USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 25 ASN : amide:sc= 0.838 K(o=2.4,f=-3.4) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -174:sc= 1.54 (180deg=0.407) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -131:sc= 0.185 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot -178:sc= 0.183 USER MOD Set 3.1: A 7 THR OG1 : rot 125:sc= 0.0585 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0928 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 2.17 (180deg=1.67) USER MOD Single : A 2 GLN : amide:sc= -0.0733 K(o=-0.073,f=-1.4!) USER MOD Single : A 11 LYS NZ :NH3+ -168:sc= 1.28 (180deg=1.01) USER MOD Single : A 14 THR OG1 : rot -75:sc= 0.417 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0399 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0252 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.1 (180deg=0.708) USER MOD Single : A 31 GLN : amide:sc= -0.393 X(o=-0.39,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0796 (180deg=-0.359) USER MOD Single : A 40 GLN : amide:sc= -0.557 K(o=-0.56,f=-2.3) USER MOD Single : A 41 GLN : amide:sc= -0.357 K(o=-0.36,f=-3.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.194 X(o=-0.19,f=-0.027) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.176 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 1.18 (180deg=0.459) USER MOD Single : A 65 SER OG : rot 111:sc= 0.0193 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 13.218 30.733 16.414 1.00 0.00 N ATOM 2 CA MET A 1 13.403 30.766 17.872 1.00 0.00 C ATOM 3 C MET A 1 14.764 31.385 18.199 1.00 0.00 C ATOM 4 O MET A 1 15.738 31.075 17.520 1.00 0.00 O ATOM 5 CB MET A 1 13.210 29.411 18.545 1.00 0.00 C ATOM 6 CG MET A 1 14.397 28.456 18.419 1.00 0.00 C ATOM 7 SD MET A 1 13.973 27.006 19.412 1.00 0.00 S ATOM 8 CE MET A 1 15.452 25.972 19.281 1.00 0.00 C ATOM 0 H1 MET A 1 12.576 29.954 16.163 1.00 0.00 H new ATOM 0 H2 MET A 1 12.809 31.635 16.095 1.00 0.00 H new ATOM 0 H3 MET A 1 14.138 30.587 15.951 1.00 0.00 H new ATOM 0 HA MET A 1 12.615 31.393 18.289 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.003 29.573 19.603 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.329 28.931 18.118 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.568 28.180 17.378 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.314 28.922 18.780 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.306 25.055 19.851 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.631 25.724 18.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.311 26.513 19.678 1.00 0.00 H new ATOM 20 N GLN A 2 14.921 32.189 19.250 1.00 0.00 N ATOM 21 CA GLN A 2 16.184 32.685 19.740 1.00 0.00 C ATOM 22 C GLN A 2 16.790 31.702 20.745 1.00 0.00 C ATOM 23 O GLN A 2 16.004 31.024 21.397 1.00 0.00 O ATOM 24 CB GLN A 2 15.931 33.961 20.535 1.00 0.00 C ATOM 25 CG GLN A 2 15.788 35.220 19.682 1.00 0.00 C ATOM 26 CD GLN A 2 14.435 35.347 19.010 1.00 0.00 C ATOM 27 OE1 GLN A 2 13.445 34.917 19.596 1.00 0.00 O ATOM 28 NE2 GLN A 2 14.386 35.925 17.813 1.00 0.00 N ATOM 0 H GLN A 2 14.129 32.521 19.800 1.00 0.00 H new ATOM 0 HA GLN A 2 16.843 32.837 18.885 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.024 33.832 21.126 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.751 34.105 21.238 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.956 36.095 20.310 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.565 35.221 18.918 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.243 36.263 17.375 1.00 0.00 H new ATOM 0 HE22 GLN A 2 13.492 36.030 17.333 1.00 0.00 H new ATOM 37 N ILE A 3 18.102 31.649 20.962 1.00 0.00 N ATOM 38 CA ILE A 3 18.854 31.101 22.072 1.00 0.00 C ATOM 39 C ILE A 3 20.023 32.033 22.418 1.00 0.00 C ATOM 40 O ILE A 3 20.462 32.796 21.567 1.00 0.00 O ATOM 41 CB ILE A 3 19.381 29.695 21.777 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.135 29.441 20.473 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.197 28.757 21.948 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.638 28.017 20.229 1.00 0.00 C ATOM 0 H ILE A 3 18.738 32.043 20.269 1.00 0.00 H new ATOM 0 HA ILE A 3 18.175 31.024 22.921 1.00 0.00 H new ATOM 0 HB ILE A 3 20.192 29.520 22.484 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.482 29.716 19.645 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.992 30.114 20.441 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.513 27.733 21.749 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.820 28.829 22.968 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.408 29.036 21.249 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.155 27.973 19.270 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.326 27.733 21.025 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.792 27.329 20.217 1.00 0.00 H new ATOM 56 N PHE A 4 20.617 32.002 23.612 1.00 0.00 N ATOM 57 CA PHE A 4 21.790 32.789 23.921 1.00 0.00 C ATOM 58 C PHE A 4 22.967 31.835 24.148 1.00 0.00 C ATOM 59 O PHE A 4 22.817 30.931 24.955 1.00 0.00 O ATOM 60 CB PHE A 4 21.576 33.586 25.201 1.00 0.00 C ATOM 61 CG PHE A 4 20.464 34.610 25.193 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.398 35.679 24.284 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.529 34.519 26.227 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.371 36.605 24.480 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.492 35.445 26.388 1.00 0.00 C ATOM 66 CZ PHE A 4 18.359 36.461 25.439 1.00 0.00 C ATOM 0 H PHE A 4 20.290 31.426 24.387 1.00 0.00 H new ATOM 0 HA PHE A 4 21.985 33.474 23.096 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.383 32.882 26.010 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.507 34.099 25.441 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.106 35.780 23.474 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.610 33.702 26.929 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.356 37.485 23.855 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.812 35.376 27.224 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.501 37.117 25.444 1.00 0.00 H new ATOM 76 N VAL A 5 23.985 31.933 23.290 1.00 0.00 N ATOM 77 CA VAL A 5 25.175 31.121 23.463 1.00 0.00 C ATOM 78 C VAL A 5 26.161 31.959 24.283 1.00 0.00 C ATOM 79 O VAL A 5 26.300 33.146 24.026 1.00 0.00 O ATOM 80 CB VAL A 5 25.787 30.767 22.106 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.182 30.146 21.980 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.819 29.941 21.256 1.00 0.00 C ATOM 0 H VAL A 5 24.004 32.558 22.484 1.00 0.00 H new ATOM 0 HA VAL A 5 24.936 30.184 23.967 1.00 0.00 H new ATOM 0 HB VAL A 5 25.961 31.783 21.751 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.412 29.979 20.928 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.921 30.822 22.410 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.206 29.195 22.512 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.285 29.706 20.299 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.576 29.015 21.778 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.906 30.512 21.085 1.00 0.00 H new ATOM 92 N LYS A 6 26.784 31.311 25.259 1.00 0.00 N ATOM 93 CA LYS A 6 27.660 31.903 26.249 1.00 0.00 C ATOM 94 C LYS A 6 29.067 31.311 26.109 1.00 0.00 C ATOM 95 O LYS A 6 29.232 30.146 26.468 1.00 0.00 O ATOM 96 CB LYS A 6 27.001 31.534 27.576 1.00 0.00 C ATOM 97 CG LYS A 6 27.484 32.271 28.824 1.00 0.00 C ATOM 98 CD LYS A 6 27.322 33.783 28.948 1.00 0.00 C ATOM 99 CE LYS A 6 27.632 34.339 30.341 1.00 0.00 C ATOM 100 NZ LYS A 6 27.175 35.725 30.479 1.00 0.00 N ATOM 0 H LYS A 6 26.683 30.304 25.384 1.00 0.00 H new ATOM 0 HA LYS A 6 27.783 32.982 26.151 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.928 31.702 27.479 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.143 30.466 27.738 1.00 0.00 H new ATOM 0 HG2 LYS A 6 26.976 31.823 29.678 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.546 32.052 28.935 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.976 34.267 28.223 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.299 34.050 28.683 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.151 33.719 31.097 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.705 34.289 30.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.942 36.306 30.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.905 36.096 29.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.353 35.758 31.115 1.00 0.00 H new ATOM 114 N THR A 7 30.090 32.067 25.696 1.00 0.00 N ATOM 115 CA THR A 7 31.428 31.564 25.510 1.00 0.00 C ATOM 116 C THR A 7 31.971 31.075 26.851 1.00 0.00 C ATOM 117 O THR A 7 31.448 31.307 27.944 1.00 0.00 O ATOM 118 CB THR A 7 32.249 32.719 24.938 1.00 0.00 C ATOM 119 OG1 THR A 7 32.706 33.666 25.885 1.00 0.00 O ATOM 120 CG2 THR A 7 31.576 33.426 23.757 1.00 0.00 C ATOM 0 H THR A 7 29.995 33.060 25.482 1.00 0.00 H new ATOM 0 HA THR A 7 31.466 30.716 24.826 1.00 0.00 H new ATOM 0 HB THR A 7 33.138 32.209 24.567 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.679 33.755 25.815 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.217 34.234 23.404 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.414 32.712 22.950 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.618 33.836 24.076 1.00 0.00 H new ATOM 128 N LEU A 8 33.169 30.494 26.847 1.00 0.00 N ATOM 129 CA LEU A 8 33.900 30.068 28.026 1.00 0.00 C ATOM 130 C LEU A 8 34.428 31.218 28.878 1.00 0.00 C ATOM 131 O LEU A 8 34.310 31.193 30.102 1.00 0.00 O ATOM 132 CB LEU A 8 34.999 29.103 27.561 1.00 0.00 C ATOM 133 CG LEU A 8 36.079 28.626 28.530 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.546 27.229 28.116 1.00 0.00 C ATOM 135 CD2 LEU A 8 37.343 29.478 28.688 1.00 0.00 C ATOM 0 H LEU A 8 33.674 30.302 25.982 1.00 0.00 H new ATOM 0 HA LEU A 8 33.218 29.557 28.706 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.502 28.214 27.172 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.508 29.577 26.722 1.00 0.00 H new ATOM 0 HG LEU A 8 35.571 28.680 29.493 1.00 0.00 H new ATOM 0 HD11 LEU A 8 37.317 26.884 28.805 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.702 26.540 28.142 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.953 27.266 27.105 1.00 0.00 H new ATOM 0 HD21 LEU A 8 38.011 29.007 29.409 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.848 29.561 27.726 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.070 30.472 29.042 1.00 0.00 H new ATOM 147 N THR A 9 34.746 32.301 28.186 1.00 0.00 N ATOM 148 CA THR A 9 35.298 33.561 28.637 1.00 0.00 C ATOM 149 C THR A 9 34.179 34.437 29.196 1.00 0.00 C ATOM 150 O THR A 9 34.426 35.433 29.878 1.00 0.00 O ATOM 151 CB THR A 9 36.258 34.111 27.576 1.00 0.00 C ATOM 152 OG1 THR A 9 35.632 34.642 26.435 1.00 0.00 O ATOM 153 CG2 THR A 9 37.436 33.245 27.131 1.00 0.00 C ATOM 0 H THR A 9 34.605 32.315 27.176 1.00 0.00 H new ATOM 0 HA THR A 9 35.958 33.477 29.500 1.00 0.00 H new ATOM 0 HB THR A 9 36.696 34.909 28.175 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.313 34.971 25.812 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.016 33.779 26.378 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.071 33.025 27.989 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.063 32.313 26.708 1.00 0.00 H new ATOM 161 N GLY A 10 32.897 34.180 28.940 1.00 0.00 N ATOM 162 CA GLY A 10 31.785 34.792 29.635 1.00 0.00 C ATOM 163 C GLY A 10 31.027 35.766 28.724 1.00 0.00 C ATOM 164 O GLY A 10 30.044 36.297 29.222 1.00 0.00 O ATOM 0 H GLY A 10 32.604 33.519 28.220 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.104 34.018 29.990 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.150 35.323 30.514 1.00 0.00 H new ATOM 168 N LYS A 11 31.363 36.034 27.462 1.00 0.00 N ATOM 169 CA LYS A 11 30.714 36.809 26.423 1.00 0.00 C ATOM 170 C LYS A 11 29.446 36.062 25.997 1.00 0.00 C ATOM 171 O LYS A 11 29.334 34.853 26.171 1.00 0.00 O ATOM 172 CB LYS A 11 31.778 36.834 25.328 1.00 0.00 C ATOM 173 CG LYS A 11 31.498 37.778 24.156 1.00 0.00 C ATOM 174 CD LYS A 11 32.755 38.125 23.363 1.00 0.00 C ATOM 175 CE LYS A 11 32.492 39.220 22.330 1.00 0.00 C ATOM 176 NZ LYS A 11 33.711 39.367 21.524 1.00 0.00 N ATOM 0 H LYS A 11 32.234 35.647 27.099 1.00 0.00 H new ATOM 0 HA LYS A 11 30.397 37.814 26.701 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.730 37.115 25.778 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.896 35.823 24.937 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.769 37.316 23.490 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.048 38.696 24.534 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.538 38.452 24.048 1.00 0.00 H new ATOM 0 HD3 LYS A 11 33.125 37.232 22.859 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.644 38.956 21.698 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.242 40.160 22.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.646 40.232 20.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.537 39.430 22.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.815 38.543 20.898 1.00 0.00 H new ATOM 190 N THR A 12 28.482 36.786 25.443 1.00 0.00 N ATOM 191 CA THR A 12 27.130 36.394 25.114 1.00 0.00 C ATOM 192 C THR A 12 26.751 36.835 23.697 1.00 0.00 C ATOM 193 O THR A 12 27.108 37.970 23.426 1.00 0.00 O ATOM 194 CB THR A 12 26.248 37.050 26.185 1.00 0.00 C ATOM 195 OG1 THR A 12 26.423 36.510 27.477 1.00 0.00 O ATOM 196 CG2 THR A 12 24.774 36.746 25.923 1.00 0.00 C ATOM 0 H THR A 12 28.652 37.759 25.190 1.00 0.00 H new ATOM 0 HA THR A 12 27.006 35.311 25.114 1.00 0.00 H new ATOM 0 HB THR A 12 26.526 38.103 26.137 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.811 36.952 28.102 1.00 0.00 H new ATOM 0 HG21 THR A 12 24.163 37.219 26.692 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.491 37.134 24.945 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.615 35.668 25.945 1.00 0.00 H new ATOM 204 N ILE A 13 26.198 35.982 22.835 1.00 0.00 N ATOM 205 CA ILE A 13 25.652 36.228 21.513 1.00 0.00 C ATOM 206 C ILE A 13 24.289 35.548 21.461 1.00 0.00 C ATOM 207 O ILE A 13 24.032 34.461 21.979 1.00 0.00 O ATOM 208 CB ILE A 13 26.556 35.724 20.387 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.751 34.208 20.437 1.00 0.00 C ATOM 210 CG2 ILE A 13 27.882 36.487 20.362 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.764 33.422 19.604 1.00 0.00 C ATOM 0 H ILE A 13 26.116 34.995 23.079 1.00 0.00 H new ATOM 0 HA ILE A 13 25.569 37.303 21.353 1.00 0.00 H new ATOM 0 HB ILE A 13 26.051 35.929 19.443 1.00 0.00 H new ATOM 0 HG12 ILE A 13 26.971 33.970 21.478 1.00 0.00 H new ATOM 0 HG13 ILE A 13 25.777 33.774 20.210 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.505 36.108 19.552 1.00 0.00 H new ATOM 0 HG22 ILE A 13 27.688 37.548 20.205 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.399 36.349 21.312 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.685 32.361 19.842 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.559 33.573 18.544 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.771 33.771 19.832 1.00 0.00 H new ATOM 223 N THR A 14 23.376 36.285 20.834 1.00 0.00 N ATOM 224 CA THR A 14 22.037 35.853 20.509 1.00 0.00 C ATOM 225 C THR A 14 22.161 35.214 19.125 1.00 0.00 C ATOM 226 O THR A 14 22.382 35.955 18.168 1.00 0.00 O ATOM 227 CB THR A 14 21.030 37.002 20.458 1.00 0.00 C ATOM 228 OG1 THR A 14 21.095 37.676 21.687 1.00 0.00 O ATOM 229 CG2 THR A 14 19.570 36.570 20.332 1.00 0.00 C ATOM 0 H THR A 14 23.566 37.240 20.529 1.00 0.00 H new ATOM 0 HA THR A 14 21.662 35.174 21.274 1.00 0.00 H new ATOM 0 HB THR A 14 21.296 37.590 19.580 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.641 37.146 22.375 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.931 37.452 20.303 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.438 35.996 19.415 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.298 35.953 21.188 1.00 0.00 H new ATOM 237 N LEU A 15 21.927 33.911 19.069 1.00 0.00 N ATOM 238 CA LEU A 15 21.751 33.243 17.792 1.00 0.00 C ATOM 239 C LEU A 15 20.233 33.194 17.557 1.00 0.00 C ATOM 240 O LEU A 15 19.428 33.171 18.485 1.00 0.00 O ATOM 241 CB LEU A 15 22.211 31.793 17.877 1.00 0.00 C ATOM 242 CG LEU A 15 23.664 31.458 17.499 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.727 32.075 18.413 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.807 29.956 17.258 1.00 0.00 C ATOM 0 H LEU A 15 21.855 33.302 19.884 1.00 0.00 H new ATOM 0 HA LEU A 15 22.312 33.763 17.015 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.048 31.454 18.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.557 31.200 17.237 1.00 0.00 H new ATOM 0 HG LEU A 15 23.880 31.958 16.555 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.718 31.783 18.067 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.640 33.161 18.390 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.580 31.721 19.433 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.839 29.727 16.991 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.538 29.415 18.165 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.146 29.653 16.446 1.00 0.00 H new ATOM 256 N GLU A 16 19.916 33.142 16.268 1.00 0.00 N ATOM 257 CA GLU A 16 18.567 32.864 15.822 1.00 0.00 C ATOM 258 C GLU A 16 18.507 31.553 15.033 1.00 0.00 C ATOM 259 O GLU A 16 19.356 31.481 14.133 1.00 0.00 O ATOM 260 CB GLU A 16 17.962 34.049 15.068 1.00 0.00 C ATOM 261 CG GLU A 16 16.484 33.930 14.723 1.00 0.00 C ATOM 262 CD GLU A 16 15.803 35.115 14.053 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.452 36.182 14.164 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.718 34.888 13.473 1.00 0.00 O ATOM 0 H GLU A 16 20.585 33.291 15.513 1.00 0.00 H new ATOM 0 HA GLU A 16 17.941 32.725 16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.104 34.948 15.668 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.521 34.191 14.143 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.363 33.065 14.071 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.944 33.713 15.644 1.00 0.00 H new ATOM 271 N VAL A 17 17.575 30.645 15.299 1.00 0.00 N ATOM 272 CA VAL A 17 17.581 29.249 14.921 1.00 0.00 C ATOM 273 C VAL A 17 16.093 28.906 14.860 1.00 0.00 C ATOM 274 O VAL A 17 15.215 29.677 15.242 1.00 0.00 O ATOM 275 CB VAL A 17 18.438 28.329 15.795 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.930 28.570 15.592 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.068 28.286 17.279 1.00 0.00 C ATOM 0 H VAL A 17 16.736 30.891 15.824 1.00 0.00 H new ATOM 0 HA VAL A 17 18.084 29.081 13.969 1.00 0.00 H new ATOM 0 HB VAL A 17 18.196 27.330 15.431 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.498 27.895 16.232 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.190 28.386 14.550 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.170 29.602 15.849 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.739 27.604 17.802 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.161 29.285 17.706 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.041 27.939 17.388 1.00 0.00 H new ATOM 287 N GLU A 18 15.821 27.641 14.565 1.00 0.00 N ATOM 288 CA GLU A 18 14.588 26.879 14.663 1.00 0.00 C ATOM 289 C GLU A 18 15.085 25.485 15.070 1.00 0.00 C ATOM 290 O GLU A 18 16.231 25.127 14.817 1.00 0.00 O ATOM 291 CB GLU A 18 13.867 26.951 13.320 1.00 0.00 C ATOM 292 CG GLU A 18 12.975 28.173 13.070 1.00 0.00 C ATOM 293 CD GLU A 18 11.875 28.209 14.126 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.004 27.330 13.993 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.839 28.910 15.154 1.00 0.00 O ATOM 0 H GLU A 18 16.566 27.047 14.201 1.00 0.00 H new ATOM 0 HA GLU A 18 13.850 27.234 15.382 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.618 26.913 12.531 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.252 26.057 13.218 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.568 29.087 13.112 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.538 28.123 12.073 1.00 0.00 H new ATOM 302 N PRO A 19 14.201 24.716 15.693 1.00 0.00 N ATOM 303 CA PRO A 19 14.547 23.388 16.164 1.00 0.00 C ATOM 304 C PRO A 19 15.247 22.477 15.156 1.00 0.00 C ATOM 305 O PRO A 19 15.919 21.532 15.566 1.00 0.00 O ATOM 306 CB PRO A 19 13.228 22.836 16.699 1.00 0.00 C ATOM 307 CG PRO A 19 12.260 23.991 16.940 1.00 0.00 C ATOM 308 CD PRO A 19 12.863 25.110 16.092 1.00 0.00 C ATOM 0 HA PRO A 19 15.323 23.439 16.927 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.800 22.130 15.987 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.399 22.289 17.627 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.246 23.744 16.624 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.208 24.264 17.994 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.245 25.294 15.213 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.896 26.040 16.660 1.00 0.00 H new ATOM 316 N SER A 20 15.003 22.653 13.862 1.00 0.00 N ATOM 317 CA SER A 20 15.564 21.943 12.724 1.00 0.00 C ATOM 318 C SER A 20 17.045 22.195 12.450 1.00 0.00 C ATOM 319 O SER A 20 17.653 21.290 11.855 1.00 0.00 O ATOM 320 CB SER A 20 14.695 22.332 11.532 1.00 0.00 C ATOM 321 OG SER A 20 14.544 23.725 11.409 1.00 0.00 O ATOM 0 H SER A 20 14.342 23.367 13.557 1.00 0.00 H new ATOM 0 HA SER A 20 15.547 20.873 12.934 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.138 21.935 10.618 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.713 21.871 11.636 1.00 0.00 H new ATOM 0 HG SER A 20 13.982 23.926 10.632 1.00 0.00 H new ATOM 327 N ASP A 21 17.691 23.248 12.932 1.00 0.00 N ATOM 328 CA ASP A 21 19.119 23.496 12.836 1.00 0.00 C ATOM 329 C ASP A 21 19.953 22.311 13.307 1.00 0.00 C ATOM 330 O ASP A 21 19.923 21.964 14.482 1.00 0.00 O ATOM 331 CB ASP A 21 19.587 24.837 13.402 1.00 0.00 C ATOM 332 CG ASP A 21 19.047 26.085 12.727 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.844 26.434 12.716 1.00 0.00 O ATOM 334 OD2 ASP A 21 19.909 26.852 12.249 1.00 0.00 O ATOM 0 H ASP A 21 17.202 23.993 13.428 1.00 0.00 H new ATOM 0 HA ASP A 21 19.305 23.598 11.767 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.315 24.875 14.457 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.675 24.867 13.352 1.00 0.00 H new ATOM 339 N THR A 22 20.823 21.765 12.452 1.00 0.00 N ATOM 340 CA THR A 22 21.871 20.803 12.694 1.00 0.00 C ATOM 341 C THR A 22 22.950 21.435 13.588 1.00 0.00 C ATOM 342 O THR A 22 23.142 22.645 13.569 1.00 0.00 O ATOM 343 CB THR A 22 22.548 20.267 11.428 1.00 0.00 C ATOM 344 OG1 THR A 22 22.713 21.321 10.521 1.00 0.00 O ATOM 345 CG2 THR A 22 21.801 19.139 10.707 1.00 0.00 C ATOM 0 H THR A 22 20.795 22.025 11.466 1.00 0.00 H new ATOM 0 HA THR A 22 21.384 19.954 13.175 1.00 0.00 H new ATOM 0 HB THR A 22 23.492 19.840 11.768 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.147 20.988 9.708 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.366 18.834 9.826 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.690 18.288 11.379 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.816 19.492 10.402 1.00 0.00 H new ATOM 353 N ILE A 23 23.682 20.555 14.270 1.00 0.00 N ATOM 354 CA ILE A 23 24.844 20.993 15.014 1.00 0.00 C ATOM 355 C ILE A 23 25.890 21.607 14.072 1.00 0.00 C ATOM 356 O ILE A 23 26.464 22.611 14.457 1.00 0.00 O ATOM 357 CB ILE A 23 25.348 19.866 15.915 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.225 19.425 16.852 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.607 20.075 16.762 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.499 20.428 17.741 1.00 0.00 C ATOM 0 H ILE A 23 23.490 19.554 14.318 1.00 0.00 H new ATOM 0 HA ILE A 23 24.581 21.803 15.694 1.00 0.00 H new ATOM 0 HB ILE A 23 25.657 19.122 15.181 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.468 18.940 16.236 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.640 18.660 17.508 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.813 19.172 17.336 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.453 20.291 16.109 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.452 20.911 17.444 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.739 19.911 18.327 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.214 20.903 18.412 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.024 21.188 17.120 1.00 0.00 H new ATOM 372 N GLU A 24 26.166 21.084 12.880 1.00 0.00 N ATOM 373 CA GLU A 24 27.240 21.538 12.033 1.00 0.00 C ATOM 374 C GLU A 24 26.859 22.890 11.425 1.00 0.00 C ATOM 375 O GLU A 24 27.713 23.655 10.977 1.00 0.00 O ATOM 376 CB GLU A 24 27.537 20.523 10.934 1.00 0.00 C ATOM 377 CG GLU A 24 28.571 19.474 11.357 1.00 0.00 C ATOM 378 CD GLU A 24 28.663 18.249 10.453 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.528 17.816 10.149 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.771 17.715 10.244 1.00 0.00 O ATOM 0 H GLU A 24 25.630 20.315 12.477 1.00 0.00 H new ATOM 0 HA GLU A 24 28.144 21.648 12.632 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.612 20.021 10.650 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.899 21.047 10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.551 19.949 11.398 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.335 19.142 12.368 1.00 0.00 H new ATOM 387 N ASN A 25 25.586 23.238 11.261 1.00 0.00 N ATOM 388 CA ASN A 25 25.121 24.539 10.813 1.00 0.00 C ATOM 389 C ASN A 25 25.334 25.565 11.921 1.00 0.00 C ATOM 390 O ASN A 25 25.785 26.674 11.622 1.00 0.00 O ATOM 391 CB ASN A 25 23.716 24.653 10.214 1.00 0.00 C ATOM 392 CG ASN A 25 23.471 25.981 9.505 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.218 27.034 10.089 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.628 26.002 8.186 1.00 0.00 N ATOM 0 H ASN A 25 24.820 22.590 11.446 1.00 0.00 H new ATOM 0 HA ASN A 25 25.741 24.740 9.940 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.562 23.837 9.507 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.979 24.531 11.007 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.538 26.881 7.676 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.838 25.140 7.684 1.00 0.00 H new ATOM 401 N VAL A 26 25.042 25.344 13.196 1.00 0.00 N ATOM 402 CA VAL A 26 25.255 26.315 14.253 1.00 0.00 C ATOM 403 C VAL A 26 26.754 26.540 14.490 1.00 0.00 C ATOM 404 O VAL A 26 27.141 27.606 14.961 1.00 0.00 O ATOM 405 CB VAL A 26 24.480 26.012 15.525 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.021 26.402 15.301 1.00 0.00 C ATOM 407 CG2 VAL A 26 24.630 24.609 16.115 1.00 0.00 C ATOM 0 H VAL A 26 24.643 24.466 13.528 1.00 0.00 H new ATOM 0 HA VAL A 26 24.835 27.260 13.909 1.00 0.00 H new ATOM 0 HB VAL A 26 24.936 26.618 16.308 1.00 0.00 H new ATOM 0 HG11 VAL A 26 22.446 26.193 16.203 1.00 0.00 H new ATOM 0 HG12 VAL A 26 22.960 27.466 15.070 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.614 25.827 14.469 1.00 0.00 H new ATOM 0 HG21 VAL A 26 24.026 24.528 17.018 1.00 0.00 H new ATOM 0 HG22 VAL A 26 24.295 23.870 15.387 1.00 0.00 H new ATOM 0 HG23 VAL A 26 25.676 24.428 16.361 1.00 0.00 H new ATOM 417 N LYS A 27 27.558 25.522 14.193 1.00 0.00 N ATOM 418 CA LYS A 27 28.991 25.735 14.162 1.00 0.00 C ATOM 419 C LYS A 27 29.459 26.676 13.047 1.00 0.00 C ATOM 420 O LYS A 27 30.548 27.241 13.073 1.00 0.00 O ATOM 421 CB LYS A 27 29.667 24.362 14.134 1.00 0.00 C ATOM 422 CG LYS A 27 29.592 23.626 15.483 1.00 0.00 C ATOM 423 CD LYS A 27 30.063 22.192 15.243 1.00 0.00 C ATOM 424 CE LYS A 27 30.743 21.602 16.471 1.00 0.00 C ATOM 425 NZ LYS A 27 31.314 20.300 16.098 1.00 0.00 N ATOM 0 H LYS A 27 27.250 24.574 13.978 1.00 0.00 H new ATOM 0 HA LYS A 27 29.292 26.270 15.063 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.198 23.748 13.365 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.712 24.484 13.851 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.221 24.118 16.225 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.573 23.636 15.871 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.210 21.572 14.968 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.755 22.174 14.401 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.525 22.271 16.831 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.026 21.484 17.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.197 19.631 16.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.824 19.934 15.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.326 20.412 15.887 1.00 0.00 H new ATOM 439 N ALA A 28 28.672 26.781 11.988 1.00 0.00 N ATOM 440 CA ALA A 28 28.905 27.842 11.025 1.00 0.00 C ATOM 441 C ALA A 28 28.417 29.190 11.564 1.00 0.00 C ATOM 442 O ALA A 28 29.061 30.167 11.188 1.00 0.00 O ATOM 443 CB ALA A 28 28.196 27.506 9.707 1.00 0.00 C ATOM 0 H ALA A 28 27.888 26.163 11.778 1.00 0.00 H new ATOM 0 HA ALA A 28 29.977 27.922 10.847 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.372 28.304 8.985 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.586 26.568 9.313 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.125 27.408 9.885 1.00 0.00 H new ATOM 449 N LYS A 29 27.310 29.353 12.282 1.00 0.00 N ATOM 450 CA LYS A 29 26.749 30.557 12.868 1.00 0.00 C ATOM 451 C LYS A 29 27.687 31.121 13.940 1.00 0.00 C ATOM 452 O LYS A 29 27.840 32.335 14.016 1.00 0.00 O ATOM 453 CB LYS A 29 25.355 30.279 13.426 1.00 0.00 C ATOM 454 CG LYS A 29 24.242 30.115 12.388 1.00 0.00 C ATOM 455 CD LYS A 29 22.865 29.962 13.026 1.00 0.00 C ATOM 456 CE LYS A 29 21.706 30.045 12.027 1.00 0.00 C ATOM 457 NZ LYS A 29 21.420 28.704 11.487 1.00 0.00 N ATOM 0 H LYS A 29 26.719 28.548 12.488 1.00 0.00 H new ATOM 0 HA LYS A 29 26.648 31.314 12.090 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.400 29.372 14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.083 31.094 14.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.238 30.980 11.725 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.452 29.242 11.770 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.819 29.003 13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.737 30.737 13.781 1.00 0.00 H new ATOM 0 HE2 LYS A 29 20.819 30.447 12.517 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.960 30.728 11.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.704 28.777 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.292 28.294 11.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.062 28.092 12.248 1.00 0.00 H new ATOM 471 N ILE A 30 28.217 30.209 14.750 1.00 0.00 N ATOM 472 CA ILE A 30 29.171 30.496 15.792 1.00 0.00 C ATOM 473 C ILE A 30 30.517 30.846 15.156 1.00 0.00 C ATOM 474 O ILE A 30 31.242 31.696 15.652 1.00 0.00 O ATOM 475 CB ILE A 30 29.313 29.365 16.817 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.006 29.110 17.570 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.345 29.723 17.887 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.956 27.751 18.258 1.00 0.00 C ATOM 0 H ILE A 30 27.979 29.219 14.689 1.00 0.00 H new ATOM 0 HA ILE A 30 28.796 31.349 16.358 1.00 0.00 H new ATOM 0 HB ILE A 30 29.610 28.486 16.245 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.868 29.892 18.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.173 29.186 16.871 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.427 28.904 18.602 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.314 29.892 17.416 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.031 30.628 18.407 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.001 27.638 18.772 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.063 26.962 17.513 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.768 27.679 18.981 1.00 0.00 H new ATOM 490 N GLN A 31 30.806 30.321 13.958 1.00 0.00 N ATOM 491 CA GLN A 31 31.972 30.720 13.209 1.00 0.00 C ATOM 492 C GLN A 31 31.727 32.112 12.623 1.00 0.00 C ATOM 493 O GLN A 31 32.501 33.058 12.741 1.00 0.00 O ATOM 494 CB GLN A 31 32.318 29.757 12.068 1.00 0.00 C ATOM 495 CG GLN A 31 33.725 30.060 11.562 1.00 0.00 C ATOM 496 CD GLN A 31 34.232 29.055 10.527 1.00 0.00 C ATOM 497 OE1 GLN A 31 35.433 28.922 10.298 1.00 0.00 O ATOM 498 NE2 GLN A 31 33.367 28.296 9.877 1.00 0.00 N ATOM 0 H GLN A 31 30.234 29.614 13.496 1.00 0.00 H new ATOM 0 HA GLN A 31 32.815 30.715 13.899 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.259 28.726 12.416 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.597 29.862 11.257 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.738 31.058 11.124 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.411 30.075 12.409 1.00 0.00 H new ATOM 0 HE21 GLN A 31 32.368 28.394 10.056 1.00 0.00 H new ATOM 0 HE22 GLN A 31 33.699 27.612 9.197 1.00 0.00 H new ATOM 507 N ASP A 32 30.582 32.449 12.027 1.00 0.00 N ATOM 508 CA ASP A 32 30.128 33.767 11.643 1.00 0.00 C ATOM 509 C ASP A 32 30.018 34.892 12.676 1.00 0.00 C ATOM 510 O ASP A 32 30.491 36.000 12.449 1.00 0.00 O ATOM 511 CB ASP A 32 28.848 33.738 10.808 1.00 0.00 C ATOM 512 CG ASP A 32 28.340 35.014 10.158 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.149 35.746 9.553 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.116 35.247 10.257 1.00 0.00 O ATOM 0 H ASP A 32 29.895 31.736 11.784 1.00 0.00 H new ATOM 0 HA ASP A 32 31.005 34.055 11.063 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.994 33.005 10.015 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.051 33.360 11.448 1.00 0.00 H new ATOM 519 N LYS A 33 29.543 34.543 13.871 1.00 0.00 N ATOM 520 CA LYS A 33 29.303 35.403 15.008 1.00 0.00 C ATOM 521 C LYS A 33 30.629 35.869 15.613 1.00 0.00 C ATOM 522 O LYS A 33 30.839 37.048 15.900 1.00 0.00 O ATOM 523 CB LYS A 33 28.426 34.704 16.047 1.00 0.00 C ATOM 524 CG LYS A 33 26.941 34.902 15.726 1.00 0.00 C ATOM 525 CD LYS A 33 26.400 36.313 15.961 1.00 0.00 C ATOM 526 CE LYS A 33 25.055 36.668 15.328 1.00 0.00 C ATOM 527 NZ LYS A 33 25.050 36.371 13.879 1.00 0.00 N ATOM 0 H LYS A 33 29.300 33.574 14.075 1.00 0.00 H new ATOM 0 HA LYS A 33 28.761 36.285 14.667 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.659 33.639 16.070 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.644 35.099 17.039 1.00 0.00 H new ATOM 0 HG2 LYS A 33 26.774 34.637 14.682 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.360 34.204 16.329 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.316 36.466 17.037 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.142 37.023 15.595 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.260 36.107 15.819 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.844 37.726 15.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.231 36.832 13.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.926 36.730 13.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.989 35.343 13.736 1.00 0.00 H new ATOM 541 N GLU A 34 31.546 34.983 15.955 1.00 0.00 N ATOM 542 CA GLU A 34 32.693 35.300 16.791 1.00 0.00 C ATOM 543 C GLU A 34 33.998 34.750 16.238 1.00 0.00 C ATOM 544 O GLU A 34 35.040 34.673 16.885 1.00 0.00 O ATOM 545 CB GLU A 34 32.386 34.919 18.243 1.00 0.00 C ATOM 546 CG GLU A 34 31.440 35.914 18.924 1.00 0.00 C ATOM 547 CD GLU A 34 32.022 37.240 19.389 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.134 37.245 19.949 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.399 38.308 19.200 1.00 0.00 O ATOM 0 H GLU A 34 31.516 34.008 15.656 1.00 0.00 H new ATOM 0 HA GLU A 34 32.863 36.377 16.779 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.941 33.924 18.268 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.318 34.865 18.806 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.626 36.130 18.232 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.000 35.419 19.790 1.00 0.00 H new ATOM 556 N GLY A 35 33.958 34.177 15.034 1.00 0.00 N ATOM 557 CA GLY A 35 35.136 33.657 14.369 1.00 0.00 C ATOM 558 C GLY A 35 35.752 32.362 14.906 1.00 0.00 C ATOM 559 O GLY A 35 36.859 32.032 14.492 1.00 0.00 O ATOM 0 H GLY A 35 33.099 34.064 14.496 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.884 33.497 13.321 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.904 34.430 14.398 1.00 0.00 H new ATOM 563 N ILE A 36 35.131 31.572 15.782 1.00 0.00 N ATOM 564 CA ILE A 36 35.631 30.288 16.215 1.00 0.00 C ATOM 565 C ILE A 36 35.286 29.168 15.230 1.00 0.00 C ATOM 566 O ILE A 36 34.104 28.868 15.039 1.00 0.00 O ATOM 567 CB ILE A 36 35.097 29.939 17.608 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.248 31.098 18.596 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.754 28.655 18.145 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.351 30.990 19.831 1.00 0.00 C ATOM 0 H ILE A 36 34.243 31.824 16.216 1.00 0.00 H new ATOM 0 HA ILE A 36 36.717 30.371 16.255 1.00 0.00 H new ATOM 0 HB ILE A 36 34.028 29.755 17.504 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.288 31.152 18.919 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.026 32.032 18.080 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.357 28.430 19.135 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.538 27.826 17.471 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.833 28.798 18.210 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.519 31.850 20.479 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.306 30.968 19.521 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.588 30.075 20.374 1.00 0.00 H new ATOM 582 N PRO A 37 36.311 28.506 14.704 1.00 0.00 N ATOM 583 CA PRO A 37 36.128 27.431 13.759 1.00 0.00 C ATOM 584 C PRO A 37 35.326 26.350 14.491 1.00 0.00 C ATOM 585 O PRO A 37 35.504 26.158 15.692 1.00 0.00 O ATOM 586 CB PRO A 37 37.493 26.824 13.414 1.00 0.00 C ATOM 587 CG PRO A 37 38.442 27.920 13.884 1.00 0.00 C ATOM 588 CD PRO A 37 37.721 28.783 14.909 1.00 0.00 C ATOM 0 HA PRO A 37 35.636 27.786 12.854 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.666 25.882 13.934 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.595 26.623 12.347 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.338 27.481 14.323 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.766 28.528 13.039 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.030 28.532 15.924 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.942 29.840 14.761 1.00 0.00 H new ATOM 596 N PRO A 38 34.490 25.613 13.768 1.00 0.00 N ATOM 597 CA PRO A 38 33.790 24.438 14.221 1.00 0.00 C ATOM 598 C PRO A 38 34.575 23.422 15.054 1.00 0.00 C ATOM 599 O PRO A 38 34.078 23.001 16.099 1.00 0.00 O ATOM 600 CB PRO A 38 33.243 23.786 12.951 1.00 0.00 C ATOM 601 CG PRO A 38 33.019 24.895 11.927 1.00 0.00 C ATOM 602 CD PRO A 38 34.017 25.937 12.427 1.00 0.00 C ATOM 0 HA PRO A 38 33.031 24.763 14.932 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.945 23.046 12.567 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.310 23.263 13.160 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.234 24.570 10.909 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.994 25.265 11.934 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.864 25.991 11.743 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.548 26.921 12.432 1.00 0.00 H new ATOM 610 N ASP A 39 35.764 23.030 14.596 1.00 0.00 N ATOM 611 CA ASP A 39 36.502 21.938 15.184 1.00 0.00 C ATOM 612 C ASP A 39 37.228 22.232 16.498 1.00 0.00 C ATOM 613 O ASP A 39 37.711 21.354 17.208 1.00 0.00 O ATOM 614 CB ASP A 39 37.523 21.594 14.108 1.00 0.00 C ATOM 615 CG ASP A 39 38.071 20.187 14.307 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.354 19.192 14.545 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.312 20.041 14.375 1.00 0.00 O ATOM 0 H ASP A 39 36.234 23.469 13.804 1.00 0.00 H new ATOM 0 HA ASP A 39 35.807 21.146 15.464 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.060 21.672 13.124 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.341 22.314 14.134 1.00 0.00 H new ATOM 622 N GLN A 40 37.317 23.527 16.802 1.00 0.00 N ATOM 623 CA GLN A 40 38.013 24.076 17.952 1.00 0.00 C ATOM 624 C GLN A 40 37.102 24.292 19.162 1.00 0.00 C ATOM 625 O GLN A 40 37.458 25.065 20.047 1.00 0.00 O ATOM 626 CB GLN A 40 38.476 25.443 17.459 1.00 0.00 C ATOM 627 CG GLN A 40 39.380 25.357 16.234 1.00 0.00 C ATOM 628 CD GLN A 40 40.579 24.424 16.344 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.434 23.199 16.457 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.806 24.892 16.538 1.00 0.00 N ATOM 0 H GLN A 40 36.885 24.248 16.224 1.00 0.00 H new ATOM 0 HA GLN A 40 38.802 23.401 18.284 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.604 26.051 17.219 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.009 25.952 18.262 1.00 0.00 H new ATOM 0 HG2 GLN A 40 38.776 25.039 15.385 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.746 26.359 16.008 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.989 25.892 16.459 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.566 24.251 16.766 1.00 0.00 H new ATOM 639 N GLN A 41 35.856 23.836 19.241 1.00 0.00 N ATOM 640 CA GLN A 41 34.910 24.057 20.319 1.00 0.00 C ATOM 641 C GLN A 41 34.241 22.787 20.840 1.00 0.00 C ATOM 642 O GLN A 41 34.355 21.774 20.147 1.00 0.00 O ATOM 643 CB GLN A 41 33.943 25.187 19.961 1.00 0.00 C ATOM 644 CG GLN A 41 33.129 24.904 18.693 1.00 0.00 C ATOM 645 CD GLN A 41 32.374 26.158 18.284 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.642 26.715 19.094 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.319 26.573 17.020 1.00 0.00 N ATOM 0 H GLN A 41 35.457 23.262 18.498 1.00 0.00 H new ATOM 0 HA GLN A 41 35.480 24.391 21.186 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.260 25.350 20.795 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.507 26.110 19.825 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.790 24.586 17.887 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.429 24.088 18.872 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.911 26.137 16.314 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.684 27.327 16.758 1.00 0.00 H new ATOM 656 N ARG A 42 33.589 22.859 21.998 1.00 0.00 N ATOM 657 CA ARG A 42 32.865 21.714 22.523 1.00 0.00 C ATOM 658 C ARG A 42 31.579 22.102 23.243 1.00 0.00 C ATOM 659 O ARG A 42 31.506 23.126 23.935 1.00 0.00 O ATOM 660 CB ARG A 42 33.789 20.895 23.423 1.00 0.00 C ATOM 661 CG ARG A 42 33.340 19.725 24.302 1.00 0.00 C ATOM 662 CD ARG A 42 34.227 19.499 25.522 1.00 0.00 C ATOM 663 NE ARG A 42 33.634 18.366 26.237 1.00 0.00 N ATOM 664 CZ ARG A 42 33.317 18.223 27.537 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.407 19.251 28.389 1.00 0.00 N ATOM 666 NH2 ARG A 42 32.929 17.009 27.938 1.00 0.00 N ATOM 0 H ARG A 42 33.549 23.693 22.584 1.00 0.00 H new ATOM 0 HA ARG A 42 32.552 21.102 21.677 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.569 20.500 22.772 1.00 0.00 H new ATOM 0 HB3 ARG A 42 34.265 21.610 24.094 1.00 0.00 H new ATOM 0 HG2 ARG A 42 32.318 19.904 24.635 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.325 18.816 23.701 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.253 19.281 25.225 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.259 20.387 26.153 1.00 0.00 H new ATOM 0 HE ARG A 42 33.428 17.554 25.655 1.00 0.00 H new ATOM 0 HH11 ARG A 42 33.720 20.163 28.057 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.162 19.123 29.371 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.884 16.241 27.268 1.00 0.00 H new ATOM 0 HH22 ARG A 42 32.678 16.850 28.914 1.00 0.00 H new ATOM 680 N LEU A 43 30.519 21.415 22.835 1.00 0.00 N ATOM 681 CA LEU A 43 29.150 21.781 23.134 1.00 0.00 C ATOM 682 C LEU A 43 28.425 20.845 24.090 1.00 0.00 C ATOM 683 O LEU A 43 28.532 19.629 23.914 1.00 0.00 O ATOM 684 CB LEU A 43 28.438 21.873 21.789 1.00 0.00 C ATOM 685 CG LEU A 43 29.027 22.670 20.631 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.156 22.446 19.394 1.00 0.00 C ATOM 687 CD2 LEU A 43 29.150 24.172 20.892 1.00 0.00 C ATOM 0 H LEU A 43 30.595 20.567 22.273 1.00 0.00 H new ATOM 0 HA LEU A 43 29.148 22.728 23.674 1.00 0.00 H new ATOM 0 HB2 LEU A 43 28.299 20.852 21.433 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.446 22.281 21.983 1.00 0.00 H new ATOM 0 HG LEU A 43 30.045 22.307 20.490 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.564 23.010 18.555 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.143 21.385 19.146 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.140 22.784 19.598 1.00 0.00 H new ATOM 0 HD21 LEU A 43 29.578 24.660 20.016 1.00 0.00 H new ATOM 0 HD22 LEU A 43 28.163 24.588 21.093 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.797 24.340 21.753 1.00 0.00 H new ATOM 699 N ILE A 44 27.548 21.388 24.933 1.00 0.00 N ATOM 700 CA ILE A 44 27.115 20.792 26.175 1.00 0.00 C ATOM 701 C ILE A 44 25.680 21.326 26.213 1.00 0.00 C ATOM 702 O ILE A 44 25.406 22.474 25.878 1.00 0.00 O ATOM 703 CB ILE A 44 28.048 21.151 27.331 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.418 22.637 27.329 1.00 0.00 C ATOM 705 CG2 ILE A 44 29.274 20.258 27.515 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.026 23.320 28.556 1.00 0.00 C ATOM 0 H ILE A 44 27.108 22.291 24.753 1.00 0.00 H new ATOM 0 HA ILE A 44 27.144 19.706 26.261 1.00 0.00 H new ATOM 0 HB ILE A 44 27.446 20.941 28.215 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.118 22.786 26.507 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.511 23.187 27.080 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.858 20.612 28.365 1.00 0.00 H new ATOM 0 HG22 ILE A 44 28.953 19.232 27.697 1.00 0.00 H new ATOM 0 HG23 ILE A 44 29.887 20.292 26.614 1.00 0.00 H new ATOM 0 HD11 ILE A 44 29.209 24.371 28.334 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.335 23.241 29.396 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.967 22.834 28.814 1.00 0.00 H new ATOM 718 N PHE A 45 24.743 20.521 26.710 1.00 0.00 N ATOM 719 CA PHE A 45 23.443 20.974 27.170 1.00 0.00 C ATOM 720 C PHE A 45 22.906 19.789 27.960 1.00 0.00 C ATOM 721 O PHE A 45 22.685 18.721 27.391 1.00 0.00 O ATOM 722 CB PHE A 45 22.514 21.386 26.029 1.00 0.00 C ATOM 723 CG PHE A 45 21.118 21.812 26.433 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.793 23.134 26.749 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.104 20.840 26.429 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.477 23.501 27.043 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.831 21.165 26.911 1.00 0.00 C ATOM 728 CZ PHE A 45 18.490 22.502 27.131 1.00 0.00 C ATOM 0 H PHE A 45 24.875 19.514 26.804 1.00 0.00 H new ATOM 0 HA PHE A 45 23.515 21.880 27.771 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.980 22.208 25.485 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.431 20.550 25.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.571 23.883 26.766 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.306 19.847 26.056 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.221 24.538 27.201 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.113 20.384 27.113 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.471 22.768 27.368 1.00 0.00 H new ATOM 738 N ALA A 46 22.505 20.006 29.214 1.00 0.00 N ATOM 739 CA ALA A 46 21.721 19.226 30.143 1.00 0.00 C ATOM 740 C ALA A 46 22.316 17.878 30.558 1.00 0.00 C ATOM 741 O ALA A 46 21.591 16.901 30.746 1.00 0.00 O ATOM 742 CB ALA A 46 20.357 18.936 29.501 1.00 0.00 C ATOM 0 H ALA A 46 22.776 20.882 29.661 1.00 0.00 H new ATOM 0 HA ALA A 46 21.672 19.832 31.048 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.749 18.347 30.188 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.850 19.876 29.283 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.502 18.379 28.575 1.00 0.00 H new ATOM 748 N GLY A 47 23.630 17.806 30.705 1.00 0.00 N ATOM 749 CA GLY A 47 24.294 16.612 31.189 1.00 0.00 C ATOM 750 C GLY A 47 24.854 15.732 30.074 1.00 0.00 C ATOM 751 O GLY A 47 25.618 14.821 30.374 1.00 0.00 O ATOM 0 H GLY A 47 24.264 18.576 30.491 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.107 16.902 31.855 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.589 16.029 31.782 1.00 0.00 H new ATOM 755 N LYS A 48 24.481 16.012 28.831 1.00 0.00 N ATOM 756 CA LYS A 48 24.690 15.362 27.553 1.00 0.00 C ATOM 757 C LYS A 48 25.609 16.265 26.733 1.00 0.00 C ATOM 758 O LYS A 48 25.393 17.470 26.606 1.00 0.00 O ATOM 759 CB LYS A 48 23.352 15.230 26.845 1.00 0.00 C ATOM 760 CG LYS A 48 22.225 14.606 27.677 1.00 0.00 C ATOM 761 CD LYS A 48 20.927 14.364 26.903 1.00 0.00 C ATOM 762 CE LYS A 48 19.628 14.298 27.707 1.00 0.00 C ATOM 763 NZ LYS A 48 18.661 13.275 27.277 1.00 0.00 N ATOM 0 H LYS A 48 23.925 16.854 28.681 1.00 0.00 H new ATOM 0 HA LYS A 48 25.129 14.372 27.678 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.034 16.220 26.519 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.493 14.628 25.947 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.573 13.657 28.084 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.012 15.257 28.525 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.824 15.157 26.162 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.032 13.428 26.355 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.878 14.118 28.752 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.143 15.273 27.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.819 13.315 27.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.384 13.452 26.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.096 12.333 27.350 1.00 0.00 H new ATOM 777 N GLN A 49 26.577 15.532 26.175 1.00 0.00 N ATOM 778 CA GLN A 49 27.473 16.090 25.189 1.00 0.00 C ATOM 779 C GLN A 49 26.844 16.015 23.795 1.00 0.00 C ATOM 780 O GLN A 49 26.529 14.904 23.380 1.00 0.00 O ATOM 781 CB GLN A 49 28.783 15.308 25.121 1.00 0.00 C ATOM 782 CG GLN A 49 29.702 15.593 26.315 1.00 0.00 C ATOM 783 CD GLN A 49 30.814 14.575 26.538 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.221 14.427 27.692 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.179 13.809 25.514 1.00 0.00 N ATOM 0 H GLN A 49 26.751 14.552 26.397 1.00 0.00 H new ATOM 0 HA GLN A 49 27.662 17.122 25.486 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.563 14.241 25.083 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.305 15.559 24.198 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.153 16.576 26.179 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.093 15.645 27.217 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.802 13.988 24.583 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.836 13.042 25.659 1.00 0.00 H new ATOM 794 N LEU A 50 26.706 17.107 23.052 1.00 0.00 N ATOM 795 CA LEU A 50 25.915 17.210 21.830 1.00 0.00 C ATOM 796 C LEU A 50 26.725 16.877 20.575 1.00 0.00 C ATOM 797 O LEU A 50 27.794 17.419 20.287 1.00 0.00 O ATOM 798 CB LEU A 50 25.338 18.613 21.655 1.00 0.00 C ATOM 799 CG LEU A 50 24.622 19.214 22.858 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.856 20.451 22.385 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.654 18.281 23.573 1.00 0.00 C ATOM 0 H LEU A 50 27.163 17.986 23.296 1.00 0.00 H new ATOM 0 HA LEU A 50 25.113 16.481 21.943 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.151 19.282 21.374 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.639 18.591 20.819 1.00 0.00 H new ATOM 0 HG LEU A 50 25.397 19.445 23.589 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.334 20.901 23.230 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.556 21.174 21.965 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.132 20.161 21.623 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.198 18.804 24.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.877 17.962 22.879 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.194 17.408 23.940 1.00 0.00 H new ATOM 813 N GLU A 51 26.352 15.804 19.883 1.00 0.00 N ATOM 814 CA GLU A 51 26.982 15.165 18.737 1.00 0.00 C ATOM 815 C GLU A 51 26.565 15.723 17.374 1.00 0.00 C ATOM 816 O GLU A 51 25.385 16.016 17.233 1.00 0.00 O ATOM 817 CB GLU A 51 26.474 13.724 18.802 1.00 0.00 C ATOM 818 CG GLU A 51 27.094 12.998 19.993 1.00 0.00 C ATOM 819 CD GLU A 51 26.755 11.526 19.817 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.870 10.917 18.737 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.417 10.859 20.826 1.00 0.00 O ATOM 0 H GLU A 51 25.501 15.306 20.145 1.00 0.00 H new ATOM 0 HA GLU A 51 28.061 15.309 18.800 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.387 13.718 18.889 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.723 13.201 17.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.173 13.148 20.021 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.694 13.380 20.932 1.00 0.00 H new ATOM 828 N ASP A 52 27.476 15.852 16.408 1.00 0.00 N ATOM 829 CA ASP A 52 27.237 16.478 15.128 1.00 0.00 C ATOM 830 C ASP A 52 26.426 15.514 14.256 1.00 0.00 C ATOM 831 O ASP A 52 26.861 14.363 14.222 1.00 0.00 O ATOM 832 CB ASP A 52 28.528 16.758 14.353 1.00 0.00 C ATOM 833 CG ASP A 52 29.512 17.695 15.038 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.371 17.108 15.727 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.525 18.935 14.835 1.00 0.00 O ATOM 0 H ASP A 52 28.431 15.508 16.509 1.00 0.00 H new ATOM 0 HA ASP A 52 26.725 17.419 15.330 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.029 15.809 14.161 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.265 17.181 13.383 1.00 0.00 H new ATOM 840 N GLY A 53 25.400 15.946 13.543 1.00 0.00 N ATOM 841 CA GLY A 53 24.564 15.059 12.763 1.00 0.00 C ATOM 842 C GLY A 53 23.130 15.025 13.308 1.00 0.00 C ATOM 843 O GLY A 53 22.264 14.396 12.721 1.00 0.00 O ATOM 0 H GLY A 53 25.125 16.927 13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.553 15.386 11.723 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.985 14.054 12.776 1.00 0.00 H new ATOM 847 N ARG A 54 22.829 15.646 14.445 1.00 0.00 N ATOM 848 CA ARG A 54 21.583 15.829 15.167 1.00 0.00 C ATOM 849 C ARG A 54 21.148 17.286 14.991 1.00 0.00 C ATOM 850 O ARG A 54 21.950 18.159 14.682 1.00 0.00 O ATOM 851 CB ARG A 54 21.917 15.521 16.621 1.00 0.00 C ATOM 852 CG ARG A 54 22.703 14.242 16.896 1.00 0.00 C ATOM 853 CD ARG A 54 21.880 13.034 16.463 1.00 0.00 C ATOM 854 NE ARG A 54 21.011 12.620 17.560 1.00 0.00 N ATOM 855 CZ ARG A 54 21.170 11.908 18.676 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.301 11.249 18.962 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.163 11.696 19.535 1.00 0.00 N ATOM 0 H ARG A 54 23.582 16.104 14.958 1.00 0.00 H new ATOM 0 HA ARG A 54 20.771 15.191 14.817 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.484 16.360 17.023 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.983 15.471 17.180 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.650 14.262 16.357 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.942 14.171 17.957 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.283 13.283 15.586 1.00 0.00 H new ATOM 0 HD3 ARG A 54 22.539 12.214 16.178 1.00 0.00 H new ATOM 0 HE ARG A 54 20.054 12.955 17.446 1.00 0.00 H new ATOM 0 HH11 ARG A 54 23.087 11.279 18.313 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.376 10.717 19.829 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.239 12.085 19.344 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.320 11.146 20.380 1.00 0.00 H new ATOM 871 N THR A 55 19.833 17.504 15.118 1.00 0.00 N ATOM 872 CA THR A 55 19.215 18.808 15.118 1.00 0.00 C ATOM 873 C THR A 55 18.896 19.164 16.579 1.00 0.00 C ATOM 874 O THR A 55 18.890 18.302 17.453 1.00 0.00 O ATOM 875 CB THR A 55 17.954 18.724 14.272 1.00 0.00 C ATOM 876 OG1 THR A 55 16.951 17.873 14.792 1.00 0.00 O ATOM 877 CG2 THR A 55 18.201 18.309 12.825 1.00 0.00 C ATOM 0 H THR A 55 19.161 16.744 15.226 1.00 0.00 H new ATOM 0 HA THR A 55 19.861 19.580 14.700 1.00 0.00 H new ATOM 0 HB THR A 55 17.599 19.754 14.303 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.176 17.876 14.192 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.252 18.273 12.290 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.860 19.033 12.346 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.667 17.324 12.804 1.00 0.00 H new ATOM 885 N LEU A 56 18.657 20.429 16.906 1.00 0.00 N ATOM 886 CA LEU A 56 18.494 20.999 18.230 1.00 0.00 C ATOM 887 C LEU A 56 17.295 20.412 18.975 1.00 0.00 C ATOM 888 O LEU A 56 17.264 20.244 20.200 1.00 0.00 O ATOM 889 CB LEU A 56 18.335 22.520 18.233 1.00 0.00 C ATOM 890 CG LEU A 56 19.195 23.439 17.357 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.725 24.894 17.408 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.687 23.461 17.688 1.00 0.00 C ATOM 0 H LEU A 56 18.565 21.142 16.183 1.00 0.00 H new ATOM 0 HA LEU A 56 19.423 20.738 18.737 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.296 22.726 17.975 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.478 22.847 19.263 1.00 0.00 H new ATOM 0 HG LEU A 56 19.065 22.998 16.369 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.365 25.506 16.772 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.696 24.957 17.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.779 25.258 18.434 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.200 24.142 17.009 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.827 23.798 18.715 1.00 0.00 H new ATOM 0 HD23 LEU A 56 21.099 22.458 17.576 1.00 0.00 H new ATOM 904 N SER A 57 16.322 19.958 18.198 1.00 0.00 N ATOM 905 CA SER A 57 15.070 19.349 18.596 1.00 0.00 C ATOM 906 C SER A 57 15.321 17.943 19.166 1.00 0.00 C ATOM 907 O SER A 57 14.546 17.441 19.970 1.00 0.00 O ATOM 908 CB SER A 57 14.173 19.291 17.361 1.00 0.00 C ATOM 909 OG SER A 57 12.885 18.810 17.660 1.00 0.00 O ATOM 0 H SER A 57 16.400 20.014 17.183 1.00 0.00 H new ATOM 0 HA SER A 57 14.586 19.933 19.379 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.095 20.287 16.924 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.633 18.649 16.610 1.00 0.00 H new ATOM 0 HG SER A 57 12.345 18.791 16.842 1.00 0.00 H new ATOM 915 N ASP A 58 16.404 17.274 18.801 1.00 0.00 N ATOM 916 CA ASP A 58 16.833 15.941 19.170 1.00 0.00 C ATOM 917 C ASP A 58 17.074 15.885 20.680 1.00 0.00 C ATOM 918 O ASP A 58 16.565 14.926 21.267 1.00 0.00 O ATOM 919 CB ASP A 58 18.091 15.484 18.427 1.00 0.00 C ATOM 920 CG ASP A 58 18.181 13.981 18.223 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.113 13.208 19.206 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.570 13.659 17.079 1.00 0.00 O ATOM 0 H ASP A 58 17.077 17.705 18.167 1.00 0.00 H new ATOM 0 HA ASP A 58 16.035 15.257 18.882 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.123 15.974 17.454 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.968 15.818 18.981 1.00 0.00 H new ATOM 927 N TYR A 59 17.839 16.841 21.182 1.00 0.00 N ATOM 928 CA TYR A 59 18.154 16.977 22.589 1.00 0.00 C ATOM 929 C TYR A 59 17.164 17.868 23.348 1.00 0.00 C ATOM 930 O TYR A 59 17.470 18.358 24.421 1.00 0.00 O ATOM 931 CB TYR A 59 19.612 17.441 22.642 1.00 0.00 C ATOM 932 CG TYR A 59 20.740 16.495 22.321 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.185 15.524 23.228 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.220 16.522 21.006 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.309 14.743 22.905 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.356 15.767 20.702 1.00 0.00 C ATOM 937 CZ TYR A 59 22.911 14.905 21.659 1.00 0.00 C ATOM 938 OH TYR A 59 24.016 14.198 21.268 1.00 0.00 O ATOM 0 H TYR A 59 18.268 17.562 20.603 1.00 0.00 H new ATOM 0 HA TYR A 59 18.047 16.030 23.118 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.702 18.288 21.962 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.790 17.820 23.648 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.670 15.377 24.166 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.726 17.110 20.247 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.700 14.027 23.613 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.809 15.848 19.725 1.00 0.00 H new ATOM 0 HH TYR A 59 23.804 13.676 20.466 1.00 0.00 H new ATOM 948 N ASN A 60 16.022 18.193 22.745 1.00 0.00 N ATOM 949 CA ASN A 60 14.950 19.039 23.229 1.00 0.00 C ATOM 950 C ASN A 60 15.356 20.456 23.657 1.00 0.00 C ATOM 951 O ASN A 60 14.982 20.822 24.773 1.00 0.00 O ATOM 952 CB ASN A 60 14.143 18.296 24.292 1.00 0.00 C ATOM 953 CG ASN A 60 13.538 16.949 23.945 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.145 15.889 24.082 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.272 16.927 23.523 1.00 0.00 N ATOM 0 H ASN A 60 15.811 17.831 21.815 1.00 0.00 H new ATOM 0 HA ASN A 60 14.311 19.237 22.369 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.790 18.153 25.157 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.330 18.951 24.606 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.818 16.037 23.318 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.758 17.800 23.406 1.00 0.00 H new ATOM 962 N ILE A 61 16.275 21.168 23.006 1.00 0.00 N ATOM 963 CA ILE A 61 16.722 22.463 23.480 1.00 0.00 C ATOM 964 C ILE A 61 15.584 23.440 23.183 1.00 0.00 C ATOM 965 O ILE A 61 15.173 23.610 22.033 1.00 0.00 O ATOM 966 CB ILE A 61 17.976 22.832 22.691 1.00 0.00 C ATOM 967 CG1 ILE A 61 19.121 21.931 23.154 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.405 24.305 22.635 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.426 21.924 22.350 1.00 0.00 C ATOM 0 H ILE A 61 16.723 20.861 22.143 1.00 0.00 H new ATOM 0 HA ILE A 61 16.959 22.476 24.544 1.00 0.00 H new ATOM 0 HB ILE A 61 17.701 22.661 21.650 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.366 22.209 24.179 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.745 20.908 23.183 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.312 24.397 22.037 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.610 24.899 22.183 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.598 24.666 23.645 1.00 0.00 H new ATOM 0 HD11 ILE A 61 21.133 21.234 22.810 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.222 21.606 21.328 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.852 22.927 22.340 1.00 0.00 H new ATOM 981 N GLN A 62 15.042 24.107 24.198 1.00 0.00 N ATOM 982 CA GLN A 62 14.012 25.118 24.057 1.00 0.00 C ATOM 983 C GLN A 62 14.561 26.526 23.829 1.00 0.00 C ATOM 984 O GLN A 62 15.747 26.842 23.963 1.00 0.00 O ATOM 985 CB GLN A 62 13.204 25.080 25.356 1.00 0.00 C ATOM 986 CG GLN A 62 12.458 23.796 25.715 1.00 0.00 C ATOM 987 CD GLN A 62 11.898 23.876 27.128 1.00 0.00 C ATOM 988 OE1 GLN A 62 12.064 24.868 27.839 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.240 22.797 27.547 1.00 0.00 N ATOM 0 H GLN A 62 15.319 23.951 25.167 1.00 0.00 H new ATOM 0 HA GLN A 62 13.412 24.897 23.174 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.885 25.308 26.176 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.473 25.887 25.315 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.647 23.630 25.006 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.132 22.943 25.633 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.125 21.996 26.926 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.851 22.771 28.489 1.00 0.00 H new ATOM 998 N LYS A 63 13.683 27.418 23.389 1.00 0.00 N ATOM 999 CA LYS A 63 14.012 28.778 22.996 1.00 0.00 C ATOM 1000 C LYS A 63 14.489 29.578 24.204 1.00 0.00 C ATOM 1001 O LYS A 63 14.225 29.194 25.336 1.00 0.00 O ATOM 1002 CB LYS A 63 12.798 29.332 22.245 1.00 0.00 C ATOM 1003 CG LYS A 63 11.420 29.491 22.888 1.00 0.00 C ATOM 1004 CD LYS A 63 11.259 30.887 23.508 1.00 0.00 C ATOM 1005 CE LYS A 63 9.902 31.066 24.184 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.622 32.479 24.491 1.00 0.00 N ATOM 0 H LYS A 63 12.690 27.206 23.293 1.00 0.00 H new ATOM 0 HA LYS A 63 14.858 28.837 22.311 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.084 30.318 21.880 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.659 28.696 21.370 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.645 29.330 22.139 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.283 28.730 23.656 1.00 0.00 H new ATOM 0 HD2 LYS A 63 12.051 31.052 24.238 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.379 31.643 22.732 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.119 30.674 23.535 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.875 30.483 25.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.601 32.656 24.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.933 32.692 25.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.134 33.088 23.821 1.00 0.00 H new ATOM 1020 N GLU A 64 15.131 30.716 23.926 1.00 0.00 N ATOM 1021 CA GLU A 64 15.631 31.719 24.851 1.00 0.00 C ATOM 1022 C GLU A 64 16.426 31.300 26.092 1.00 0.00 C ATOM 1023 O GLU A 64 16.670 32.048 27.045 1.00 0.00 O ATOM 1024 CB GLU A 64 14.504 32.662 25.237 1.00 0.00 C ATOM 1025 CG GLU A 64 13.563 32.302 26.384 1.00 0.00 C ATOM 1026 CD GLU A 64 12.272 33.094 26.488 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.293 34.340 26.577 1.00 0.00 O ATOM 1028 OE2 GLU A 64 11.227 32.429 26.664 1.00 0.00 O ATOM 0 H GLU A 64 15.328 30.975 22.959 1.00 0.00 H new ATOM 0 HA GLU A 64 16.415 32.193 24.260 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.956 33.624 25.479 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.890 32.812 24.349 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.307 31.246 26.294 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.109 32.419 27.320 1.00 0.00 H new ATOM 1035 N SER A 65 16.805 30.027 26.148 1.00 0.00 N ATOM 1036 CA SER A 65 17.653 29.434 27.160 1.00 0.00 C ATOM 1037 C SER A 65 19.096 29.871 26.879 1.00 0.00 C ATOM 1038 O SER A 65 19.425 30.227 25.754 1.00 0.00 O ATOM 1039 CB SER A 65 17.596 27.931 26.888 1.00 0.00 C ATOM 1040 OG SER A 65 16.324 27.381 27.123 1.00 0.00 O ATOM 0 H SER A 65 16.508 29.349 25.446 1.00 0.00 H new ATOM 0 HA SER A 65 17.350 29.709 28.170 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.882 27.743 25.853 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.327 27.425 27.518 1.00 0.00 H new ATOM 0 HG SER A 65 15.923 27.110 26.271 1.00 0.00 H new ATOM 1046 N THR A 66 19.917 29.888 27.928 1.00 0.00 N ATOM 1047 CA THR A 66 21.337 30.189 27.913 1.00 0.00 C ATOM 1048 C THR A 66 22.014 28.814 27.842 1.00 0.00 C ATOM 1049 O THR A 66 21.837 27.980 28.720 1.00 0.00 O ATOM 1050 CB THR A 66 21.750 31.045 29.108 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.251 32.359 28.982 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.249 31.361 29.104 1.00 0.00 C ATOM 0 H THR A 66 19.581 29.678 28.868 1.00 0.00 H new ATOM 0 HA THR A 66 21.639 30.805 27.066 1.00 0.00 H new ATOM 0 HB THR A 66 21.401 30.477 29.970 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.526 32.889 29.759 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.494 31.972 29.973 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.817 30.431 29.142 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.504 31.905 28.194 1.00 0.00 H new ATOM 1060 N LEU A 67 22.604 28.571 26.667 1.00 0.00 N ATOM 1061 CA LEU A 67 23.422 27.417 26.366 1.00 0.00 C ATOM 1062 C LEU A 67 24.870 27.869 26.527 1.00 0.00 C ATOM 1063 O LEU A 67 25.228 28.923 25.996 1.00 0.00 O ATOM 1064 CB LEU A 67 23.181 26.999 24.905 1.00 0.00 C ATOM 1065 CG LEU A 67 24.206 26.017 24.344 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.429 24.896 23.654 1.00 0.00 C ATOM 1067 CD2 LEU A 67 25.089 26.655 23.268 1.00 0.00 C ATOM 0 H LEU A 67 22.514 29.206 25.874 1.00 0.00 H new ATOM 0 HA LEU A 67 23.190 26.574 27.017 1.00 0.00 H new ATOM 0 HB2 LEU A 67 22.190 26.552 24.828 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.176 27.893 24.282 1.00 0.00 H new ATOM 0 HG LEU A 67 24.836 25.676 25.165 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.129 24.171 23.238 1.00 0.00 H new ATOM 0 HD12 LEU A 67 22.782 24.402 24.379 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.821 25.315 22.852 1.00 0.00 H new ATOM 0 HD21 LEU A 67 25.802 25.918 22.899 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.465 27.001 22.444 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.629 27.501 23.694 1.00 0.00 H new ATOM 1079 N HIS A 68 25.660 27.180 27.340 1.00 0.00 N ATOM 1080 CA HIS A 68 27.082 27.313 27.587 1.00 0.00 C ATOM 1081 C HIS A 68 27.854 26.576 26.491 1.00 0.00 C ATOM 1082 O HIS A 68 27.320 25.545 26.082 1.00 0.00 O ATOM 1083 CB HIS A 68 27.568 26.723 28.904 1.00 0.00 C ATOM 1084 CG HIS A 68 27.046 27.225 30.229 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.282 26.509 31.402 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.252 28.311 30.468 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.629 27.153 32.377 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.955 28.169 31.807 1.00 0.00 N ATOM 0 H HIS A 68 25.269 26.427 27.906 1.00 0.00 H new ATOM 0 HA HIS A 68 27.258 28.388 27.612 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.364 25.653 28.867 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.651 26.841 28.924 1.00 0.00 H new ATOM 0 HD2 HIS A 68 25.937 29.084 29.783 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.641 26.903 33.428 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.298 28.767 32.309 1.00 0.00 H new ATOM 1096 N LEU A 69 29.051 27.025 26.117 1.00 0.00 N ATOM 1097 CA LEU A 69 30.029 26.307 25.309 1.00 0.00 C ATOM 1098 C LEU A 69 31.466 26.288 25.839 1.00 0.00 C ATOM 1099 O LEU A 69 31.783 26.979 26.809 1.00 0.00 O ATOM 1100 CB LEU A 69 29.845 26.661 23.826 1.00 0.00 C ATOM 1101 CG LEU A 69 30.123 28.069 23.306 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.604 28.417 23.461 1.00 0.00 C ATOM 1103 CD2 LEU A 69 29.860 28.116 21.802 1.00 0.00 C ATOM 0 H LEU A 69 29.381 27.952 26.386 1.00 0.00 H new ATOM 0 HA LEU A 69 29.809 25.244 25.407 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.478 25.981 23.256 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.812 26.426 23.569 1.00 0.00 H new ATOM 0 HG LEU A 69 29.488 28.755 23.867 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.782 29.424 23.085 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.881 28.369 24.514 1.00 0.00 H new ATOM 0 HD13 LEU A 69 32.206 27.706 22.895 1.00 0.00 H new ATOM 0 HD21 LEU A 69 30.058 29.121 21.429 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.514 27.406 21.296 1.00 0.00 H new ATOM 0 HD23 LEU A 69 28.820 27.855 21.606 1.00 0.00 H new ATOM 1115 N VAL A 70 32.353 25.456 25.303 1.00 0.00 N ATOM 1116 CA VAL A 70 33.711 25.272 25.764 1.00 0.00 C ATOM 1117 C VAL A 70 34.544 25.562 24.515 1.00 0.00 C ATOM 1118 O VAL A 70 34.321 24.853 23.548 1.00 0.00 O ATOM 1119 CB VAL A 70 33.909 23.821 26.210 1.00 0.00 C ATOM 1120 CG1 VAL A 70 35.361 23.472 26.550 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.958 23.292 27.268 1.00 0.00 C ATOM 0 H VAL A 70 32.128 24.869 24.500 1.00 0.00 H new ATOM 0 HA VAL A 70 33.977 25.905 26.611 1.00 0.00 H new ATOM 0 HB VAL A 70 33.631 23.284 25.303 1.00 0.00 H new ATOM 0 HG11 VAL A 70 35.422 22.428 26.857 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.988 23.629 25.672 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.708 24.110 27.363 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.206 22.255 27.494 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.050 23.892 28.173 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.934 23.348 26.898 1.00 0.00 H new ATOM 1131 N LEU A 71 35.682 26.242 24.657 1.00 0.00 N ATOM 1132 CA LEU A 71 36.748 26.328 23.676 1.00 0.00 C ATOM 1133 C LEU A 71 37.622 25.113 23.951 1.00 0.00 C ATOM 1134 O LEU A 71 38.061 24.918 25.085 1.00 0.00 O ATOM 1135 CB LEU A 71 37.494 27.659 23.760 1.00 0.00 C ATOM 1136 CG LEU A 71 38.076 28.256 22.479 1.00 0.00 C ATOM 1137 CD1 LEU A 71 36.934 28.729 21.578 1.00 0.00 C ATOM 1138 CD2 LEU A 71 39.148 29.334 22.679 1.00 0.00 C ATOM 0 H LEU A 71 35.889 26.772 25.504 1.00 0.00 H new ATOM 0 HA LEU A 71 36.379 26.313 22.650 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.812 28.394 24.187 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.313 27.535 24.469 1.00 0.00 H new ATOM 0 HG LEU A 71 38.628 27.454 21.989 1.00 0.00 H new ATOM 0 HD11 LEU A 71 37.345 29.156 20.663 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.293 27.883 21.328 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.348 29.486 22.100 1.00 0.00 H new ATOM 0 HD21 LEU A 71 39.493 29.689 21.708 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.726 30.167 23.241 1.00 0.00 H new ATOM 0 HD23 LEU A 71 39.989 28.913 23.230 1.00 0.00 H new ATOM 1150 N ARG A 72 37.842 24.200 23.007 1.00 0.00 N ATOM 1151 CA ARG A 72 38.461 22.894 23.040 1.00 0.00 C ATOM 1152 C ARG A 72 39.980 22.999 23.217 1.00 0.00 C ATOM 1153 O ARG A 72 40.709 22.028 23.370 1.00 0.00 O ATOM 1154 CB ARG A 72 38.068 22.125 21.785 1.00 0.00 C ATOM 1155 CG ARG A 72 38.489 20.655 21.798 1.00 0.00 C ATOM 1156 CD ARG A 72 38.118 20.010 20.463 1.00 0.00 C ATOM 1157 NE ARG A 72 38.992 18.851 20.258 1.00 0.00 N ATOM 1158 CZ ARG A 72 39.618 18.556 19.118 1.00 0.00 C ATOM 1159 NH1 ARG A 72 39.285 18.999 17.899 1.00 0.00 N ATOM 1160 NH2 ARG A 72 40.705 17.779 19.238 1.00 0.00 N ATOM 0 H ARG A 72 37.537 24.404 22.055 1.00 0.00 H new ATOM 0 HA ARG A 72 38.100 22.340 23.907 1.00 0.00 H new ATOM 0 HB2 ARG A 72 36.987 22.181 21.661 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.514 22.612 20.918 1.00 0.00 H new ATOM 0 HG2 ARG A 72 39.563 20.574 21.968 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.996 20.131 22.617 1.00 0.00 H new ATOM 0 HD2 ARG A 72 37.072 19.702 20.467 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.237 20.725 19.649 1.00 0.00 H new ATOM 0 HE ARG A 72 39.132 18.222 21.048 1.00 0.00 H new ATOM 0 HH11 ARG A 72 38.486 19.622 17.784 1.00 0.00 H new ATOM 0 HH12 ARG A 72 39.831 18.714 17.086 1.00 0.00 H new ATOM 0 HH21 ARG A 72 41.001 17.455 20.159 1.00 0.00 H new ATOM 0 HH22 ARG A 72 41.235 17.512 18.408 1.00 0.00 H new ATOM 1174 N LEU A 73 40.554 24.152 22.881 1.00 0.00 N ATOM 1175 CA LEU A 73 41.929 24.544 23.131 1.00 0.00 C ATOM 1176 C LEU A 73 41.820 26.032 23.473 1.00 0.00 C ATOM 1177 O LEU A 73 40.985 26.736 22.912 1.00 0.00 O ATOM 1178 CB LEU A 73 42.910 24.197 22.010 1.00 0.00 C ATOM 1179 CG LEU A 73 42.483 24.304 20.546 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.327 23.361 20.197 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.324 25.713 19.983 1.00 0.00 C ATOM 0 H LEU A 73 40.032 24.881 22.395 1.00 0.00 H new ATOM 0 HA LEU A 73 42.379 23.976 23.945 1.00 0.00 H new ATOM 0 HB2 LEU A 73 43.784 24.836 22.138 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.238 23.171 22.175 1.00 0.00 H new ATOM 0 HG LEU A 73 43.357 23.945 20.002 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.066 23.479 19.145 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.630 22.330 20.382 1.00 0.00 H new ATOM 0 HD13 LEU A 73 40.462 23.601 20.815 1.00 0.00 H new ATOM 0 HD21 LEU A 73 42.019 25.655 18.938 1.00 0.00 H new ATOM 0 HD22 LEU A 73 41.566 26.249 20.553 1.00 0.00 H new ATOM 0 HD23 LEU A 73 43.274 26.243 20.055 1.00 0.00 H new ATOM 1193 N ARG A 74 42.669 26.527 24.372 1.00 0.00 N ATOM 1194 CA ARG A 74 42.835 27.943 24.659 1.00 0.00 C ATOM 1195 C ARG A 74 44.285 28.314 24.982 1.00 0.00 C ATOM 1196 O ARG A 74 44.806 27.897 26.016 1.00 0.00 O ATOM 1197 CB ARG A 74 41.814 28.316 25.727 1.00 0.00 C ATOM 1198 CG ARG A 74 41.664 29.803 26.067 1.00 0.00 C ATOM 1199 CD ARG A 74 40.524 30.075 27.038 1.00 0.00 C ATOM 1200 NE ARG A 74 40.505 31.503 27.381 1.00 0.00 N ATOM 1201 CZ ARG A 74 40.460 32.076 28.591 1.00 0.00 C ATOM 1202 NH1 ARG A 74 40.176 31.350 29.687 1.00 0.00 N ATOM 1203 NH2 ARG A 74 40.529 33.411 28.662 1.00 0.00 N ATOM 0 H ARG A 74 43.277 25.932 24.935 1.00 0.00 H new ATOM 0 HA ARG A 74 42.633 28.546 23.774 1.00 0.00 H new ATOM 0 HB2 ARG A 74 40.841 27.943 25.408 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.074 27.785 26.643 1.00 0.00 H new ATOM 0 HG2 ARG A 74 42.596 30.168 26.497 1.00 0.00 H new ATOM 0 HG3 ARG A 74 41.495 30.365 25.149 1.00 0.00 H new ATOM 0 HD2 ARG A 74 39.573 29.785 26.590 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.648 29.475 27.939 1.00 0.00 H new ATOM 0 HE ARG A 74 40.529 32.146 26.590 1.00 0.00 H new ATOM 0 HH11 ARG A 74 39.992 30.350 29.603 1.00 0.00 H new ATOM 0 HH12 ARG A 74 40.145 31.799 30.602 1.00 0.00 H new ATOM 0 HH21 ARG A 74 40.613 33.963 27.809 1.00 0.00 H new ATOM 0 HH22 ARG A 74 40.497 33.876 29.569 1.00 0.00 H new ATOM 1217 N GLY A 75 44.931 29.073 24.101 1.00 0.00 N ATOM 1218 CA GLY A 75 46.332 29.347 24.337 1.00 0.00 C ATOM 1219 C GLY A 75 47.228 29.098 23.120 1.00 0.00 C ATOM 1220 O GLY A 75 47.214 28.007 22.569 1.00 0.00 O ATOM 0 H GLY A 75 44.527 29.488 23.261 1.00 0.00 H new ATOM 0 HA2 GLY A 75 46.441 30.386 24.649 1.00 0.00 H new ATOM 0 HA3 GLY A 75 46.679 28.727 25.164 1.00 0.00 H new ATOM 1224 N GLY A 76 47.937 30.133 22.684 1.00 0.00 N ATOM 1225 CA GLY A 76 48.989 30.269 21.697 1.00 0.00 C ATOM 1226 C GLY A 76 50.080 31.210 22.199 1.00 0.00 C ATOM 1227 O GLY A 76 50.791 30.825 23.145 1.00 0.00 O ATOM 1228 OXT GLY A 76 50.288 32.312 21.662 1.00 0.00 O ATOM 0 H GLY A 76 47.746 31.049 23.091 1.00 0.00 H new ATOM 0 HA2 GLY A 76 49.418 29.291 21.478 1.00 0.00 H new ATOM 0 HA3 GLY A 76 48.573 30.651 20.765 1.00 0.00 H new TER 1232 GLY A 76