.434 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.099 47.233 26.593 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.154 45.598 27.222 1.00 0.00 H new ATOM 0 HG LEU A 67 41.713 47.348 26.932 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.041 45.569 25.297 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.572 46.345 24.825 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.588 44.738 25.590 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.404 45.371 27.639 1.00 0.00 H new ATOM 0 HD22 LEU A 67 41.918 44.504 27.990 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.482 45.949 28.932 1.00 0.00 H new ATOM 1079 N HIS A 68 46.185 46.380 29.299 1.00 0.00 N ATOM 1080 CA HIS A 68 47.615 46.498 29.500 1.00 0.00 C ATOM 1081 C HIS A 68 48.377 45.783 28.382 1.00 0.00 C ATOM 1082 O HIS A 68 48.034 44.667 28.001 1.00 0.00 O ATOM 1083 CB HIS A 68 48.004 45.994 30.887 1.00 0.00 C ATOM 1084 CG HIS A 68 47.566 46.895 32.010 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.411 47.691 32.781 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.283 47.045 32.469 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.632 48.308 33.672 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.349 47.944 33.516 1.00 0.00 N ATOM 0 H HIS A 68 45.826 45.441 29.473 1.00 0.00 H new ATOM 0 HA HIS A 68 47.895 47.550 29.453 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.571 45.005 31.038 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.087 45.877 30.930 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.398 46.558 32.088 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.986 49.005 34.417 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.561 48.274 34.073 1.00 0.00 H new ATOM 1096 N LEU A 69 49.407 46.435 27.850 1.00 0.00 N ATOM 1097 CA LEU A 69 50.224 45.980 26.744 1.00 0.00 C ATOM 1098 C LEU A 69 51.638 45.666 27.235 1.00 0.00 C ATOM 1099 O LEU A 69 52.299 46.513 27.831 1.00 0.00 O ATOM 1100 CB LEU A 69 50.201 47.053 25.659 1.00 0.00 C ATOM 1101 CG LEU A 69 51.077 46.789 24.437 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.681 45.531 23.671 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.986 47.973 23.479 1.00 0.00 C ATOM 0 H LEU A 69 49.705 47.344 28.203 1.00 0.00 H new ATOM 0 HA LEU A 69 49.831 45.056 26.319 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.172 47.179 25.323 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.509 47.999 26.105 1.00 0.00 H new ATOM 0 HG LEU A 69 52.091 46.648 24.811 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.343 45.403 22.815 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.764 44.664 24.327 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.652 45.626 23.323 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.612 47.784 22.607 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.952 48.106 23.162 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.330 48.876 23.983 1.00 0.00 H new ATOM 1115 N VAL A 70 52.104 44.452 26.953 1.00 0.00 N ATOM 1116 CA VAL A 70 53.451 43.980 27.201 1.00 0.00 C ATOM 1117 C VAL A 70 54.144 43.757 25.855 1.00 0.00 C ATOM 1118 O VAL A 70 53.539 43.233 24.923 1.00 0.00 O ATOM 1119 CB VAL A 70 53.449 42.716 28.057 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.869 42.291 28.416 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.685 42.919 29.362 1.00 0.00 C ATOM 0 H VAL A 70 51.516 43.738 26.523 1.00 0.00 H new ATOM 0 HA VAL A 70 54.004 44.729 27.768 1.00 0.00 H new ATOM 0 HB VAL A 70 52.962 41.946 27.459 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.835 41.388 29.026 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.431 42.092 27.503 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.357 43.089 28.976 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.706 41.997 29.943 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.151 43.720 29.935 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.651 43.185 29.141 1.00 0.00 H new ATOM 1131 N LEU A 71 55.407 44.163 25.756 1.00 0.00 N ATOM 1132 CA LEU A 71 56.186 44.115 24.536 1.00 0.00 C ATOM 1133 C LEU A 71 57.327 43.101 24.643 1.00 0.00 C ATOM 1134 O LEU A 71 57.990 43.005 25.674 1.00 0.00 O ATOM 1135 CB LEU A 71 56.705 45.501 24.165 1.00 0.00 C ATOM 1136 CG LEU A 71 55.698 46.588 23.800 1.00 0.00 C ATOM 1137 CD1 LEU A 71 54.598 46.102 22.861 1.00 0.00 C ATOM 1138 CD2 LEU A 71 55.041 47.259 25.003 1.00 0.00 C ATOM 0 H LEU A 71 55.925 44.544 26.548 1.00 0.00 H new ATOM 0 HA LEU A 71 55.529 43.780 23.733 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.297 45.867 25.004 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.385 45.384 23.321 1.00 0.00 H new ATOM 0 HG LEU A 71 56.312 47.327 23.285 1.00 0.00 H new ATOM 0 HD11 LEU A 71 53.917 46.924 22.642 1.00 0.00 H new ATOM 0 HD12 LEU A 71 55.044 45.743 21.933 1.00 0.00 H new ATOM 0 HD13 LEU A 71 54.046 45.291 23.336 1.00 0.00 H new ATOM 0 HD21 LEU A 71 54.340 48.019 24.658 1.00 0.00 H new ATOM 0 HD22 LEU A 71 54.507 46.512 25.590 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.807 47.727 25.622 1.00 0.00 H new ATOM 1150 N ARG A 72 57.602 42.382 23.558 1.00 0.00 N ATOM 1151 CA ARG A 72 58.761 41.522 23.424 1.00 0.00 C ATOM 1152 C ARG A 72 60.014 42.353 23.142 1.00 0.00 C ATOM 1153 O ARG A 72 60.347 42.615 21.988 1.00 0.00 O ATOM 1154 CB ARG A 72 58.518 40.463 22.353 1.00 0.00 C ATOM 1155 CG ARG A 72 57.498 39.423 22.810 1.00 0.00 C ATOM 1156 CD ARG A 72 57.347 38.319 21.767 1.00 0.00 C ATOM 1157 NE ARG A 72 56.595 37.188 22.311 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.550 36.552 21.764 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.952 36.964 20.637 1.00 0.00 N ATOM 1160 NH2 ARG A 72 55.067 35.455 22.363 1.00 0.00 N ATOM 0 H ARG A 72 57.006 42.386 22.730 1.00 0.00 H new ATOM 0 HA ARG A 72 58.927 40.998 24.365 1.00 0.00 H new ATOM 0 HB2 ARG A 72 58.165 40.943 21.440 1.00 0.00 H new ATOM 0 HB3 ARG A 72 59.458 39.968 22.110 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.812 38.991 23.760 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.534 39.903 22.981 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.837 38.711 20.887 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.332 37.984 21.441 1.00 0.00 H new ATOM 0 HE ARG A 72 56.904 36.841 23.219 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.290 37.797 20.156 1.00 0.00 H new ATOM 0 HH12 ARG A 72 54.159 36.444 20.261 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.494 35.114 23.224 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.272 34.961 21.958 1.00 0.00 H new ATOM 1174 N LEU A 73 60.715 42.769 24.194 1.00 0.00 N ATOM 1175 CA LEU A 73 61.892 43.609 24.114 1.00 0.00 C ATOM 1176 C LEU A 73 63.029 43.007 23.287 1.00 0.00 C ATOM 1177 O LEU A 73 63.788 43.754 22.674 1.00 0.00 O ATOM 1178 CB LEU A 73 62.342 43.943 25.534 1.00 0.00 C ATOM 1179 CG LEU A 73 63.310 45.118 25.638 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.635 46.444 25.303 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.863 45.216 27.057 1.00 0.00 C ATOM 0 H LEU A 73 60.466 42.520 25.151 1.00 0.00 H new ATOM 0 HA LEU A 73 61.620 44.519 23.578 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.461 44.162 26.137 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.815 43.061 25.967 1.00 0.00 H new ATOM 0 HG LEU A 73 64.109 44.935 24.920 1.00 0.00 H new ATOM 0 HD11 LEU A 73 63.360 47.253 25.390 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.250 46.409 24.284 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.812 46.619 25.996 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.553 46.057 27.121 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.042 45.366 27.758 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.390 44.295 27.307 1.00 0.00 H new ATOM 1193 N ARG A 74 63.116 41.682 23.192 1.00 0.00 N ATOM 1194 CA ARG A 74 64.065 40.945 22.384 1.00 0.00 C ATOM 1195 C ARG A 74 63.471 40.373 21.095 1.00 0.00 C ATOM 1196 O ARG A 74 64.144 39.625 20.389 1.00 0.00 O ATOM 1197 CB ARG A 74 64.739 39.879 23.244 1.00 0.00 C ATOM 1198 CG ARG A 74 65.553 40.477 24.386 1.00 0.00 C ATOM 1199 CD ARG A 74 66.188 39.382 25.237 1.00 0.00 C ATOM 1200 NE ARG A 74 67.084 39.949 26.244 1.00 0.00 N ATOM 1201 CZ ARG A 74 68.207 39.399 26.729 1.00 0.00 C ATOM 1202 NH1 ARG A 74 68.652 38.178 26.404 1.00 0.00 N ATOM 1203 NH2 ARG A 74 68.970 40.093 27.585 1.00 0.00 N ATOM 0 H ARG A 74 62.488 41.066 23.708 1.00 0.00 H new ATOM 0 HA ARG A 74 64.819 41.650 22.035 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.979 39.214 23.654 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.391 39.270 22.617 1.00 0.00 H new ATOM 0 HG2 ARG A 74 66.331 41.126 23.982 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.910 41.099 25.008 1.00 0.00 H new ATOM 0 HD2 ARG A 74 65.408 38.800 25.727 1.00 0.00 H new ATOM 0 HD3 ARG A 74 66.743 38.696 24.597 1.00 0.00 H new ATOM 0 HE ARG A 74 66.827 40.862 26.618 1.00 0.00 H new ATOM 0 HH11 ARG A 74 68.126 37.602 25.747 1.00 0.00 H new ATOM 0 HH12 ARG A 74 69.517 37.825 26.814 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.696 41.035 27.865 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.825 39.679 27.957 1.00 0.00 H new ATOM 1217 N GLY A 75 62.232 40.723 20.766 1.00 0.00 N ATOM 1218 CA GLY A 75 61.459 40.197 19.658 1.00 0.00 C ATOM 1219 C GLY A 75 61.637 40.875 18.299 1.00 0.00 C ATOM 1220 O GLY A 75 60.749 40.740 17.459 1.00 0.00 O ATOM 0 H GLY A 75 61.715 41.422 21.299 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.706 39.142 19.544 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.404 40.250 19.927 1.00 0.00 H new ATOM 1224 N GLY A 76 62.713 41.622 18.076 1.00 0.00 N ATOM 1225 CA GLY A 76 62.967 42.409 16.885 1.00 0.00 C ATOM 1226 C GLY A 76 63.129 41.621 15.584 1.00 0.00 C ATOM 1227 O GLY A 76 63.559 40.448 15.638 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.863 42.190 14.505 1.00 0.00 O ATOM 0 H GLY A 76 63.467 41.695 18.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.147 43.116 16.759 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.872 42.995 17.047 1.00 0.00 H new TER 1232 GLY A 76