USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 2 GLN : amide:sc= -0.0382 K(o=0.19,f=-0.76!) USER MOD Set 1.2: A 14 THR OG1 : rot -140:sc= 0.229 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -160:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0217 (180deg=-0.303) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 10:sc= 0.997 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 27 LYS NZ :NH3+ -127:sc= -4.54! (180deg=-9.83!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -1.11! K(o=-1.1!,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= -0.0386 (180deg=-0.467) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= -0.373 X(o=-0.37,f=-0.68) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0.987 (180deg=0.882) USER MOD Single : A 49 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-1.3!) 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 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.89) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLN A 2 25.322 28.186 3.428 1.00 0.00 N ATOM 21 CA GLN A 2 26.105 29.392 3.838 1.00 0.00 C ATOM 22 C GLN A 2 25.621 29.878 5.207 1.00 0.00 C ATOM 23 O GLN A 2 24.437 29.945 5.470 1.00 0.00 O ATOM 24 CB GLN A 2 25.898 30.499 2.801 1.00 0.00 C ATOM 25 CG GLN A 2 26.789 31.694 3.141 1.00 0.00 C ATOM 26 CD GLN A 2 26.757 32.699 1.987 1.00 0.00 C ATOM 27 OE1 GLN A 2 26.054 32.501 1.015 1.00 0.00 O ATOM 28 NE2 GLN A 2 27.494 33.773 2.050 1.00 0.00 N ATOM 0 HA GLN A 2 27.163 29.138 3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 2 26.136 30.127 1.805 1.00 0.00 H new ATOM 0 HB3 GLN A 2 24.852 30.805 2.785 1.00 0.00 H new ATOM 0 HG2 GLN A 2 26.445 32.168 4.060 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.811 31.360 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 2 28.084 33.940 2.865 1.00 0.00 H new ATOM 0 HE22 GLN A 2 27.480 34.446 1.284 1.00 0.00 H new ATOM 37 N ILE A 3 26.535 30.220 6.080 1.00 0.00 N ATOM 38 CA ILE A 3 26.164 30.709 7.444 1.00 0.00 C ATOM 39 C ILE A 3 26.999 31.968 7.715 1.00 0.00 C ATOM 40 O ILE A 3 28.075 32.115 7.169 1.00 0.00 O ATOM 41 CB ILE A 3 26.495 29.602 8.470 1.00 0.00 C ATOM 42 CG1 ILE A 3 25.715 28.304 8.119 1.00 0.00 C ATOM 43 CG2 ILE A 3 26.114 30.062 9.884 1.00 0.00 C ATOM 44 CD1 ILE A 3 26.587 27.370 7.270 1.00 0.00 C ATOM 0 H ILE A 3 27.539 30.180 5.902 1.00 0.00 H new ATOM 0 HA ILE A 3 25.102 30.944 7.519 1.00 0.00 H new ATOM 0 HB ILE A 3 27.566 29.401 8.435 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.411 27.796 9.034 1.00 0.00 H new ATOM 0 HG13 ILE A 3 24.804 28.555 7.576 1.00 0.00 H new ATOM 0 HG21 ILE A 3 26.351 29.274 10.599 1.00 0.00 H new ATOM 0 HG22 ILE A 3 26.674 30.963 10.137 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.046 30.276 9.922 1.00 0.00 H new ATOM 0 HD11 ILE A 3 26.027 26.466 7.032 1.00 0.00 H new ATOM 0 HD12 ILE A 3 26.869 27.875 6.346 1.00 0.00 H new ATOM 0 HD13 ILE A 3 27.485 27.105 7.827 1.00 0.00 H new ATOM 56 N PHE A 4 26.537 32.877 8.550 1.00 0.00 N ATOM 57 CA PHE A 4 27.329 34.115 8.840 1.00 0.00 C ATOM 58 C PHE A 4 27.639 34.180 10.335 1.00 0.00 C ATOM 59 O PHE A 4 26.786 33.943 11.162 1.00 0.00 O ATOM 60 CB PHE A 4 26.508 35.344 8.444 1.00 0.00 C ATOM 61 CG PHE A 4 26.244 35.317 6.959 1.00 0.00 C ATOM 62 CD1 PHE A 4 25.060 34.753 6.468 1.00 0.00 C ATOM 63 CD2 PHE A 4 27.182 35.859 6.072 1.00 0.00 C ATOM 64 CE1 PHE A 4 24.815 34.729 5.090 1.00 0.00 C ATOM 65 CE2 PHE A 4 26.937 35.836 4.694 1.00 0.00 C ATOM 66 CZ PHE A 4 25.753 35.271 4.203 1.00 0.00 C ATOM 0 H PHE A 4 25.645 32.811 9.041 1.00 0.00 H new ATOM 0 HA PHE A 4 28.259 34.094 8.273 1.00 0.00 H new ATOM 0 HB2 PHE A 4 25.565 35.356 8.991 1.00 0.00 H new ATOM 0 HB3 PHE A 4 27.044 36.254 8.712 1.00 0.00 H new ATOM 0 HD1 PHE A 4 24.336 34.337 7.153 1.00 0.00 H new ATOM 0 HD2 PHE A 4 28.095 36.295 6.451 1.00 0.00 H new ATOM 0 HE1 PHE A 4 23.903 34.293 4.711 1.00 0.00 H new ATOM 0 HE2 PHE A 4 27.661 36.254 4.010 1.00 0.00 H new ATOM 0 HZ PHE A 4 25.564 35.253 3.140 1.00 0.00 H new ATOM 76 N VAL A 5 28.854 34.503 10.691 1.00 0.00 N ATOM 77 CA VAL A 5 29.216 34.590 12.140 1.00 0.00 C ATOM 78 C VAL A 5 29.247 36.060 12.558 1.00 0.00 C ATOM 79 O VAL A 5 30.048 36.837 12.076 1.00 0.00 O ATOM 80 CB VAL A 5 30.593 33.966 12.365 1.00 0.00 C ATOM 81 CG1 VAL A 5 30.892 33.920 13.863 1.00 0.00 C ATOM 82 CG2 VAL A 5 30.603 32.543 11.801 1.00 0.00 C ATOM 0 H VAL A 5 29.613 34.711 10.042 1.00 0.00 H new ATOM 0 HA VAL A 5 28.478 34.052 12.735 1.00 0.00 H new ATOM 0 HB VAL A 5 31.352 34.565 11.861 1.00 0.00 H new ATOM 0 HG11 VAL A 5 31.874 33.475 14.025 1.00 0.00 H new ATOM 0 HG12 VAL A 5 30.881 34.932 14.267 1.00 0.00 H new ATOM 0 HG13 VAL A 5 30.134 33.320 14.367 1.00 0.00 H new ATOM 0 HG21 VAL A 5 31.584 32.095 11.960 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.845 31.945 12.308 1.00 0.00 H new ATOM 0 HG23 VAL A 5 30.387 32.573 10.733 1.00 0.00 H new ATOM 92 N LYS A 6 28.381 36.444 13.458 1.00 0.00 N ATOM 93 CA LYS A 6 28.355 37.860 13.923 1.00 0.00 C ATOM 94 C LYS A 6 29.270 37.997 15.145 1.00 0.00 C ATOM 95 O LYS A 6 29.026 37.406 16.180 1.00 0.00 O ATOM 96 CB LYS A 6 26.924 38.235 14.311 1.00 0.00 C ATOM 97 CG LYS A 6 26.863 39.719 14.677 1.00 0.00 C ATOM 98 CD LYS A 6 25.442 40.079 15.112 1.00 0.00 C ATOM 99 CE LYS A 6 25.390 41.552 15.520 1.00 0.00 C ATOM 100 NZ LYS A 6 24.022 41.884 16.007 1.00 0.00 N ATOM 0 H LYS A 6 27.688 35.835 13.892 1.00 0.00 H new ATOM 0 HA LYS A 6 28.700 38.522 13.129 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.246 38.026 13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.594 37.628 15.154 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.567 39.935 15.481 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.158 40.328 13.822 1.00 0.00 H new ATOM 0 HD2 LYS A 6 24.743 39.892 14.297 1.00 0.00 H new ATOM 0 HD3 LYS A 6 25.135 39.449 15.947 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.124 41.750 16.301 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.649 42.185 14.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 23.986 42.886 16.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 23.332 41.710 15.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 23.792 41.289 16.828 1.00 0.00 H new ATOM 114 N THR A 7 30.328 38.765 15.029 1.00 0.00 N ATOM 115 CA THR A 7 31.267 38.938 16.183 1.00 0.00 C ATOM 116 C THR A 7 30.937 40.237 16.926 1.00 0.00 C ATOM 117 O THR A 7 30.249 41.101 16.416 1.00 0.00 O ATOM 118 CB THR A 7 32.704 39.000 15.657 1.00 0.00 C ATOM 119 OG1 THR A 7 32.940 37.892 14.799 1.00 0.00 O ATOM 120 CG2 THR A 7 33.687 38.956 16.830 1.00 0.00 C ATOM 0 H THR A 7 30.581 39.279 14.185 1.00 0.00 H new ATOM 0 HA THR A 7 31.162 38.097 16.868 1.00 0.00 H new ATOM 0 HB THR A 7 32.846 39.928 15.104 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.859 37.931 14.460 1.00 0.00 H new ATOM 0 HG21 THR A 7 34.708 39.000 16.451 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.507 39.806 17.488 1.00 0.00 H new ATOM 0 HG23 THR A 7 33.547 38.030 17.388 1.00 0.00 H new ATOM 128 N LEU A 8 31.418 40.382 18.130 1.00 0.00 N ATOM 129 CA LEU A 8 31.129 41.621 18.909 1.00 0.00 C ATOM 130 C LEU A 8 31.846 42.816 18.271 1.00 0.00 C ATOM 131 O LEU A 8 31.518 43.956 18.531 1.00 0.00 O ATOM 132 CB LEU A 8 31.624 41.442 20.350 1.00 0.00 C ATOM 133 CG LEU A 8 30.639 40.573 21.135 1.00 0.00 C ATOM 134 CD1 LEU A 8 30.462 39.223 20.433 1.00 0.00 C ATOM 135 CD2 LEU A 8 31.182 40.348 22.549 1.00 0.00 C ATOM 0 H LEU A 8 32.000 39.695 18.610 1.00 0.00 H new ATOM 0 HA LEU A 8 30.054 41.804 18.908 1.00 0.00 H new ATOM 0 HB2 LEU A 8 32.611 40.979 20.350 1.00 0.00 H new ATOM 0 HB3 LEU A 8 31.728 42.414 20.831 1.00 0.00 H new ATOM 0 HG LEU A 8 29.674 41.076 21.187 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.760 38.609 20.997 1.00 0.00 H new ATOM 0 HD12 LEU A 8 30.076 39.384 19.426 1.00 0.00 H new ATOM 0 HD13 LEU A 8 31.424 38.714 20.376 1.00 0.00 H new ATOM 0 HD21 LEU A 8 30.484 39.729 23.113 1.00 0.00 H new ATOM 0 HD22 LEU A 8 32.148 39.846 22.492 1.00 0.00 H new ATOM 0 HD23 LEU A 8 31.302 41.309 23.050 1.00 0.00 H new ATOM 147 N THR A 9 32.827 42.569 17.445 1.00 0.00 N ATOM 148 CA THR A 9 33.561 43.699 16.806 1.00 0.00 C ATOM 149 C THR A 9 32.771 44.213 15.601 1.00 0.00 C ATOM 150 O THR A 9 33.165 45.157 14.947 1.00 0.00 O ATOM 151 CB THR A 9 34.940 43.218 16.350 1.00 0.00 C ATOM 152 OG1 THR A 9 34.790 42.092 15.498 1.00 0.00 O ATOM 153 CG2 THR A 9 35.775 42.831 17.572 1.00 0.00 C ATOM 0 H THR A 9 33.151 41.637 17.186 1.00 0.00 H new ATOM 0 HA THR A 9 33.679 44.507 17.528 1.00 0.00 H new ATOM 0 HB THR A 9 35.444 44.018 15.807 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.634 41.595 15.460 1.00 0.00 H new ATOM 0 HG21 THR A 9 36.758 42.488 17.248 1.00 0.00 H new ATOM 0 HG22 THR A 9 35.890 43.697 18.223 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.273 42.031 18.117 1.00 0.00 H new ATOM 161 N GLY A 10 31.653 43.605 15.307 1.00 0.00 N ATOM 162 CA GLY A 10 30.835 44.066 14.149 1.00 0.00 C ATOM 163 C GLY A 10 31.361 43.438 12.859 1.00 0.00 C ATOM 164 O GLY A 10 31.007 43.850 11.772 1.00 0.00 O ATOM 0 H GLY A 10 31.271 42.809 15.819 1.00 0.00 H new ATOM 0 HA2 GLY A 10 29.791 43.792 14.298 1.00 0.00 H new ATOM 0 HA3 GLY A 10 30.872 45.153 14.076 1.00 0.00 H new ATOM 168 N LYS A 11 32.197 42.439 12.961 1.00 0.00 N ATOM 169 CA LYS A 11 32.736 41.783 11.734 1.00 0.00 C ATOM 170 C LYS A 11 31.829 40.616 11.345 1.00 0.00 C ATOM 171 O LYS A 11 31.470 39.796 12.169 1.00 0.00 O ATOM 172 CB LYS A 11 34.144 41.253 12.015 1.00 0.00 C ATOM 173 CG LYS A 11 35.106 42.426 12.215 1.00 0.00 C ATOM 174 CD LYS A 11 36.505 41.888 12.523 1.00 0.00 C ATOM 175 CE LYS A 11 37.470 43.057 12.724 1.00 0.00 C ATOM 176 NZ LYS A 11 37.683 43.755 11.424 1.00 0.00 N ATOM 0 H LYS A 11 32.530 42.048 13.842 1.00 0.00 H new ATOM 0 HA LYS A 11 32.774 42.508 10.921 1.00 0.00 H new ATOM 0 HB2 LYS A 11 34.135 40.622 12.904 1.00 0.00 H new ATOM 0 HB3 LYS A 11 34.481 40.631 11.186 1.00 0.00 H new ATOM 0 HG2 LYS A 11 35.132 43.046 11.319 1.00 0.00 H new ATOM 0 HG3 LYS A 11 34.760 43.060 13.032 1.00 0.00 H new ATOM 0 HD2 LYS A 11 36.478 41.267 13.418 1.00 0.00 H new ATOM 0 HD3 LYS A 11 36.850 41.254 11.706 1.00 0.00 H new ATOM 0 HE2 LYS A 11 37.067 43.752 13.461 1.00 0.00 H new ATOM 0 HE3 LYS A 11 38.421 42.694 13.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 38.534 44.349 11.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 37.805 43.051 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 36.858 44.352 11.211 1.00 0.00 H new ATOM 190 N THR A 12 31.456 40.535 10.091 1.00 0.00 N ATOM 191 CA THR A 12 30.572 39.422 9.626 1.00 0.00 C ATOM 192 C THR A 12 31.396 38.443 8.788 1.00 0.00 C ATOM 193 O THR A 12 31.853 38.766 7.710 1.00 0.00 O ATOM 194 CB THR A 12 29.442 39.993 8.766 1.00 0.00 C ATOM 195 OG1 THR A 12 28.639 40.858 9.556 1.00 0.00 O ATOM 196 CG2 THR A 12 28.586 38.846 8.227 1.00 0.00 C ATOM 0 H THR A 12 31.728 41.197 9.365 1.00 0.00 H new ATOM 0 HA THR A 12 30.149 38.907 10.488 1.00 0.00 H new ATOM 0 HB THR A 12 29.864 40.553 7.931 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.916 41.226 9.006 1.00 0.00 H new ATOM 0 HG21 THR A 12 27.780 39.250 7.614 1.00 0.00 H new ATOM 0 HG22 THR A 12 29.205 38.183 7.622 1.00 0.00 H new ATOM 0 HG23 THR A 12 28.162 38.286 9.060 1.00 0.00 H new ATOM 204 N ILE A 13 31.581 37.244 9.280 1.00 0.00 N ATOM 205 CA ILE A 13 32.370 36.220 8.523 1.00 0.00 C ATOM 206 C ILE A 13 31.418 35.174 7.952 1.00 0.00 C ATOM 207 O ILE A 13 30.478 34.766 8.600 1.00 0.00 O ATOM 208 CB ILE A 13 33.364 35.538 9.460 1.00 0.00 C ATOM 209 CG1 ILE A 13 34.072 36.604 10.300 1.00 0.00 C ATOM 210 CG2 ILE A 13 34.393 34.762 8.630 1.00 0.00 C ATOM 211 CD1 ILE A 13 35.235 35.971 11.063 1.00 0.00 C ATOM 0 H ILE A 13 31.218 36.927 10.179 1.00 0.00 H new ATOM 0 HA ILE A 13 32.913 36.708 7.714 1.00 0.00 H new ATOM 0 HB ILE A 13 32.839 34.846 10.119 1.00 0.00 H new ATOM 0 HG12 ILE A 13 34.439 37.403 9.656 1.00 0.00 H new ATOM 0 HG13 ILE A 13 33.369 37.056 10.999 1.00 0.00 H new ATOM 0 HG21 ILE A 13 35.104 34.274 9.296 1.00 0.00 H new ATOM 0 HG22 ILE A 13 33.883 34.009 8.029 1.00 0.00 H new ATOM 0 HG23 ILE A 13 34.925 35.451 7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 13 35.736 36.733 11.660 1.00 0.00 H new ATOM 0 HD12 ILE A 13 34.856 35.187 11.719 1.00 0.00 H new ATOM 0 HD13 ILE A 13 35.943 35.540 10.355 1.00 0.00 H new ATOM 223 N THR A 14 31.657 34.741 6.741 1.00 0.00 N ATOM 224 CA THR A 14 30.766 33.716 6.103 1.00 0.00 C ATOM 225 C THR A 14 31.500 32.378 6.012 1.00 0.00 C ATOM 226 O THR A 14 32.653 32.313 5.634 1.00 0.00 O ATOM 227 CB THR A 14 30.371 34.181 4.694 1.00 0.00 C ATOM 228 OG1 THR A 14 29.681 33.131 4.030 1.00 0.00 O ATOM 229 CG2 THR A 14 31.618 34.559 3.890 1.00 0.00 C ATOM 0 H THR A 14 32.435 35.053 6.160 1.00 0.00 H new ATOM 0 HA THR A 14 29.869 33.594 6.710 1.00 0.00 H new ATOM 0 HB THR A 14 29.726 35.056 4.776 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.964 33.096 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 14 31.323 34.887 2.893 1.00 0.00 H new ATOM 0 HG22 THR A 14 32.146 35.367 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 14 32.274 33.693 3.807 1.00 0.00 H new ATOM 237 N LEU A 15 30.835 31.306 6.371 1.00 0.00 N ATOM 238 CA LEU A 15 31.473 29.952 6.324 1.00 0.00 C ATOM 239 C LEU A 15 30.604 29.004 5.496 1.00 0.00 C ATOM 240 O LEU A 15 29.389 29.046 5.552 1.00 0.00 O ATOM 241 CB LEU A 15 31.588 29.388 7.745 1.00 0.00 C ATOM 242 CG LEU A 15 32.412 30.330 8.631 1.00 0.00 C ATOM 243 CD1 LEU A 15 32.223 29.932 10.098 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.903 30.232 8.274 1.00 0.00 C ATOM 0 H LEU A 15 29.869 31.311 6.698 1.00 0.00 H new ATOM 0 HA LEU A 15 32.462 30.042 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 15 30.594 29.255 8.171 1.00 0.00 H new ATOM 0 HB3 LEU A 15 32.056 28.404 7.715 1.00 0.00 H new ATOM 0 HG LEU A 15 32.074 31.354 8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 15 32.806 30.598 10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.168 30.009 10.363 1.00 0.00 H new ATOM 0 HD13 LEU A 15 32.559 28.905 10.243 1.00 0.00 H new ATOM 0 HD21 LEU A 15 34.475 30.906 8.911 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.247 29.209 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.046 30.511 7.230 1.00 0.00 H new ATOM 256 N GLU A 16 31.224 28.121 4.758 1.00 0.00 N ATOM 257 CA GLU A 16 30.461 27.125 3.946 1.00 0.00 C ATOM 258 C GLU A 16 30.582 25.778 4.656 1.00 0.00 C ATOM 259 O GLU A 16 31.672 25.319 4.931 1.00 0.00 O ATOM 260 CB GLU A 16 31.068 27.029 2.544 1.00 0.00 C ATOM 261 CG GLU A 16 30.171 26.166 1.653 1.00 0.00 C ATOM 262 CD GLU A 16 28.857 26.902 1.382 1.00 0.00 C ATOM 263 OE1 GLU A 16 28.859 28.120 1.445 1.00 0.00 O ATOM 264 OE2 GLU A 16 27.871 26.234 1.116 1.00 0.00 O ATOM 0 H GLU A 16 32.238 28.046 4.682 1.00 0.00 H new ATOM 0 HA GLU A 16 29.416 27.420 3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 31.174 28.025 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 16 32.067 26.597 2.598 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.678 25.947 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.971 25.210 2.138 1.00 0.00 H new ATOM 271 N VAL A 17 29.484 25.138 4.968 1.00 0.00 N ATOM 272 CA VAL A 17 29.569 23.825 5.680 1.00 0.00 C ATOM 273 C VAL A 17 28.412 22.915 5.254 1.00 0.00 C ATOM 274 O VAL A 17 27.558 23.291 4.477 1.00 0.00 O ATOM 275 CB VAL A 17 29.513 24.058 7.209 1.00 0.00 C ATOM 276 CG1 VAL A 17 30.288 25.328 7.572 1.00 0.00 C ATOM 277 CG2 VAL A 17 28.053 24.206 7.680 1.00 0.00 C ATOM 0 H VAL A 17 28.539 25.463 4.763 1.00 0.00 H new ATOM 0 HA VAL A 17 30.511 23.342 5.420 1.00 0.00 H new ATOM 0 HB VAL A 17 29.963 23.197 7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 17 30.244 25.485 8.650 1.00 0.00 H new ATOM 0 HG12 VAL A 17 31.328 25.221 7.263 1.00 0.00 H new ATOM 0 HG13 VAL A 17 29.844 26.183 7.062 1.00 0.00 H new ATOM 0 HG21 VAL A 17 28.033 24.369 8.758 1.00 0.00 H new ATOM 0 HG22 VAL A 17 27.592 25.056 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 17 27.500 23.298 7.440 1.00 0.00 H new ATOM 287 N GLU A 18 28.383 21.721 5.787 1.00 0.00 N ATOM 288 CA GLU A 18 27.295 20.753 5.464 1.00 0.00 C ATOM 289 C GLU A 18 26.420 20.586 6.717 1.00 0.00 C ATOM 290 O GLU A 18 26.877 20.789 7.823 1.00 0.00 O ATOM 291 CB GLU A 18 27.932 19.401 5.094 1.00 0.00 C ATOM 292 CG GLU A 18 28.346 19.404 3.619 1.00 0.00 C ATOM 293 CD GLU A 18 29.249 20.606 3.338 1.00 0.00 C ATOM 294 OE1 GLU A 18 28.723 21.649 2.985 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.452 20.465 3.482 1.00 0.00 O ATOM 0 H GLU A 18 29.080 21.371 6.444 1.00 0.00 H new ATOM 0 HA GLU A 18 26.690 21.109 4.630 1.00 0.00 H new ATOM 0 HB2 GLU A 18 28.802 19.215 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 18 27.224 18.593 5.280 1.00 0.00 H new ATOM 0 HG2 GLU A 18 28.870 18.479 3.377 1.00 0.00 H new ATOM 0 HG3 GLU A 18 27.461 19.445 2.983 1.00 0.00 H new ATOM 302 N PRO A 19 25.179 20.207 6.561 1.00 0.00 N ATOM 303 CA PRO A 19 24.259 20.003 7.723 1.00 0.00 C ATOM 304 C PRO A 19 24.720 18.819 8.578 1.00 0.00 C ATOM 305 O PRO A 19 24.580 18.807 9.787 1.00 0.00 O ATOM 306 CB PRO A 19 22.908 19.708 7.057 1.00 0.00 C ATOM 307 CG PRO A 19 23.280 19.135 5.733 1.00 0.00 C ATOM 308 CD PRO A 19 24.505 19.922 5.286 1.00 0.00 C ATOM 0 HA PRO A 19 24.222 20.859 8.397 1.00 0.00 H new ATOM 0 HB2 PRO A 19 22.317 19.005 7.645 1.00 0.00 H new ATOM 0 HB3 PRO A 19 22.310 20.613 6.947 1.00 0.00 H new ATOM 0 HG2 PRO A 19 23.503 18.071 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 19 22.464 19.236 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 19 25.137 19.342 4.613 1.00 0.00 H new ATOM 0 HD3 PRO A 19 24.231 20.835 4.758 1.00 0.00 H new ATOM 316 N SER A 20 25.262 17.818 7.943 1.00 0.00 N ATOM 317 CA SER A 20 25.737 16.623 8.688 1.00 0.00 C ATOM 318 C SER A 20 27.120 16.909 9.274 1.00 0.00 C ATOM 319 O SER A 20 27.753 16.040 9.841 1.00 0.00 O ATOM 320 CB SER A 20 25.824 15.431 7.732 1.00 0.00 C ATOM 321 OG SER A 20 26.657 14.431 8.302 1.00 0.00 O ATOM 0 H SER A 20 25.397 17.778 6.933 1.00 0.00 H new ATOM 0 HA SER A 20 25.040 16.393 9.494 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.829 15.028 7.544 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.226 15.750 6.770 1.00 0.00 H new ATOM 0 HG SER A 20 26.857 14.663 9.233 1.00 0.00 H new ATOM 327 N ASP A 21 27.599 18.120 9.147 1.00 0.00 N ATOM 328 CA ASP A 21 28.945 18.440 9.708 1.00 0.00 C ATOM 329 C ASP A 21 28.871 18.402 11.240 1.00 0.00 C ATOM 330 O ASP A 21 27.871 18.758 11.830 1.00 0.00 O ATOM 331 CB ASP A 21 29.395 19.838 9.234 1.00 0.00 C ATOM 332 CG ASP A 21 30.926 19.940 9.247 1.00 0.00 C ATOM 333 OD1 ASP A 21 31.570 18.952 9.558 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.429 21.009 8.945 1.00 0.00 O ATOM 0 H ASP A 21 27.122 18.894 8.684 1.00 0.00 H new ATOM 0 HA ASP A 21 29.671 17.705 9.360 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.020 20.026 8.228 1.00 0.00 H new ATOM 0 HB3 ASP A 21 28.968 20.604 9.882 1.00 0.00 H new ATOM 339 N THR A 22 29.924 17.974 11.888 1.00 0.00 N ATOM 340 CA THR A 22 29.917 17.914 13.382 1.00 0.00 C ATOM 341 C THR A 22 30.473 19.224 13.942 1.00 0.00 C ATOM 342 O THR A 22 31.268 19.887 13.309 1.00 0.00 O ATOM 343 CB THR A 22 30.796 16.751 13.847 1.00 0.00 C ATOM 344 OG1 THR A 22 32.116 16.931 13.354 1.00 0.00 O ATOM 345 CG2 THR A 22 30.227 15.435 13.315 1.00 0.00 C ATOM 0 H THR A 22 30.790 17.663 11.447 1.00 0.00 H new ATOM 0 HA THR A 22 28.897 17.766 13.738 1.00 0.00 H new ATOM 0 HB THR A 22 30.815 16.722 14.936 1.00 0.00 H new ATOM 0 HG1 THR A 22 32.681 16.188 13.652 1.00 0.00 H new ATOM 0 HG21 THR A 22 30.854 14.607 13.647 1.00 0.00 H new ATOM 0 HG22 THR A 22 29.214 15.297 13.693 1.00 0.00 H new ATOM 0 HG23 THR A 22 30.207 15.461 12.225 1.00 0.00 H new ATOM 353 N ILE A 23 30.073 19.604 15.124 1.00 0.00 N ATOM 354 CA ILE A 23 30.597 20.873 15.704 1.00 0.00 C ATOM 355 C ILE A 23 32.125 20.795 15.784 1.00 0.00 C ATOM 356 O ILE A 23 32.816 21.774 15.601 1.00 0.00 O ATOM 357 CB ILE A 23 30.018 21.083 17.109 1.00 0.00 C ATOM 358 CG1 ILE A 23 28.487 20.936 17.084 1.00 0.00 C ATOM 359 CG2 ILE A 23 30.382 22.485 17.603 1.00 0.00 C ATOM 360 CD1 ILE A 23 27.890 21.801 15.969 1.00 0.00 C ATOM 0 H ILE A 23 29.411 19.095 15.710 1.00 0.00 H new ATOM 0 HA ILE A 23 30.304 21.710 15.071 1.00 0.00 H new ATOM 0 HB ILE A 23 30.436 20.331 17.779 1.00 0.00 H new ATOM 0 HG12 ILE A 23 28.217 19.892 16.928 1.00 0.00 H new ATOM 0 HG13 ILE A 23 28.070 21.232 18.047 1.00 0.00 H new ATOM 0 HG21 ILE A 23 29.972 22.637 18.601 1.00 0.00 H new ATOM 0 HG22 ILE A 23 31.467 22.589 17.637 1.00 0.00 H new ATOM 0 HG23 ILE A 23 29.967 23.229 16.923 1.00 0.00 H new ATOM 0 HD11 ILE A 23 26.806 21.688 15.962 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.145 22.846 16.144 1.00 0.00 H new ATOM 0 HD13 ILE A 23 28.294 21.485 15.007 1.00 0.00 H new ATOM 372 N GLU A 24 32.657 19.634 16.055 1.00 0.00 N ATOM 373 CA GLU A 24 34.139 19.490 16.147 1.00 0.00 C ATOM 374 C GLU A 24 34.775 19.815 14.794 1.00 0.00 C ATOM 375 O GLU A 24 35.691 20.609 14.698 1.00 0.00 O ATOM 376 CB GLU A 24 34.481 18.047 16.518 1.00 0.00 C ATOM 377 CG GLU A 24 35.962 17.948 16.894 1.00 0.00 C ATOM 378 CD GLU A 24 36.333 16.482 17.123 1.00 0.00 C ATOM 379 OE1 GLU A 24 35.454 15.644 17.007 1.00 0.00 O ATOM 380 OE2 GLU A 24 37.490 16.222 17.410 1.00 0.00 O ATOM 0 H GLU A 24 32.128 18.777 16.217 1.00 0.00 H new ATOM 0 HA GLU A 24 34.520 20.174 16.905 1.00 0.00 H new ATOM 0 HB2 GLU A 24 33.861 17.719 17.353 1.00 0.00 H new ATOM 0 HB3 GLU A 24 34.263 17.385 15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 24 36.579 18.371 16.101 1.00 0.00 H new ATOM 0 HG3 GLU A 24 36.159 18.529 17.795 1.00 0.00 H new ATOM 387 N ASN A 25 34.291 19.203 13.751 1.00 0.00 N ATOM 388 CA ASN A 25 34.860 19.462 12.394 1.00 0.00 C ATOM 389 C ASN A 25 34.617 20.919 11.998 1.00 0.00 C ATOM 390 O ASN A 25 35.422 21.534 11.324 1.00 0.00 O ATOM 391 CB ASN A 25 34.184 18.542 11.373 1.00 0.00 C ATOM 392 CG ASN A 25 34.866 18.698 10.014 1.00 0.00 C ATOM 393 OD1 ASN A 25 34.456 19.506 9.204 1.00 0.00 O ATOM 394 ND2 ASN A 25 35.897 17.953 9.726 1.00 0.00 N ATOM 0 H ASN A 25 33.523 18.532 13.777 1.00 0.00 H new ATOM 0 HA ASN A 25 35.932 19.267 12.413 1.00 0.00 H new ATOM 0 HB2 ASN A 25 34.245 17.506 11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 25 33.125 18.788 11.291 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.359 18.049 8.821 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.242 17.275 10.405 1.00 0.00 H new ATOM 401 N VAL A 26 33.515 21.478 12.413 1.00 0.00 N ATOM 402 CA VAL A 26 33.220 22.894 12.063 1.00 0.00 C ATOM 403 C VAL A 26 34.125 23.818 12.885 1.00 0.00 C ATOM 404 O VAL A 26 34.553 24.857 12.420 1.00 0.00 O ATOM 405 CB VAL A 26 31.747 23.189 12.356 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.442 24.653 12.040 1.00 0.00 C ATOM 407 CG2 VAL A 26 30.862 22.290 11.481 1.00 0.00 C ATOM 0 H VAL A 26 32.805 21.014 12.980 1.00 0.00 H new ATOM 0 HA VAL A 26 33.411 23.065 11.004 1.00 0.00 H new ATOM 0 HB VAL A 26 31.544 22.994 13.409 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.392 24.859 12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 26 32.069 25.297 12.657 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.647 24.848 10.987 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.813 22.499 11.689 1.00 0.00 H new ATOM 0 HG22 VAL A 26 31.070 22.487 10.429 1.00 0.00 H new ATOM 0 HG23 VAL A 26 31.074 21.244 11.703 1.00 0.00 H new ATOM 417 N LYS A 27 34.433 23.440 14.099 1.00 0.00 N ATOM 418 CA LYS A 27 35.327 24.280 14.944 1.00 0.00 C ATOM 419 C LYS A 27 36.680 24.346 14.251 1.00 0.00 C ATOM 420 O LYS A 27 37.365 25.350 14.265 1.00 0.00 O ATOM 421 CB LYS A 27 35.489 23.620 16.321 1.00 0.00 C ATOM 422 CG LYS A 27 34.256 23.899 17.199 1.00 0.00 C ATOM 423 CD LYS A 27 34.390 25.260 17.896 1.00 0.00 C ATOM 424 CE LYS A 27 33.285 25.403 18.944 1.00 0.00 C ATOM 425 NZ LYS A 27 31.955 25.263 18.285 1.00 0.00 N ATOM 0 H LYS A 27 34.102 22.582 14.541 1.00 0.00 H new ATOM 0 HA LYS A 27 34.912 25.279 15.076 1.00 0.00 H new ATOM 0 HB2 LYS A 27 35.623 22.545 16.202 1.00 0.00 H new ATOM 0 HB3 LYS A 27 36.385 24.001 16.810 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.355 23.885 16.586 1.00 0.00 H new ATOM 0 HG3 LYS A 27 34.147 23.111 17.944 1.00 0.00 H new ATOM 0 HD2 LYS A 27 35.368 25.344 18.369 1.00 0.00 H new ATOM 0 HD3 LYS A 27 34.319 26.065 17.164 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.402 24.644 19.717 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.359 26.373 19.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.360 26.081 18.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.081 25.219 17.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.494 24.391 18.614 1.00 0.00 H new ATOM 439 N ALA A 28 37.050 23.268 13.627 1.00 0.00 N ATOM 440 CA ALA A 28 38.338 23.226 12.899 1.00 0.00 C ATOM 441 C ALA A 28 38.289 24.262 11.774 1.00 0.00 C ATOM 442 O ALA A 28 39.163 25.095 11.637 1.00 0.00 O ATOM 443 CB ALA A 28 38.508 21.819 12.327 1.00 0.00 C ATOM 0 H ALA A 28 36.507 22.405 13.591 1.00 0.00 H new ATOM 0 HA ALA A 28 39.178 23.455 13.555 1.00 0.00 H new ATOM 0 HB1 ALA A 28 39.451 21.759 11.784 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.511 21.093 13.140 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.684 21.600 11.648 1.00 0.00 H new ATOM 449 N LYS A 29 37.265 24.200 10.967 1.00 0.00 N ATOM 450 CA LYS A 29 37.133 25.166 9.843 1.00 0.00 C ATOM 451 C LYS A 29 37.337 26.590 10.366 1.00 0.00 C ATOM 452 O LYS A 29 38.076 27.369 9.802 1.00 0.00 O ATOM 453 CB LYS A 29 35.728 25.057 9.240 1.00 0.00 C ATOM 454 CG LYS A 29 35.452 23.613 8.771 1.00 0.00 C ATOM 455 CD LYS A 29 35.989 23.399 7.342 1.00 0.00 C ATOM 456 CE LYS A 29 34.947 23.855 6.312 1.00 0.00 C ATOM 457 NZ LYS A 29 35.505 23.699 4.939 1.00 0.00 N ATOM 0 H LYS A 29 36.511 23.517 11.040 1.00 0.00 H new ATOM 0 HA LYS A 29 37.882 24.940 9.084 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.984 25.354 9.980 1.00 0.00 H new ATOM 0 HB3 LYS A 29 35.633 25.743 8.399 1.00 0.00 H new ATOM 0 HG2 LYS A 29 35.924 22.906 9.453 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.381 23.414 8.797 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.915 23.958 7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 29 36.227 22.346 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.036 23.266 6.415 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.675 24.896 6.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 34.799 24.008 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.363 24.280 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 35.743 22.700 4.772 1.00 0.00 H new ATOM 471 N ILE A 30 36.690 26.933 11.444 1.00 0.00 N ATOM 472 CA ILE A 30 36.847 28.308 11.998 1.00 0.00 C ATOM 473 C ILE A 30 38.294 28.516 12.445 1.00 0.00 C ATOM 474 O ILE A 30 38.844 29.591 12.318 1.00 0.00 O ATOM 475 CB ILE A 30 35.915 28.490 13.195 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.464 28.355 12.728 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.126 29.885 13.800 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.545 28.230 13.945 1.00 0.00 C ATOM 0 H ILE A 30 36.060 26.323 11.965 1.00 0.00 H new ATOM 0 HA ILE A 30 36.594 29.037 11.228 1.00 0.00 H new ATOM 0 HB ILE A 30 36.132 27.731 13.947 1.00 0.00 H new ATOM 0 HG12 ILE A 30 34.180 29.223 12.133 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.357 27.480 12.087 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.461 30.016 14.654 1.00 0.00 H new ATOM 0 HG22 ILE A 30 37.161 29.987 14.127 1.00 0.00 H new ATOM 0 HG23 ILE A 30 35.906 30.644 13.050 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.512 28.134 13.612 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.824 27.349 14.522 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.644 29.118 14.569 1.00 0.00 H new ATOM 490 N GLN A 31 38.908 27.495 12.971 1.00 0.00 N ATOM 491 CA GLN A 31 40.317 27.624 13.436 1.00 0.00 C ATOM 492 C GLN A 31 41.243 27.865 12.240 1.00 0.00 C ATOM 493 O GLN A 31 42.080 28.741 12.260 1.00 0.00 O ATOM 494 CB GLN A 31 40.730 26.331 14.143 1.00 0.00 C ATOM 495 CG GLN A 31 42.147 26.476 14.701 1.00 0.00 C ATOM 496 CD GLN A 31 42.517 25.215 15.488 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.465 25.216 16.247 1.00 0.00 O ATOM 498 NE2 GLN A 31 41.803 24.133 15.336 1.00 0.00 N ATOM 0 H GLN A 31 38.493 26.572 13.100 1.00 0.00 H new ATOM 0 HA GLN A 31 40.395 28.467 14.123 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.032 26.108 14.950 1.00 0.00 H new ATOM 0 HB3 GLN A 31 40.688 25.495 13.445 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.856 26.631 13.887 1.00 0.00 H new ATOM 0 HG3 GLN A 31 42.207 27.352 15.347 1.00 0.00 H new ATOM 0 HE21 GLN A 31 41.007 24.133 14.698 1.00 0.00 H new ATOM 0 HE22 GLN A 31 42.041 23.288 15.855 1.00 0.00 H new ATOM 507 N ASP A 32 41.119 27.076 11.210 1.00 0.00 N ATOM 508 CA ASP A 32 42.015 27.236 10.026 1.00 0.00 C ATOM 509 C ASP A 32 41.731 28.548 9.278 1.00 0.00 C ATOM 510 O ASP A 32 42.594 29.075 8.606 1.00 0.00 O ATOM 511 CB ASP A 32 41.796 26.061 9.072 1.00 0.00 C ATOM 512 CG ASP A 32 42.815 26.130 7.933 1.00 0.00 C ATOM 513 OD1 ASP A 32 43.980 25.876 8.192 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.413 26.436 6.824 1.00 0.00 O ATOM 0 H ASP A 32 40.434 26.324 11.135 1.00 0.00 H new ATOM 0 HA ASP A 32 43.046 27.260 10.379 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.899 25.118 9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.783 26.089 8.670 1.00 0.00 H new ATOM 519 N LYS A 33 40.535 29.072 9.362 1.00 0.00 N ATOM 520 CA LYS A 33 40.223 30.336 8.623 1.00 0.00 C ATOM 521 C LYS A 33 40.482 31.567 9.501 1.00 0.00 C ATOM 522 O LYS A 33 41.100 32.520 9.069 1.00 0.00 O ATOM 523 CB LYS A 33 38.755 30.315 8.195 1.00 0.00 C ATOM 524 CG LYS A 33 38.540 29.181 7.192 1.00 0.00 C ATOM 525 CD LYS A 33 37.159 29.317 6.548 1.00 0.00 C ATOM 526 CE LYS A 33 36.922 28.144 5.597 1.00 0.00 C ATOM 527 NZ LYS A 33 37.928 28.183 4.498 1.00 0.00 N ATOM 0 H LYS A 33 39.765 28.684 9.906 1.00 0.00 H new ATOM 0 HA LYS A 33 40.871 30.398 7.749 1.00 0.00 H new ATOM 0 HB2 LYS A 33 38.112 30.175 9.064 1.00 0.00 H new ATOM 0 HB3 LYS A 33 38.481 31.270 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 33 39.314 29.209 6.425 1.00 0.00 H new ATOM 0 HG3 LYS A 33 38.624 28.217 7.694 1.00 0.00 H new ATOM 0 HD2 LYS A 33 36.387 29.337 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 33 37.091 30.259 6.004 1.00 0.00 H new ATOM 0 HE2 LYS A 33 36.997 27.202 6.139 1.00 0.00 H new ATOM 0 HE3 LYS A 33 35.915 28.195 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 37.591 27.610 3.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 38.064 29.166 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 38.832 27.801 4.841 1.00 0.00 H new ATOM 541 N GLU A 34 40.010 31.572 10.721 1.00 0.00 N ATOM 542 CA GLU A 34 40.232 32.763 11.599 1.00 0.00 C ATOM 543 C GLU A 34 41.573 32.624 12.327 1.00 0.00 C ATOM 544 O GLU A 34 42.210 33.601 12.667 1.00 0.00 O ATOM 545 CB GLU A 34 39.090 32.862 12.613 1.00 0.00 C ATOM 546 CG GLU A 34 37.830 33.383 11.913 1.00 0.00 C ATOM 547 CD GLU A 34 37.465 32.451 10.758 1.00 0.00 C ATOM 548 OE1 GLU A 34 37.248 31.279 11.014 1.00 0.00 O ATOM 549 OE2 GLU A 34 37.410 32.925 9.635 1.00 0.00 O ATOM 0 H GLU A 34 39.484 30.809 11.146 1.00 0.00 H new ATOM 0 HA GLU A 34 40.253 33.668 10.992 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.896 31.885 13.055 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.369 33.530 13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 34 37.005 33.440 12.623 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.000 34.393 11.539 1.00 0.00 H new ATOM 556 N GLY A 35 42.018 31.417 12.541 1.00 0.00 N ATOM 557 CA GLY A 35 43.333 31.209 13.218 1.00 0.00 C ATOM 558 C GLY A 35 43.190 31.287 14.743 1.00 0.00 C ATOM 559 O GLY A 35 44.149 31.100 15.466 1.00 0.00 O ATOM 0 H GLY A 35 41.528 30.562 12.276 1.00 0.00 H new ATOM 0 HA2 GLY A 35 43.740 30.237 12.937 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.043 31.962 12.878 1.00 0.00 H new ATOM 563 N ILE A 36 42.016 31.558 15.250 1.00 0.00 N ATOM 564 CA ILE A 36 41.851 31.639 16.736 1.00 0.00 C ATOM 565 C ILE A 36 41.486 30.243 17.280 1.00 0.00 C ATOM 566 O ILE A 36 40.461 29.700 16.916 1.00 0.00 O ATOM 567 CB ILE A 36 40.722 32.619 17.069 1.00 0.00 C ATOM 568 CG1 ILE A 36 40.917 33.922 16.280 1.00 0.00 C ATOM 569 CG2 ILE A 36 40.738 32.924 18.568 1.00 0.00 C ATOM 570 CD1 ILE A 36 42.341 34.456 16.475 1.00 0.00 C ATOM 0 H ILE A 36 41.169 31.726 14.707 1.00 0.00 H new ATOM 0 HA ILE A 36 42.780 31.983 17.190 1.00 0.00 H new ATOM 0 HB ILE A 36 39.765 32.173 16.797 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.730 33.745 15.221 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.194 34.667 16.611 1.00 0.00 H new ATOM 0 HG21 ILE A 36 39.935 33.621 18.806 1.00 0.00 H new ATOM 0 HG22 ILE A 36 40.595 32.000 19.129 1.00 0.00 H new ATOM 0 HG23 ILE A 36 41.696 33.368 18.839 1.00 0.00 H new ATOM 0 HD11 ILE A 36 42.464 35.380 15.910 1.00 0.00 H new ATOM 0 HD12 ILE A 36 42.514 34.652 17.533 1.00 0.00 H new ATOM 0 HD13 ILE A 36 43.059 33.716 16.121 1.00 0.00 H new ATOM 582 N PRO A 37 42.296 29.646 18.140 1.00 0.00 N ATOM 583 CA PRO A 37 41.988 28.291 18.695 1.00 0.00 C ATOM 584 C PRO A 37 40.542 28.185 19.219 1.00 0.00 C ATOM 585 O PRO A 37 39.949 29.165 19.628 1.00 0.00 O ATOM 586 CB PRO A 37 42.987 28.136 19.852 1.00 0.00 C ATOM 587 CG PRO A 37 44.151 28.991 19.473 1.00 0.00 C ATOM 588 CD PRO A 37 43.580 30.163 18.666 1.00 0.00 C ATOM 0 HA PRO A 37 42.074 27.515 17.934 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.550 28.460 20.797 1.00 0.00 H new ATOM 0 HB3 PRO A 37 43.286 27.096 19.979 1.00 0.00 H new ATOM 0 HG2 PRO A 37 44.676 29.348 20.359 1.00 0.00 H new ATOM 0 HG3 PRO A 37 44.872 28.426 18.882 1.00 0.00 H new ATOM 0 HD2 PRO A 37 43.429 31.042 19.292 1.00 0.00 H new ATOM 0 HD3 PRO A 37 44.252 30.457 17.860 1.00 0.00 H new ATOM 596 N PRO A 38 39.980 27.000 19.212 1.00 0.00 N ATOM 597 CA PRO A 38 38.584 26.766 19.689 1.00 0.00 C ATOM 598 C PRO A 38 38.454 26.927 21.205 1.00 0.00 C ATOM 599 O PRO A 38 37.371 27.087 21.730 1.00 0.00 O ATOM 600 CB PRO A 38 38.299 25.323 19.260 1.00 0.00 C ATOM 601 CG PRO A 38 39.636 24.683 19.282 1.00 0.00 C ATOM 602 CD PRO A 38 40.602 25.743 18.763 1.00 0.00 C ATOM 0 HA PRO A 38 37.880 27.487 19.274 1.00 0.00 H new ATOM 0 HB2 PRO A 38 37.607 24.831 19.944 1.00 0.00 H new ATOM 0 HB3 PRO A 38 37.850 25.281 18.267 1.00 0.00 H new ATOM 0 HG2 PRO A 38 39.904 24.368 20.290 1.00 0.00 H new ATOM 0 HG3 PRO A 38 39.656 23.793 18.654 1.00 0.00 H new ATOM 0 HD2 PRO A 38 41.602 25.616 19.177 1.00 0.00 H new ATOM 0 HD3 PRO A 38 40.699 25.705 17.678 1.00 0.00 H new ATOM 610 N ASP A 39 39.548 26.878 21.916 1.00 0.00 N ATOM 611 CA ASP A 39 39.478 27.023 23.394 1.00 0.00 C ATOM 612 C ASP A 39 39.306 28.496 23.770 1.00 0.00 C ATOM 613 O ASP A 39 39.159 28.825 24.931 1.00 0.00 O ATOM 614 CB ASP A 39 40.772 26.492 24.015 1.00 0.00 C ATOM 615 CG ASP A 39 40.706 26.632 25.537 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.622 26.500 26.079 1.00 0.00 O ATOM 617 OD2 ASP A 39 41.743 26.870 26.136 1.00 0.00 O ATOM 0 H ASP A 39 40.485 26.744 21.536 1.00 0.00 H new ATOM 0 HA ASP A 39 38.625 26.457 23.768 1.00 0.00 H new ATOM 0 HB2 ASP A 39 40.916 25.447 23.742 1.00 0.00 H new ATOM 0 HB3 ASP A 39 41.627 27.044 23.626 1.00 0.00 H new ATOM 622 N GLN A 40 39.322 29.389 22.806 1.00 0.00 N ATOM 623 CA GLN A 40 39.159 30.847 23.116 1.00 0.00 C ATOM 624 C GLN A 40 37.825 31.345 22.557 1.00 0.00 C ATOM 625 O GLN A 40 37.363 32.415 22.903 1.00 0.00 O ATOM 626 CB GLN A 40 40.290 31.632 22.451 1.00 0.00 C ATOM 627 CG GLN A 40 41.626 31.260 23.093 1.00 0.00 C ATOM 628 CD GLN A 40 42.727 32.151 22.519 1.00 0.00 C ATOM 629 OE1 GLN A 40 43.592 31.684 21.804 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.729 33.425 22.799 1.00 0.00 N ATOM 0 H GLN A 40 39.441 29.170 21.817 1.00 0.00 H new ATOM 0 HA GLN A 40 39.184 30.990 24.196 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.316 31.415 21.383 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.112 32.702 22.555 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.570 31.383 24.175 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.855 30.211 22.903 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.003 33.816 23.399 1.00 0.00 H new ATOM 0 HE22 GLN A 40 43.457 34.030 22.418 1.00 0.00 H new ATOM 639 N GLN A 41 37.213 30.586 21.681 1.00 0.00 N ATOM 640 CA GLN A 41 35.912 31.016 21.071 1.00 0.00 C ATOM 641 C GLN A 41 34.784 30.077 21.491 1.00 0.00 C ATOM 642 O GLN A 41 34.954 28.877 21.585 1.00 0.00 O ATOM 643 CB GLN A 41 36.036 30.978 19.548 1.00 0.00 C ATOM 644 CG GLN A 41 36.981 32.084 19.082 1.00 0.00 C ATOM 645 CD GLN A 41 37.082 32.050 17.557 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.793 33.027 16.895 1.00 0.00 O ATOM 647 NE2 GLN A 41 37.477 30.956 16.967 1.00 0.00 N ATOM 0 H GLN A 41 37.559 29.682 21.359 1.00 0.00 H new ATOM 0 HA GLN A 41 35.684 32.025 21.414 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.412 30.006 19.228 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.055 31.107 19.090 1.00 0.00 H new ATOM 0 HG2 GLN A 41 36.614 33.056 19.412 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.967 31.948 19.527 1.00 0.00 H new ATOM 0 HE21 GLN A 41 37.720 30.136 17.523 1.00 0.00 H new ATOM 0 HE22 GLN A 41 37.543 30.921 15.950 1.00 0.00 H new ATOM 656 N ARG A 42 33.619 30.628 21.722 1.00 0.00 N ATOM 657 CA ARG A 42 32.437 29.805 22.113 1.00 0.00 C ATOM 658 C ARG A 42 31.273 30.179 21.195 1.00 0.00 C ATOM 659 O ARG A 42 30.859 31.321 21.114 1.00 0.00 O ATOM 660 CB ARG A 42 32.101 30.071 23.586 1.00 0.00 C ATOM 661 CG ARG A 42 33.316 29.664 24.469 1.00 0.00 C ATOM 662 CD ARG A 42 32.884 28.993 25.790 1.00 0.00 C ATOM 663 NE ARG A 42 32.909 30.013 26.877 1.00 0.00 N ATOM 664 CZ ARG A 42 33.509 29.792 28.025 1.00 0.00 C ATOM 665 NH1 ARG A 42 33.404 30.675 28.958 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.237 28.730 28.234 1.00 0.00 N ATOM 0 H ARG A 42 33.436 31.629 21.655 1.00 0.00 H new ATOM 0 HA ARG A 42 32.644 28.740 22.006 1.00 0.00 H new ATOM 0 HB2 ARG A 42 31.866 31.125 23.733 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.217 29.504 23.878 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.956 28.981 23.910 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.912 30.549 24.692 1.00 0.00 H new ATOM 0 HD2 ARG A 42 31.883 28.572 25.690 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.554 28.168 26.031 1.00 0.00 H new ATOM 0 HE ARG A 42 32.446 30.909 26.725 1.00 0.00 H new ATOM 0 HH11 ARG A 42 32.863 31.525 28.797 1.00 0.00 H new ATOM 0 HH12 ARG A 42 33.862 30.524 29.857 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.355 28.039 27.493 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.688 28.591 29.138 1.00 0.00 H new ATOM 680 N LEU A 43 30.781 29.221 20.455 1.00 0.00 N ATOM 681 CA LEU A 43 29.685 29.500 19.482 1.00 0.00 C ATOM 682 C LEU A 43 28.308 29.289 20.120 1.00 0.00 C ATOM 683 O LEU A 43 27.990 28.221 20.608 1.00 0.00 O ATOM 684 CB LEU A 43 29.836 28.556 18.288 1.00 0.00 C ATOM 685 CG LEU A 43 31.309 28.484 17.873 1.00 0.00 C ATOM 686 CD1 LEU A 43 31.442 27.626 16.613 1.00 0.00 C ATOM 687 CD2 LEU A 43 31.834 29.896 17.590 1.00 0.00 C ATOM 0 H LEU A 43 31.094 28.251 20.483 1.00 0.00 H new ATOM 0 HA LEU A 43 29.757 30.540 19.164 1.00 0.00 H new ATOM 0 HB2 LEU A 43 29.472 27.562 18.549 1.00 0.00 H new ATOM 0 HB3 LEU A 43 29.229 28.909 17.454 1.00 0.00 H new ATOM 0 HG LEU A 43 31.891 28.038 18.680 1.00 0.00 H new ATOM 0 HD11 LEU A 43 32.490 27.574 16.317 1.00 0.00 H new ATOM 0 HD12 LEU A 43 31.072 26.621 16.816 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.859 28.071 15.807 1.00 0.00 H new ATOM 0 HD21 LEU A 43 32.882 29.842 17.295 1.00 0.00 H new ATOM 0 HD22 LEU A 43 31.253 30.346 16.785 1.00 0.00 H new ATOM 0 HD23 LEU A 43 31.741 30.506 18.489 1.00 0.00 H new ATOM 699 N ILE A 44 27.488 30.312 20.102 1.00 0.00 N ATOM 700 CA ILE A 44 26.110 30.214 20.682 1.00 0.00 C ATOM 701 C ILE A 44 25.095 30.273 19.532 1.00 0.00 C ATOM 702 O ILE A 44 25.246 31.034 18.596 1.00 0.00 O ATOM 703 CB ILE A 44 25.872 31.398 21.634 1.00 0.00 C ATOM 704 CG1 ILE A 44 26.675 31.193 22.929 1.00 0.00 C ATOM 705 CG2 ILE A 44 24.380 31.495 21.982 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.186 31.284 22.658 1.00 0.00 C ATOM 0 H ILE A 44 27.718 31.223 19.705 1.00 0.00 H new ATOM 0 HA ILE A 44 25.999 29.281 21.234 1.00 0.00 H new ATOM 0 HB ILE A 44 26.194 32.316 21.142 1.00 0.00 H new ATOM 0 HG12 ILE A 44 26.387 31.946 23.663 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.437 30.220 23.359 1.00 0.00 H new ATOM 0 HG21 ILE A 44 24.218 32.336 22.657 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.803 31.645 21.070 1.00 0.00 H new ATOM 0 HG23 ILE A 44 24.059 30.573 22.467 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.732 31.136 23.589 1.00 0.00 H new ATOM 0 HD12 ILE A 44 28.474 30.515 21.942 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.424 32.266 22.250 1.00 0.00 H new ATOM 718 N PHE A 45 24.051 29.489 19.605 1.00 0.00 N ATOM 719 CA PHE A 45 23.010 29.512 18.533 1.00 0.00 C ATOM 720 C PHE A 45 21.664 29.131 19.148 1.00 0.00 C ATOM 721 O PHE A 45 21.570 28.212 19.936 1.00 0.00 O ATOM 722 CB PHE A 45 23.366 28.522 17.420 1.00 0.00 C ATOM 723 CG PHE A 45 22.226 28.459 16.426 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.119 29.424 15.416 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.273 27.437 16.520 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.059 29.367 14.503 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.214 27.380 15.606 1.00 0.00 C ATOM 728 CZ PHE A 45 20.106 28.345 14.597 1.00 0.00 C ATOM 0 H PHE A 45 23.873 28.831 20.364 1.00 0.00 H new ATOM 0 HA PHE A 45 22.957 30.512 18.102 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.283 28.833 16.920 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.552 27.534 17.841 1.00 0.00 H new ATOM 0 HD1 PHE A 45 22.854 30.212 15.342 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.355 26.692 17.298 1.00 0.00 H new ATOM 0 HE1 PHE A 45 20.976 30.112 13.725 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.480 26.591 15.679 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.289 28.301 13.892 1.00 0.00 H new ATOM 738 N ALA A 46 20.624 29.833 18.800 1.00 0.00 N ATOM 739 CA ALA A 46 19.285 29.516 19.368 1.00 0.00 C ATOM 740 C ALA A 46 19.355 29.576 20.898 1.00 0.00 C ATOM 741 O ALA A 46 18.385 29.318 21.582 1.00 0.00 O ATOM 742 CB ALA A 46 18.861 28.111 18.932 1.00 0.00 C ATOM 0 H ALA A 46 20.643 30.615 18.145 1.00 0.00 H new ATOM 0 HA ALA A 46 18.557 30.242 19.006 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.881 27.881 19.349 1.00 0.00 H new ATOM 0 HB2 ALA A 46 18.812 28.067 17.844 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.588 27.383 19.292 1.00 0.00 H new ATOM 748 N GLY A 47 20.496 29.923 21.440 1.00 0.00 N ATOM 749 CA GLY A 47 20.637 30.011 22.924 1.00 0.00 C ATOM 750 C GLY A 47 21.304 28.746 23.476 1.00 0.00 C ATOM 751 O GLY A 47 21.182 28.445 24.646 1.00 0.00 O ATOM 0 H GLY A 47 21.340 30.150 20.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.230 30.887 23.188 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.656 30.141 23.381 1.00 0.00 H new ATOM 755 N LYS A 48 22.023 28.008 22.655 1.00 0.00 N ATOM 756 CA LYS A 48 22.711 26.768 23.155 1.00 0.00 C ATOM 757 C LYS A 48 24.163 26.780 22.726 1.00 0.00 C ATOM 758 O LYS A 48 24.509 27.153 21.623 1.00 0.00 O ATOM 759 CB LYS A 48 22.046 25.482 22.595 1.00 0.00 C ATOM 760 CG LYS A 48 20.829 25.061 23.469 1.00 0.00 C ATOM 761 CD LYS A 48 19.511 25.227 22.693 1.00 0.00 C ATOM 762 CE LYS A 48 19.206 26.712 22.485 1.00 0.00 C ATOM 763 NZ LYS A 48 17.868 26.856 21.845 1.00 0.00 N ATOM 0 H LYS A 48 22.162 28.210 21.665 1.00 0.00 H new ATOM 0 HA LYS A 48 22.630 26.763 24.242 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.720 25.653 21.569 1.00 0.00 H new ATOM 0 HB3 LYS A 48 22.776 24.673 22.567 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.943 24.023 23.782 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.801 25.666 24.375 1.00 0.00 H new ATOM 0 HD2 LYS A 48 19.582 24.724 21.729 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.696 24.754 23.240 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.223 27.236 23.441 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.972 27.168 21.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.651 27.865 21.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.874 26.384 20.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.144 26.420 22.451 1.00 0.00 H new ATOM 777 N GLN A 49 25.008 26.341 23.602 1.00 0.00 N ATOM 778 CA GLN A 49 26.452 26.278 23.278 1.00 0.00 C ATOM 779 C GLN A 49 26.700 25.004 22.482 1.00 0.00 C ATOM 780 O GLN A 49 26.436 23.911 22.940 1.00 0.00 O ATOM 781 CB GLN A 49 27.278 26.245 24.552 1.00 0.00 C ATOM 782 CG GLN A 49 26.889 27.423 25.443 1.00 0.00 C ATOM 783 CD GLN A 49 27.838 27.494 26.641 1.00 0.00 C ATOM 784 OE1 GLN A 49 28.997 27.146 26.534 1.00 0.00 O ATOM 785 NE2 GLN A 49 27.391 27.934 27.785 1.00 0.00 N ATOM 0 H GLN A 49 24.760 26.020 24.538 1.00 0.00 H new ATOM 0 HA GLN A 49 26.741 27.157 22.702 1.00 0.00 H new ATOM 0 HB2 GLN A 49 27.113 25.306 25.080 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.340 26.293 24.311 1.00 0.00 H new ATOM 0 HG2 GLN A 49 26.934 28.352 24.875 1.00 0.00 H new ATOM 0 HG3 GLN A 49 25.861 27.309 25.787 1.00 0.00 H new ATOM 0 HE21 GLN A 49 26.418 28.226 27.874 1.00 0.00 H new ATOM 0 HE22 GLN A 49 28.015 27.986 28.590 1.00 0.00 H new ATOM 794 N LEU A 50 27.193 25.135 21.292 1.00 0.00 N ATOM 795 CA LEU A 50 27.443 23.928 20.462 1.00 0.00 C ATOM 796 C LEU A 50 28.459 23.025 21.168 1.00 0.00 C ATOM 797 O LEU A 50 29.586 23.413 21.404 1.00 0.00 O ATOM 798 CB LEU A 50 27.990 24.356 19.098 1.00 0.00 C ATOM 799 CG LEU A 50 27.176 25.537 18.560 1.00 0.00 C ATOM 800 CD1 LEU A 50 27.620 25.853 17.131 1.00 0.00 C ATOM 801 CD2 LEU A 50 25.685 25.180 18.564 1.00 0.00 C ATOM 0 H LEU A 50 27.435 26.024 20.854 1.00 0.00 H new ATOM 0 HA LEU A 50 26.512 23.379 20.322 1.00 0.00 H new ATOM 0 HB2 LEU A 50 29.039 24.637 19.189 1.00 0.00 H new ATOM 0 HB3 LEU A 50 27.943 23.521 18.399 1.00 0.00 H new ATOM 0 HG LEU A 50 27.341 26.408 19.194 1.00 0.00 H new ATOM 0 HD11 LEU A 50 27.041 26.693 16.748 1.00 0.00 H new ATOM 0 HD12 LEU A 50 28.679 26.110 17.128 1.00 0.00 H new ATOM 0 HD13 LEU A 50 27.457 24.981 16.498 1.00 0.00 H new ATOM 0 HD21 LEU A 50 25.108 26.022 18.181 1.00 0.00 H new ATOM 0 HD22 LEU A 50 25.518 24.308 17.932 1.00 0.00 H new ATOM 0 HD23 LEU A 50 25.367 24.956 19.582 1.00 0.00 H new ATOM 813 N GLU A 51 28.075 21.815 21.498 1.00 0.00 N ATOM 814 CA GLU A 51 29.033 20.885 22.177 1.00 0.00 C ATOM 815 C GLU A 51 29.707 20.004 21.122 1.00 0.00 C ATOM 816 O GLU A 51 29.126 19.651 20.108 1.00 0.00 O ATOM 817 CB GLU A 51 28.302 19.987 23.177 1.00 0.00 C ATOM 818 CG GLU A 51 27.717 20.823 24.319 1.00 0.00 C ATOM 819 CD GLU A 51 26.928 19.906 25.258 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.743 19.731 25.025 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.522 19.390 26.190 1.00 0.00 O ATOM 0 H GLU A 51 27.145 21.432 21.328 1.00 0.00 H new ATOM 0 HA GLU A 51 29.774 21.478 22.712 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.505 19.443 22.671 1.00 0.00 H new ATOM 0 HB3 GLU A 51 28.991 19.243 23.578 1.00 0.00 H new ATOM 0 HG2 GLU A 51 28.516 21.324 24.866 1.00 0.00 H new ATOM 0 HG3 GLU A 51 27.067 21.602 23.920 1.00 0.00 H new ATOM 828 N ASP A 52 30.934 19.651 21.358 1.00 0.00 N ATOM 829 CA ASP A 52 31.678 18.805 20.388 1.00 0.00 C ATOM 830 C ASP A 52 30.994 17.447 20.220 1.00 0.00 C ATOM 831 O ASP A 52 30.579 16.823 21.175 1.00 0.00 O ATOM 832 CB ASP A 52 33.092 18.587 20.922 1.00 0.00 C ATOM 833 CG ASP A 52 33.007 18.024 22.343 1.00 0.00 C ATOM 834 OD1 ASP A 52 32.216 18.540 23.117 1.00 0.00 O ATOM 835 OD2 ASP A 52 33.729 17.085 22.633 1.00 0.00 O ATOM 0 H ASP A 52 31.461 19.915 22.191 1.00 0.00 H new ATOM 0 HA ASP A 52 31.701 19.306 19.420 1.00 0.00 H new ATOM 0 HB2 ASP A 52 33.636 17.898 20.276 1.00 0.00 H new ATOM 0 HB3 ASP A 52 33.644 19.527 20.922 1.00 0.00 H new ATOM 840 N GLY A 53 30.908 16.970 19.004 1.00 0.00 N ATOM 841 CA GLY A 53 30.293 15.633 18.753 1.00 0.00 C ATOM 842 C GLY A 53 28.844 15.750 18.258 1.00 0.00 C ATOM 843 O GLY A 53 28.314 14.806 17.709 1.00 0.00 O ATOM 0 H GLY A 53 31.240 17.453 18.169 1.00 0.00 H new ATOM 0 HA2 GLY A 53 30.886 15.094 18.014 1.00 0.00 H new ATOM 0 HA3 GLY A 53 30.316 15.045 19.671 1.00 0.00 H new ATOM 847 N ARG A 54 28.177 16.871 18.430 1.00 0.00 N ATOM 848 CA ARG A 54 26.762 16.952 17.934 1.00 0.00 C ATOM 849 C ARG A 54 26.760 17.357 16.454 1.00 0.00 C ATOM 850 O ARG A 54 27.756 17.804 15.920 1.00 0.00 O ATOM 851 CB ARG A 54 25.963 17.962 18.771 1.00 0.00 C ATOM 852 CG ARG A 54 25.891 17.466 20.225 1.00 0.00 C ATOM 853 CD ARG A 54 25.143 18.470 21.131 1.00 0.00 C ATOM 854 NE ARG A 54 23.731 18.030 21.330 1.00 0.00 N ATOM 855 CZ ARG A 54 23.111 18.241 22.472 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.885 17.819 22.628 1.00 0.00 N ATOM 857 NH2 ARG A 54 23.699 18.869 23.451 1.00 0.00 N ATOM 0 H ARG A 54 28.539 17.712 18.880 1.00 0.00 H new ATOM 0 HA ARG A 54 26.288 15.975 18.034 1.00 0.00 H new ATOM 0 HB2 ARG A 54 26.438 18.942 18.731 1.00 0.00 H new ATOM 0 HB3 ARG A 54 24.959 18.077 18.363 1.00 0.00 H new ATOM 0 HG2 ARG A 54 25.386 16.500 20.256 1.00 0.00 H new ATOM 0 HG3 ARG A 54 26.900 17.311 20.608 1.00 0.00 H new ATOM 0 HD2 ARG A 54 25.647 18.547 22.094 1.00 0.00 H new ATOM 0 HD3 ARG A 54 25.163 19.462 20.681 1.00 0.00 H new ATOM 0 HE ARG A 54 23.239 17.559 20.570 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.414 17.329 21.868 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.399 17.979 23.510 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.655 19.206 23.339 1.00 0.00 H new ATOM 0 HH22 ARG A 54 23.203 19.023 24.329 1.00 0.00 H new ATOM 871 N THR A 55 25.652 17.169 15.780 1.00 0.00 N ATOM 872 CA THR A 55 25.580 17.505 14.321 1.00 0.00 C ATOM 873 C THR A 55 24.864 18.846 14.099 1.00 0.00 C ATOM 874 O THR A 55 23.953 19.203 14.814 1.00 0.00 O ATOM 875 CB THR A 55 24.795 16.397 13.611 1.00 0.00 C ATOM 876 OG1 THR A 55 25.311 15.131 14.000 1.00 0.00 O ATOM 877 CG2 THR A 55 24.926 16.558 12.098 1.00 0.00 C ATOM 0 H THR A 55 24.790 16.796 16.178 1.00 0.00 H new ATOM 0 HA THR A 55 26.592 17.586 13.924 1.00 0.00 H new ATOM 0 HB THR A 55 23.743 16.465 13.889 1.00 0.00 H new ATOM 0 HG1 THR A 55 24.809 14.420 13.548 1.00 0.00 H new ATOM 0 HG21 THR A 55 24.366 15.768 11.598 1.00 0.00 H new ATOM 0 HG22 THR A 55 24.529 17.528 11.800 1.00 0.00 H new ATOM 0 HG23 THR A 55 25.977 16.493 11.815 1.00 0.00 H new ATOM 885 N LEU A 56 25.280 19.588 13.101 1.00 0.00 N ATOM 886 CA LEU A 56 24.639 20.910 12.811 1.00 0.00 C ATOM 887 C LEU A 56 23.121 20.729 12.677 1.00 0.00 C ATOM 888 O LEU A 56 22.345 21.546 13.132 1.00 0.00 O ATOM 889 CB LEU A 56 25.212 21.466 11.495 1.00 0.00 C ATOM 890 CG LEU A 56 24.970 22.984 11.400 1.00 0.00 C ATOM 891 CD1 LEU A 56 25.984 23.754 12.268 1.00 0.00 C ATOM 892 CD2 LEU A 56 25.118 23.430 9.939 1.00 0.00 C ATOM 0 H LEU A 56 26.041 19.333 12.471 1.00 0.00 H new ATOM 0 HA LEU A 56 24.844 21.605 13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 56 26.281 21.258 11.440 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.746 20.964 10.647 1.00 0.00 H new ATOM 0 HG LEU A 56 23.964 23.200 11.761 1.00 0.00 H new ATOM 0 HD11 LEU A 56 25.795 24.824 12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.880 23.446 13.308 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.996 23.537 11.925 1.00 0.00 H new ATOM 0 HD21 LEU A 56 24.947 24.504 9.867 1.00 0.00 H new ATOM 0 HD22 LEU A 56 26.123 23.198 9.588 1.00 0.00 H new ATOM 0 HD23 LEU A 56 24.388 22.905 9.323 1.00 0.00 H new ATOM 904 N SER A 57 22.696 19.661 12.063 1.00 0.00 N ATOM 905 CA SER A 57 21.230 19.425 11.910 1.00 0.00 C ATOM 906 C SER A 57 20.622 19.128 13.285 1.00 0.00 C ATOM 907 O SER A 57 19.426 19.219 13.481 1.00 0.00 O ATOM 908 CB SER A 57 20.993 18.236 10.977 1.00 0.00 C ATOM 909 OG SER A 57 19.595 18.078 10.765 1.00 0.00 O ATOM 0 H SER A 57 23.297 18.942 11.661 1.00 0.00 H new ATOM 0 HA SER A 57 20.760 20.312 11.485 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.501 18.398 10.026 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.412 17.328 11.412 1.00 0.00 H new ATOM 0 HG SER A 57 19.439 17.318 10.166 1.00 0.00 H new ATOM 915 N ASP A 58 21.443 18.758 14.231 1.00 0.00 N ATOM 916 CA ASP A 58 20.927 18.435 15.593 1.00 0.00 C ATOM 917 C ASP A 58 20.286 19.677 16.215 1.00 0.00 C ATOM 918 O ASP A 58 19.532 19.583 17.163 1.00 0.00 O ATOM 919 CB ASP A 58 22.080 17.962 16.481 1.00 0.00 C ATOM 920 CG ASP A 58 21.515 17.333 17.756 1.00 0.00 C ATOM 921 OD1 ASP A 58 20.859 16.310 17.649 1.00 0.00 O ATOM 922 OD2 ASP A 58 21.748 17.887 18.818 1.00 0.00 O ATOM 0 H ASP A 58 22.453 18.665 14.119 1.00 0.00 H new ATOM 0 HA ASP A 58 20.180 17.645 15.512 1.00 0.00 H new ATOM 0 HB2 ASP A 58 22.692 17.237 15.945 1.00 0.00 H new ATOM 0 HB3 ASP A 58 22.728 18.802 16.733 1.00 0.00 H new ATOM 927 N TYR A 59 20.585 20.841 15.693 1.00 0.00 N ATOM 928 CA TYR A 59 20.004 22.103 16.254 1.00 0.00 C ATOM 929 C TYR A 59 18.951 22.670 15.293 1.00 0.00 C ATOM 930 O TYR A 59 18.491 23.780 15.465 1.00 0.00 O ATOM 931 CB TYR A 59 21.129 23.134 16.440 1.00 0.00 C ATOM 932 CG TYR A 59 21.835 22.898 17.757 1.00 0.00 C ATOM 933 CD1 TYR A 59 23.139 22.388 17.777 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.186 23.211 18.957 1.00 0.00 C ATOM 935 CE1 TYR A 59 23.790 22.192 19.003 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.836 23.010 20.179 1.00 0.00 C ATOM 937 CZ TYR A 59 23.139 22.501 20.202 1.00 0.00 C ATOM 938 OH TYR A 59 23.783 22.307 21.407 1.00 0.00 O ATOM 0 H TYR A 59 21.210 20.973 14.898 1.00 0.00 H new ATOM 0 HA TYR A 59 19.532 21.887 17.213 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.841 23.060 15.618 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.717 24.143 16.415 1.00 0.00 H new ATOM 0 HD1 TYR A 59 23.641 22.147 16.852 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.182 23.608 18.939 1.00 0.00 H new ATOM 0 HE1 TYR A 59 24.797 21.801 19.022 1.00 0.00 H new ATOM 0 HE2 TYR A 59 21.332 23.248 21.104 1.00 0.00 H new ATOM 0 HH TYR A 59 23.191 22.573 22.141 1.00 0.00 H new ATOM 948 N ASN A 60 18.568 21.936 14.286 1.00 0.00 N ATOM 949 CA ASN A 60 17.550 22.468 13.336 1.00 0.00 C ATOM 950 C ASN A 60 18.022 23.817 12.787 1.00 0.00 C ATOM 951 O ASN A 60 17.233 24.645 12.376 1.00 0.00 O ATOM 952 CB ASN A 60 16.215 22.647 14.062 1.00 0.00 C ATOM 953 CG ASN A 60 15.105 22.888 13.039 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.282 22.644 11.863 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.957 23.362 13.442 1.00 0.00 N ATOM 0 H ASN A 60 18.912 20.998 14.080 1.00 0.00 H new ATOM 0 HA ASN A 60 17.420 21.766 12.512 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.990 21.761 14.656 1.00 0.00 H new ATOM 0 HB3 ASN A 60 16.275 23.487 14.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.209 23.527 12.769 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.808 23.567 14.430 1.00 0.00 H new ATOM 962 N ILE A 61 19.308 24.039 12.775 1.00 0.00 N ATOM 963 CA ILE A 61 19.846 25.327 12.252 1.00 0.00 C ATOM 964 C ILE A 61 19.257 25.583 10.856 1.00 0.00 C ATOM 965 O ILE A 61 18.619 24.726 10.278 1.00 0.00 O ATOM 966 CB ILE A 61 21.389 25.225 12.210 1.00 0.00 C ATOM 967 CG1 ILE A 61 21.947 25.504 13.614 1.00 0.00 C ATOM 968 CG2 ILE A 61 21.993 26.233 11.225 1.00 0.00 C ATOM 969 CD1 ILE A 61 23.397 25.025 13.708 1.00 0.00 C ATOM 0 H ILE A 61 20.013 23.380 13.107 1.00 0.00 H new ATOM 0 HA ILE A 61 19.568 26.164 12.893 1.00 0.00 H new ATOM 0 HB ILE A 61 21.656 24.221 11.879 1.00 0.00 H new ATOM 0 HG12 ILE A 61 21.894 26.571 13.830 1.00 0.00 H new ATOM 0 HG13 ILE A 61 21.339 24.997 14.363 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.078 26.133 11.222 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.608 26.039 10.224 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.723 27.245 11.528 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.783 25.227 14.707 1.00 0.00 H new ATOM 0 HD12 ILE A 61 23.440 23.953 13.513 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.003 25.552 12.971 1.00 0.00 H new ATOM 981 N GLN A 62 19.463 26.762 10.317 1.00 0.00 N ATOM 982 CA GLN A 62 18.914 27.088 8.961 1.00 0.00 C ATOM 983 C GLN A 62 19.965 27.848 8.145 1.00 0.00 C ATOM 984 O GLN A 62 20.692 28.682 8.653 1.00 0.00 O ATOM 985 CB GLN A 62 17.659 27.951 9.113 1.00 0.00 C ATOM 986 CG GLN A 62 16.528 27.116 9.722 1.00 0.00 C ATOM 987 CD GLN A 62 16.080 26.049 8.722 1.00 0.00 C ATOM 988 OE1 GLN A 62 15.956 26.317 7.543 1.00 0.00 O ATOM 989 NE2 GLN A 62 15.827 24.840 9.145 1.00 0.00 N ATOM 0 H GLN A 62 19.990 27.515 10.760 1.00 0.00 H new ATOM 0 HA GLN A 62 18.659 26.163 8.443 1.00 0.00 H new ATOM 0 HB2 GLN A 62 17.872 28.811 9.748 1.00 0.00 H new ATOM 0 HB3 GLN A 62 17.354 28.340 8.142 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.867 26.644 10.644 1.00 0.00 H new ATOM 0 HG3 GLN A 62 15.688 27.759 9.983 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.931 24.614 10.134 1.00 0.00 H new ATOM 0 HE22 GLN A 62 15.526 24.122 8.486 1.00 0.00 H new ATOM 998 N LYS A 63 20.055 27.558 6.878 1.00 0.00 N ATOM 999 CA LYS A 63 21.060 28.247 6.023 1.00 0.00 C ATOM 1000 C LYS A 63 20.851 29.763 6.077 1.00 0.00 C ATOM 1001 O LYS A 63 19.771 30.242 6.359 1.00 0.00 O ATOM 1002 CB LYS A 63 20.919 27.759 4.578 1.00 0.00 C ATOM 1003 CG LYS A 63 19.523 28.097 4.044 1.00 0.00 C ATOM 1004 CD LYS A 63 19.369 27.524 2.633 1.00 0.00 C ATOM 1005 CE LYS A 63 17.998 27.904 2.069 1.00 0.00 C ATOM 1006 NZ LYS A 63 17.845 27.327 0.703 1.00 0.00 N ATOM 0 H LYS A 63 19.474 26.872 6.396 1.00 0.00 H new ATOM 0 HA LYS A 63 22.059 28.016 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 63 21.680 28.226 3.952 1.00 0.00 H new ATOM 0 HB3 LYS A 63 21.084 26.683 4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 63 18.759 27.683 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 63 19.379 29.177 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 63 20.158 27.908 1.986 1.00 0.00 H new ATOM 0 HD3 LYS A 63 19.475 26.439 2.657 1.00 0.00 H new ATOM 0 HE2 LYS A 63 17.209 27.533 2.723 1.00 0.00 H new ATOM 0 HE3 LYS A 63 17.897 28.989 2.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 16.913 27.585 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.591 27.702 0.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 17.924 26.291 0.753 1.00 0.00 H new ATOM 1020 N GLU A 64 21.891 30.509 5.807 1.00 0.00 N ATOM 1021 CA GLU A 64 21.808 32.001 5.820 1.00 0.00 C ATOM 1022 C GLU A 64 21.482 32.520 7.225 1.00 0.00 C ATOM 1023 O GLU A 64 21.306 33.706 7.421 1.00 0.00 O ATOM 1024 CB GLU A 64 20.750 32.485 4.821 1.00 0.00 C ATOM 1025 CG GLU A 64 21.035 31.871 3.449 1.00 0.00 C ATOM 1026 CD GLU A 64 19.982 32.346 2.446 1.00 0.00 C ATOM 1027 OE1 GLU A 64 19.846 33.548 2.285 1.00 0.00 O ATOM 1028 OE2 GLU A 64 19.332 31.500 1.856 1.00 0.00 O ATOM 0 H GLU A 64 22.813 30.140 5.573 1.00 0.00 H new ATOM 0 HA GLU A 64 22.780 32.396 5.526 1.00 0.00 H new ATOM 0 HB2 GLU A 64 19.754 32.200 5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 64 20.765 33.573 4.756 1.00 0.00 H new ATOM 0 HG2 GLU A 64 22.030 32.158 3.110 1.00 0.00 H new ATOM 0 HG3 GLU A 64 21.023 30.783 3.517 1.00 0.00 H new ATOM 1066 N LEU A 67 25.123 33.128 13.353 1.00 0.00 N ATOM 1067 CA LEU A 67 25.480 32.552 14.684 1.00 0.00 C ATOM 1068 C LEU A 67 26.143 33.641 15.532 1.00 0.00 C ATOM 1069 O LEU A 67 26.792 34.531 15.018 1.00 0.00 O ATOM 1070 CB LEU A 67 26.468 31.393 14.484 1.00 0.00 C ATOM 1071 CG LEU A 67 25.718 30.129 14.049 1.00 0.00 C ATOM 1072 CD1 LEU A 67 24.799 30.446 12.867 1.00 0.00 C ATOM 1073 CD2 LEU A 67 26.734 29.061 13.631 1.00 0.00 C ATOM 0 HA LEU A 67 24.584 32.186 15.185 1.00 0.00 H new ATOM 0 HB2 LEU A 67 27.209 31.663 13.731 1.00 0.00 H new ATOM 0 HB3 LEU A 67 27.010 31.203 15.411 1.00 0.00 H new ATOM 0 HG LEU A 67 25.115 29.763 14.880 1.00 0.00 H new ATOM 0 HD11 LEU A 67 24.270 29.542 12.565 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.077 31.208 13.162 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.395 30.814 12.032 1.00 0.00 H new ATOM 0 HD21 LEU A 67 26.207 28.159 13.320 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.334 29.435 12.801 1.00 0.00 H new ATOM 0 HD23 LEU A 67 27.385 28.829 14.474 1.00 0.00 H new ATOM 1085 N HIS A 68 26.001 33.567 16.829 1.00 0.00 N ATOM 1086 CA HIS A 68 26.641 34.587 17.715 1.00 0.00 C ATOM 1087 C HIS A 68 27.969 34.032 18.211 1.00 0.00 C ATOM 1088 O HIS A 68 28.034 32.916 18.691 1.00 0.00 O ATOM 1089 CB HIS A 68 25.744 34.864 18.920 1.00 0.00 C ATOM 1090 CG HIS A 68 24.313 34.978 18.469 1.00 0.00 C ATOM 1091 ND1 HIS A 68 23.783 36.166 17.980 1.00 0.00 N ATOM 1092 CD2 HIS A 68 23.288 34.064 18.423 1.00 0.00 C ATOM 1093 CE1 HIS A 68 22.494 35.937 17.666 1.00 0.00 C ATOM 1094 NE2 HIS A 68 22.146 34.675 17.917 1.00 0.00 N ATOM 0 H HIS A 68 25.469 32.844 17.315 1.00 0.00 H new ATOM 0 HA HIS A 68 26.794 35.511 17.158 1.00 0.00 H new ATOM 0 HB2 HIS A 68 25.842 34.062 19.651 1.00 0.00 H new ATOM 0 HB3 HIS A 68 26.055 35.785 19.413 1.00 0.00 H new ATOM 0 HD2 HIS A 68 23.358 33.032 18.732 1.00 0.00 H new ATOM 0 HE1 HIS A 68 21.826 36.683 17.261 1.00 0.00 H new ATOM 0 HE2 HIS A 68 21.232 34.247 17.769 1.00 0.00 H new ATOM 1103 N LEU A 69 29.031 34.790 18.100 1.00 0.00 N ATOM 1104 CA LEU A 69 30.362 34.291 18.568 1.00 0.00 C ATOM 1105 C LEU A 69 30.820 35.098 19.781 1.00 0.00 C ATOM 1106 O LEU A 69 30.837 36.313 19.760 1.00 0.00 O ATOM 1107 CB LEU A 69 31.384 34.436 17.430 1.00 0.00 C ATOM 1108 CG LEU A 69 32.762 33.848 17.853 1.00 0.00 C ATOM 1109 CD1 LEU A 69 33.395 33.091 16.679 1.00 0.00 C ATOM 1110 CD2 LEU A 69 33.716 34.975 18.282 1.00 0.00 C ATOM 0 H LEU A 69 29.035 35.731 17.706 1.00 0.00 H new ATOM 0 HA LEU A 69 30.279 33.242 18.852 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.021 33.922 16.540 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.497 35.488 17.167 1.00 0.00 H new ATOM 0 HG LEU A 69 32.599 33.168 18.689 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.358 32.684 16.986 1.00 0.00 H new ATOM 0 HD12 LEU A 69 32.737 32.277 16.374 1.00 0.00 H new ATOM 0 HD13 LEU A 69 33.540 33.774 15.842 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.675 34.548 18.575 1.00 0.00 H new ATOM 0 HD22 LEU A 69 33.864 35.663 17.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.286 35.514 19.126 1.00 0.00 H new ATOM 1122 N VAL A 70 31.197 34.421 20.840 1.00 0.00 N ATOM 1123 CA VAL A 70 31.666 35.122 22.078 1.00 0.00 C ATOM 1124 C VAL A 70 33.045 34.587 22.463 1.00 0.00 C ATOM 1125 O VAL A 70 33.366 33.442 22.213 1.00 0.00 O ATOM 1126 CB VAL A 70 30.687 34.849 23.219 1.00 0.00 C ATOM 1127 CG1 VAL A 70 31.128 35.621 24.465 1.00 0.00 C ATOM 1128 CG2 VAL A 70 29.288 35.306 22.805 1.00 0.00 C ATOM 0 H VAL A 70 31.200 33.403 20.900 1.00 0.00 H new ATOM 0 HA VAL A 70 31.721 36.195 21.893 1.00 0.00 H new ATOM 0 HB VAL A 70 30.672 33.782 23.440 1.00 0.00 H new ATOM 0 HG11 VAL A 70 30.430 35.427 25.279 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.127 35.298 24.758 1.00 0.00 H new ATOM 0 HG13 VAL A 70 31.142 36.689 24.246 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.587 35.113 23.617 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.304 36.374 22.586 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.974 34.758 21.917 1.00 0.00 H new ATOM 1138 N LEU A 71 33.864 35.402 23.066 1.00 0.00 N ATOM 1139 CA LEU A 71 35.223 34.932 23.457 1.00 0.00 C ATOM 1140 C LEU A 71 35.136 34.123 24.752 1.00 0.00 C ATOM 1141 O LEU A 71 35.112 32.910 24.732 1.00 0.00 O ATOM 1142 CB LEU A 71 36.145 36.143 23.651 1.00 0.00 C ATOM 1143 CG LEU A 71 36.609 36.659 22.283 1.00 0.00 C ATOM 1144 CD1 LEU A 71 35.390 37.009 21.425 1.00 0.00 C ATOM 1145 CD2 LEU A 71 37.479 37.906 22.472 1.00 0.00 C ATOM 0 H LEU A 71 33.653 36.371 23.305 1.00 0.00 H new ATOM 0 HA LEU A 71 35.630 34.296 22.671 1.00 0.00 H new ATOM 0 HB2 LEU A 71 35.619 36.931 24.189 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.007 35.864 24.257 1.00 0.00 H new ATOM 0 HG LEU A 71 37.191 35.884 21.784 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.722 37.375 20.454 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.775 36.120 21.287 1.00 0.00 H new ATOM 0 HD13 LEU A 71 34.804 37.781 21.923 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.808 38.271 21.499 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.900 38.681 22.974 1.00 0.00 H new ATOM 0 HD23 LEU A 71 38.349 37.654 23.078 1.00 0.00 H new