USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 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 60 ASN : amide:sc= 0.752 K(o=1.6,f=-0.79) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.863 K(o=1.6,f=-0.42) USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0.03 USER MOD Set 2.2: A 33 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.14) USER MOD Set 3.1: A 7 THR OG1 : rot -67:sc= 1.37 USER MOD Set 3.2: A 9 THR OG1 : rot 2:sc= 0.00439 USER MOD Single : A 1 MET CE :methyl 172:sc= 0 (180deg=-0.0776) USER MOD Single : A 1 MET N :NH3+ -158:sc= 2.22 (180deg=1.37) USER MOD Single : A 2 GLN : amide:sc= 0.585 K(o=0.59,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -145:sc= 0.214 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc=-0.00489 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 25 ASN : amide:sc= 1.08 K(o=1.1,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 0.851 (180deg=0.697) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 1.22 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.62) USER MOD Single : A 40 GLN : amide:sc= 0.772 K(o=0.77,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.25 K(o=1.2,f=-3.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.794 K(o=0.79,f=-4.9!) USER MOD Single : A 55 THR OG1 : rot -75:sc= 1.31 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -156:sc= 1.23 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 1.29 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 33.491 52.597 19.048 1.00 0.00 N ATOM 2 CA MET A 1 33.552 52.411 20.507 1.00 0.00 C ATOM 3 C MET A 1 34.975 52.677 21.000 1.00 0.00 C ATOM 4 O MET A 1 35.932 52.239 20.365 1.00 0.00 O ATOM 5 CB MET A 1 33.072 51.018 20.904 1.00 0.00 C ATOM 6 CG MET A 1 32.954 50.834 22.415 1.00 0.00 C ATOM 7 SD MET A 1 32.409 49.191 22.938 1.00 0.00 S ATOM 8 CE MET A 1 33.855 48.184 22.523 1.00 0.00 C ATOM 0 H1 MET A 1 32.509 52.787 18.763 1.00 0.00 H new ATOM 0 H2 MET A 1 34.092 53.401 18.775 1.00 0.00 H new ATOM 0 H3 MET A 1 33.829 51.735 18.574 1.00 0.00 H new ATOM 0 HA MET A 1 32.882 53.126 20.984 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.102 50.830 20.444 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.763 50.275 20.506 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.923 51.042 22.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.255 51.574 22.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.722 47.177 22.917 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.967 48.138 21.440 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.747 48.631 22.962 1.00 0.00 H new ATOM 20 N GLN A 2 35.115 53.360 22.132 1.00 0.00 N ATOM 21 CA GLN A 2 36.389 53.685 22.742 1.00 0.00 C ATOM 22 C GLN A 2 36.856 52.578 23.689 1.00 0.00 C ATOM 23 O GLN A 2 36.082 52.093 24.512 1.00 0.00 O ATOM 24 CB GLN A 2 36.269 55.045 23.425 1.00 0.00 C ATOM 25 CG GLN A 2 37.503 55.489 24.205 1.00 0.00 C ATOM 26 CD GLN A 2 37.481 56.990 24.499 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.257 57.757 23.931 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.597 57.497 25.354 1.00 0.00 N ATOM 0 H GLN A 2 34.317 53.711 22.662 1.00 0.00 H new ATOM 0 HA GLN A 2 37.162 53.753 21.977 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.048 55.796 22.667 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.418 55.018 24.106 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.558 54.936 25.143 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.400 55.243 23.636 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.943 56.881 25.837 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.573 58.502 25.527 1.00 0.00 H new ATOM 37 N ILE A 3 38.140 52.242 23.622 1.00 0.00 N ATOM 38 CA ILE A 3 38.878 51.559 24.665 1.00 0.00 C ATOM 39 C ILE A 3 40.203 52.285 24.913 1.00 0.00 C ATOM 40 O ILE A 3 40.626 53.112 24.109 1.00 0.00 O ATOM 41 CB ILE A 3 39.075 50.073 24.380 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.893 49.823 23.116 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.735 49.343 24.363 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.247 48.357 22.875 1.00 0.00 C ATOM 0 H ILE A 3 38.713 52.449 22.804 1.00 0.00 H new ATOM 0 HA ILE A 3 38.283 51.594 25.578 1.00 0.00 H new ATOM 0 HB ILE A 3 39.665 49.658 25.197 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.335 50.196 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.815 50.402 23.173 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.900 48.285 24.158 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.248 49.453 25.332 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.099 49.768 23.587 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.828 48.269 21.957 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.834 47.982 23.713 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.332 47.772 22.783 1.00 0.00 H new ATOM 56 N PHE A 4 40.870 51.971 26.021 1.00 0.00 N ATOM 57 CA PHE A 4 42.140 52.551 26.405 1.00 0.00 C ATOM 58 C PHE A 4 43.217 51.470 26.525 1.00 0.00 C ATOM 59 O PHE A 4 42.935 50.353 26.954 1.00 0.00 O ATOM 60 CB PHE A 4 41.976 53.325 27.711 1.00 0.00 C ATOM 61 CG PHE A 4 41.028 54.498 27.637 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.517 55.783 27.378 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.656 54.307 27.840 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.645 56.878 27.344 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.779 55.397 27.785 1.00 0.00 C ATOM 66 CZ PHE A 4 39.271 56.685 27.539 1.00 0.00 C ATOM 0 H PHE A 4 40.525 51.284 26.692 1.00 0.00 H new ATOM 0 HA PHE A 4 42.465 53.246 25.631 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.624 52.639 28.482 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.954 53.686 28.028 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.572 55.931 27.203 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.273 53.317 28.039 1.00 0.00 H new ATOM 0 HE1 PHE A 4 41.031 57.871 27.168 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.720 55.244 27.933 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.594 57.526 27.500 1.00 0.00 H new ATOM 76 N VAL A 5 44.457 51.799 26.173 1.00 0.00 N ATOM 77 CA VAL A 5 45.598 50.914 26.289 1.00 0.00 C ATOM 78 C VAL A 5 46.726 51.630 27.034 1.00 0.00 C ATOM 79 O VAL A 5 47.188 52.681 26.595 1.00 0.00 O ATOM 80 CB VAL A 5 46.068 50.411 24.926 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.200 49.398 25.069 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.954 49.731 24.136 1.00 0.00 C ATOM 0 H VAL A 5 44.696 52.714 25.790 1.00 0.00 H new ATOM 0 HA VAL A 5 45.296 50.035 26.859 1.00 0.00 H new ATOM 0 HB VAL A 5 46.405 51.300 24.392 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.512 49.059 24.081 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.044 49.865 25.576 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.853 48.545 25.652 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.343 49.393 23.176 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.580 48.875 24.698 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.142 50.439 23.969 1.00 0.00 H new ATOM 92 N LYS A 6 47.166 51.060 28.152 1.00 0.00 N ATOM 93 CA LYS A 6 48.343 51.438 28.907 1.00 0.00 C ATOM 94 C LYS A 6 49.556 50.631 28.440 1.00 0.00 C ATOM 95 O LYS A 6 49.390 49.513 27.955 1.00 0.00 O ATOM 96 CB LYS A 6 48.059 51.265 30.395 1.00 0.00 C ATOM 97 CG LYS A 6 47.224 52.426 30.931 1.00 0.00 C ATOM 98 CD LYS A 6 47.005 52.299 32.436 1.00 0.00 C ATOM 99 CE LYS A 6 46.274 53.530 32.965 1.00 0.00 C ATOM 100 NZ LYS A 6 46.169 53.490 34.432 1.00 0.00 N ATOM 0 H LYS A 6 46.675 50.273 28.576 1.00 0.00 H new ATOM 0 HA LYS A 6 48.583 52.487 28.733 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.532 50.326 30.561 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.999 51.204 30.944 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.725 53.369 30.712 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.261 52.450 30.421 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.426 51.401 32.653 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.964 52.190 32.943 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.804 54.432 32.659 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.277 53.582 32.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.668 54.338 34.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.643 52.640 34.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.122 53.464 34.848 1.00 0.00 H new ATOM 114 N THR A 7 50.761 51.187 28.520 1.00 0.00 N ATOM 115 CA THR A 7 51.884 50.752 27.715 1.00 0.00 C ATOM 116 C THR A 7 53.197 50.582 28.481 1.00 0.00 C ATOM 117 O THR A 7 53.406 51.181 29.534 1.00 0.00 O ATOM 118 CB THR A 7 52.117 51.722 26.559 1.00 0.00 C ATOM 119 OG1 THR A 7 52.441 53.004 27.047 1.00 0.00 O ATOM 120 CG2 THR A 7 50.920 51.875 25.626 1.00 0.00 C ATOM 0 H THR A 7 50.981 51.957 29.152 1.00 0.00 H new ATOM 0 HA THR A 7 51.601 49.763 27.356 1.00 0.00 H new ATOM 0 HB THR A 7 52.938 51.287 25.989 1.00 0.00 H new ATOM 0 HG1 THR A 7 51.662 53.388 27.501 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.165 52.580 24.832 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.674 50.907 25.189 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.064 52.247 26.190 1.00 0.00 H new ATOM 128 N LEU A 8 54.131 49.814 27.925 1.00 0.00 N ATOM 129 CA LEU A 8 55.479 49.653 28.432 1.00 0.00 C ATOM 130 C LEU A 8 56.308 50.938 28.382 1.00 0.00 C ATOM 131 O LEU A 8 57.251 51.080 29.157 1.00 0.00 O ATOM 132 CB LEU A 8 56.126 48.517 27.645 1.00 0.00 C ATOM 133 CG LEU A 8 57.477 48.025 28.156 1.00 0.00 C ATOM 134 CD1 LEU A 8 57.389 47.428 29.558 1.00 0.00 C ATOM 135 CD2 LEU A 8 58.014 46.944 27.222 1.00 0.00 C ATOM 0 H LEU A 8 53.957 49.270 27.080 1.00 0.00 H new ATOM 0 HA LEU A 8 55.437 49.409 29.494 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.437 47.673 27.633 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.249 48.843 26.612 1.00 0.00 H new ATOM 0 HG LEU A 8 58.137 48.892 28.188 1.00 0.00 H new ATOM 0 HD11 LEU A 8 58.377 47.094 29.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 57.022 48.184 30.253 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.704 46.580 29.550 1.00 0.00 H new ATOM 0 HD21 LEU A 8 58.979 46.593 27.588 1.00 0.00 H new ATOM 0 HD22 LEU A 8 57.313 46.110 27.190 1.00 0.00 H new ATOM 0 HD23 LEU A 8 58.134 47.356 26.220 1.00 0.00 H new ATOM 147 N THR A 9 55.923 51.905 27.553 1.00 0.00 N ATOM 148 CA THR A 9 56.438 53.259 27.540 1.00 0.00 C ATOM 149 C THR A 9 55.716 54.207 28.500 1.00 0.00 C ATOM 150 O THR A 9 55.950 55.413 28.496 1.00 0.00 O ATOM 151 CB THR A 9 56.509 53.832 26.127 1.00 0.00 C ATOM 152 OG1 THR A 9 55.236 53.880 25.523 1.00 0.00 O ATOM 153 CG2 THR A 9 57.400 53.001 25.209 1.00 0.00 C ATOM 0 H THR A 9 55.209 51.752 26.841 1.00 0.00 H new ATOM 0 HA THR A 9 57.457 53.180 27.918 1.00 0.00 H new ATOM 0 HB THR A 9 56.922 54.834 26.245 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.561 53.558 26.156 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.418 53.449 24.216 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.412 52.973 25.613 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.008 51.986 25.142 1.00 0.00 H new ATOM 161 N GLY A 10 54.868 53.679 29.379 1.00 0.00 N ATOM 162 CA GLY A 10 54.357 54.357 30.552 1.00 0.00 C ATOM 163 C GLY A 10 53.279 55.411 30.295 1.00 0.00 C ATOM 164 O GLY A 10 53.055 56.247 31.167 1.00 0.00 O ATOM 0 H GLY A 10 54.508 52.729 29.284 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.952 53.609 31.233 1.00 0.00 H new ATOM 0 HA3 GLY A 10 55.192 54.836 31.064 1.00 0.00 H new ATOM 168 N LYS A 11 52.640 55.393 29.128 1.00 0.00 N ATOM 169 CA LYS A 11 51.571 56.292 28.741 1.00 0.00 C ATOM 170 C LYS A 11 50.298 55.549 28.334 1.00 0.00 C ATOM 171 O LYS A 11 50.352 54.385 27.943 1.00 0.00 O ATOM 172 CB LYS A 11 52.067 57.294 27.701 1.00 0.00 C ATOM 173 CG LYS A 11 52.689 56.758 26.414 1.00 0.00 C ATOM 174 CD LYS A 11 51.706 56.240 25.369 1.00 0.00 C ATOM 175 CE LYS A 11 52.405 55.733 24.110 1.00 0.00 C ATOM 176 NZ LYS A 11 52.924 56.808 23.250 1.00 0.00 N ATOM 0 H LYS A 11 52.868 54.719 28.398 1.00 0.00 H new ATOM 0 HA LYS A 11 51.275 56.871 29.616 1.00 0.00 H new ATOM 0 HB2 LYS A 11 51.225 57.928 27.424 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.804 57.936 28.184 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.286 57.551 25.963 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.375 55.951 26.672 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.113 55.434 25.801 1.00 0.00 H new ATOM 0 HD3 LYS A 11 51.013 57.037 25.100 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.229 55.081 24.400 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.705 55.126 23.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.835 56.528 22.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.379 57.678 23.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.925 56.978 23.473 1.00 0.00 H new ATOM 190 N THR A 12 49.155 56.230 28.378 1.00 0.00 N ATOM 191 CA THR A 12 47.892 55.724 27.880 1.00 0.00 C ATOM 192 C THR A 12 47.645 56.224 26.456 1.00 0.00 C ATOM 193 O THR A 12 47.921 57.383 26.151 1.00 0.00 O ATOM 194 CB THR A 12 46.721 56.096 28.785 1.00 0.00 C ATOM 195 OG1 THR A 12 47.011 55.744 30.119 1.00 0.00 O ATOM 196 CG2 THR A 12 45.432 55.363 28.422 1.00 0.00 C ATOM 0 H THR A 12 49.087 57.169 28.771 1.00 0.00 H new ATOM 0 HA THR A 12 47.960 54.636 27.873 1.00 0.00 H new ATOM 0 HB THR A 12 46.579 57.169 28.658 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.255 55.988 30.693 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.636 55.669 29.101 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.150 55.608 27.398 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.588 54.288 28.508 1.00 0.00 H new ATOM 204 N ILE A 13 47.092 55.371 25.598 1.00 0.00 N ATOM 205 CA ILE A 13 46.551 55.717 24.299 1.00 0.00 C ATOM 206 C ILE A 13 45.078 55.313 24.191 1.00 0.00 C ATOM 207 O ILE A 13 44.646 54.329 24.788 1.00 0.00 O ATOM 208 CB ILE A 13 47.379 55.149 23.150 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.379 53.624 23.109 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.793 55.722 23.195 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.160 53.011 21.950 1.00 0.00 C ATOM 0 H ILE A 13 47.008 54.376 25.805 1.00 0.00 H new ATOM 0 HA ILE A 13 46.608 56.802 24.209 1.00 0.00 H new ATOM 0 HB ILE A 13 46.906 55.460 22.218 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.794 53.250 24.045 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.347 53.277 23.056 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.378 55.312 22.372 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.749 56.807 23.104 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.263 55.457 24.142 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.102 51.924 22.006 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.734 53.349 21.005 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.203 53.322 22.009 1.00 0.00 H new ATOM 223 N THR A 14 44.308 56.062 23.408 1.00 0.00 N ATOM 224 CA THR A 14 42.968 55.706 22.984 1.00 0.00 C ATOM 225 C THR A 14 42.992 54.769 21.775 1.00 0.00 C ATOM 226 O THR A 14 43.925 54.821 20.975 1.00 0.00 O ATOM 227 CB THR A 14 42.165 56.952 22.624 1.00 0.00 C ATOM 228 OG1 THR A 14 42.925 57.776 21.768 1.00 0.00 O ATOM 229 CG2 THR A 14 41.795 57.785 23.848 1.00 0.00 C ATOM 0 H THR A 14 44.615 56.963 23.041 1.00 0.00 H new ATOM 0 HA THR A 14 42.496 55.193 23.822 1.00 0.00 H new ATOM 0 HB THR A 14 41.250 56.604 22.145 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.406 58.575 21.537 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.225 58.659 23.534 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.192 57.184 24.529 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.703 58.108 24.357 1.00 0.00 H new ATOM 237 N LEU A 15 41.967 53.937 21.614 1.00 0.00 N ATOM 238 CA LEU A 15 41.746 53.140 20.425 1.00 0.00 C ATOM 239 C LEU A 15 40.273 53.164 20.012 1.00 0.00 C ATOM 240 O LEU A 15 39.389 53.212 20.866 1.00 0.00 O ATOM 241 CB LEU A 15 42.247 51.723 20.686 1.00 0.00 C ATOM 242 CG LEU A 15 42.885 51.045 19.478 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.262 51.626 19.168 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.068 49.556 19.758 1.00 0.00 C ATOM 0 H LEU A 15 41.252 53.799 22.329 1.00 0.00 H new ATOM 0 HA LEU A 15 42.304 53.560 19.588 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.975 51.752 21.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.411 51.113 21.030 1.00 0.00 H new ATOM 0 HG LEU A 15 42.222 51.210 18.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.685 51.118 18.301 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.168 52.691 18.954 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.918 51.485 20.027 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.524 49.076 18.892 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.713 49.426 20.627 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.097 49.101 19.956 1.00 0.00 H new ATOM 256 N GLU A 16 39.995 53.124 18.712 1.00 0.00 N ATOM 257 CA GLU A 16 38.662 53.091 18.145 1.00 0.00 C ATOM 258 C GLU A 16 38.360 51.704 17.575 1.00 0.00 C ATOM 259 O GLU A 16 38.997 51.266 16.619 1.00 0.00 O ATOM 260 CB GLU A 16 38.533 54.196 17.101 1.00 0.00 C ATOM 261 CG GLU A 16 37.146 54.327 16.475 1.00 0.00 C ATOM 262 CD GLU A 16 36.047 54.675 17.480 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.911 54.180 17.317 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.296 55.435 18.441 1.00 0.00 O ATOM 0 H GLU A 16 40.726 53.113 18.001 1.00 0.00 H new ATOM 0 HA GLU A 16 37.919 53.277 18.920 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.799 55.146 17.564 1.00 0.00 H new ATOM 0 HB3 GLU A 16 39.258 54.014 16.308 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.177 55.096 15.703 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.890 53.390 15.981 1.00 0.00 H new ATOM 271 N VAL A 17 37.408 51.005 18.185 1.00 0.00 N ATOM 272 CA VAL A 17 37.053 49.632 17.887 1.00 0.00 C ATOM 273 C VAL A 17 35.545 49.455 17.702 1.00 0.00 C ATOM 274 O VAL A 17 34.743 50.241 18.200 1.00 0.00 O ATOM 275 CB VAL A 17 37.578 48.674 18.951 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.104 48.657 19.002 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.053 48.976 20.352 1.00 0.00 C ATOM 0 H VAL A 17 36.841 51.403 18.933 1.00 0.00 H new ATOM 0 HA VAL A 17 37.533 49.386 16.940 1.00 0.00 H new ATOM 0 HB VAL A 17 37.205 47.696 18.647 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.435 47.961 19.773 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.497 48.341 18.036 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.471 49.657 19.233 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.467 48.256 21.058 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.352 49.983 20.643 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.965 48.905 20.356 1.00 0.00 H new ATOM 287 N GLU A 18 35.154 48.375 17.031 1.00 0.00 N ATOM 288 CA GLU A 18 33.792 47.881 16.983 1.00 0.00 C ATOM 289 C GLU A 18 33.554 46.917 18.147 1.00 0.00 C ATOM 290 O GLU A 18 34.455 46.141 18.457 1.00 0.00 O ATOM 291 CB GLU A 18 33.568 47.212 15.630 1.00 0.00 C ATOM 292 CG GLU A 18 32.119 46.779 15.421 1.00 0.00 C ATOM 293 CD GLU A 18 31.858 46.191 14.033 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.825 46.550 13.427 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.609 45.301 13.578 1.00 0.00 O ATOM 0 H GLU A 18 35.803 47.804 16.489 1.00 0.00 H new ATOM 0 HA GLU A 18 33.077 48.697 17.087 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.855 47.901 14.836 1.00 0.00 H new ATOM 0 HB3 GLU A 18 34.219 46.342 15.547 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.855 46.039 16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.465 47.637 15.573 1.00 0.00 H new ATOM 302 N PRO A 19 32.374 46.854 18.756 1.00 0.00 N ATOM 303 CA PRO A 19 32.050 45.869 19.768 1.00 0.00 C ATOM 304 C PRO A 19 32.249 44.402 19.381 1.00 0.00 C ATOM 305 O PRO A 19 32.281 43.547 20.264 1.00 0.00 O ATOM 306 CB PRO A 19 30.591 46.119 20.134 1.00 0.00 C ATOM 307 CG PRO A 19 30.406 47.609 19.860 1.00 0.00 C ATOM 308 CD PRO A 19 31.299 47.819 18.639 1.00 0.00 C ATOM 0 HA PRO A 19 32.750 46.002 20.593 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.916 45.513 19.530 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.391 45.875 21.177 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.366 47.860 19.653 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.720 48.222 20.705 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.739 47.668 17.716 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.690 48.836 18.612 1.00 0.00 H new ATOM 316 N SER A 20 32.402 44.109 18.093 1.00 0.00 N ATOM 317 CA SER A 20 32.662 42.805 17.516 1.00 0.00 C ATOM 318 C SER A 20 34.003 42.719 16.783 1.00 0.00 C ATOM 319 O SER A 20 34.157 41.880 15.898 1.00 0.00 O ATOM 320 CB SER A 20 31.499 42.400 16.615 1.00 0.00 C ATOM 321 OG SER A 20 30.312 42.279 17.367 1.00 0.00 O ATOM 0 H SER A 20 32.342 44.834 17.378 1.00 0.00 H new ATOM 0 HA SER A 20 32.742 42.096 18.340 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.364 43.143 15.829 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.724 41.453 16.124 1.00 0.00 H new ATOM 0 HG SER A 20 29.575 42.020 16.775 1.00 0.00 H new ATOM 327 N ASP A 21 34.977 43.567 17.100 1.00 0.00 N ATOM 328 CA ASP A 21 36.330 43.436 16.597 1.00 0.00 C ATOM 329 C ASP A 21 37.057 42.220 17.173 1.00 0.00 C ATOM 330 O ASP A 21 36.811 41.795 18.300 1.00 0.00 O ATOM 331 CB ASP A 21 37.140 44.707 16.831 1.00 0.00 C ATOM 332 CG ASP A 21 37.134 45.680 15.650 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.083 45.217 14.492 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.254 46.908 15.856 1.00 0.00 O ATOM 0 H ASP A 21 34.843 44.368 17.717 1.00 0.00 H new ATOM 0 HA ASP A 21 36.241 43.278 15.522 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.748 45.218 17.710 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.171 44.432 17.055 1.00 0.00 H new ATOM 339 N THR A 22 37.990 41.676 16.397 1.00 0.00 N ATOM 340 CA THR A 22 38.899 40.619 16.792 1.00 0.00 C ATOM 341 C THR A 22 40.144 41.170 17.490 1.00 0.00 C ATOM 342 O THR A 22 40.519 42.324 17.296 1.00 0.00 O ATOM 343 CB THR A 22 39.310 39.751 15.606 1.00 0.00 C ATOM 344 OG1 THR A 22 40.034 40.504 14.658 1.00 0.00 O ATOM 345 CG2 THR A 22 38.130 39.122 14.870 1.00 0.00 C ATOM 0 H THR A 22 38.135 41.978 15.433 1.00 0.00 H new ATOM 0 HA THR A 22 38.354 39.996 17.502 1.00 0.00 H new ATOM 0 HB THR A 22 39.918 38.957 16.040 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.288 39.927 13.907 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.498 38.519 14.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.569 38.489 15.557 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.479 39.908 14.487 1.00 0.00 H new ATOM 353 N ILE A 23 40.836 40.335 18.261 1.00 0.00 N ATOM 354 CA ILE A 23 42.127 40.674 18.824 1.00 0.00 C ATOM 355 C ILE A 23 43.142 40.981 17.719 1.00 0.00 C ATOM 356 O ILE A 23 43.955 41.890 17.867 1.00 0.00 O ATOM 357 CB ILE A 23 42.594 39.577 19.777 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.694 39.414 20.999 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.038 39.762 20.236 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.419 40.675 21.815 1.00 0.00 C ATOM 0 H ILE A 23 40.510 39.401 18.510 1.00 0.00 H new ATOM 0 HA ILE A 23 42.033 41.586 19.413 1.00 0.00 H new ATOM 0 HB ILE A 23 42.531 38.665 19.184 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.739 39.007 20.667 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.145 38.672 21.658 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.312 38.951 20.911 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.699 39.752 19.370 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.135 40.715 20.755 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.769 40.430 22.655 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.360 41.078 22.190 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.932 41.418 21.184 1.00 0.00 H new ATOM 372 N GLU A 24 43.051 40.321 16.569 1.00 0.00 N ATOM 373 CA GLU A 24 43.845 40.627 15.396 1.00 0.00 C ATOM 374 C GLU A 24 43.635 42.056 14.889 1.00 0.00 C ATOM 375 O GLU A 24 44.605 42.718 14.531 1.00 0.00 O ATOM 376 CB GLU A 24 43.549 39.649 14.262 1.00 0.00 C ATOM 377 CG GLU A 24 43.660 38.167 14.609 1.00 0.00 C ATOM 378 CD GLU A 24 42.350 37.599 15.155 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.105 37.702 16.377 1.00 0.00 O ATOM 380 OE2 GLU A 24 41.559 37.049 14.358 1.00 0.00 O ATOM 0 H GLU A 24 42.407 39.542 16.429 1.00 0.00 H new ATOM 0 HA GLU A 24 44.885 40.530 15.709 1.00 0.00 H new ATOM 0 HB2 GLU A 24 42.540 39.842 13.897 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.231 39.861 13.439 1.00 0.00 H new ATOM 0 HG2 GLU A 24 43.953 37.609 13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.450 38.027 15.347 1.00 0.00 H new ATOM 387 N ASN A 25 42.401 42.553 14.899 1.00 0.00 N ATOM 388 CA ASN A 25 42.091 43.921 14.540 1.00 0.00 C ATOM 389 C ASN A 25 42.628 44.902 15.584 1.00 0.00 C ATOM 390 O ASN A 25 43.215 45.918 15.216 1.00 0.00 O ATOM 391 CB ASN A 25 40.589 44.112 14.351 1.00 0.00 C ATOM 392 CG ASN A 25 39.967 43.315 13.204 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.636 42.675 12.394 1.00 0.00 O ATOM 394 ND2 ASN A 25 38.640 43.342 13.101 1.00 0.00 N ATOM 0 H ASN A 25 41.582 42.004 15.161 1.00 0.00 H new ATOM 0 HA ASN A 25 42.584 44.131 13.591 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.085 43.837 15.278 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.393 45.171 14.184 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.176 42.831 12.350 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.087 43.873 13.774 1.00 0.00 H new ATOM 401 N VAL A 26 42.493 44.603 16.873 1.00 0.00 N ATOM 402 CA VAL A 26 43.056 45.409 17.938 1.00 0.00 C ATOM 403 C VAL A 26 44.576 45.517 17.802 1.00 0.00 C ATOM 404 O VAL A 26 45.113 46.623 17.843 1.00 0.00 O ATOM 405 CB VAL A 26 42.650 44.879 19.310 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.314 45.633 20.458 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.142 44.987 19.519 1.00 0.00 C ATOM 0 H VAL A 26 41.983 43.784 17.205 1.00 0.00 H new ATOM 0 HA VAL A 26 42.646 46.415 17.847 1.00 0.00 H new ATOM 0 HB VAL A 26 42.977 43.839 19.321 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.987 45.211 21.408 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.397 45.542 20.375 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.033 46.685 20.413 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.883 44.602 20.505 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.838 46.031 19.446 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.626 44.405 18.755 1.00 0.00 H new ATOM 417 N LYS A 27 45.271 44.412 17.550 1.00 0.00 N ATOM 418 CA LYS A 27 46.703 44.389 17.330 1.00 0.00 C ATOM 419 C LYS A 27 47.120 45.175 16.084 1.00 0.00 C ATOM 420 O LYS A 27 48.114 45.897 16.125 1.00 0.00 O ATOM 421 CB LYS A 27 47.197 42.949 17.255 1.00 0.00 C ATOM 422 CG LYS A 27 47.183 42.249 18.612 1.00 0.00 C ATOM 423 CD LYS A 27 47.430 40.746 18.519 1.00 0.00 C ATOM 424 CE LYS A 27 48.724 40.415 17.779 1.00 0.00 C ATOM 425 NZ LYS A 27 48.990 38.969 17.764 1.00 0.00 N ATOM 0 H LYS A 27 44.839 43.490 17.493 1.00 0.00 H new ATOM 0 HA LYS A 27 47.171 44.886 18.180 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.573 42.391 16.557 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.211 42.938 16.855 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.944 42.696 19.252 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.220 42.423 19.093 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.470 40.324 19.523 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.591 40.273 18.008 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.662 40.784 16.755 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.557 40.933 18.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.938 38.795 17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.940 38.597 18.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.280 38.491 17.173 1.00 0.00 H new ATOM 439 N ALA A 28 46.354 45.097 14.999 1.00 0.00 N ATOM 440 CA ALA A 28 46.599 45.865 13.796 1.00 0.00 C ATOM 441 C ALA A 28 46.404 47.369 14.004 1.00 0.00 C ATOM 442 O ALA A 28 47.176 48.170 13.483 1.00 0.00 O ATOM 443 CB ALA A 28 45.709 45.331 12.676 1.00 0.00 C ATOM 0 H ALA A 28 45.537 44.489 14.937 1.00 0.00 H new ATOM 0 HA ALA A 28 47.646 45.743 13.518 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.887 45.904 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.941 44.281 12.496 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.663 45.426 12.966 1.00 0.00 H new ATOM 449 N LYS A 29 45.429 47.771 14.814 1.00 0.00 N ATOM 450 CA LYS A 29 45.179 49.150 15.185 1.00 0.00 C ATOM 451 C LYS A 29 46.295 49.729 16.057 1.00 0.00 C ATOM 452 O LYS A 29 46.693 50.873 15.845 1.00 0.00 O ATOM 453 CB LYS A 29 43.812 49.249 15.854 1.00 0.00 C ATOM 454 CG LYS A 29 42.671 49.132 14.847 1.00 0.00 C ATOM 455 CD LYS A 29 41.328 48.884 15.527 1.00 0.00 C ATOM 456 CE LYS A 29 40.197 48.846 14.503 1.00 0.00 C ATOM 457 NZ LYS A 29 39.726 50.194 14.150 1.00 0.00 N ATOM 0 H LYS A 29 44.772 47.119 15.242 1.00 0.00 H new ATOM 0 HA LYS A 29 45.172 49.760 14.281 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.717 48.462 16.602 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.734 50.200 16.380 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.614 50.046 14.256 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.882 48.317 14.154 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.361 47.941 16.073 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.136 49.669 16.258 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.540 48.335 13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.366 48.265 14.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.914 50.120 13.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.438 50.698 15.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.493 50.718 13.683 1.00 0.00 H new ATOM 471 N ILE A 30 46.837 48.935 16.975 1.00 0.00 N ATOM 472 CA ILE A 30 48.002 49.272 17.768 1.00 0.00 C ATOM 473 C ILE A 30 49.255 49.369 16.896 1.00 0.00 C ATOM 474 O ILE A 30 50.036 50.305 17.060 1.00 0.00 O ATOM 475 CB ILE A 30 48.153 48.279 18.917 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.020 48.463 19.922 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.499 48.407 19.625 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.893 47.325 20.929 1.00 0.00 C ATOM 0 H ILE A 30 46.462 48.011 17.190 1.00 0.00 H new ATOM 0 HA ILE A 30 47.864 50.260 18.207 1.00 0.00 H new ATOM 0 HB ILE A 30 48.106 47.279 18.485 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.176 49.397 20.462 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.080 48.561 19.380 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.555 47.679 20.434 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.304 48.222 18.913 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.601 49.412 20.034 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.066 47.531 21.608 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.705 46.391 20.400 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.818 47.239 21.500 1.00 0.00 H new ATOM 490 N GLN A 31 49.430 48.481 15.922 1.00 0.00 N ATOM 491 CA GLN A 31 50.491 48.564 14.939 1.00 0.00 C ATOM 492 C GLN A 31 50.448 49.892 14.180 1.00 0.00 C ATOM 493 O GLN A 31 51.488 50.536 14.060 1.00 0.00 O ATOM 494 CB GLN A 31 50.451 47.328 14.045 1.00 0.00 C ATOM 495 CG GLN A 31 50.999 47.455 12.626 1.00 0.00 C ATOM 496 CD GLN A 31 52.422 48.004 12.516 1.00 0.00 C ATOM 497 OE1 GLN A 31 53.343 47.660 13.253 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.664 48.907 11.570 1.00 0.00 N ATOM 0 H GLN A 31 48.824 47.670 15.797 1.00 0.00 H new ATOM 0 HA GLN A 31 51.461 48.563 15.436 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.004 46.534 14.547 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.414 46.999 13.975 1.00 0.00 H new ATOM 0 HG2 GLN A 31 50.970 46.473 12.155 1.00 0.00 H new ATOM 0 HG3 GLN A 31 50.333 48.102 12.055 1.00 0.00 H new ATOM 0 HE21 GLN A 31 51.914 49.207 10.947 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.600 49.300 11.467 1.00 0.00 H new ATOM 507 N ASP A 32 49.292 50.364 13.722 1.00 0.00 N ATOM 508 CA ASP A 32 49.218 51.645 13.049 1.00 0.00 C ATOM 509 C ASP A 32 49.576 52.813 13.970 1.00 0.00 C ATOM 510 O ASP A 32 50.408 53.641 13.605 1.00 0.00 O ATOM 511 CB ASP A 32 47.846 51.834 12.407 1.00 0.00 C ATOM 512 CG ASP A 32 47.884 52.930 11.341 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.366 52.653 10.222 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.456 54.073 11.613 1.00 0.00 O ATOM 0 H ASP A 32 48.400 49.876 13.807 1.00 0.00 H new ATOM 0 HA ASP A 32 49.969 51.641 12.259 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.519 50.896 11.958 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.115 52.092 13.173 1.00 0.00 H new ATOM 519 N LYS A 33 48.997 52.864 15.166 1.00 0.00 N ATOM 520 CA LYS A 33 49.096 53.989 16.074 1.00 0.00 C ATOM 521 C LYS A 33 50.408 54.089 16.855 1.00 0.00 C ATOM 522 O LYS A 33 50.849 55.200 17.142 1.00 0.00 O ATOM 523 CB LYS A 33 47.863 53.998 16.972 1.00 0.00 C ATOM 524 CG LYS A 33 47.816 55.217 17.890 1.00 0.00 C ATOM 525 CD LYS A 33 46.433 55.474 18.483 1.00 0.00 C ATOM 526 CE LYS A 33 46.484 56.736 19.338 1.00 0.00 C ATOM 527 NZ LYS A 33 45.166 57.070 19.901 1.00 0.00 N ATOM 0 H LYS A 33 48.431 52.100 15.535 1.00 0.00 H new ATOM 0 HA LYS A 33 49.121 54.894 15.467 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.966 53.979 16.352 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.852 53.091 17.577 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.532 55.080 18.701 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.133 56.097 17.330 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.698 55.589 17.687 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.119 54.623 19.087 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.200 56.597 20.148 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.843 57.570 18.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.287 57.714 20.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.585 57.533 19.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.694 56.200 20.219 1.00 0.00 H new ATOM 541 N GLU A 34 51.050 52.980 17.211 1.00 0.00 N ATOM 542 CA GLU A 34 52.316 52.953 17.916 1.00 0.00 C ATOM 543 C GLU A 34 53.498 52.481 17.067 1.00 0.00 C ATOM 544 O GLU A 34 54.633 52.801 17.411 1.00 0.00 O ATOM 545 CB GLU A 34 52.213 52.094 19.174 1.00 0.00 C ATOM 546 CG GLU A 34 51.591 52.811 20.368 1.00 0.00 C ATOM 547 CD GLU A 34 52.512 53.902 20.920 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.600 53.597 21.453 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.172 55.098 20.793 1.00 0.00 O ATOM 0 H GLU A 34 50.687 52.049 17.008 1.00 0.00 H new ATOM 0 HA GLU A 34 52.521 53.990 18.181 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.621 51.207 18.948 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.210 51.750 19.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.640 53.254 20.071 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.374 52.087 21.154 1.00 0.00 H new ATOM 556 N GLY A 35 53.292 51.730 15.988 1.00 0.00 N ATOM 557 CA GLY A 35 54.370 51.166 15.203 1.00 0.00 C ATOM 558 C GLY A 35 54.979 49.889 15.787 1.00 0.00 C ATOM 559 O GLY A 35 56.140 49.602 15.507 1.00 0.00 O ATOM 0 H GLY A 35 52.363 51.498 15.637 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.999 50.951 14.201 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.156 51.914 15.098 1.00 0.00 H new ATOM 563 N ILE A 36 54.238 49.145 16.604 1.00 0.00 N ATOM 564 CA ILE A 36 54.681 47.916 17.229 1.00 0.00 C ATOM 565 C ILE A 36 54.211 46.728 16.387 1.00 0.00 C ATOM 566 O ILE A 36 53.000 46.529 16.312 1.00 0.00 O ATOM 567 CB ILE A 36 54.180 47.821 18.667 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.656 48.987 19.530 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.657 46.509 19.283 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.855 49.160 20.817 1.00 0.00 C ATOM 0 H ILE A 36 53.281 49.395 16.853 1.00 0.00 H new ATOM 0 HA ILE A 36 55.770 47.904 17.275 1.00 0.00 H new ATOM 0 HB ILE A 36 53.091 47.860 18.637 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.706 48.837 19.782 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.597 49.907 18.948 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.300 46.439 20.311 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.265 45.672 18.705 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.747 46.478 19.274 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.249 50.007 21.380 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.808 49.342 20.573 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.935 48.255 21.420 1.00 0.00 H new ATOM 582 N PRO A 37 55.088 45.915 15.805 1.00 0.00 N ATOM 583 CA PRO A 37 54.696 44.843 14.913 1.00 0.00 C ATOM 584 C PRO A 37 53.780 43.810 15.573 1.00 0.00 C ATOM 585 O PRO A 37 54.079 43.391 16.689 1.00 0.00 O ATOM 586 CB PRO A 37 55.993 44.209 14.417 1.00 0.00 C ATOM 587 CG PRO A 37 57.012 45.340 14.533 1.00 0.00 C ATOM 588 CD PRO A 37 56.529 46.072 15.782 1.00 0.00 C ATOM 0 HA PRO A 37 54.102 45.242 14.091 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.277 43.349 15.024 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.900 43.857 13.390 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.029 44.964 14.648 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.008 45.985 13.654 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.982 45.652 16.680 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.806 47.126 15.748 1.00 0.00 H new ATOM 596 N PRO A 38 52.703 43.352 14.943 1.00 0.00 N ATOM 597 CA PRO A 38 51.709 42.510 15.579 1.00 0.00 C ATOM 598 C PRO A 38 52.221 41.212 16.207 1.00 0.00 C ATOM 599 O PRO A 38 51.687 40.803 17.236 1.00 0.00 O ATOM 600 CB PRO A 38 50.657 42.210 14.516 1.00 0.00 C ATOM 601 CG PRO A 38 50.718 43.448 13.626 1.00 0.00 C ATOM 602 CD PRO A 38 52.207 43.785 13.652 1.00 0.00 C ATOM 0 HA PRO A 38 51.318 43.059 16.436 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.889 41.301 13.962 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.668 42.073 14.952 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.364 43.242 12.616 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.108 44.262 14.018 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.734 43.278 12.844 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.365 44.855 13.514 1.00 0.00 H new ATOM 610 N ASP A 39 53.255 40.577 15.662 1.00 0.00 N ATOM 611 CA ASP A 39 53.780 39.339 16.201 1.00 0.00 C ATOM 612 C ASP A 39 54.492 39.503 17.545 1.00 0.00 C ATOM 613 O ASP A 39 54.738 38.514 18.232 1.00 0.00 O ATOM 614 CB ASP A 39 54.727 38.669 15.210 1.00 0.00 C ATOM 615 CG ASP A 39 54.091 38.347 13.857 1.00 0.00 C ATOM 616 OD1 ASP A 39 53.080 37.615 13.794 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.596 38.842 12.825 1.00 0.00 O ATOM 0 H ASP A 39 53.748 40.911 14.834 1.00 0.00 H new ATOM 0 HA ASP A 39 52.907 38.709 16.373 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.587 39.319 15.049 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.103 37.746 15.651 1.00 0.00 H new ATOM 622 N GLN A 40 54.832 40.732 17.927 1.00 0.00 N ATOM 623 CA GLN A 40 55.591 41.075 19.113 1.00 0.00 C ATOM 624 C GLN A 40 54.729 41.646 20.241 1.00 0.00 C ATOM 625 O GLN A 40 55.244 41.901 21.327 1.00 0.00 O ATOM 626 CB GLN A 40 56.693 42.053 18.718 1.00 0.00 C ATOM 627 CG GLN A 40 57.794 41.387 17.897 1.00 0.00 C ATOM 628 CD GLN A 40 58.714 42.413 17.232 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.794 42.502 16.008 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.451 43.221 17.987 1.00 0.00 N ATOM 0 H GLN A 40 54.568 41.554 17.384 1.00 0.00 H new ATOM 0 HA GLN A 40 56.021 40.157 19.514 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.260 42.872 18.144 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.127 42.489 19.617 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.384 40.736 18.542 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.344 40.755 17.132 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.396 43.160 19.004 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.071 43.902 17.550 1.00 0.00 H new ATOM 639 N GLN A 41 53.434 41.855 20.028 1.00 0.00 N ATOM 640 CA GLN A 41 52.537 42.428 21.012 1.00 0.00 C ATOM 641 C GLN A 41 52.018 41.373 21.990 1.00 0.00 C ATOM 642 O GLN A 41 51.673 40.271 21.568 1.00 0.00 O ATOM 643 CB GLN A 41 51.359 43.116 20.329 1.00 0.00 C ATOM 644 CG GLN A 41 51.727 44.287 19.423 1.00 0.00 C ATOM 645 CD GLN A 41 50.500 44.904 18.748 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.377 44.826 19.241 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.637 45.539 17.588 1.00 0.00 N ATOM 0 H GLN A 41 52.974 41.624 19.147 1.00 0.00 H new ATOM 0 HA GLN A 41 53.109 43.164 21.577 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.819 42.376 19.738 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.673 43.473 21.097 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.239 45.050 20.009 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.427 43.947 18.660 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.558 45.619 17.156 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.822 45.946 17.130 1.00 0.00 H new ATOM 656 N ARG A 42 51.867 41.716 23.266 1.00 0.00 N ATOM 657 CA ARG A 42 51.082 40.985 24.240 1.00 0.00 C ATOM 658 C ARG A 42 50.077 41.928 24.904 1.00 0.00 C ATOM 659 O ARG A 42 50.474 42.994 25.370 1.00 0.00 O ATOM 660 CB ARG A 42 51.999 40.358 25.286 1.00 0.00 C ATOM 661 CG ARG A 42 51.290 39.422 26.260 1.00 0.00 C ATOM 662 CD ARG A 42 52.037 39.262 27.580 1.00 0.00 C ATOM 663 NE ARG A 42 53.428 38.846 27.398 1.00 0.00 N ATOM 664 CZ ARG A 42 53.922 37.600 27.412 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.163 36.506 27.563 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.242 37.417 27.276 1.00 0.00 N ATOM 0 H ARG A 42 52.309 42.546 23.660 1.00 0.00 H new ATOM 0 HA ARG A 42 50.536 40.187 23.737 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.787 39.804 24.776 1.00 0.00 H new ATOM 0 HB3 ARG A 42 52.483 41.154 25.852 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.289 39.804 26.459 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.171 38.444 25.795 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.013 40.207 28.122 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.521 38.527 28.198 1.00 0.00 H new ATOM 0 HE ARG A 42 54.103 39.594 27.242 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.153 36.597 27.675 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.595 35.582 27.566 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.859 38.221 27.163 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.630 36.474 27.285 1.00 0.00 H new ATOM 680 N LEU A 43 48.815 41.518 24.991 1.00 0.00 N ATOM 681 CA LEU A 43 47.751 42.263 25.633 1.00 0.00 C ATOM 682 C LEU A 43 47.205 41.543 26.868 1.00 0.00 C ATOM 683 O LEU A 43 46.848 40.368 26.799 1.00 0.00 O ATOM 684 CB LEU A 43 46.644 42.552 24.623 1.00 0.00 C ATOM 685 CG LEU A 43 47.001 43.581 23.555 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.946 43.571 22.452 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.067 44.995 24.129 1.00 0.00 C ATOM 0 H LEU A 43 48.501 40.629 24.602 1.00 0.00 H new ATOM 0 HA LEU A 43 48.164 43.208 25.987 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.369 41.619 24.131 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.763 42.900 25.162 1.00 0.00 H new ATOM 0 HG LEU A 43 47.981 43.309 23.163 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.207 44.308 21.692 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.904 42.581 21.998 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.973 43.817 22.877 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.324 45.698 23.336 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.098 45.262 24.551 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.826 45.036 24.910 1.00 0.00 H new ATOM 699 N ILE A 44 47.117 42.265 27.982 1.00 0.00 N ATOM 700 CA ILE A 44 46.576 41.828 29.252 1.00 0.00 C ATOM 701 C ILE A 44 45.312 42.620 29.590 1.00 0.00 C ATOM 702 O ILE A 44 45.260 43.837 29.432 1.00 0.00 O ATOM 703 CB ILE A 44 47.611 41.917 30.371 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.964 41.286 30.057 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.067 41.329 31.669 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.956 39.791 29.755 1.00 0.00 C ATOM 0 H ILE A 44 47.444 43.231 28.017 1.00 0.00 H new ATOM 0 HA ILE A 44 46.306 40.776 29.160 1.00 0.00 H new ATOM 0 HB ILE A 44 47.795 42.986 30.480 1.00 0.00 H new ATOM 0 HG12 ILE A 44 49.394 41.806 29.201 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.628 41.461 30.903 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.825 41.405 32.449 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.177 41.880 31.973 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.810 40.281 31.514 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.972 39.456 29.547 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.564 39.248 30.615 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.326 39.599 28.886 1.00 0.00 H new ATOM 718 N PHE A 45 44.287 41.920 30.070 1.00 0.00 N ATOM 719 CA PHE A 45 42.992 42.439 30.460 1.00 0.00 C ATOM 720 C PHE A 45 42.539 41.778 31.765 1.00 0.00 C ATOM 721 O PHE A 45 42.415 40.558 31.830 1.00 0.00 O ATOM 722 CB PHE A 45 42.012 42.156 29.326 1.00 0.00 C ATOM 723 CG PHE A 45 40.563 42.457 29.625 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.115 43.781 29.698 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.662 41.406 29.830 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.768 44.054 29.965 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.313 41.677 30.091 1.00 0.00 C ATOM 728 CZ PHE A 45 37.866 43.001 30.167 1.00 0.00 C ATOM 0 H PHE A 45 44.350 40.911 30.203 1.00 0.00 H new ATOM 0 HA PHE A 45 43.041 43.513 30.637 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.313 42.739 28.456 1.00 0.00 H new ATOM 0 HB3 PHE A 45 42.097 41.105 29.051 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.810 44.594 29.548 1.00 0.00 H new ATOM 0 HD2 PHE A 45 40.008 40.384 29.787 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.424 45.077 30.015 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.617 40.864 30.234 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.828 43.211 30.381 1.00 0.00 H new ATOM 738 N ALA A 46 42.298 42.566 32.810 1.00 0.00 N ATOM 739 CA ALA A 46 41.901 42.101 34.123 1.00 0.00 C ATOM 740 C ALA A 46 42.792 40.996 34.694 1.00 0.00 C ATOM 741 O ALA A 46 42.316 40.015 35.262 1.00 0.00 O ATOM 742 CB ALA A 46 40.411 41.772 34.092 1.00 0.00 C ATOM 0 H ALA A 46 42.379 43.581 32.757 1.00 0.00 H new ATOM 0 HA ALA A 46 42.057 42.904 34.844 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.096 41.420 35.074 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.846 42.666 33.829 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.225 40.994 33.351 1.00 0.00 H new ATOM 748 N GLY A 47 44.101 41.115 34.491 1.00 0.00 N ATOM 749 CA GLY A 47 45.110 40.146 34.867 1.00 0.00 C ATOM 750 C GLY A 47 45.203 38.889 34.000 1.00 0.00 C ATOM 751 O GLY A 47 46.071 38.057 34.257 1.00 0.00 O ATOM 0 H GLY A 47 44.501 41.935 34.035 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.081 40.642 34.855 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.922 39.838 35.896 1.00 0.00 H new ATOM 755 N LYS A 48 44.364 38.735 32.981 1.00 0.00 N ATOM 756 CA LYS A 48 44.322 37.611 32.066 1.00 0.00 C ATOM 757 C LYS A 48 44.910 37.992 30.706 1.00 0.00 C ATOM 758 O LYS A 48 44.750 39.123 30.252 1.00 0.00 O ATOM 759 CB LYS A 48 42.885 37.126 31.898 1.00 0.00 C ATOM 760 CG LYS A 48 42.224 36.667 33.194 1.00 0.00 C ATOM 761 CD LYS A 48 40.778 36.226 32.984 1.00 0.00 C ATOM 762 CE LYS A 48 39.861 37.409 32.682 1.00 0.00 C ATOM 763 NZ LYS A 48 38.500 36.960 32.351 1.00 0.00 N ATOM 0 H LYS A 48 43.655 39.435 32.763 1.00 0.00 H new ATOM 0 HA LYS A 48 44.925 36.805 32.486 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.290 37.930 31.465 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.873 36.301 31.185 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.795 35.841 33.617 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.252 37.479 33.920 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.732 35.512 32.162 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.423 35.709 33.876 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.827 38.075 33.544 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.268 37.985 31.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.901 37.786 32.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 38.532 36.344 31.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 38.104 36.432 33.154 1.00 0.00 H new ATOM 777 N GLN A 49 45.563 37.060 30.017 1.00 0.00 N ATOM 778 CA GLN A 49 46.136 37.297 28.708 1.00 0.00 C ATOM 779 C GLN A 49 45.102 37.116 27.595 1.00 0.00 C ATOM 780 O GLN A 49 44.309 36.177 27.603 1.00 0.00 O ATOM 781 CB GLN A 49 47.390 36.445 28.531 1.00 0.00 C ATOM 782 CG GLN A 49 48.166 36.773 27.259 1.00 0.00 C ATOM 783 CD GLN A 49 49.552 36.126 27.225 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.372 36.280 28.127 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.902 35.405 26.164 1.00 0.00 N ATOM 0 H GLN A 49 45.707 36.111 30.361 1.00 0.00 H new ATOM 0 HA GLN A 49 46.446 38.339 28.633 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.042 36.586 29.393 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.107 35.393 28.515 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.593 36.439 26.394 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.273 37.854 27.173 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.238 35.263 25.402 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.834 34.994 26.112 1.00 0.00 H new ATOM 794 N LEU A 50 45.110 38.023 26.622 1.00 0.00 N ATOM 795 CA LEU A 50 44.289 37.959 25.429 1.00 0.00 C ATOM 796 C LEU A 50 45.018 37.230 24.298 1.00 0.00 C ATOM 797 O LEU A 50 46.237 37.323 24.174 1.00 0.00 O ATOM 798 CB LEU A 50 43.870 39.363 25.007 1.00 0.00 C ATOM 799 CG LEU A 50 43.080 40.149 26.050 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.719 41.515 25.475 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.783 39.452 26.451 1.00 0.00 C ATOM 0 H LEU A 50 45.710 38.848 26.649 1.00 0.00 H new ATOM 0 HA LEU A 50 43.389 37.387 25.655 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.765 39.930 24.750 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.269 39.288 24.101 1.00 0.00 H new ATOM 0 HG LEU A 50 43.711 40.234 26.935 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.154 42.083 26.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.631 42.055 25.221 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.114 41.384 24.578 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.261 40.054 27.195 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.149 39.330 25.573 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.011 38.473 26.872 1.00 0.00 H new ATOM 813 N GLU A 51 44.273 36.509 23.466 1.00 0.00 N ATOM 814 CA GLU A 51 44.804 35.660 22.418 1.00 0.00 C ATOM 815 C GLU A 51 44.017 35.816 21.116 1.00 0.00 C ATOM 816 O GLU A 51 42.791 35.896 21.135 1.00 0.00 O ATOM 817 CB GLU A 51 44.800 34.222 22.934 1.00 0.00 C ATOM 818 CG GLU A 51 45.605 33.234 22.095 1.00 0.00 C ATOM 819 CD GLU A 51 45.447 31.825 22.668 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.680 31.026 22.086 1.00 0.00 O ATOM 821 OE2 GLU A 51 46.050 31.524 23.721 1.00 0.00 O ATOM 0 H GLU A 51 43.254 36.503 23.508 1.00 0.00 H new ATOM 0 HA GLU A 51 45.826 35.953 22.176 1.00 0.00 H new ATOM 0 HB2 GLU A 51 45.192 34.216 23.951 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.768 33.874 22.988 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.263 33.257 21.060 1.00 0.00 H new ATOM 0 HG3 GLU A 51 46.657 33.519 22.089 1.00 0.00 H new ATOM 828 N ASP A 52 44.724 35.854 19.989 1.00 0.00 N ATOM 829 CA ASP A 52 44.183 35.947 18.648 1.00 0.00 C ATOM 830 C ASP A 52 43.194 34.828 18.322 1.00 0.00 C ATOM 831 O ASP A 52 43.233 33.738 18.889 1.00 0.00 O ATOM 832 CB ASP A 52 45.306 35.929 17.615 1.00 0.00 C ATOM 833 CG ASP A 52 46.348 37.043 17.742 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.953 37.210 18.823 1.00 0.00 O ATOM 835 OD2 ASP A 52 46.679 37.690 16.725 1.00 0.00 O ATOM 0 H ASP A 52 45.743 35.818 19.994 1.00 0.00 H new ATOM 0 HA ASP A 52 43.642 36.892 18.607 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.819 34.969 17.680 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.861 35.986 16.622 1.00 0.00 H new ATOM 840 N GLY A 53 42.305 35.097 17.369 1.00 0.00 N ATOM 841 CA GLY A 53 41.269 34.201 16.896 1.00 0.00 C ATOM 842 C GLY A 53 39.910 34.392 17.575 1.00 0.00 C ATOM 843 O GLY A 53 39.014 33.583 17.349 1.00 0.00 O ATOM 0 H GLY A 53 42.293 35.995 16.885 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.148 34.340 15.822 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.597 33.173 17.049 1.00 0.00 H new ATOM 847 N ARG A 54 39.753 35.415 18.411 1.00 0.00 N ATOM 848 CA ARG A 54 38.561 35.711 19.178 1.00 0.00 C ATOM 849 C ARG A 54 38.304 37.215 19.288 1.00 0.00 C ATOM 850 O ARG A 54 39.157 38.022 18.926 1.00 0.00 O ATOM 851 CB ARG A 54 38.666 35.036 20.542 1.00 0.00 C ATOM 852 CG ARG A 54 38.507 33.518 20.547 1.00 0.00 C ATOM 853 CD ARG A 54 37.130 33.077 20.058 1.00 0.00 C ATOM 854 NE ARG A 54 36.958 31.625 20.076 1.00 0.00 N ATOM 855 CZ ARG A 54 35.837 30.976 19.733 1.00 0.00 C ATOM 856 NH1 ARG A 54 34.723 31.630 19.378 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.782 29.637 19.726 1.00 0.00 N ATOM 0 H ARG A 54 40.498 36.092 18.576 1.00 0.00 H new ATOM 0 HA ARG A 54 37.694 35.308 18.655 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.636 35.282 20.974 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.907 35.464 21.197 1.00 0.00 H new ATOM 0 HG2 ARG A 54 39.274 33.073 19.914 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.669 33.141 21.557 1.00 0.00 H new ATOM 0 HD2 ARG A 54 36.364 33.536 20.683 1.00 0.00 H new ATOM 0 HD3 ARG A 54 36.976 33.444 19.043 1.00 0.00 H new ATOM 0 HE ARG A 54 37.755 31.061 20.373 1.00 0.00 H new ATOM 0 HH11 ARG A 54 34.713 32.650 19.364 1.00 0.00 H new ATOM 0 HH12 ARG A 54 33.885 31.108 19.122 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.604 29.091 19.985 1.00 0.00 H new ATOM 0 HH22 ARG A 54 34.918 29.163 19.462 1.00 0.00 H new ATOM 871 N THR A 55 37.117 37.589 19.759 1.00 0.00 N ATOM 872 CA THR A 55 36.593 38.940 19.773 1.00 0.00 C ATOM 873 C THR A 55 36.466 39.554 21.169 1.00 0.00 C ATOM 874 O THR A 55 36.554 38.857 22.178 1.00 0.00 O ATOM 875 CB THR A 55 35.222 39.014 19.107 1.00 0.00 C ATOM 876 OG1 THR A 55 34.259 38.341 19.886 1.00 0.00 O ATOM 877 CG2 THR A 55 35.177 38.427 17.699 1.00 0.00 C ATOM 0 H THR A 55 36.464 36.916 20.162 1.00 0.00 H new ATOM 0 HA THR A 55 37.333 39.516 19.217 1.00 0.00 H new ATOM 0 HB THR A 55 35.005 40.079 19.029 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.377 37.373 19.787 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.168 38.520 17.298 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.873 38.967 17.057 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.458 37.374 17.734 1.00 0.00 H new ATOM 885 N LEU A 56 36.176 40.851 21.226 1.00 0.00 N ATOM 886 CA LEU A 56 35.866 41.548 22.458 1.00 0.00 C ATOM 887 C LEU A 56 34.760 40.865 23.265 1.00 0.00 C ATOM 888 O LEU A 56 34.898 40.742 24.480 1.00 0.00 O ATOM 889 CB LEU A 56 35.482 42.996 22.168 1.00 0.00 C ATOM 890 CG LEU A 56 36.502 43.835 21.404 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.026 45.283 21.337 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.894 43.827 22.030 1.00 0.00 C ATOM 0 H LEU A 56 36.151 41.451 20.402 1.00 0.00 H new ATOM 0 HA LEU A 56 36.770 41.522 23.067 1.00 0.00 H new ATOM 0 HB2 LEU A 56 34.550 42.994 21.602 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.277 43.491 23.118 1.00 0.00 H new ATOM 0 HG LEU A 56 36.580 43.385 20.414 1.00 0.00 H new ATOM 0 HD11 LEU A 56 36.756 45.881 20.791 1.00 0.00 H new ATOM 0 HD12 LEU A 56 35.065 45.327 20.825 1.00 0.00 H new ATOM 0 HD13 LEU A 56 35.917 45.677 22.347 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.565 44.444 21.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 37.840 44.225 23.043 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.273 42.805 22.062 1.00 0.00 H new ATOM 904 N SER A 57 33.710 40.364 22.621 1.00 0.00 N ATOM 905 CA SER A 57 32.639 39.631 23.266 1.00 0.00 C ATOM 906 C SER A 57 33.082 38.294 23.864 1.00 0.00 C ATOM 907 O SER A 57 32.609 37.914 24.932 1.00 0.00 O ATOM 908 CB SER A 57 31.495 39.339 22.300 1.00 0.00 C ATOM 909 OG SER A 57 31.173 40.439 21.479 1.00 0.00 O ATOM 0 H SER A 57 33.583 40.462 21.614 1.00 0.00 H new ATOM 0 HA SER A 57 32.312 40.287 24.073 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.765 38.490 21.672 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.612 39.046 22.869 1.00 0.00 H new ATOM 0 HG SER A 57 30.436 40.196 20.880 1.00 0.00 H new ATOM 915 N ASP A 58 33.995 37.575 23.216 1.00 0.00 N ATOM 916 CA ASP A 58 34.503 36.310 23.705 1.00 0.00 C ATOM 917 C ASP A 58 35.347 36.460 24.971 1.00 0.00 C ATOM 918 O ASP A 58 35.442 35.523 25.763 1.00 0.00 O ATOM 919 CB ASP A 58 35.337 35.622 22.629 1.00 0.00 C ATOM 920 CG ASP A 58 34.552 35.348 21.344 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.957 35.868 20.283 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.546 34.607 21.381 1.00 0.00 O ATOM 0 H ASP A 58 34.403 37.864 22.327 1.00 0.00 H new ATOM 0 HA ASP A 58 33.632 35.704 23.955 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.201 36.244 22.394 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.720 34.680 23.022 1.00 0.00 H new ATOM 927 N TYR A 59 35.934 37.634 25.188 1.00 0.00 N ATOM 928 CA TYR A 59 36.673 37.992 26.382 1.00 0.00 C ATOM 929 C TYR A 59 35.899 38.896 27.343 1.00 0.00 C ATOM 930 O TYR A 59 36.437 39.250 28.390 1.00 0.00 O ATOM 931 CB TYR A 59 38.018 38.586 25.976 1.00 0.00 C ATOM 932 CG TYR A 59 38.930 37.619 25.257 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.454 36.522 25.951 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.264 37.823 23.914 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.299 35.614 25.300 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.122 36.932 23.258 1.00 0.00 C ATOM 937 CZ TYR A 59 40.634 35.814 23.947 1.00 0.00 C ATOM 938 OH TYR A 59 41.467 34.934 23.322 1.00 0.00 O ATOM 0 H TYR A 59 35.903 38.390 24.504 1.00 0.00 H new ATOM 0 HA TYR A 59 36.840 37.081 26.956 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.842 39.449 25.333 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.526 38.951 26.869 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.206 36.375 26.992 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.859 38.671 23.381 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.693 34.762 25.835 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.391 37.101 22.226 1.00 0.00 H new ATOM 0 HH TYR A 59 41.903 35.378 22.564 1.00 0.00 H new ATOM 948 N ASN A 60 34.650 39.246 27.049 1.00 0.00 N ATOM 949 CA ASN A 60 33.833 40.161 27.821 1.00 0.00 C ATOM 950 C ASN A 60 34.518 41.497 28.114 1.00 0.00 C ATOM 951 O ASN A 60 34.539 41.961 29.253 1.00 0.00 O ATOM 952 CB ASN A 60 33.250 39.434 29.029 1.00 0.00 C ATOM 953 CG ASN A 60 32.102 40.184 29.709 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.494 41.099 29.160 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.762 39.789 30.932 1.00 0.00 N ATOM 0 H ASN A 60 34.164 38.881 26.230 1.00 0.00 H new ATOM 0 HA ASN A 60 32.985 40.477 27.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.894 38.453 28.714 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.043 39.266 29.757 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.992 40.247 31.420 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.271 39.028 31.382 1.00 0.00 H new ATOM 962 N ILE A 61 35.097 42.098 27.079 1.00 0.00 N ATOM 963 CA ILE A 61 35.706 43.413 27.077 1.00 0.00 C ATOM 964 C ILE A 61 34.639 44.426 26.659 1.00 0.00 C ATOM 965 O ILE A 61 33.994 44.250 25.627 1.00 0.00 O ATOM 966 CB ILE A 61 36.917 43.465 26.149 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.982 42.435 26.516 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.526 44.864 26.137 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.033 42.215 25.431 1.00 0.00 C ATOM 0 H ILE A 61 35.154 41.647 26.166 1.00 0.00 H new ATOM 0 HA ILE A 61 36.074 43.652 28.075 1.00 0.00 H new ATOM 0 HB ILE A 61 36.556 43.218 25.151 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.481 42.754 27.431 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.494 41.485 26.733 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.388 44.880 25.470 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.783 45.581 25.788 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.843 45.132 27.145 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.753 41.470 25.768 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.548 41.865 24.520 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.550 43.153 25.229 1.00 0.00 H new ATOM 981 N GLN A 62 34.445 45.478 27.449 1.00 0.00 N ATOM 982 CA GLN A 62 33.350 46.415 27.302 1.00 0.00 C ATOM 983 C GLN A 62 33.813 47.860 27.092 1.00 0.00 C ATOM 984 O GLN A 62 34.974 48.195 27.316 1.00 0.00 O ATOM 985 CB GLN A 62 32.426 46.277 28.508 1.00 0.00 C ATOM 986 CG GLN A 62 31.736 44.918 28.575 1.00 0.00 C ATOM 987 CD GLN A 62 30.764 44.800 29.751 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.289 45.778 30.324 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.400 43.588 30.158 1.00 0.00 N ATOM 0 H GLN A 62 35.064 45.703 28.228 1.00 0.00 H new ATOM 0 HA GLN A 62 32.804 46.167 26.392 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.002 46.432 29.420 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.670 47.061 28.472 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.195 44.745 27.645 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.491 44.136 28.655 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.780 42.760 29.699 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.741 43.486 30.929 1.00 0.00 H new ATOM 998 N LYS A 63 32.888 48.724 26.683 1.00 0.00 N ATOM 999 CA LYS A 63 33.055 50.137 26.411 1.00 0.00 C ATOM 1000 C LYS A 63 33.885 50.863 27.471 1.00 0.00 C ATOM 1001 O LYS A 63 33.570 50.832 28.659 1.00 0.00 O ATOM 1002 CB LYS A 63 31.653 50.726 26.278 1.00 0.00 C ATOM 1003 CG LYS A 63 31.585 52.209 25.925 1.00 0.00 C ATOM 1004 CD LYS A 63 30.132 52.572 25.629 1.00 0.00 C ATOM 1005 CE LYS A 63 29.944 54.049 25.291 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.535 54.331 24.974 1.00 0.00 N ATOM 0 H LYS A 63 31.927 48.423 26.522 1.00 0.00 H new ATOM 0 HA LYS A 63 33.624 50.270 25.491 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.115 50.165 25.514 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.124 50.571 27.218 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.965 52.812 26.749 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.212 52.421 25.059 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.774 51.966 24.797 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.517 52.321 26.493 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.263 54.664 26.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.574 54.317 24.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.426 55.340 24.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.242 53.758 24.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.941 54.095 25.794 1.00 0.00 H new ATOM 1020 N GLU A 64 34.959 51.518 27.040 1.00 0.00 N ATOM 1021 CA GLU A 64 35.886 52.279 27.854 1.00 0.00 C ATOM 1022 C GLU A 64 36.675 51.477 28.890 1.00 0.00 C ATOM 1023 O GLU A 64 37.229 52.041 29.832 1.00 0.00 O ATOM 1024 CB GLU A 64 35.232 53.558 28.370 1.00 0.00 C ATOM 1025 CG GLU A 64 34.725 54.431 27.226 1.00 0.00 C ATOM 1026 CD GLU A 64 34.129 55.753 27.715 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.095 55.749 28.418 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.691 56.815 27.369 1.00 0.00 O ATOM 0 H GLU A 64 35.216 51.529 26.053 1.00 0.00 H new ATOM 0 HA GLU A 64 36.693 52.588 27.190 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.402 53.303 29.029 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.951 54.120 28.966 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.547 54.639 26.540 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.970 53.883 26.662 1.00 0.00 H new ATOM 1035 N SER A 65 36.820 50.171 28.689 1.00 0.00 N ATOM 1036 CA SER A 65 37.792 49.351 29.381 1.00 0.00 C ATOM 1037 C SER A 65 39.233 49.792 29.120 1.00 0.00 C ATOM 1038 O SER A 65 39.552 50.253 28.026 1.00 0.00 O ATOM 1039 CB SER A 65 37.687 47.885 28.971 1.00 0.00 C ATOM 1040 OG SER A 65 36.455 47.332 29.376 1.00 0.00 O ATOM 0 H SER A 65 36.250 49.648 28.025 1.00 0.00 H new ATOM 0 HA SER A 65 37.559 49.473 30.439 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.790 47.798 27.889 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.506 47.320 29.416 1.00 0.00 H new ATOM 0 HG SER A 65 35.743 47.647 28.780 1.00 0.00 H new ATOM 1046 N THR A 66 40.112 49.578 30.097 1.00 0.00 N ATOM 1047 CA THR A 66 41.548 49.713 29.965 1.00 0.00 C ATOM 1048 C THR A 66 42.230 48.347 29.863 1.00 0.00 C ATOM 1049 O THR A 66 42.015 47.468 30.696 1.00 0.00 O ATOM 1050 CB THR A 66 42.168 50.533 31.091 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.597 51.823 31.124 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.668 50.741 30.902 1.00 0.00 C ATOM 0 H THR A 66 39.826 49.296 31.034 1.00 0.00 H new ATOM 0 HA THR A 66 41.717 50.258 29.037 1.00 0.00 H new ATOM 0 HB THR A 66 41.981 49.973 32.007 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.001 52.341 31.852 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.061 51.331 31.730 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.169 49.773 30.876 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.847 51.268 29.965 1.00 0.00 H new ATOM 1060 N LEU A 67 43.083 48.183 28.857 1.00 0.00 N ATOM 1061 CA LEU A 67 43.984 47.065 28.651 1.00 0.00 C ATOM 1062 C LEU A 67 45.426 47.498 28.921 1.00 0.00 C ATOM 1063 O LEU A 67 45.729 48.688 28.883 1.00 0.00 O ATOM 1064 CB LEU A 67 43.836 46.546 27.224 1.00 0.00 C ATOM 1065 CG LEU A 67 42.611 45.688 26.922 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.271 46.411 27.029 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.721 45.168 25.491 1.00 0.00 C ATOM 0 H LEU A 67 43.165 48.878 28.115 1.00 0.00 H new ATOM 0 HA LEU A 67 43.732 46.263 29.344 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.823 47.404 26.551 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.725 45.964 26.981 1.00 0.00 H new ATOM 0 HG LEU A 67 42.614 44.903 27.678 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.463 45.717 26.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.142 46.790 28.043 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.249 47.243 26.325 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.852 44.552 25.260 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.763 46.010 24.800 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.627 44.570 25.390 1.00 0.00 H new ATOM 1079 N HIS A 68 46.337 46.553 29.131 1.00 0.00 N ATOM 1080 CA HIS A 68 47.764 46.796 29.207 1.00 0.00 C ATOM 1081 C HIS A 68 48.508 46.089 28.074 1.00 0.00 C ATOM 1082 O HIS A 68 48.161 44.968 27.706 1.00 0.00 O ATOM 1083 CB HIS A 68 48.310 46.395 30.574 1.00 0.00 C ATOM 1084 CG HIS A 68 47.851 47.260 31.716 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.637 48.200 32.382 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.638 47.178 32.350 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.887 48.670 33.381 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.681 48.078 33.396 1.00 0.00 N ATOM 0 H HIS A 68 46.091 45.571 29.256 1.00 0.00 H new ATOM 0 HA HIS A 68 47.932 47.866 29.084 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.019 45.364 30.778 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.399 46.417 30.535 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.812 46.536 32.084 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.207 49.425 34.084 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.930 48.261 34.062 1.00 0.00 H new ATOM 1096 N LEU A 69 49.535 46.738 27.534 1.00 0.00 N ATOM 1097 CA LEU A 69 50.347 46.307 26.414 1.00 0.00 C ATOM 1098 C LEU A 69 51.819 46.197 26.820 1.00 0.00 C ATOM 1099 O LEU A 69 52.378 47.132 27.388 1.00 0.00 O ATOM 1100 CB LEU A 69 50.151 47.302 25.273 1.00 0.00 C ATOM 1101 CG LEU A 69 51.044 47.132 24.048 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.789 45.829 23.295 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.785 48.284 23.082 1.00 0.00 C ATOM 0 H LEU A 69 49.838 47.642 27.897 1.00 0.00 H new ATOM 0 HA LEU A 69 50.039 45.315 26.085 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.113 47.244 24.947 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.305 48.306 25.668 1.00 0.00 H new ATOM 0 HG LEU A 69 52.072 47.118 24.409 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.456 45.769 22.435 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.975 44.984 23.958 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.754 45.802 22.954 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.419 48.171 22.203 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.738 48.276 22.778 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.012 49.230 23.574 1.00 0.00 H new ATOM 1115 N VAL A 70 52.444 45.073 26.483 1.00 0.00 N ATOM 1116 CA VAL A 70 53.863 44.822 26.642 1.00 0.00 C ATOM 1117 C VAL A 70 54.443 44.078 25.437 1.00 0.00 C ATOM 1118 O VAL A 70 53.705 43.529 24.622 1.00 0.00 O ATOM 1119 CB VAL A 70 54.183 44.103 27.949 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.833 44.938 29.177 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.496 42.748 28.089 1.00 0.00 C ATOM 0 H VAL A 70 51.949 44.281 26.074 1.00 0.00 H new ATOM 0 HA VAL A 70 54.348 45.797 26.692 1.00 0.00 H new ATOM 0 HB VAL A 70 55.260 43.945 27.901 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.081 44.379 30.080 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.401 45.868 29.159 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.767 45.164 29.171 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.771 42.297 29.043 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.415 42.882 28.050 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.810 42.095 27.275 1.00 0.00 H new ATOM 1131 N LEU A 71 55.767 44.069 25.317 1.00 0.00 N ATOM 1132 CA LEU A 71 56.496 43.466 24.220 1.00 0.00 C ATOM 1133 C LEU A 71 56.904 42.025 24.535 1.00 0.00 C ATOM 1134 O LEU A 71 57.390 41.739 25.627 1.00 0.00 O ATOM 1135 CB LEU A 71 57.714 44.320 23.878 1.00 0.00 C ATOM 1136 CG LEU A 71 57.494 45.527 22.971 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.145 45.113 21.544 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.418 46.495 23.452 1.00 0.00 C ATOM 0 H LEU A 71 56.379 44.499 26.010 1.00 0.00 H new ATOM 0 HA LEU A 71 55.837 43.426 23.353 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.149 44.676 24.812 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.456 43.675 23.406 1.00 0.00 H new ATOM 0 HG LEU A 71 58.452 46.046 23.001 1.00 0.00 H new ATOM 0 HD11 LEU A 71 56.997 46.003 20.933 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.959 44.519 21.128 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.230 44.521 21.550 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.330 47.321 22.747 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.463 45.973 23.520 1.00 0.00 H new ATOM 0 HD23 LEU A 71 56.690 46.883 24.433 1.00 0.00 H new ATOM 1150 N ARG A 72 56.764 41.117 23.572 1.00 0.00 N ATOM 1151 CA ARG A 72 57.153 39.724 23.659 1.00 0.00 C ATOM 1152 C ARG A 72 58.647 39.558 23.374 1.00 0.00 C ATOM 1153 O ARG A 72 59.022 39.200 22.260 1.00 0.00 O ATOM 1154 CB ARG A 72 56.302 38.876 22.717 1.00 0.00 C ATOM 1155 CG ARG A 72 54.820 38.842 23.080 1.00 0.00 C ATOM 1156 CD ARG A 72 54.010 37.979 22.116 1.00 0.00 C ATOM 1157 NE ARG A 72 54.452 36.585 22.123 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.140 35.624 23.005 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.172 35.769 23.919 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.838 34.481 22.966 1.00 0.00 N ATOM 0 H ARG A 72 56.355 41.351 22.667 1.00 0.00 H new ATOM 0 HA ARG A 72 56.976 39.374 24.676 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.408 39.261 21.703 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.688 37.857 22.714 1.00 0.00 H new ATOM 0 HG2 ARG A 72 54.705 38.458 24.094 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.424 39.857 23.077 1.00 0.00 H new ATOM 0 HD2 ARG A 72 52.955 38.026 22.387 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.098 38.382 21.107 1.00 0.00 H new ATOM 0 HE ARG A 72 55.074 36.310 21.363 1.00 0.00 H new ATOM 0 HH11 ARG A 72 52.638 36.637 23.963 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.968 35.011 24.571 1.00 0.00 H new ATOM 0 HH21 ARG A 72 55.582 34.361 22.279 1.00 0.00 H new ATOM 0 HH22 ARG A 72 54.625 33.731 23.623 1.00 0.00 H new ATOM 1174 N LEU A 73 59.486 39.826 24.371 1.00 0.00 N ATOM 1175 CA LEU A 73 60.935 39.822 24.359 1.00 0.00 C ATOM 1176 C LEU A 73 61.605 40.809 23.401 1.00 0.00 C ATOM 1177 O LEU A 73 62.419 41.621 23.834 1.00 0.00 O ATOM 1178 CB LEU A 73 61.478 38.410 24.163 1.00 0.00 C ATOM 1179 CG LEU A 73 60.992 37.344 25.142 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.495 35.977 24.689 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.476 37.583 26.569 1.00 0.00 C ATOM 0 H LEU A 73 59.128 40.074 25.293 1.00 0.00 H new ATOM 0 HA LEU A 73 61.208 40.190 25.348 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.224 38.085 23.154 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.566 38.453 24.220 1.00 0.00 H new ATOM 0 HG LEU A 73 59.903 37.391 25.145 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.150 35.213 25.386 1.00 0.00 H new ATOM 0 HD12 LEU A 73 61.110 35.760 23.693 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.585 35.980 24.665 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.099 36.793 27.218 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.566 37.579 26.589 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.110 38.548 26.921 1.00 0.00 H new ATOM 1193 N ARG A 74 61.295 40.743 22.109 1.00 0.00 N ATOM 1194 CA ARG A 74 61.866 41.542 21.042 1.00 0.00 C ATOM 1195 C ARG A 74 61.242 42.938 20.985 1.00 0.00 C ATOM 1196 O ARG A 74 60.033 43.064 20.806 1.00 0.00 O ATOM 1197 CB ARG A 74 61.660 40.835 19.705 1.00 0.00 C ATOM 1198 CG ARG A 74 62.406 39.509 19.591 1.00 0.00 C ATOM 1199 CD ARG A 74 62.182 38.884 18.216 1.00 0.00 C ATOM 1200 NE ARG A 74 60.806 38.418 18.048 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.087 38.367 16.918 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.584 38.701 15.719 1.00 0.00 N ATOM 1203 NH2 ARG A 74 58.803 37.987 16.946 1.00 0.00 N ATOM 0 H ARG A 74 60.594 40.087 21.764 1.00 0.00 H new ATOM 0 HA ARG A 74 62.931 41.658 21.244 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.595 40.656 19.559 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.985 41.495 18.901 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.472 39.670 19.754 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.064 38.825 20.368 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.415 39.615 17.442 1.00 0.00 H new ATOM 0 HD3 ARG A 74 62.868 38.048 18.081 1.00 0.00 H new ATOM 0 HE ARG A 74 60.337 38.092 18.893 1.00 0.00 H new ATOM 0 HH11 ARG A 74 61.552 39.012 15.637 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.994 38.645 14.889 1.00 0.00 H new ATOM 0 HH21 ARG A 74 58.365 37.734 17.832 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.263 37.951 16.082 1.00 0.00 H new ATOM 1217 N GLY A 75 62.077 43.969 21.086 1.00 0.00 N ATOM 1218 CA GLY A 75 61.686 45.365 21.073 1.00 0.00 C ATOM 1219 C GLY A 75 62.834 46.338 20.794 1.00 0.00 C ATOM 1220 O GLY A 75 62.769 47.493 21.209 1.00 0.00 O ATOM 0 H GLY A 75 63.085 43.843 21.183 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.913 45.507 20.317 1.00 0.00 H new ATOM 0 HA3 GLY A 75 61.240 45.614 22.036 1.00 0.00 H new ATOM 1224 N GLY A 76 63.892 45.889 20.124 1.00 0.00 N ATOM 1225 CA GLY A 76 65.113 46.624 19.862 1.00 0.00 C ATOM 1226 C GLY A 76 66.109 46.557 21.023 1.00 0.00 C ATOM 1227 O GLY A 76 66.537 45.436 21.372 1.00 0.00 O ATOM 1228 OXT GLY A 76 66.435 47.619 21.594 1.00 0.00 O ATOM 0 H GLY A 76 63.915 44.949 19.730 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.584 46.228 18.962 1.00 0.00 H new ATOM 0 HA3 GLY A 76 64.867 47.667 19.660 1.00 0.00 H new TER 1232 GLY A 76