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 22 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.28 K(o=1.3,f=-0.4) USER MOD Set 2.1: A 7 THR OG1 : rot 179:sc= 0.284 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0285 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 166:sc= 0.164 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 152:sc= 0.158 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0.595 (180deg=0.581) USER MOD Single : A 2 GLN : amide:sc= 0.84 K(o=0.84,f=-0.7) USER MOD Single : A 11 LYS NZ :NH3+ 121:sc= 1.16 (180deg=-0.418) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0027 USER MOD Single : A 27 LYS NZ :NH3+ 174:sc= 2.29 (180deg=2.15) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= 0.969 (180deg=0.932) USER MOD Single : A 31 GLN : amide:sc= 1.19 K(o=1.2,f=-0.074) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.05) USER MOD Single : A 40 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.024) USER MOD Single : A 41 GLN : amide:sc= 0.533 K(o=0.53,f=-9.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.638 K(o=0.64,f=-7.6!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0594 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00326 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.827 USER MOD Single : A 60 ASN : amide:sc= -0.197 X(o=-0.2,f=-0.46) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 85:sc= 1.28 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc=0.000505 X(o=0.00051,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.667 31.228 16.069 1.00 0.00 N ATOM 2 CA MET A 1 13.459 31.015 17.508 1.00 0.00 C ATOM 3 C MET A 1 14.773 31.419 18.194 1.00 0.00 C ATOM 4 O MET A 1 15.852 31.078 17.723 1.00 0.00 O ATOM 5 CB MET A 1 13.127 29.560 17.837 1.00 0.00 C ATOM 6 CG MET A 1 12.531 29.237 19.214 1.00 0.00 C ATOM 7 SD MET A 1 12.058 27.526 19.535 1.00 0.00 S ATOM 8 CE MET A 1 13.642 26.656 19.642 1.00 0.00 C ATOM 0 H1 MET A 1 12.782 31.034 15.558 1.00 0.00 H new ATOM 0 H2 MET A 1 13.954 32.213 15.902 1.00 0.00 H new ATOM 0 H3 MET A 1 14.412 30.588 15.727 1.00 0.00 H new ATOM 0 HA MET A 1 12.611 31.607 17.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.429 29.201 17.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.042 28.978 17.728 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.256 29.534 19.972 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.649 29.862 19.354 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.464 25.598 19.837 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.182 26.766 18.701 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.236 27.079 20.452 1.00 0.00 H new ATOM 20 N GLN A 2 14.700 32.141 19.308 1.00 0.00 N ATOM 21 CA GLN A 2 15.795 32.724 20.067 1.00 0.00 C ATOM 22 C GLN A 2 16.156 31.774 21.211 1.00 0.00 C ATOM 23 O GLN A 2 15.285 31.270 21.909 1.00 0.00 O ATOM 24 CB GLN A 2 15.447 34.148 20.488 1.00 0.00 C ATOM 25 CG GLN A 2 15.566 35.256 19.439 1.00 0.00 C ATOM 26 CD GLN A 2 15.225 36.633 19.986 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.878 36.789 21.152 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.441 37.645 19.148 1.00 0.00 N ATOM 0 H GLN A 2 13.798 32.349 19.736 1.00 0.00 H new ATOM 0 HA GLN A 2 16.695 32.830 19.461 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.421 34.146 20.857 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.088 34.414 21.329 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.583 35.269 19.046 1.00 0.00 H new ATOM 0 HG3 GLN A 2 14.904 35.029 18.603 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.729 37.459 18.187 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.319 38.606 19.467 1.00 0.00 H new ATOM 37 N ILE A 3 17.459 31.699 21.460 1.00 0.00 N ATOM 38 CA ILE A 3 18.127 31.210 22.645 1.00 0.00 C ATOM 39 C ILE A 3 19.187 32.200 23.135 1.00 0.00 C ATOM 40 O ILE A 3 19.491 33.183 22.470 1.00 0.00 O ATOM 41 CB ILE A 3 18.603 29.772 22.445 1.00 0.00 C ATOM 42 CG1 ILE A 3 19.845 29.535 21.597 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.476 28.770 22.199 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.321 28.081 21.519 1.00 0.00 C ATOM 0 H ILE A 3 18.134 32.012 20.763 1.00 0.00 H new ATOM 0 HA ILE A 3 17.418 31.153 23.471 1.00 0.00 H new ATOM 0 HB ILE A 3 18.997 29.553 23.437 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.646 29.889 20.585 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.657 30.144 21.994 1.00 0.00 H new ATOM 0 HG21 ILE A 3 17.897 27.773 22.067 1.00 0.00 H new ATOM 0 HG22 ILE A 3 16.799 28.767 23.053 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.927 29.053 21.301 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.210 28.022 20.892 1.00 0.00 H new ATOM 0 HD12 ILE A 3 20.559 27.722 22.520 1.00 0.00 H new ATOM 0 HD13 ILE A 3 19.533 27.463 21.090 1.00 0.00 H new ATOM 56 N PHE A 4 19.830 31.873 24.251 1.00 0.00 N ATOM 57 CA PHE A 4 21.084 32.464 24.704 1.00 0.00 C ATOM 58 C PHE A 4 22.242 31.525 24.374 1.00 0.00 C ATOM 59 O PHE A 4 22.028 30.314 24.379 1.00 0.00 O ATOM 60 CB PHE A 4 21.148 32.654 26.222 1.00 0.00 C ATOM 61 CG PHE A 4 20.255 33.731 26.784 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.449 35.097 26.548 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.139 33.300 27.508 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.715 35.964 27.364 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.235 34.217 28.058 1.00 0.00 C ATOM 66 CZ PHE A 4 18.496 35.583 27.933 1.00 0.00 C ATOM 0 H PHE A 4 19.478 31.160 24.890 1.00 0.00 H new ATOM 0 HA PHE A 4 21.148 33.430 24.203 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.891 31.708 26.699 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.178 32.881 26.498 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.122 35.458 25.785 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.972 32.242 27.645 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.100 36.954 27.560 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.349 33.873 28.571 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.780 36.321 28.265 1.00 0.00 H new ATOM 76 N VAL A 5 23.440 31.987 24.017 1.00 0.00 N ATOM 77 CA VAL A 5 24.631 31.162 24.146 1.00 0.00 C ATOM 78 C VAL A 5 25.525 31.888 25.163 1.00 0.00 C ATOM 79 O VAL A 5 25.363 33.097 25.285 1.00 0.00 O ATOM 80 CB VAL A 5 25.327 30.983 22.796 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.601 30.156 22.903 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.354 30.189 21.919 1.00 0.00 C ATOM 0 H VAL A 5 23.607 32.920 23.640 1.00 0.00 H new ATOM 0 HA VAL A 5 24.393 30.154 24.484 1.00 0.00 H new ATOM 0 HB VAL A 5 25.590 31.964 22.401 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.056 30.059 21.917 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.300 30.650 23.578 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.361 29.166 23.291 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.798 30.029 20.936 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.147 29.226 22.385 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.424 30.747 21.811 1.00 0.00 H new ATOM 92 N LYS A 6 26.338 31.158 25.911 1.00 0.00 N ATOM 93 CA LYS A 6 27.245 31.599 26.952 1.00 0.00 C ATOM 94 C LYS A 6 28.584 30.881 26.864 1.00 0.00 C ATOM 95 O LYS A 6 28.621 29.737 26.414 1.00 0.00 O ATOM 96 CB LYS A 6 26.577 31.433 28.322 1.00 0.00 C ATOM 97 CG LYS A 6 27.259 32.200 29.449 1.00 0.00 C ATOM 98 CD LYS A 6 26.183 33.045 30.132 1.00 0.00 C ATOM 99 CE LYS A 6 26.736 33.980 31.210 1.00 0.00 C ATOM 100 NZ LYS A 6 25.711 34.886 31.765 1.00 0.00 N ATOM 0 H LYS A 6 26.381 30.146 25.790 1.00 0.00 H new ATOM 0 HA LYS A 6 27.462 32.658 26.811 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.540 31.762 28.250 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.559 30.374 28.578 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.718 31.513 30.160 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.055 32.833 29.058 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.665 33.638 29.378 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.443 32.383 30.581 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.162 33.384 32.017 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.548 34.573 30.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 26.070 35.323 32.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 25.492 35.629 31.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 24.848 34.346 31.977 1.00 0.00 H new ATOM 114 N THR A 7 29.627 31.634 27.221 1.00 0.00 N ATOM 115 CA THR A 7 30.922 30.998 27.315 1.00 0.00 C ATOM 116 C THR A 7 31.369 30.813 28.760 1.00 0.00 C ATOM 117 O THR A 7 30.729 31.408 29.626 1.00 0.00 O ATOM 118 CB THR A 7 31.892 31.811 26.448 1.00 0.00 C ATOM 119 OG1 THR A 7 31.710 33.174 26.783 1.00 0.00 O ATOM 120 CG2 THR A 7 31.663 31.704 24.944 1.00 0.00 C ATOM 0 H THR A 7 29.598 32.630 27.437 1.00 0.00 H new ATOM 0 HA THR A 7 30.886 29.978 26.933 1.00 0.00 H new ATOM 0 HB THR A 7 32.887 31.415 26.649 1.00 0.00 H new ATOM 0 HG1 THR A 7 32.328 33.725 26.259 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.399 32.314 24.420 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.766 30.664 24.633 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.660 32.057 24.703 1.00 0.00 H new ATOM 128 N LEU A 8 32.353 29.987 29.093 1.00 0.00 N ATOM 129 CA LEU A 8 32.974 29.862 30.397 1.00 0.00 C ATOM 130 C LEU A 8 33.761 31.119 30.749 1.00 0.00 C ATOM 131 O LEU A 8 33.765 31.443 31.939 1.00 0.00 O ATOM 132 CB LEU A 8 34.002 28.732 30.423 1.00 0.00 C ATOM 133 CG LEU A 8 33.482 27.300 30.199 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.607 26.258 30.142 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.420 26.917 31.218 1.00 0.00 C ATOM 0 H LEU A 8 32.762 29.347 28.412 1.00 0.00 H new ATOM 0 HA LEU A 8 32.158 29.678 31.096 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.753 28.941 29.661 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.510 28.760 31.387 1.00 0.00 H new ATOM 0 HG LEU A 8 33.011 27.301 29.216 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.179 25.268 29.982 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.283 26.497 29.321 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.159 26.267 31.082 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.080 25.900 31.024 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.841 26.974 32.222 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.576 27.603 31.139 1.00 0.00 H new ATOM 147 N THR A 9 34.391 31.835 29.818 1.00 0.00 N ATOM 148 CA THR A 9 34.916 33.167 30.065 1.00 0.00 C ATOM 149 C THR A 9 33.801 34.210 30.111 1.00 0.00 C ATOM 150 O THR A 9 34.006 35.250 30.730 1.00 0.00 O ATOM 151 CB THR A 9 35.911 33.394 28.934 1.00 0.00 C ATOM 152 OG1 THR A 9 35.388 33.181 27.638 1.00 0.00 O ATOM 153 CG2 THR A 9 37.239 32.633 29.043 1.00 0.00 C ATOM 0 H THR A 9 34.550 31.500 28.868 1.00 0.00 H new ATOM 0 HA THR A 9 35.399 33.261 31.038 1.00 0.00 H new ATOM 0 HB THR A 9 36.121 34.455 29.072 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.087 33.349 26.972 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.867 32.872 28.184 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.752 32.925 29.960 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.043 31.561 29.063 1.00 0.00 H new ATOM 161 N GLY A 10 32.599 33.929 29.610 1.00 0.00 N ATOM 162 CA GLY A 10 31.389 34.605 30.033 1.00 0.00 C ATOM 163 C GLY A 10 30.949 35.847 29.259 1.00 0.00 C ATOM 164 O GLY A 10 30.182 36.693 29.695 1.00 0.00 O ATOM 0 H GLY A 10 32.444 33.219 28.894 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.573 33.883 29.996 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.514 34.890 31.077 1.00 0.00 H new ATOM 168 N LYS A 11 31.162 35.825 27.938 1.00 0.00 N ATOM 169 CA LYS A 11 30.470 36.646 26.976 1.00 0.00 C ATOM 170 C LYS A 11 29.108 35.967 26.817 1.00 0.00 C ATOM 171 O LYS A 11 29.094 34.820 26.369 1.00 0.00 O ATOM 172 CB LYS A 11 31.230 36.623 25.647 1.00 0.00 C ATOM 173 CG LYS A 11 30.554 37.002 24.335 1.00 0.00 C ATOM 174 CD LYS A 11 31.575 36.966 23.204 1.00 0.00 C ATOM 175 CE LYS A 11 30.946 36.788 21.826 1.00 0.00 C ATOM 176 NZ LYS A 11 31.816 36.531 20.663 1.00 0.00 N ATOM 0 H LYS A 11 31.850 35.207 27.508 1.00 0.00 H new ATOM 0 HA LYS A 11 30.383 37.688 27.285 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.089 37.283 25.762 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.619 35.612 25.522 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.737 36.312 24.123 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.118 37.998 24.413 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.152 37.891 23.215 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.276 36.151 23.383 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.237 35.963 21.894 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.369 37.687 21.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.552 35.625 20.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.703 37.297 19.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.808 36.489 20.974 1.00 0.00 H new ATOM 190 N THR A 12 28.021 36.637 27.179 1.00 0.00 N ATOM 191 CA THR A 12 26.704 36.143 26.806 1.00 0.00 C ATOM 192 C THR A 12 26.219 36.782 25.499 1.00 0.00 C ATOM 193 O THR A 12 26.770 37.841 25.214 1.00 0.00 O ATOM 194 CB THR A 12 25.755 36.650 27.879 1.00 0.00 C ATOM 195 OG1 THR A 12 26.236 36.426 29.187 1.00 0.00 O ATOM 196 CG2 THR A 12 24.337 36.074 27.759 1.00 0.00 C ATOM 0 H THR A 12 28.023 37.503 27.718 1.00 0.00 H new ATOM 0 HA THR A 12 26.740 35.059 26.696 1.00 0.00 H new ATOM 0 HB THR A 12 25.703 37.724 27.703 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.877 37.111 29.789 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.712 36.477 28.556 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.914 36.347 26.792 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.377 34.988 27.844 1.00 0.00 H new ATOM 204 N ILE A 13 25.281 36.160 24.772 1.00 0.00 N ATOM 205 CA ILE A 13 24.675 36.641 23.547 1.00 0.00 C ATOM 206 C ILE A 13 23.281 36.067 23.295 1.00 0.00 C ATOM 207 O ILE A 13 23.045 34.941 23.735 1.00 0.00 O ATOM 208 CB ILE A 13 25.555 36.297 22.335 1.00 0.00 C ATOM 209 CG1 ILE A 13 26.414 35.049 22.539 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.270 37.571 21.900 1.00 0.00 C ATOM 211 CD1 ILE A 13 27.093 34.553 21.267 1.00 0.00 C ATOM 0 H ILE A 13 24.910 35.252 25.051 1.00 0.00 H new ATOM 0 HA ILE A 13 24.584 37.720 23.672 1.00 0.00 H new ATOM 0 HB ILE A 13 24.947 35.974 21.490 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.177 35.263 23.287 1.00 0.00 H new ATOM 0 HG13 ILE A 13 25.789 34.251 22.941 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.904 37.357 21.039 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.533 38.327 21.629 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.885 37.941 22.720 1.00 0.00 H new ATOM 0 HD11 ILE A 13 27.684 33.665 21.492 1.00 0.00 H new ATOM 0 HD12 ILE A 13 26.336 34.305 20.523 1.00 0.00 H new ATOM 0 HD13 ILE A 13 27.745 35.333 20.875 1.00 0.00 H new ATOM 223 N THR A 14 22.358 36.711 22.590 1.00 0.00 N ATOM 224 CA THR A 14 21.108 36.243 22.021 1.00 0.00 C ATOM 225 C THR A 14 21.443 35.585 20.673 1.00 0.00 C ATOM 226 O THR A 14 22.136 36.151 19.840 1.00 0.00 O ATOM 227 CB THR A 14 20.206 37.437 21.713 1.00 0.00 C ATOM 228 OG1 THR A 14 19.866 38.127 22.896 1.00 0.00 O ATOM 229 CG2 THR A 14 18.832 37.054 21.167 1.00 0.00 C ATOM 0 H THR A 14 22.491 37.700 22.380 1.00 0.00 H new ATOM 0 HA THR A 14 20.615 35.561 22.714 1.00 0.00 H new ATOM 0 HB THR A 14 20.787 38.011 20.992 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.290 38.889 22.676 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.253 37.957 20.974 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.952 36.495 20.239 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.309 36.437 21.898 1.00 0.00 H new ATOM 237 N LEU A 15 20.945 34.380 20.391 1.00 0.00 N ATOM 238 CA LEU A 15 21.219 33.619 19.188 1.00 0.00 C ATOM 239 C LEU A 15 19.922 33.054 18.611 1.00 0.00 C ATOM 240 O LEU A 15 19.168 32.325 19.253 1.00 0.00 O ATOM 241 CB LEU A 15 22.290 32.577 19.525 1.00 0.00 C ATOM 242 CG LEU A 15 23.219 31.993 18.461 1.00 0.00 C ATOM 243 CD1 LEU A 15 22.495 31.673 17.151 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.535 32.744 18.260 1.00 0.00 C ATOM 0 H LEU A 15 20.313 33.894 21.027 1.00 0.00 H new ATOM 0 HA LEU A 15 21.621 34.243 18.390 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.928 33.019 20.290 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.774 31.735 19.987 1.00 0.00 H new ATOM 0 HG LEU A 15 23.535 31.038 18.880 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.205 31.261 16.434 1.00 0.00 H new ATOM 0 HD12 LEU A 15 21.706 30.945 17.340 1.00 0.00 H new ATOM 0 HD13 LEU A 15 22.057 32.585 16.745 1.00 0.00 H new ATOM 0 HD21 LEU A 15 25.121 32.250 17.485 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.326 33.770 17.958 1.00 0.00 H new ATOM 0 HD23 LEU A 15 25.098 32.748 19.193 1.00 0.00 H new ATOM 256 N GLU A 16 19.634 33.419 17.364 1.00 0.00 N ATOM 257 CA GLU A 16 18.383 33.136 16.683 1.00 0.00 C ATOM 258 C GLU A 16 18.690 31.910 15.806 1.00 0.00 C ATOM 259 O GLU A 16 19.719 31.929 15.142 1.00 0.00 O ATOM 260 CB GLU A 16 18.235 34.393 15.821 1.00 0.00 C ATOM 261 CG GLU A 16 16.768 34.598 15.448 1.00 0.00 C ATOM 262 CD GLU A 16 16.405 36.085 15.460 1.00 0.00 C ATOM 263 OE1 GLU A 16 16.119 36.700 16.499 1.00 0.00 O ATOM 264 OE2 GLU A 16 16.670 36.623 14.364 1.00 0.00 O ATOM 0 H GLU A 16 20.292 33.938 16.783 1.00 0.00 H new ATOM 0 HA GLU A 16 17.501 32.936 17.291 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.606 35.262 16.364 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.839 34.299 14.919 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.578 34.181 14.459 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.131 34.058 16.149 1.00 0.00 H new ATOM 271 N VAL A 17 17.879 30.862 15.883 1.00 0.00 N ATOM 272 CA VAL A 17 18.065 29.553 15.289 1.00 0.00 C ATOM 273 C VAL A 17 16.705 29.084 14.783 1.00 0.00 C ATOM 274 O VAL A 17 15.799 29.179 15.612 1.00 0.00 O ATOM 275 CB VAL A 17 18.660 28.555 16.294 1.00 0.00 C ATOM 276 CG1 VAL A 17 18.929 27.200 15.654 1.00 0.00 C ATOM 277 CG2 VAL A 17 20.024 28.976 16.826 1.00 0.00 C ATOM 0 H VAL A 17 17.005 30.915 16.406 1.00 0.00 H new ATOM 0 HA VAL A 17 18.777 29.614 14.466 1.00 0.00 H new ATOM 0 HB VAL A 17 17.912 28.516 17.086 1.00 0.00 H new ATOM 0 HG11 VAL A 17 19.349 26.523 16.398 1.00 0.00 H new ATOM 0 HG12 VAL A 17 17.996 26.786 15.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 19.635 27.319 14.832 1.00 0.00 H new ATOM 0 HG21 VAL A 17 20.387 28.227 17.530 1.00 0.00 H new ATOM 0 HG22 VAL A 17 20.726 29.065 15.997 1.00 0.00 H new ATOM 0 HG23 VAL A 17 19.936 29.938 17.332 1.00 0.00 H new ATOM 287 N GLU A 18 16.634 28.503 13.594 1.00 0.00 N ATOM 288 CA GLU A 18 15.485 27.842 13.006 1.00 0.00 C ATOM 289 C GLU A 18 15.574 26.373 13.420 1.00 0.00 C ATOM 290 O GLU A 18 16.637 25.813 13.167 1.00 0.00 O ATOM 291 CB GLU A 18 15.568 28.087 11.495 1.00 0.00 C ATOM 292 CG GLU A 18 15.283 29.491 10.961 1.00 0.00 C ATOM 293 CD GLU A 18 13.823 29.918 11.065 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.910 29.093 10.866 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.630 31.153 11.114 1.00 0.00 O ATOM 0 H GLU A 18 17.441 28.482 12.971 1.00 0.00 H new ATOM 0 HA GLU A 18 14.515 28.212 13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.570 27.807 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.872 27.402 11.011 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.898 30.206 11.507 1.00 0.00 H new ATOM 0 HG3 GLU A 18 15.590 29.539 9.916 1.00 0.00 H new ATOM 302 N PRO A 19 14.498 25.685 13.801 1.00 0.00 N ATOM 303 CA PRO A 19 14.420 24.257 13.961 1.00 0.00 C ATOM 304 C PRO A 19 15.007 23.313 12.905 1.00 0.00 C ATOM 305 O PRO A 19 15.192 22.120 13.144 1.00 0.00 O ATOM 306 CB PRO A 19 12.959 23.818 14.128 1.00 0.00 C ATOM 307 CG PRO A 19 12.399 25.068 14.805 1.00 0.00 C ATOM 308 CD PRO A 19 13.192 26.201 14.144 1.00 0.00 C ATOM 0 HA PRO A 19 15.068 24.143 14.830 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.474 23.604 13.176 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.857 22.925 14.745 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.327 25.173 14.636 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.551 25.045 15.884 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.676 26.559 13.253 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.283 27.050 14.822 1.00 0.00 H new ATOM 316 N SER A 20 15.138 23.823 11.685 1.00 0.00 N ATOM 317 CA SER A 20 15.734 23.153 10.546 1.00 0.00 C ATOM 318 C SER A 20 17.266 23.161 10.630 1.00 0.00 C ATOM 319 O SER A 20 17.903 22.402 9.894 1.00 0.00 O ATOM 320 CB SER A 20 15.430 24.026 9.329 1.00 0.00 C ATOM 321 OG SER A 20 14.047 24.294 9.310 1.00 0.00 O ATOM 0 H SER A 20 14.813 24.763 11.458 1.00 0.00 H new ATOM 0 HA SER A 20 15.352 22.133 10.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.996 24.956 9.378 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.731 23.518 8.413 1.00 0.00 H new ATOM 0 HG SER A 20 13.833 24.855 8.536 1.00 0.00 H new ATOM 327 N ASP A 21 17.897 23.956 11.493 1.00 0.00 N ATOM 328 CA ASP A 21 19.338 24.011 11.644 1.00 0.00 C ATOM 329 C ASP A 21 19.741 22.954 12.669 1.00 0.00 C ATOM 330 O ASP A 21 19.242 22.930 13.798 1.00 0.00 O ATOM 331 CB ASP A 21 19.848 25.310 12.277 1.00 0.00 C ATOM 332 CG ASP A 21 20.428 26.379 11.366 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.606 26.111 10.156 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.955 27.422 11.808 1.00 0.00 O ATOM 0 H ASP A 21 17.402 24.592 12.118 1.00 0.00 H new ATOM 0 HA ASP A 21 19.745 23.891 10.640 1.00 0.00 H new ATOM 0 HB2 ASP A 21 19.021 25.757 12.829 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.613 25.045 13.007 1.00 0.00 H new ATOM 339 N THR A 22 20.737 22.156 12.304 1.00 0.00 N ATOM 340 CA THR A 22 21.494 21.361 13.252 1.00 0.00 C ATOM 341 C THR A 22 22.392 22.211 14.164 1.00 0.00 C ATOM 342 O THR A 22 22.494 23.425 13.988 1.00 0.00 O ATOM 343 CB THR A 22 22.286 20.315 12.466 1.00 0.00 C ATOM 344 OG1 THR A 22 23.219 20.954 11.630 1.00 0.00 O ATOM 345 CG2 THR A 22 21.415 19.441 11.567 1.00 0.00 C ATOM 0 H THR A 22 21.041 22.044 11.337 1.00 0.00 H new ATOM 0 HA THR A 22 20.804 20.865 13.934 1.00 0.00 H new ATOM 0 HB THR A 22 22.761 19.682 13.215 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.725 20.280 11.130 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.042 18.722 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.685 18.908 12.175 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.895 20.068 10.843 1.00 0.00 H new ATOM 353 N ILE A 23 23.010 21.515 15.112 1.00 0.00 N ATOM 354 CA ILE A 23 24.067 21.947 16.000 1.00 0.00 C ATOM 355 C ILE A 23 25.300 22.345 15.178 1.00 0.00 C ATOM 356 O ILE A 23 25.967 23.310 15.526 1.00 0.00 O ATOM 357 CB ILE A 23 24.256 20.940 17.134 1.00 0.00 C ATOM 358 CG1 ILE A 23 22.990 20.536 17.887 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.490 21.168 18.013 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.249 19.235 18.651 1.00 0.00 C ATOM 0 H ILE A 23 22.754 20.544 15.289 1.00 0.00 H new ATOM 0 HA ILE A 23 23.810 22.862 16.534 1.00 0.00 H new ATOM 0 HB ILE A 23 24.503 20.029 16.589 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.697 21.325 18.579 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.164 20.403 17.188 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.533 20.401 18.786 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.389 21.114 17.399 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.428 22.151 18.480 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.347 18.944 19.190 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.522 18.448 17.948 1.00 0.00 H new ATOM 0 HD13 ILE A 23 24.063 19.385 19.360 1.00 0.00 H new ATOM 372 N GLU A 24 25.652 21.525 14.191 1.00 0.00 N ATOM 373 CA GLU A 24 26.713 21.682 13.209 1.00 0.00 C ATOM 374 C GLU A 24 26.571 23.019 12.489 1.00 0.00 C ATOM 375 O GLU A 24 27.541 23.750 12.276 1.00 0.00 O ATOM 376 CB GLU A 24 26.638 20.483 12.264 1.00 0.00 C ATOM 377 CG GLU A 24 27.956 20.099 11.593 1.00 0.00 C ATOM 378 CD GLU A 24 28.814 19.128 12.409 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.260 19.596 13.474 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.012 17.968 11.999 1.00 0.00 O ATOM 0 H GLU A 24 25.150 20.649 14.048 1.00 0.00 H new ATOM 0 HA GLU A 24 27.697 21.700 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.269 19.623 12.823 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.903 20.698 11.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.740 19.650 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.532 21.005 11.403 1.00 0.00 H new ATOM 387 N ASN A 25 25.345 23.432 12.198 1.00 0.00 N ATOM 388 CA ASN A 25 25.028 24.703 11.570 1.00 0.00 C ATOM 389 C ASN A 25 25.198 25.894 12.503 1.00 0.00 C ATOM 390 O ASN A 25 25.699 26.907 12.013 1.00 0.00 O ATOM 391 CB ASN A 25 23.564 24.724 11.128 1.00 0.00 C ATOM 392 CG ASN A 25 23.150 23.836 9.961 1.00 0.00 C ATOM 393 OD1 ASN A 25 23.792 22.874 9.530 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.124 24.184 9.181 1.00 0.00 N ATOM 0 H ASN A 25 24.517 22.871 12.400 1.00 0.00 H new ATOM 0 HA ASN A 25 25.722 24.790 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.953 24.450 11.988 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.309 25.752 10.871 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.938 23.666 8.322 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.526 24.968 9.444 1.00 0.00 H new ATOM 401 N VAL A 26 24.952 25.885 13.808 1.00 0.00 N ATOM 402 CA VAL A 26 25.310 26.911 14.768 1.00 0.00 C ATOM 403 C VAL A 26 26.841 27.038 14.809 1.00 0.00 C ATOM 404 O VAL A 26 27.300 28.178 14.797 1.00 0.00 O ATOM 405 CB VAL A 26 24.559 26.696 16.085 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.900 27.769 17.131 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.059 26.854 15.829 1.00 0.00 C ATOM 0 H VAL A 26 24.464 25.105 14.249 1.00 0.00 H new ATOM 0 HA VAL A 26 24.974 27.906 14.476 1.00 0.00 H new ATOM 0 HB VAL A 26 24.840 25.708 16.449 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.343 27.574 18.047 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.969 27.743 17.343 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.630 28.752 16.745 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.513 26.703 16.760 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.858 27.856 15.449 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.735 26.116 15.095 1.00 0.00 H new ATOM 417 N LYS A 27 27.548 25.922 14.697 1.00 0.00 N ATOM 418 CA LYS A 27 28.985 26.013 14.542 1.00 0.00 C ATOM 419 C LYS A 27 29.461 26.655 13.230 1.00 0.00 C ATOM 420 O LYS A 27 30.452 27.366 13.160 1.00 0.00 O ATOM 421 CB LYS A 27 29.652 24.647 14.613 1.00 0.00 C ATOM 422 CG LYS A 27 29.426 23.599 15.707 1.00 0.00 C ATOM 423 CD LYS A 27 30.336 22.395 15.452 1.00 0.00 C ATOM 424 CE LYS A 27 30.016 21.194 16.345 1.00 0.00 C ATOM 425 NZ LYS A 27 30.688 20.042 15.725 1.00 0.00 N ATOM 0 H LYS A 27 27.164 24.977 14.710 1.00 0.00 H new ATOM 0 HA LYS A 27 29.275 26.657 15.373 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.411 24.151 13.673 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.725 24.840 14.605 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.638 24.028 16.686 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.382 23.285 15.715 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.247 22.096 14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.373 22.692 15.612 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.376 21.356 17.361 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.940 21.031 16.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.592 19.211 16.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.252 19.841 14.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.696 20.259 15.591 1.00 0.00 H new ATOM 439 N ALA A 28 28.785 26.311 12.144 1.00 0.00 N ATOM 440 CA ALA A 28 28.912 26.901 10.823 1.00 0.00 C ATOM 441 C ALA A 28 28.616 28.404 10.811 1.00 0.00 C ATOM 442 O ALA A 28 29.298 29.210 10.191 1.00 0.00 O ATOM 443 CB ALA A 28 27.973 26.160 9.869 1.00 0.00 C ATOM 0 H ALA A 28 28.090 25.565 12.165 1.00 0.00 H new ATOM 0 HA ALA A 28 29.948 26.796 10.501 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.055 26.590 8.871 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.248 25.106 9.834 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.946 26.256 10.222 1.00 0.00 H new ATOM 449 N LYS A 29 27.584 28.808 11.545 1.00 0.00 N ATOM 450 CA LYS A 29 27.226 30.196 11.770 1.00 0.00 C ATOM 451 C LYS A 29 28.282 30.905 12.625 1.00 0.00 C ATOM 452 O LYS A 29 28.682 32.036 12.404 1.00 0.00 O ATOM 453 CB LYS A 29 25.757 30.314 12.193 1.00 0.00 C ATOM 454 CG LYS A 29 24.727 29.873 11.164 1.00 0.00 C ATOM 455 CD LYS A 29 23.365 30.248 11.766 1.00 0.00 C ATOM 456 CE LYS A 29 22.281 30.329 10.697 1.00 0.00 C ATOM 457 NZ LYS A 29 22.142 29.117 9.876 1.00 0.00 N ATOM 0 H LYS A 29 26.956 28.154 12.013 1.00 0.00 H new ATOM 0 HA LYS A 29 27.257 30.766 10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.612 29.724 13.098 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.558 31.353 12.454 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.886 30.374 10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.792 28.801 10.977 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.082 29.509 12.516 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.445 31.207 12.278 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.326 30.536 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.497 31.173 10.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.484 29.302 9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.071 28.849 9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.773 28.341 10.462 1.00 0.00 H new ATOM 471 N ILE A 30 28.830 30.295 13.675 1.00 0.00 N ATOM 472 CA ILE A 30 29.987 30.719 14.442 1.00 0.00 C ATOM 473 C ILE A 30 31.196 30.912 13.513 1.00 0.00 C ATOM 474 O ILE A 30 31.617 32.061 13.401 1.00 0.00 O ATOM 475 CB ILE A 30 30.201 29.878 15.696 1.00 0.00 C ATOM 476 CG1 ILE A 30 29.079 30.124 16.703 1.00 0.00 C ATOM 477 CG2 ILE A 30 31.603 30.007 16.313 1.00 0.00 C ATOM 478 CD1 ILE A 30 29.031 29.166 17.905 1.00 0.00 C ATOM 0 H ILE A 30 28.441 29.423 14.035 1.00 0.00 H new ATOM 0 HA ILE A 30 29.809 31.706 14.869 1.00 0.00 H new ATOM 0 HB ILE A 30 30.152 28.835 15.384 1.00 0.00 H new ATOM 0 HG12 ILE A 30 29.172 31.143 17.079 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.126 30.064 16.177 1.00 0.00 H new ATOM 0 HG21 ILE A 30 31.670 29.377 17.200 1.00 0.00 H new ATOM 0 HG22 ILE A 30 32.351 29.691 15.586 1.00 0.00 H new ATOM 0 HG23 ILE A 30 31.784 31.045 16.591 1.00 0.00 H new ATOM 0 HD11 ILE A 30 28.196 29.435 18.552 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.901 28.144 17.550 1.00 0.00 H new ATOM 0 HD13 ILE A 30 29.963 29.239 18.466 1.00 0.00 H new ATOM 490 N GLN A 31 31.629 29.901 12.770 1.00 0.00 N ATOM 491 CA GLN A 31 32.538 29.982 11.648 1.00 0.00 C ATOM 492 C GLN A 31 32.298 31.080 10.615 1.00 0.00 C ATOM 493 O GLN A 31 33.260 31.723 10.191 1.00 0.00 O ATOM 494 CB GLN A 31 32.606 28.629 10.941 1.00 0.00 C ATOM 495 CG GLN A 31 33.147 28.556 9.510 1.00 0.00 C ATOM 496 CD GLN A 31 34.623 28.806 9.285 1.00 0.00 C ATOM 497 OE1 GLN A 31 34.994 28.718 8.111 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.544 29.201 10.160 1.00 0.00 N ATOM 0 H GLN A 31 31.331 28.943 12.952 1.00 0.00 H new ATOM 0 HA GLN A 31 33.483 30.265 12.112 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.217 27.969 11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.598 28.214 10.932 1.00 0.00 H new ATOM 0 HG2 GLN A 31 32.914 27.566 9.117 1.00 0.00 H new ATOM 0 HG3 GLN A 31 32.593 29.276 8.908 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.303 29.295 11.147 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.491 29.410 9.844 1.00 0.00 H new ATOM 507 N ASP A 32 31.066 31.423 10.263 1.00 0.00 N ATOM 508 CA ASP A 32 30.689 32.476 9.338 1.00 0.00 C ATOM 509 C ASP A 32 30.828 33.880 9.915 1.00 0.00 C ATOM 510 O ASP A 32 31.373 34.725 9.222 1.00 0.00 O ATOM 511 CB ASP A 32 29.268 32.092 8.893 1.00 0.00 C ATOM 512 CG ASP A 32 28.725 32.943 7.754 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.273 32.784 6.646 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.901 33.853 7.972 1.00 0.00 O ATOM 0 H ASP A 32 30.252 30.939 10.643 1.00 0.00 H new ATOM 0 HA ASP A 32 31.363 32.540 8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.265 31.046 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.596 32.175 9.747 1.00 0.00 H new ATOM 519 N LYS A 33 30.372 34.108 11.145 1.00 0.00 N ATOM 520 CA LYS A 33 30.187 35.441 11.675 1.00 0.00 C ATOM 521 C LYS A 33 31.221 35.834 12.729 1.00 0.00 C ATOM 522 O LYS A 33 31.646 36.987 12.737 1.00 0.00 O ATOM 523 CB LYS A 33 28.830 35.577 12.366 1.00 0.00 C ATOM 524 CG LYS A 33 27.685 35.503 11.356 1.00 0.00 C ATOM 525 CD LYS A 33 27.673 36.691 10.390 1.00 0.00 C ATOM 526 CE LYS A 33 26.605 36.545 9.296 1.00 0.00 C ATOM 527 NZ LYS A 33 27.071 36.293 7.929 1.00 0.00 N ATOM 0 H LYS A 33 30.122 33.365 11.798 1.00 0.00 H new ATOM 0 HA LYS A 33 30.280 36.088 10.803 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.716 34.786 13.108 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.785 36.525 12.902 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.767 34.577 10.786 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.736 35.465 11.891 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.493 37.609 10.949 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.654 36.788 9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.940 35.730 9.581 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.007 37.456 9.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.252 36.148 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.622 37.109 7.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.670 35.443 7.918 1.00 0.00 H new ATOM 541 N GLU A 34 31.685 34.907 13.566 1.00 0.00 N ATOM 542 CA GLU A 34 32.661 35.046 14.622 1.00 0.00 C ATOM 543 C GLU A 34 34.063 34.803 14.084 1.00 0.00 C ATOM 544 O GLU A 34 35.063 35.341 14.568 1.00 0.00 O ATOM 545 CB GLU A 34 32.368 34.115 15.804 1.00 0.00 C ATOM 546 CG GLU A 34 30.981 34.348 16.404 1.00 0.00 C ATOM 547 CD GLU A 34 31.088 35.272 17.602 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.509 34.843 18.703 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.870 36.485 17.431 1.00 0.00 O ATOM 0 H GLU A 34 31.346 33.947 13.507 1.00 0.00 H new ATOM 0 HA GLU A 34 32.596 36.069 14.993 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.448 33.079 15.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.124 34.264 16.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.319 34.784 15.655 1.00 0.00 H new ATOM 0 HG3 GLU A 34 30.540 33.397 16.705 1.00 0.00 H new ATOM 556 N GLY A 35 34.143 33.948 13.066 1.00 0.00 N ATOM 557 CA GLY A 35 35.334 33.645 12.306 1.00 0.00 C ATOM 558 C GLY A 35 36.285 32.748 13.092 1.00 0.00 C ATOM 559 O GLY A 35 37.489 33.017 13.121 1.00 0.00 O ATOM 0 H GLY A 35 33.330 33.425 12.739 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.057 33.154 11.373 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.843 34.572 12.040 1.00 0.00 H new ATOM 563 N ILE A 36 35.727 31.636 13.575 1.00 0.00 N ATOM 564 CA ILE A 36 36.306 30.579 14.376 1.00 0.00 C ATOM 565 C ILE A 36 36.350 29.236 13.627 1.00 0.00 C ATOM 566 O ILE A 36 35.395 29.033 12.871 1.00 0.00 O ATOM 567 CB ILE A 36 35.485 30.550 15.651 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.763 31.819 16.463 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.630 29.253 16.447 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.297 31.965 17.914 1.00 0.00 C ATOM 0 H ILE A 36 34.744 31.442 13.386 1.00 0.00 H new ATOM 0 HA ILE A 36 37.355 30.765 14.606 1.00 0.00 H new ATOM 0 HB ILE A 36 34.429 30.551 15.380 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.843 31.964 16.462 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.330 32.651 15.907 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.014 29.306 17.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.306 28.412 15.834 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.673 29.115 16.731 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.599 32.940 18.297 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.211 31.878 17.958 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.748 31.181 18.522 1.00 0.00 H new ATOM 582 N PRO A 37 37.319 28.354 13.776 1.00 0.00 N ATOM 583 CA PRO A 37 37.238 26.957 13.389 1.00 0.00 C ATOM 584 C PRO A 37 36.389 26.043 14.277 1.00 0.00 C ATOM 585 O PRO A 37 36.623 26.034 15.482 1.00 0.00 O ATOM 586 CB PRO A 37 38.730 26.601 13.477 1.00 0.00 C ATOM 587 CG PRO A 37 39.291 27.403 14.652 1.00 0.00 C ATOM 588 CD PRO A 37 38.557 28.725 14.437 1.00 0.00 C ATOM 0 HA PRO A 37 36.737 26.815 12.431 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.866 25.531 13.635 1.00 0.00 H new ATOM 0 HB3 PRO A 37 39.246 26.854 12.551 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.060 26.949 15.616 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.374 27.514 14.603 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.365 29.230 15.384 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.144 29.409 13.824 1.00 0.00 H new ATOM 596 N PRO A 38 35.428 25.239 13.834 1.00 0.00 N ATOM 597 CA PRO A 38 34.432 24.604 14.670 1.00 0.00 C ATOM 598 C PRO A 38 35.090 23.438 15.422 1.00 0.00 C ATOM 599 O PRO A 38 34.777 23.217 16.581 1.00 0.00 O ATOM 600 CB PRO A 38 33.355 24.008 13.761 1.00 0.00 C ATOM 601 CG PRO A 38 33.886 24.172 12.333 1.00 0.00 C ATOM 602 CD PRO A 38 35.195 24.966 12.430 1.00 0.00 C ATOM 0 HA PRO A 38 34.010 25.329 15.366 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.180 22.958 13.996 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.404 24.526 13.888 1.00 0.00 H new ATOM 0 HG2 PRO A 38 34.058 23.200 11.871 1.00 0.00 H new ATOM 0 HG3 PRO A 38 33.162 24.697 11.710 1.00 0.00 H new ATOM 0 HD2 PRO A 38 36.022 24.397 12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 38 35.124 25.895 11.864 1.00 0.00 H new ATOM 610 N ASP A 39 35.855 22.594 14.744 1.00 0.00 N ATOM 611 CA ASP A 39 36.550 21.375 15.128 1.00 0.00 C ATOM 612 C ASP A 39 37.134 21.253 16.533 1.00 0.00 C ATOM 613 O ASP A 39 37.110 20.168 17.115 1.00 0.00 O ATOM 614 CB ASP A 39 37.574 20.903 14.090 1.00 0.00 C ATOM 615 CG ASP A 39 38.074 19.483 14.260 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.364 18.451 14.152 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.273 19.465 14.605 1.00 0.00 O ATOM 0 H ASP A 39 36.027 22.782 13.756 1.00 0.00 H new ATOM 0 HA ASP A 39 35.693 20.702 15.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.129 20.996 13.099 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.431 21.576 14.119 1.00 0.00 H new ATOM 622 N GLN A 40 37.617 22.333 17.133 1.00 0.00 N ATOM 623 CA GLN A 40 38.118 22.402 18.496 1.00 0.00 C ATOM 624 C GLN A 40 37.037 22.654 19.552 1.00 0.00 C ATOM 625 O GLN A 40 37.257 22.291 20.699 1.00 0.00 O ATOM 626 CB GLN A 40 39.091 23.575 18.593 1.00 0.00 C ATOM 627 CG GLN A 40 40.170 23.643 17.510 1.00 0.00 C ATOM 628 CD GLN A 40 41.301 24.579 17.904 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.500 25.561 17.201 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.906 24.373 19.077 1.00 0.00 N ATOM 0 H GLN A 40 37.672 23.232 16.654 1.00 0.00 H new ATOM 0 HA GLN A 40 38.571 21.431 18.699 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.517 24.501 18.564 1.00 0.00 H new ATOM 0 HB3 GLN A 40 39.582 23.534 19.565 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.569 22.645 17.330 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.726 23.982 16.574 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.698 23.534 19.618 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.576 25.055 19.432 1.00 0.00 H new ATOM 639 N GLN A 41 35.902 23.216 19.171 1.00 0.00 N ATOM 640 CA GLN A 41 35.027 23.855 20.137 1.00 0.00 C ATOM 641 C GLN A 41 33.927 22.854 20.475 1.00 0.00 C ATOM 642 O GLN A 41 33.510 22.036 19.652 1.00 0.00 O ATOM 643 CB GLN A 41 34.321 25.028 19.466 1.00 0.00 C ATOM 644 CG GLN A 41 35.077 26.020 18.571 1.00 0.00 C ATOM 645 CD GLN A 41 36.373 26.517 19.196 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.588 26.740 20.385 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.331 26.729 18.299 1.00 0.00 N ATOM 0 H GLN A 41 35.568 23.243 18.208 1.00 0.00 H new ATOM 0 HA GLN A 41 35.599 24.177 21.007 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.516 24.609 18.863 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.854 25.611 20.260 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.300 25.543 17.617 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.432 26.873 18.358 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.155 26.545 17.311 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.242 27.076 18.598 1.00 0.00 H new ATOM 656 N ARG A 42 33.425 22.820 21.706 1.00 0.00 N ATOM 657 CA ARG A 42 32.277 22.004 22.043 1.00 0.00 C ATOM 658 C ARG A 42 31.119 22.887 22.521 1.00 0.00 C ATOM 659 O ARG A 42 31.357 23.889 23.184 1.00 0.00 O ATOM 660 CB ARG A 42 32.779 20.913 22.990 1.00 0.00 C ATOM 661 CG ARG A 42 33.607 19.889 22.221 1.00 0.00 C ATOM 662 CD ARG A 42 33.962 18.677 23.094 1.00 0.00 C ATOM 663 NE ARG A 42 35.152 18.016 22.569 1.00 0.00 N ATOM 664 CZ ARG A 42 35.946 17.143 23.213 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.648 16.760 24.461 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.965 16.597 22.536 1.00 0.00 N ATOM 0 H ARG A 42 33.803 23.355 22.488 1.00 0.00 H new ATOM 0 HA ARG A 42 31.833 21.486 21.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.381 21.358 23.782 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.933 20.421 23.471 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.052 19.556 21.344 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.522 20.358 21.860 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.137 18.997 24.121 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.127 17.977 23.116 1.00 0.00 H new ATOM 0 HE ARG A 42 35.410 18.241 21.608 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.818 17.131 24.924 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.251 16.098 24.949 1.00 0.00 H new ATOM 0 HH21 ARG A 42 37.121 16.847 21.559 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.585 15.931 22.997 1.00 0.00 H new ATOM 680 N LEU A 43 29.916 22.351 22.343 1.00 0.00 N ATOM 681 CA LEU A 43 28.682 22.832 22.930 1.00 0.00 C ATOM 682 C LEU A 43 28.329 21.787 23.986 1.00 0.00 C ATOM 683 O LEU A 43 28.377 20.591 23.694 1.00 0.00 O ATOM 684 CB LEU A 43 27.536 22.841 21.921 1.00 0.00 C ATOM 685 CG LEU A 43 27.975 23.548 20.631 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.342 22.638 19.464 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.883 24.482 20.126 1.00 0.00 C ATOM 0 H LEU A 43 29.774 21.529 21.756 1.00 0.00 H new ATOM 0 HA LEU A 43 28.812 23.847 23.306 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.229 21.819 21.698 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.670 23.348 22.347 1.00 0.00 H new ATOM 0 HG LEU A 43 28.879 24.075 20.935 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.636 23.245 18.608 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.171 21.992 19.753 1.00 0.00 H new ATOM 0 HD13 LEU A 43 27.481 22.025 19.196 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.217 24.971 19.211 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.979 23.908 19.921 1.00 0.00 H new ATOM 0 HD23 LEU A 43 26.670 25.236 20.884 1.00 0.00 H new ATOM 699 N ILE A 44 27.923 22.141 25.200 1.00 0.00 N ATOM 700 CA ILE A 44 27.469 21.291 26.275 1.00 0.00 C ATOM 701 C ILE A 44 26.062 21.761 26.635 1.00 0.00 C ATOM 702 O ILE A 44 25.809 22.954 26.729 1.00 0.00 O ATOM 703 CB ILE A 44 28.559 21.430 27.348 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.919 20.925 26.892 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.166 20.748 28.664 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.038 19.400 26.748 1.00 0.00 C ATOM 0 H ILE A 44 27.905 23.123 25.474 1.00 0.00 H new ATOM 0 HA ILE A 44 27.358 20.226 26.070 1.00 0.00 H new ATOM 0 HB ILE A 44 28.648 22.502 27.521 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.155 21.384 25.932 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.672 21.266 27.602 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.968 20.873 29.392 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.252 21.200 29.049 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.999 19.686 28.487 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.045 19.143 26.419 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.839 18.927 27.710 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.315 19.046 26.013 1.00 0.00 H new ATOM 718 N PHE A 45 25.089 20.857 26.707 1.00 0.00 N ATOM 719 CA PHE A 45 23.704 20.938 27.154 1.00 0.00 C ATOM 720 C PHE A 45 23.395 19.681 27.972 1.00 0.00 C ATOM 721 O PHE A 45 23.846 18.596 27.640 1.00 0.00 O ATOM 722 CB PHE A 45 22.719 21.056 25.998 1.00 0.00 C ATOM 723 CG PHE A 45 21.299 21.423 26.390 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.917 22.763 26.520 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.398 20.414 26.746 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.620 23.129 26.891 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.100 20.780 27.117 1.00 0.00 C ATOM 728 CZ PHE A 45 18.696 22.116 27.177 1.00 0.00 C ATOM 0 H PHE A 45 25.290 19.904 26.405 1.00 0.00 H new ATOM 0 HA PHE A 45 23.589 21.841 27.754 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.091 21.806 25.300 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.697 20.107 25.463 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.646 23.537 26.328 1.00 0.00 H new ATOM 0 HD2 PHE A 45 20.698 19.376 26.735 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.337 24.169 26.956 1.00 0.00 H new ATOM 0 HE2 PHE A 45 18.388 20.006 27.365 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.679 22.366 27.442 1.00 0.00 H new ATOM 738 N ALA A 46 22.807 19.888 29.146 1.00 0.00 N ATOM 739 CA ALA A 46 22.607 18.985 30.263 1.00 0.00 C ATOM 740 C ALA A 46 23.885 18.392 30.866 1.00 0.00 C ATOM 741 O ALA A 46 23.825 17.281 31.391 1.00 0.00 O ATOM 742 CB ALA A 46 21.633 17.878 29.836 1.00 0.00 C ATOM 0 H ALA A 46 22.414 20.805 29.357 1.00 0.00 H new ATOM 0 HA ALA A 46 22.190 19.585 31.072 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.474 17.192 30.668 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.681 18.323 29.546 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.051 17.332 28.990 1.00 0.00 H new ATOM 748 N GLY A 47 24.969 19.152 30.829 1.00 0.00 N ATOM 749 CA GLY A 47 26.300 18.854 31.336 1.00 0.00 C ATOM 750 C GLY A 47 27.031 17.862 30.434 1.00 0.00 C ATOM 751 O GLY A 47 27.896 17.175 30.985 1.00 0.00 O ATOM 0 H GLY A 47 24.936 20.079 30.404 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.878 19.775 31.409 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.224 18.444 32.343 1.00 0.00 H new ATOM 755 N LYS A 48 26.649 17.557 29.197 1.00 0.00 N ATOM 756 CA LYS A 48 27.252 16.484 28.428 1.00 0.00 C ATOM 757 C LYS A 48 27.361 16.790 26.930 1.00 0.00 C ATOM 758 O LYS A 48 26.826 17.765 26.410 1.00 0.00 O ATOM 759 CB LYS A 48 26.540 15.183 28.795 1.00 0.00 C ATOM 760 CG LYS A 48 25.016 15.187 28.709 1.00 0.00 C ATOM 761 CD LYS A 48 24.168 14.048 29.261 1.00 0.00 C ATOM 762 CE LYS A 48 22.660 14.312 29.224 1.00 0.00 C ATOM 763 NZ LYS A 48 21.926 13.098 29.581 1.00 0.00 N ATOM 0 H LYS A 48 25.908 18.053 28.701 1.00 0.00 H new ATOM 0 HA LYS A 48 28.302 16.371 28.697 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.915 14.394 28.143 1.00 0.00 H new ATOM 0 HB3 LYS A 48 26.823 14.916 29.813 1.00 0.00 H new ATOM 0 HG2 LYS A 48 24.677 16.098 29.203 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.762 15.283 27.653 1.00 0.00 H new ATOM 0 HD2 LYS A 48 24.381 13.143 28.692 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.466 13.854 30.291 1.00 0.00 H new ATOM 0 HE2 LYS A 48 22.407 15.115 29.916 1.00 0.00 H new ATOM 0 HE3 LYS A 48 22.366 14.644 28.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.904 13.289 29.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.156 12.342 28.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 22.196 12.799 30.540 1.00 0.00 H new ATOM 777 N GLN A 49 28.316 16.071 26.355 1.00 0.00 N ATOM 778 CA GLN A 49 28.759 16.229 24.980 1.00 0.00 C ATOM 779 C GLN A 49 27.641 15.599 24.146 1.00 0.00 C ATOM 780 O GLN A 49 27.339 14.403 24.121 1.00 0.00 O ATOM 781 CB GLN A 49 30.128 15.603 24.719 1.00 0.00 C ATOM 782 CG GLN A 49 31.395 16.453 24.678 1.00 0.00 C ATOM 783 CD GLN A 49 32.289 16.537 25.902 1.00 0.00 C ATOM 784 OE1 GLN A 49 33.376 17.115 25.806 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.917 15.988 27.061 1.00 0.00 N ATOM 0 H GLN A 49 28.820 15.337 26.852 1.00 0.00 H new ATOM 0 HA GLN A 49 28.916 17.276 24.721 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.281 14.842 25.485 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.063 15.084 23.763 1.00 0.00 H new ATOM 0 HG2 GLN A 49 32.006 16.085 23.854 1.00 0.00 H new ATOM 0 HG3 GLN A 49 31.096 17.470 24.424 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.018 15.512 27.134 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.532 16.045 27.873 1.00 0.00 H new ATOM 794 N LEU A 50 27.104 16.485 23.304 1.00 0.00 N ATOM 795 CA LEU A 50 26.011 16.229 22.396 1.00 0.00 C ATOM 796 C LEU A 50 26.576 15.647 21.096 1.00 0.00 C ATOM 797 O LEU A 50 27.738 15.855 20.780 1.00 0.00 O ATOM 798 CB LEU A 50 25.606 17.630 21.935 1.00 0.00 C ATOM 799 CG LEU A 50 25.145 18.543 23.073 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.622 19.931 22.675 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.986 17.934 23.879 1.00 0.00 C ATOM 0 H LEU A 50 27.445 17.444 23.243 1.00 0.00 H new ATOM 0 HA LEU A 50 25.250 15.599 22.856 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.452 18.095 21.428 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.804 17.544 21.202 1.00 0.00 H new ATOM 0 HG LEU A 50 26.074 18.647 23.634 1.00 0.00 H new ATOM 0 HD11 LEU A 50 24.327 20.479 23.570 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.407 20.480 22.155 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.760 19.820 22.017 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.696 18.620 24.674 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.135 17.762 23.220 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.304 16.987 24.315 1.00 0.00 H new ATOM 813 N GLU A 51 25.786 14.922 20.308 1.00 0.00 N ATOM 814 CA GLU A 51 26.285 14.146 19.194 1.00 0.00 C ATOM 815 C GLU A 51 26.226 15.029 17.952 1.00 0.00 C ATOM 816 O GLU A 51 25.277 15.787 17.757 1.00 0.00 O ATOM 817 CB GLU A 51 25.519 12.827 19.161 1.00 0.00 C ATOM 818 CG GLU A 51 26.165 11.699 18.357 1.00 0.00 C ATOM 819 CD GLU A 51 25.731 10.427 19.069 1.00 0.00 C ATOM 820 OE1 GLU A 51 24.707 10.278 19.768 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.539 9.484 18.966 1.00 0.00 O ATOM 0 H GLU A 51 24.775 14.861 20.432 1.00 0.00 H new ATOM 0 HA GLU A 51 27.331 13.850 19.272 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.381 12.483 20.186 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.526 13.016 18.752 1.00 0.00 H new ATOM 0 HG2 GLU A 51 25.829 11.708 17.320 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.251 11.794 18.341 1.00 0.00 H new ATOM 828 N ASP A 52 27.306 15.069 17.164 1.00 0.00 N ATOM 829 CA ASP A 52 27.511 16.044 16.119 1.00 0.00 C ATOM 830 C ASP A 52 26.644 15.698 14.905 1.00 0.00 C ATOM 831 O ASP A 52 27.032 14.819 14.147 1.00 0.00 O ATOM 832 CB ASP A 52 28.947 16.287 15.654 1.00 0.00 C ATOM 833 CG ASP A 52 29.824 16.892 16.746 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.682 18.097 17.059 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.736 16.164 17.190 1.00 0.00 O ATOM 0 H ASP A 52 28.073 14.402 17.248 1.00 0.00 H new ATOM 0 HA ASP A 52 27.219 16.982 16.591 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.383 15.344 15.325 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.938 16.952 14.791 1.00 0.00 H new ATOM 840 N GLY A 53 25.647 16.480 14.496 1.00 0.00 N ATOM 841 CA GLY A 53 24.769 16.043 13.425 1.00 0.00 C ATOM 842 C GLY A 53 23.327 15.988 13.908 1.00 0.00 C ATOM 843 O GLY A 53 22.476 15.923 13.023 1.00 0.00 O ATOM 0 H GLY A 53 25.433 17.399 14.883 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.850 16.726 12.579 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.078 15.059 13.072 1.00 0.00 H new ATOM 847 N ARG A 54 23.057 16.189 15.198 1.00 0.00 N ATOM 848 CA ARG A 54 21.697 16.261 15.695 1.00 0.00 C ATOM 849 C ARG A 54 21.051 17.632 15.432 1.00 0.00 C ATOM 850 O ARG A 54 21.674 18.674 15.279 1.00 0.00 O ATOM 851 CB ARG A 54 21.772 15.919 17.174 1.00 0.00 C ATOM 852 CG ARG A 54 22.023 14.459 17.565 1.00 0.00 C ATOM 853 CD ARG A 54 20.806 13.545 17.662 1.00 0.00 C ATOM 854 NE ARG A 54 20.295 13.318 16.308 1.00 0.00 N ATOM 855 CZ ARG A 54 20.682 12.449 15.367 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.639 11.561 15.668 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.196 12.502 14.120 1.00 0.00 N ATOM 0 H ARG A 54 23.772 16.305 15.916 1.00 0.00 H new ATOM 0 HA ARG A 54 21.050 15.558 15.171 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.564 16.524 17.616 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.836 16.232 17.637 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.712 14.028 16.839 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.530 14.450 18.530 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.078 12.599 18.129 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.038 14.000 18.287 1.00 0.00 H new ATOM 0 HE ARG A 54 19.517 13.921 16.039 1.00 0.00 H new ATOM 0 HH11 ARG A 54 22.057 11.557 16.599 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.950 10.889 14.967 1.00 0.00 H new ATOM 0 HH21 ARG A 54 19.514 13.217 13.869 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.508 11.827 13.422 1.00 0.00 H new ATOM 871 N THR A 55 19.718 17.642 15.503 1.00 0.00 N ATOM 872 CA THR A 55 19.020 18.909 15.546 1.00 0.00 C ATOM 873 C THR A 55 18.783 19.405 16.972 1.00 0.00 C ATOM 874 O THR A 55 19.232 18.665 17.838 1.00 0.00 O ATOM 875 CB THR A 55 17.653 18.642 14.905 1.00 0.00 C ATOM 876 OG1 THR A 55 16.727 17.925 15.690 1.00 0.00 O ATOM 877 CG2 THR A 55 17.644 18.131 13.455 1.00 0.00 C ATOM 0 H THR A 55 19.125 16.812 15.531 1.00 0.00 H new ATOM 0 HA THR A 55 19.612 19.670 15.037 1.00 0.00 H new ATOM 0 HB THR A 55 17.299 19.672 14.856 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.892 17.812 15.189 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.615 17.984 13.127 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.130 18.862 12.809 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.181 17.184 13.400 1.00 0.00 H new ATOM 885 N LEU A 56 18.208 20.587 17.174 1.00 0.00 N ATOM 886 CA LEU A 56 18.017 21.273 18.435 1.00 0.00 C ATOM 887 C LEU A 56 16.885 20.641 19.254 1.00 0.00 C ATOM 888 O LEU A 56 16.987 20.260 20.415 1.00 0.00 O ATOM 889 CB LEU A 56 17.817 22.740 18.073 1.00 0.00 C ATOM 890 CG LEU A 56 17.972 23.781 19.176 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.362 23.917 19.802 1.00 0.00 C ATOM 892 CD2 LEU A 56 17.235 25.111 18.950 1.00 0.00 C ATOM 0 H LEU A 56 17.836 21.128 16.393 1.00 0.00 H new ATOM 0 HA LEU A 56 18.874 21.184 19.102 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.523 22.987 17.280 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.817 22.846 17.653 1.00 0.00 H new ATOM 0 HG LEU A 56 17.404 23.310 19.978 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.341 24.689 20.572 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.654 22.967 20.249 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.082 24.193 19.032 1.00 0.00 H new ATOM 0 HD21 LEU A 56 17.415 25.775 19.795 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.601 25.579 18.036 1.00 0.00 H new ATOM 0 HD23 LEU A 56 16.165 24.923 18.858 1.00 0.00 H new ATOM 904 N SER A 57 15.927 20.057 18.533 1.00 0.00 N ATOM 905 CA SER A 57 14.795 19.280 18.996 1.00 0.00 C ATOM 906 C SER A 57 15.056 17.820 19.366 1.00 0.00 C ATOM 907 O SER A 57 14.392 17.354 20.288 1.00 0.00 O ATOM 908 CB SER A 57 13.690 19.326 17.941 1.00 0.00 C ATOM 909 OG SER A 57 13.674 20.593 17.318 1.00 0.00 O ATOM 0 H SER A 57 15.932 20.128 17.515 1.00 0.00 H new ATOM 0 HA SER A 57 14.515 19.756 19.936 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.853 18.547 17.196 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.724 19.127 18.405 1.00 0.00 H new ATOM 0 HG SER A 57 12.965 20.616 16.642 1.00 0.00 H new ATOM 915 N ASP A 58 16.103 17.192 18.829 1.00 0.00 N ATOM 916 CA ASP A 58 16.518 15.862 19.251 1.00 0.00 C ATOM 917 C ASP A 58 17.070 15.786 20.681 1.00 0.00 C ATOM 918 O ASP A 58 16.849 14.809 21.385 1.00 0.00 O ATOM 919 CB ASP A 58 17.668 15.338 18.388 1.00 0.00 C ATOM 920 CG ASP A 58 17.318 15.224 16.917 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.172 14.869 16.544 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.258 15.402 16.115 1.00 0.00 O ATOM 0 H ASP A 58 16.683 17.593 18.092 1.00 0.00 H new ATOM 0 HA ASP A 58 15.599 15.282 19.164 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.526 16.001 18.499 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.972 14.359 18.758 1.00 0.00 H new ATOM 927 N TYR A 59 17.617 16.885 21.207 1.00 0.00 N ATOM 928 CA TYR A 59 17.807 17.168 22.610 1.00 0.00 C ATOM 929 C TYR A 59 16.655 17.972 23.209 1.00 0.00 C ATOM 930 O TYR A 59 16.617 18.102 24.433 1.00 0.00 O ATOM 931 CB TYR A 59 19.100 17.975 22.685 1.00 0.00 C ATOM 932 CG TYR A 59 20.273 17.122 22.253 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.616 15.959 22.939 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.899 17.313 21.012 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.602 15.066 22.495 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.994 16.525 20.604 1.00 0.00 C ATOM 937 CZ TYR A 59 22.262 15.331 21.285 1.00 0.00 C ATOM 938 OH TYR A 59 23.323 14.557 20.895 1.00 0.00 O ATOM 0 H TYR A 59 17.957 17.643 20.615 1.00 0.00 H new ATOM 0 HA TYR A 59 17.849 16.241 23.182 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.026 18.855 22.046 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.256 18.332 23.703 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.097 15.734 23.859 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.532 18.085 20.352 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.849 14.189 23.075 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.617 16.837 19.779 1.00 0.00 H new ATOM 0 HH TYR A 59 23.004 13.663 20.652 1.00 0.00 H new ATOM 948 N ASN A 60 15.695 18.509 22.466 1.00 0.00 N ATOM 949 CA ASN A 60 14.549 19.327 22.811 1.00 0.00 C ATOM 950 C ASN A 60 14.941 20.529 23.680 1.00 0.00 C ATOM 951 O ASN A 60 14.288 20.834 24.671 1.00 0.00 O ATOM 952 CB ASN A 60 13.377 18.472 23.314 1.00 0.00 C ATOM 953 CG ASN A 60 13.644 17.531 24.479 1.00 0.00 C ATOM 954 OD1 ASN A 60 14.120 17.884 25.557 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.316 16.251 24.323 1.00 0.00 N ATOM 0 H ASN A 60 15.712 18.353 21.458 1.00 0.00 H new ATOM 0 HA ASN A 60 14.159 19.793 21.906 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.570 19.145 23.603 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.012 17.876 22.477 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.461 15.591 25.087 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.919 15.930 23.440 1.00 0.00 H new ATOM 962 N ILE A 61 15.939 21.255 23.175 1.00 0.00 N ATOM 963 CA ILE A 61 16.318 22.612 23.521 1.00 0.00 C ATOM 964 C ILE A 61 15.275 23.587 22.990 1.00 0.00 C ATOM 965 O ILE A 61 15.080 23.805 21.789 1.00 0.00 O ATOM 966 CB ILE A 61 17.733 22.886 23.013 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.810 22.041 23.699 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.205 24.331 23.186 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.063 21.687 22.895 1.00 0.00 C ATOM 0 H ILE A 61 16.549 20.870 22.454 1.00 0.00 H new ATOM 0 HA ILE A 61 16.342 22.748 24.602 1.00 0.00 H new ATOM 0 HB ILE A 61 17.631 22.634 21.957 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.128 22.570 24.598 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.347 21.109 24.024 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.219 24.432 22.798 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.539 24.999 22.640 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.194 24.593 24.244 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.733 21.087 23.511 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.779 21.119 22.009 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.571 22.602 22.592 1.00 0.00 H new ATOM 981 N GLN A 62 14.564 24.154 23.952 1.00 0.00 N ATOM 982 CA GLN A 62 13.417 24.964 23.582 1.00 0.00 C ATOM 983 C GLN A 62 13.863 26.431 23.553 1.00 0.00 C ATOM 984 O GLN A 62 14.968 26.723 24.014 1.00 0.00 O ATOM 985 CB GLN A 62 12.365 24.833 24.683 1.00 0.00 C ATOM 986 CG GLN A 62 11.966 23.411 25.089 1.00 0.00 C ATOM 987 CD GLN A 62 10.770 23.410 26.025 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.378 24.398 26.650 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.160 22.240 26.204 1.00 0.00 N ATOM 0 H GLN A 62 14.749 24.074 24.952 1.00 0.00 H new ATOM 0 HA GLN A 62 13.021 24.648 22.617 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.734 25.349 25.569 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.467 25.359 24.359 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.731 22.830 24.197 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.809 22.921 25.575 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.476 21.416 25.692 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.377 22.167 26.853 1.00 0.00 H new ATOM 998 N LYS A 63 12.998 27.341 23.127 1.00 0.00 N ATOM 999 CA LYS A 63 13.127 28.765 23.369 1.00 0.00 C ATOM 1000 C LYS A 63 13.670 29.270 24.710 1.00 0.00 C ATOM 1001 O LYS A 63 13.161 28.869 25.753 1.00 0.00 O ATOM 1002 CB LYS A 63 11.837 29.483 22.973 1.00 0.00 C ATOM 1003 CG LYS A 63 11.842 31.008 23.104 1.00 0.00 C ATOM 1004 CD LYS A 63 10.450 31.591 22.867 1.00 0.00 C ATOM 1005 CE LYS A 63 10.204 33.026 23.336 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.819 33.475 23.174 1.00 0.00 N ATOM 0 H LYS A 63 12.166 27.099 22.589 1.00 0.00 H new ATOM 0 HA LYS A 63 13.962 29.029 22.720 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.608 29.229 21.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.025 29.090 23.585 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.192 31.288 24.098 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.544 31.434 22.387 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.242 31.545 21.798 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.725 30.945 23.361 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.481 33.107 24.387 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.860 33.697 22.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.730 34.454 23.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.555 33.431 22.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.188 32.859 23.725 1.00 0.00 H new ATOM 1020 N GLU A 64 14.533 30.284 24.677 1.00 0.00 N ATOM 1021 CA GLU A 64 15.203 30.970 25.763 1.00 0.00 C ATOM 1022 C GLU A 64 16.037 30.065 26.662 1.00 0.00 C ATOM 1023 O GLU A 64 16.141 30.282 27.864 1.00 0.00 O ATOM 1024 CB GLU A 64 14.250 31.943 26.459 1.00 0.00 C ATOM 1025 CG GLU A 64 14.933 33.170 27.068 1.00 0.00 C ATOM 1026 CD GLU A 64 14.043 34.381 27.332 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.214 34.796 26.501 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.199 35.012 28.403 1.00 0.00 O ATOM 0 H GLU A 64 14.806 30.685 23.780 1.00 0.00 H new ATOM 0 HA GLU A 64 15.985 31.596 25.334 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.503 32.278 25.740 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.718 31.410 27.247 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.393 32.872 28.010 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.740 33.477 26.402 1.00 0.00 H new ATOM 1035 N SER A 65 16.643 29.052 26.047 1.00 0.00 N ATOM 1036 CA SER A 65 17.572 28.129 26.665 1.00 0.00 C ATOM 1037 C SER A 65 19.011 28.619 26.533 1.00 0.00 C ATOM 1038 O SER A 65 19.243 29.538 25.756 1.00 0.00 O ATOM 1039 CB SER A 65 17.544 26.814 25.874 1.00 0.00 C ATOM 1040 OG SER A 65 16.411 26.000 26.100 1.00 0.00 O ATOM 0 H SER A 65 16.488 28.849 25.059 1.00 0.00 H new ATOM 0 HA SER A 65 17.284 28.026 27.711 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.598 27.047 24.811 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.438 26.241 26.120 1.00 0.00 H new ATOM 0 HG SER A 65 15.676 26.295 25.523 1.00 0.00 H new ATOM 1046 N THR A 66 19.928 28.146 27.380 1.00 0.00 N ATOM 1047 CA THR A 66 21.347 28.393 27.267 1.00 0.00 C ATOM 1048 C THR A 66 22.081 27.091 26.925 1.00 0.00 C ATOM 1049 O THR A 66 21.925 26.050 27.555 1.00 0.00 O ATOM 1050 CB THR A 66 21.856 28.910 28.617 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.129 30.012 29.103 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.263 29.485 28.486 1.00 0.00 C ATOM 0 H THR A 66 19.686 27.565 28.183 1.00 0.00 H new ATOM 0 HA THR A 66 21.530 29.124 26.479 1.00 0.00 H new ATOM 0 HB THR A 66 21.779 28.042 29.272 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.500 30.294 29.965 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.601 29.845 29.458 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.941 28.709 28.130 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.253 30.312 27.776 1.00 0.00 H new ATOM 1060 N LEU A 67 22.672 27.111 25.735 1.00 0.00 N ATOM 1061 CA LEU A 67 23.710 26.186 25.344 1.00 0.00 C ATOM 1062 C LEU A 67 24.984 26.896 25.793 1.00 0.00 C ATOM 1063 O LEU A 67 25.189 28.107 25.818 1.00 0.00 O ATOM 1064 CB LEU A 67 23.520 25.964 23.843 1.00 0.00 C ATOM 1065 CG LEU A 67 24.335 24.916 23.077 1.00 0.00 C ATOM 1066 CD1 LEU A 67 24.385 23.509 23.666 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.606 24.657 21.760 1.00 0.00 C ATOM 0 H LEU A 67 22.433 27.785 25.008 1.00 0.00 H new ATOM 0 HA LEU A 67 23.718 25.186 25.778 1.00 0.00 H new ATOM 0 HB2 LEU A 67 22.469 25.721 23.690 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.700 26.922 23.356 1.00 0.00 H new ATOM 0 HG LEU A 67 25.341 25.336 23.053 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.993 22.869 23.027 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.823 23.547 24.663 1.00 0.00 H new ATOM 0 HD13 LEU A 67 23.375 23.105 23.729 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.154 23.914 21.181 1.00 0.00 H new ATOM 0 HD22 LEU A 67 22.602 24.287 21.967 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.541 25.585 21.191 1.00 0.00 H new ATOM 1079 N HIS A 68 25.894 26.070 26.299 1.00 0.00 N ATOM 1080 CA HIS A 68 27.155 26.566 26.824 1.00 0.00 C ATOM 1081 C HIS A 68 28.164 26.108 25.764 1.00 0.00 C ATOM 1082 O HIS A 68 28.247 24.928 25.439 1.00 0.00 O ATOM 1083 CB HIS A 68 27.488 25.925 28.183 1.00 0.00 C ATOM 1084 CG HIS A 68 26.458 25.985 29.271 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.372 25.101 29.232 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.389 26.848 30.338 1.00 0.00 C ATOM 1087 CE1 HIS A 68 24.634 25.504 30.274 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.167 26.559 30.906 1.00 0.00 N ATOM 0 H HIS A 68 25.780 25.058 26.355 1.00 0.00 H new ATOM 0 HA HIS A 68 27.148 27.642 26.997 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.724 24.876 28.006 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.396 26.397 28.559 1.00 0.00 H new ATOM 0 HD1 HIS A 68 25.190 24.342 28.576 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.118 27.578 30.656 1.00 0.00 H new ATOM 0 HE1 HIS A 68 23.710 25.031 30.573 1.00 0.00 H new ATOM 1096 N LEU A 69 29.057 27.036 25.448 1.00 0.00 N ATOM 1097 CA LEU A 69 30.029 26.921 24.378 1.00 0.00 C ATOM 1098 C LEU A 69 31.428 26.904 25.002 1.00 0.00 C ATOM 1099 O LEU A 69 31.960 27.949 25.363 1.00 0.00 O ATOM 1100 CB LEU A 69 29.704 27.892 23.241 1.00 0.00 C ATOM 1101 CG LEU A 69 30.743 28.156 22.146 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.882 27.061 21.074 1.00 0.00 C ATOM 1103 CD2 LEU A 69 30.445 29.515 21.526 1.00 0.00 C ATOM 0 H LEU A 69 29.124 27.921 25.951 1.00 0.00 H new ATOM 0 HA LEU A 69 29.988 25.976 23.837 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.800 27.529 22.751 1.00 0.00 H new ATOM 0 HB3 LEU A 69 29.457 28.852 23.694 1.00 0.00 H new ATOM 0 HG LEU A 69 31.719 28.146 22.631 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.644 27.354 20.352 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.172 26.123 21.547 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.929 26.930 20.562 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.173 29.725 20.742 1.00 0.00 H new ATOM 0 HD22 LEU A 69 29.443 29.508 21.098 1.00 0.00 H new ATOM 0 HD23 LEU A 69 30.506 30.286 22.294 1.00 0.00 H new ATOM 1115 N VAL A 70 31.945 25.701 25.216 1.00 0.00 N ATOM 1116 CA VAL A 70 33.304 25.399 25.623 1.00 0.00 C ATOM 1117 C VAL A 70 34.229 25.686 24.445 1.00 0.00 C ATOM 1118 O VAL A 70 34.145 24.920 23.490 1.00 0.00 O ATOM 1119 CB VAL A 70 33.298 23.959 26.146 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.672 23.382 26.483 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.430 23.904 27.405 1.00 0.00 C ATOM 0 H VAL A 70 31.385 24.856 25.101 1.00 0.00 H new ATOM 0 HA VAL A 70 33.685 26.019 26.435 1.00 0.00 H new ATOM 0 HB VAL A 70 32.908 23.348 25.332 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.559 22.360 26.844 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.297 23.384 25.590 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.142 23.990 27.256 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.414 22.885 27.792 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.842 24.573 28.161 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.414 24.215 27.161 1.00 0.00 H new ATOM 1131 N LEU A 71 35.081 26.715 24.471 1.00 0.00 N ATOM 1132 CA LEU A 71 35.993 27.030 23.391 1.00 0.00 C ATOM 1133 C LEU A 71 37.348 26.357 23.660 1.00 0.00 C ATOM 1134 O LEU A 71 37.684 26.108 24.812 1.00 0.00 O ATOM 1135 CB LEU A 71 36.451 28.482 23.293 1.00 0.00 C ATOM 1136 CG LEU A 71 35.441 29.480 22.708 1.00 0.00 C ATOM 1137 CD1 LEU A 71 35.300 29.271 21.194 1.00 0.00 C ATOM 1138 CD2 LEU A 71 34.102 29.553 23.436 1.00 0.00 C ATOM 0 H LEU A 71 35.150 27.357 25.260 1.00 0.00 H new ATOM 0 HA LEU A 71 35.426 26.726 22.511 1.00 0.00 H new ATOM 0 HB2 LEU A 71 36.727 28.821 24.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.355 28.515 22.684 1.00 0.00 H new ATOM 0 HG LEU A 71 35.860 30.472 22.880 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.581 29.985 20.793 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.267 29.422 20.714 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.952 28.257 20.998 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.461 30.285 22.946 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.621 28.575 23.411 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.267 29.850 24.472 1.00 0.00 H new ATOM 1150 N ARG A 72 38.105 26.112 22.589 1.00 0.00 N ATOM 1151 CA ARG A 72 39.505 25.768 22.537 1.00 0.00 C ATOM 1152 C ARG A 72 39.983 26.443 21.240 1.00 0.00 C ATOM 1153 O ARG A 72 39.541 26.190 20.129 1.00 0.00 O ATOM 1154 CB ARG A 72 39.714 24.259 22.420 1.00 0.00 C ATOM 1155 CG ARG A 72 39.540 23.445 23.707 1.00 0.00 C ATOM 1156 CD ARG A 72 39.432 21.964 23.381 1.00 0.00 C ATOM 1157 NE ARG A 72 40.751 21.376 23.117 1.00 0.00 N ATOM 1158 CZ ARG A 72 41.191 20.187 23.532 1.00 0.00 C ATOM 1159 NH1 ARG A 72 40.496 19.234 24.170 1.00 0.00 N ATOM 1160 NH2 ARG A 72 42.452 19.887 23.184 1.00 0.00 N ATOM 0 H ARG A 72 37.703 26.157 21.653 1.00 0.00 H new ATOM 0 HA ARG A 72 40.036 26.083 23.435 1.00 0.00 H new ATOM 0 HB2 ARG A 72 39.017 23.874 21.676 1.00 0.00 H new ATOM 0 HB3 ARG A 72 40.719 24.082 22.037 1.00 0.00 H new ATOM 0 HG2 ARG A 72 40.386 23.618 24.372 1.00 0.00 H new ATOM 0 HG3 ARG A 72 38.646 23.774 24.236 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.958 21.441 24.212 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.790 21.827 22.511 1.00 0.00 H new ATOM 0 HE ARG A 72 41.397 21.934 22.559 1.00 0.00 H new ATOM 0 HH11 ARG A 72 39.511 19.382 24.390 1.00 0.00 H new ATOM 0 HH12 ARG A 72 40.952 18.361 24.436 1.00 0.00 H new ATOM 0 HH21 ARG A 72 43.002 20.551 22.639 1.00 0.00 H new ATOM 0 HH22 ARG A 72 42.860 18.995 23.465 1.00 0.00 H new ATOM 1174 N LEU A 73 40.862 27.433 21.411 1.00 0.00 N ATOM 1175 CA LEU A 73 41.355 28.343 20.399 1.00 0.00 C ATOM 1176 C LEU A 73 42.882 28.258 20.313 1.00 0.00 C ATOM 1177 O LEU A 73 43.540 28.143 21.343 1.00 0.00 O ATOM 1178 CB LEU A 73 40.885 29.770 20.681 1.00 0.00 C ATOM 1179 CG LEU A 73 39.383 29.810 20.398 1.00 0.00 C ATOM 1180 CD1 LEU A 73 38.843 31.149 20.893 1.00 0.00 C ATOM 1181 CD2 LEU A 73 39.015 29.845 18.910 1.00 0.00 C ATOM 0 H LEU A 73 41.270 27.625 22.326 1.00 0.00 H new ATOM 0 HA LEU A 73 40.947 28.051 19.431 1.00 0.00 H new ATOM 0 HB2 LEU A 73 41.090 30.046 21.715 1.00 0.00 H new ATOM 0 HB3 LEU A 73 41.416 30.483 20.050 1.00 0.00 H new ATOM 0 HG LEU A 73 38.984 28.913 20.871 1.00 0.00 H new ATOM 0 HD11 LEU A 73 37.771 31.202 20.702 1.00 0.00 H new ATOM 0 HD12 LEU A 73 39.026 31.242 21.964 1.00 0.00 H new ATOM 0 HD13 LEU A 73 39.346 31.961 20.367 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.931 29.872 18.804 1.00 0.00 H new ATOM 0 HD22 LEU A 73 39.447 30.733 18.449 1.00 0.00 H new ATOM 0 HD23 LEU A 73 39.406 28.954 18.418 1.00 0.00 H new ATOM 1193 N ARG A 74 43.524 28.047 19.170 1.00 0.00 N ATOM 1194 CA ARG A 74 44.956 27.979 18.912 1.00 0.00 C ATOM 1195 C ARG A 74 45.346 29.397 18.487 1.00 0.00 C ATOM 1196 O ARG A 74 46.346 29.829 19.054 1.00 0.00 O ATOM 1197 CB ARG A 74 45.192 27.052 17.719 1.00 0.00 C ATOM 1198 CG ARG A 74 46.663 26.928 17.327 1.00 0.00 C ATOM 1199 CD ARG A 74 47.003 25.830 16.313 1.00 0.00 C ATOM 1200 NE ARG A 74 46.034 25.700 15.227 1.00 0.00 N ATOM 1201 CZ ARG A 74 45.149 24.720 14.975 1.00 0.00 C ATOM 1202 NH1 ARG A 74 45.151 23.610 15.730 1.00 0.00 N ATOM 1203 NH2 ARG A 74 44.317 24.870 13.933 1.00 0.00 N ATOM 0 H ARG A 74 42.996 27.904 18.309 1.00 0.00 H new ATOM 0 HA ARG A 74 45.518 27.620 19.774 1.00 0.00 H new ATOM 0 HB2 ARG A 74 44.802 26.062 17.955 1.00 0.00 H new ATOM 0 HB3 ARG A 74 44.626 27.422 16.864 1.00 0.00 H new ATOM 0 HG2 ARG A 74 46.991 27.884 16.919 1.00 0.00 H new ATOM 0 HG3 ARG A 74 47.245 26.751 18.232 1.00 0.00 H new ATOM 0 HD2 ARG A 74 47.985 26.035 15.887 1.00 0.00 H new ATOM 0 HD3 ARG A 74 47.076 24.877 16.837 1.00 0.00 H new ATOM 0 HE ARG A 74 46.028 26.470 14.558 1.00 0.00 H new ATOM 0 HH11 ARG A 74 45.822 23.512 16.492 1.00 0.00 H new ATOM 0 HH12 ARG A 74 44.481 22.864 15.542 1.00 0.00 H new ATOM 0 HH21 ARG A 74 44.367 25.710 13.357 1.00 0.00 H new ATOM 0 HH22 ARG A 74 43.635 24.144 13.717 1.00 0.00 H new ATOM 1217 N GLY A 75 44.637 30.098 17.610 1.00 0.00 N ATOM 1218 CA GLY A 75 44.840 31.482 17.231 1.00 0.00 C ATOM 1219 C GLY A 75 43.886 32.363 18.039 1.00 0.00 C ATOM 1220 O GLY A 75 43.012 31.869 18.746 1.00 0.00 O ATOM 0 H GLY A 75 43.851 29.680 17.113 1.00 0.00 H new ATOM 0 HA2 GLY A 75 45.873 31.776 17.417 1.00 0.00 H new ATOM 0 HA3 GLY A 75 44.659 31.611 16.164 1.00 0.00 H new ATOM 1224 N GLY A 76 44.133 33.662 17.911 1.00 0.00 N ATOM 1225 CA GLY A 76 43.329 34.748 18.440 1.00 0.00 C ATOM 1226 C GLY A 76 43.079 35.797 17.353 1.00 0.00 C ATOM 1227 O GLY A 76 43.915 36.041 16.465 1.00 0.00 O ATOM 1228 OXT GLY A 76 41.935 36.283 17.244 1.00 0.00 O ATOM 0 H GLY A 76 44.950 34.001 17.404 1.00 0.00 H new ATOM 0 HA2 GLY A 76 42.379 34.361 18.808 1.00 0.00 H new ATOM 0 HA3 GLY A 76 43.837 35.207 19.289 1.00 0.00 H new TER 1232 GLY A 76