USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 416 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 Single : A 2 SER OG : rot 2:sc= 0.846 USER MOD Single : A 7 LYS NZ :NH3+ -154:sc= 0.427 (180deg=0.171) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -167:sc= 1.23 USER MOD Single : A 22 GLN : amide:sc= -0.0244 K(o=-0.024,f=-2.1!) USER MOD Single : A 24 SER OG : rot -170:sc= 0.635 USER MOD Single : A 25 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0569) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0219 (180deg=-0.273) USER MOD Single : A 33 GLN : amide:sc= -0.645 K(o=-0.64,f=-0.036) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.18 USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0.7 (180deg=0.679) USER MOD Single : A 62 SER OG : rot -71:sc= 1.11 USER MOD Single : A 67 GLN : amide:sc= 0.145 X(o=0.14,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.819 -0.532 -1.582 1.00 0.00 N ATOM 26 CA SER A 2 2.649 -1.792 -2.286 1.00 0.00 C ATOM 27 C SER A 2 2.127 -1.605 -3.715 1.00 0.00 C ATOM 28 O SER A 2 2.770 -2.096 -4.636 1.00 0.00 O ATOM 29 CB SER A 2 1.803 -2.757 -1.439 1.00 0.00 C ATOM 30 OG SER A 2 1.463 -2.150 -0.200 1.00 0.00 O ATOM 0 HA SER A 2 3.629 -2.250 -2.416 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.897 -3.029 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.357 -3.679 -1.261 1.00 0.00 H new ATOM 0 HG SER A 2 1.821 -1.238 -0.173 1.00 0.00 H new ATOM 36 N PRO A 3 1.011 -0.888 -3.944 1.00 0.00 N ATOM 37 CA PRO A 3 0.518 -0.621 -5.288 1.00 0.00 C ATOM 38 C PRO A 3 1.606 -0.080 -6.223 1.00 0.00 C ATOM 39 O PRO A 3 1.788 -0.595 -7.324 1.00 0.00 O ATOM 40 CB PRO A 3 -0.641 0.365 -5.113 1.00 0.00 C ATOM 41 CG PRO A 3 -1.167 0.018 -3.721 1.00 0.00 C ATOM 42 CD PRO A 3 0.116 -0.306 -2.955 1.00 0.00 C ATOM 0 HA PRO A 3 0.188 -1.541 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.305 1.400 -5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.405 0.233 -5.879 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.708 0.851 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.851 -0.831 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.548 0.591 -2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.077 -1.003 -2.139 1.00 0.00 H new ATOM 50 N GLU A 4 2.346 0.943 -5.783 1.00 0.00 N ATOM 51 CA GLU A 4 3.390 1.558 -6.591 1.00 0.00 C ATOM 52 C GLU A 4 4.566 0.598 -6.771 1.00 0.00 C ATOM 53 O GLU A 4 5.137 0.526 -7.856 1.00 0.00 O ATOM 54 CB GLU A 4 3.829 2.896 -5.978 1.00 0.00 C ATOM 55 CG GLU A 4 2.982 4.072 -6.491 1.00 0.00 C ATOM 56 CD GLU A 4 1.478 3.822 -6.407 1.00 0.00 C ATOM 57 OE1 GLU A 4 0.966 3.812 -5.268 1.00 0.00 O ATOM 58 OE2 GLU A 4 0.870 3.644 -7.486 1.00 0.00 O ATOM 0 H GLU A 4 2.235 1.362 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 4 2.989 1.770 -7.582 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.751 2.840 -4.892 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.878 3.075 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.227 4.964 -5.915 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.251 4.278 -7.527 1.00 0.00 H new ATOM 65 N GLU A 5 4.928 -0.149 -5.725 1.00 0.00 N ATOM 66 CA GLU A 5 5.963 -1.170 -5.830 1.00 0.00 C ATOM 67 C GLU A 5 5.591 -2.177 -6.925 1.00 0.00 C ATOM 68 O GLU A 5 6.378 -2.446 -7.831 1.00 0.00 O ATOM 69 CB GLU A 5 6.153 -1.840 -4.462 1.00 0.00 C ATOM 70 CG GLU A 5 7.343 -2.806 -4.450 1.00 0.00 C ATOM 71 CD GLU A 5 7.508 -3.452 -3.078 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.570 -4.175 -2.678 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.559 -3.200 -2.450 1.00 0.00 O ATOM 0 H GLU A 5 4.516 -0.063 -4.796 1.00 0.00 H new ATOM 0 HA GLU A 5 6.914 -0.720 -6.116 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.302 -1.073 -3.702 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.245 -2.381 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.196 -3.579 -5.205 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.254 -2.270 -4.716 1.00 0.00 H new ATOM 80 N LEU A 6 4.376 -2.723 -6.842 1.00 0.00 N ATOM 81 CA LEU A 6 3.863 -3.726 -7.764 1.00 0.00 C ATOM 82 C LEU A 6 3.750 -3.150 -9.176 1.00 0.00 C ATOM 83 O LEU A 6 4.066 -3.836 -10.144 1.00 0.00 O ATOM 84 CB LEU A 6 2.520 -4.270 -7.261 1.00 0.00 C ATOM 85 CG LEU A 6 2.648 -4.988 -5.903 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.280 -5.040 -5.219 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.170 -6.416 -6.080 1.00 0.00 C ATOM 0 H LEU A 6 3.709 -2.471 -6.113 1.00 0.00 H new ATOM 0 HA LEU A 6 4.563 -4.560 -7.808 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.810 -3.448 -7.169 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.113 -4.962 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 6 3.356 -4.430 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.372 -5.548 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.914 -4.026 -5.059 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.578 -5.583 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.250 -6.898 -5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.481 -6.980 -6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.152 -6.389 -6.553 1.00 0.00 H new ATOM 99 N LYS A 7 3.318 -1.892 -9.305 1.00 0.00 N ATOM 100 CA LYS A 7 3.320 -1.174 -10.570 1.00 0.00 C ATOM 101 C LYS A 7 4.738 -1.108 -11.144 1.00 0.00 C ATOM 102 O LYS A 7 4.958 -1.498 -12.288 1.00 0.00 O ATOM 103 CB LYS A 7 2.717 0.216 -10.343 1.00 0.00 C ATOM 104 CG LYS A 7 2.449 0.982 -11.644 1.00 0.00 C ATOM 105 CD LYS A 7 1.674 2.272 -11.342 1.00 0.00 C ATOM 106 CE LYS A 7 2.565 3.352 -10.714 1.00 0.00 C ATOM 107 NZ LYS A 7 1.770 4.515 -10.283 1.00 0.00 N ATOM 0 H LYS A 7 2.955 -1.345 -8.524 1.00 0.00 H new ATOM 0 HA LYS A 7 2.711 -1.698 -11.307 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.783 0.113 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.393 0.800 -9.719 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.392 1.221 -12.136 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.879 0.358 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.237 2.655 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.848 2.048 -10.667 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.098 2.936 -9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.318 3.670 -11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.370 5.364 -10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.975 4.654 -10.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.403 4.349 -9.324 1.00 0.00 H new ATOM 121 N GLY A 8 5.704 -0.636 -10.352 1.00 0.00 N ATOM 122 CA GLY A 8 7.098 -0.542 -10.757 1.00 0.00 C ATOM 123 C GLY A 8 7.611 -1.893 -11.247 1.00 0.00 C ATOM 124 O GLY A 8 8.096 -2.005 -12.372 1.00 0.00 O ATOM 0 H GLY A 8 5.532 -0.306 -9.402 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.202 0.201 -11.548 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.703 -0.201 -9.917 1.00 0.00 H new ATOM 128 N ILE A 9 7.478 -2.922 -10.404 1.00 0.00 N ATOM 129 CA ILE A 9 7.739 -4.319 -10.739 1.00 0.00 C ATOM 130 C ILE A 9 7.139 -4.635 -12.113 1.00 0.00 C ATOM 131 O ILE A 9 7.871 -4.914 -13.063 1.00 0.00 O ATOM 132 CB ILE A 9 7.184 -5.200 -9.595 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.198 -5.245 -8.440 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.755 -6.616 -9.998 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.613 -5.901 -7.186 1.00 0.00 C ATOM 0 H ILE A 9 7.175 -2.797 -9.438 1.00 0.00 H new ATOM 0 HA ILE A 9 8.806 -4.527 -10.822 1.00 0.00 H new ATOM 0 HB ILE A 9 6.258 -4.719 -9.280 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.084 -5.795 -8.757 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.521 -4.232 -8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.382 -7.146 -9.122 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.967 -6.558 -10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.610 -7.152 -10.410 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.364 -5.911 -6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.743 -5.336 -6.852 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.315 -6.924 -7.416 1.00 0.00 H new ATOM 147 N PHE A 10 5.811 -4.566 -12.212 1.00 0.00 N ATOM 148 CA PHE A 10 5.056 -4.854 -13.423 1.00 0.00 C ATOM 149 C PHE A 10 5.702 -4.178 -14.638 1.00 0.00 C ATOM 150 O PHE A 10 6.008 -4.846 -15.625 1.00 0.00 O ATOM 151 CB PHE A 10 3.586 -4.448 -13.214 1.00 0.00 C ATOM 152 CG PHE A 10 2.767 -4.380 -14.484 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.841 -3.229 -15.285 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.054 -5.499 -14.945 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.374 -3.263 -16.605 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.500 -5.496 -16.234 1.00 0.00 C ATOM 157 CZ PHE A 10 1.733 -4.412 -17.094 1.00 0.00 C ATOM 0 H PHE A 10 5.217 -4.300 -11.426 1.00 0.00 H new ATOM 0 HA PHE A 10 5.074 -5.924 -13.631 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.119 -5.160 -12.533 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.557 -3.474 -12.726 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.258 -2.317 -14.883 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.932 -6.362 -14.307 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.507 -2.405 -17.247 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.895 -6.327 -16.564 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.421 -4.461 -18.127 1.00 0.00 H new ATOM 167 N GLU A 11 5.934 -2.864 -14.557 1.00 0.00 N ATOM 168 CA GLU A 11 6.522 -2.097 -15.644 1.00 0.00 C ATOM 169 C GLU A 11 7.908 -2.636 -16.008 1.00 0.00 C ATOM 170 O GLU A 11 8.201 -2.843 -17.183 1.00 0.00 O ATOM 171 CB GLU A 11 6.605 -0.611 -15.268 1.00 0.00 C ATOM 172 CG GLU A 11 5.223 0.052 -15.215 1.00 0.00 C ATOM 173 CD GLU A 11 5.323 1.502 -14.754 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.582 1.697 -13.548 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.141 2.388 -15.616 1.00 0.00 O ATOM 0 H GLU A 11 5.716 -2.307 -13.731 1.00 0.00 H new ATOM 0 HA GLU A 11 5.879 -2.200 -16.518 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.092 -0.510 -14.298 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.229 -0.089 -15.993 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.760 0.012 -16.201 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.576 -0.504 -14.537 1.00 0.00 H new ATOM 182 N LYS A 12 8.774 -2.851 -15.014 1.00 0.00 N ATOM 183 CA LYS A 12 10.125 -3.342 -15.259 1.00 0.00 C ATOM 184 C LYS A 12 10.100 -4.704 -15.952 1.00 0.00 C ATOM 185 O LYS A 12 10.873 -4.931 -16.880 1.00 0.00 O ATOM 186 CB LYS A 12 10.926 -3.401 -13.952 1.00 0.00 C ATOM 187 CG LYS A 12 11.265 -1.995 -13.438 1.00 0.00 C ATOM 188 CD LYS A 12 12.148 -2.028 -12.182 1.00 0.00 C ATOM 189 CE LYS A 12 11.432 -2.664 -10.984 1.00 0.00 C ATOM 190 NZ LYS A 12 12.236 -2.546 -9.755 1.00 0.00 N ATOM 0 H LYS A 12 8.559 -2.691 -14.030 1.00 0.00 H new ATOM 0 HA LYS A 12 10.623 -2.641 -15.929 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.353 -3.938 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.846 -3.963 -14.113 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.776 -1.437 -14.223 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.342 -1.460 -13.216 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.060 -2.586 -12.396 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.449 -1.012 -11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.466 -2.181 -10.837 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.234 -3.716 -11.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.725 -2.985 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 13.148 -3.028 -9.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.403 -1.541 -9.545 1.00 0.00 H new ATOM 204 N TYR A 13 9.232 -5.616 -15.510 1.00 0.00 N ATOM 205 CA TYR A 13 9.055 -6.894 -16.185 1.00 0.00 C ATOM 206 C TYR A 13 8.551 -6.696 -17.612 1.00 0.00 C ATOM 207 O TYR A 13 9.207 -7.117 -18.562 1.00 0.00 O ATOM 208 CB TYR A 13 8.141 -7.797 -15.361 1.00 0.00 C ATOM 209 CG TYR A 13 8.887 -8.490 -14.243 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.659 -9.630 -14.522 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.811 -8.007 -12.930 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.341 -10.282 -13.484 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.564 -8.607 -11.908 1.00 0.00 C ATOM 214 CZ TYR A 13 10.330 -9.750 -12.185 1.00 0.00 C ATOM 215 OH TYR A 13 10.993 -10.396 -11.188 1.00 0.00 O ATOM 0 H TYR A 13 8.643 -5.489 -14.687 1.00 0.00 H new ATOM 0 HA TYR A 13 10.021 -7.392 -16.267 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.328 -7.204 -14.941 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.687 -8.544 -16.012 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.727 -10.003 -15.533 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.170 -7.168 -12.703 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.877 -11.198 -13.685 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.554 -8.190 -10.912 1.00 0.00 H new ATOM 0 HH TYR A 13 10.724 -10.024 -10.322 1.00 0.00 H new ATOM 225 N ALA A 14 7.398 -6.045 -17.767 1.00 0.00 N ATOM 226 CA ALA A 14 6.811 -5.721 -19.059 1.00 0.00 C ATOM 227 C ALA A 14 7.857 -5.203 -20.048 1.00 0.00 C ATOM 228 O ALA A 14 8.015 -5.749 -21.138 1.00 0.00 O ATOM 229 CB ALA A 14 5.704 -4.687 -18.858 1.00 0.00 C ATOM 0 H ALA A 14 6.837 -5.723 -16.978 1.00 0.00 H new ATOM 0 HA ALA A 14 6.394 -6.632 -19.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.259 -4.439 -19.821 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.938 -5.097 -18.199 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.124 -3.787 -18.410 1.00 0.00 H new ATOM 235 N ALA A 15 8.610 -4.183 -19.632 1.00 0.00 N ATOM 236 CA ALA A 15 9.659 -3.560 -20.424 1.00 0.00 C ATOM 237 C ALA A 15 10.659 -4.561 -21.017 1.00 0.00 C ATOM 238 O ALA A 15 11.225 -4.288 -22.074 1.00 0.00 O ATOM 239 CB ALA A 15 10.384 -2.509 -19.580 1.00 0.00 C ATOM 0 H ALA A 15 8.500 -3.760 -18.710 1.00 0.00 H new ATOM 0 HA ALA A 15 9.173 -3.086 -21.277 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.170 -2.043 -20.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.673 -1.748 -19.258 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.826 -2.986 -18.705 1.00 0.00 H new ATOM 329 N GLN A 22 2.709 -4.247 -20.707 1.00 0.00 N ATOM 330 CA GLN A 22 2.147 -5.579 -20.879 1.00 0.00 C ATOM 331 C GLN A 22 3.096 -6.726 -20.535 1.00 0.00 C ATOM 332 O GLN A 22 4.277 -6.675 -20.862 1.00 0.00 O ATOM 333 CB GLN A 22 1.525 -5.767 -22.271 1.00 0.00 C ATOM 334 CG GLN A 22 0.018 -5.986 -22.107 1.00 0.00 C ATOM 335 CD GLN A 22 -0.775 -5.441 -23.286 1.00 0.00 C ATOM 336 OE1 GLN A 22 -1.389 -6.183 -24.044 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.780 -4.118 -23.412 1.00 0.00 N ATOM 0 HA GLN A 22 1.352 -5.634 -20.136 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.715 -4.891 -22.892 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.979 -6.620 -22.776 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.183 -7.052 -21.998 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.320 -5.503 -21.190 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -0.253 -3.541 -22.756 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -1.311 -3.679 -24.165 1.00 0.00 H new ATOM 346 N LEU A 23 2.544 -7.761 -19.892 1.00 0.00 N ATOM 347 CA LEU A 23 3.220 -9.001 -19.534 1.00 0.00 C ATOM 348 C LEU A 23 2.642 -10.156 -20.353 1.00 0.00 C ATOM 349 O LEU A 23 1.457 -10.450 -20.210 1.00 0.00 O ATOM 350 CB LEU A 23 2.952 -9.319 -18.052 1.00 0.00 C ATOM 351 CG LEU A 23 3.402 -8.252 -17.052 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.906 -8.649 -15.663 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.911 -8.121 -16.980 1.00 0.00 C ATOM 0 H LEU A 23 1.568 -7.751 -19.596 1.00 0.00 H new ATOM 0 HA LEU A 23 4.287 -8.885 -19.725 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.882 -9.484 -17.923 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.451 -10.256 -17.805 1.00 0.00 H new ATOM 0 HG LEU A 23 2.990 -7.299 -17.384 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.218 -7.898 -14.937 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.818 -8.716 -15.671 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.327 -9.616 -15.389 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.175 -7.350 -16.256 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.345 -9.072 -16.672 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.300 -7.846 -17.961 1.00 0.00 H new ATOM 365 N SER A 24 3.432 -10.846 -21.176 1.00 0.00 N ATOM 366 CA SER A 24 2.987 -12.098 -21.788 1.00 0.00 C ATOM 367 C SER A 24 2.697 -13.133 -20.697 1.00 0.00 C ATOM 368 O SER A 24 3.086 -12.932 -19.554 1.00 0.00 O ATOM 369 CB SER A 24 4.091 -12.619 -22.711 1.00 0.00 C ATOM 370 OG SER A 24 5.230 -12.965 -21.939 1.00 0.00 O ATOM 0 H SER A 24 4.377 -10.562 -21.433 1.00 0.00 H new ATOM 0 HA SER A 24 2.077 -11.923 -22.362 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.736 -13.488 -23.265 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.354 -11.858 -23.446 1.00 0.00 H new ATOM 0 HG SER A 24 5.986 -13.147 -22.535 1.00 0.00 H new ATOM 376 N LYS A 25 2.074 -14.269 -21.022 1.00 0.00 N ATOM 377 CA LYS A 25 1.984 -15.385 -20.085 1.00 0.00 C ATOM 378 C LYS A 25 3.356 -15.775 -19.529 1.00 0.00 C ATOM 379 O LYS A 25 3.468 -16.112 -18.355 1.00 0.00 O ATOM 380 CB LYS A 25 1.254 -16.578 -20.710 1.00 0.00 C ATOM 381 CG LYS A 25 1.912 -17.118 -21.988 1.00 0.00 C ATOM 382 CD LYS A 25 1.081 -18.277 -22.552 1.00 0.00 C ATOM 383 CE LYS A 25 1.642 -18.783 -23.887 1.00 0.00 C ATOM 384 NZ LYS A 25 3.010 -19.316 -23.750 1.00 0.00 N ATOM 0 H LYS A 25 1.627 -14.437 -21.923 1.00 0.00 H new ATOM 0 HA LYS A 25 1.388 -15.052 -19.235 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.199 -17.381 -19.976 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.230 -16.284 -20.938 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.994 -16.323 -22.729 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.925 -17.457 -21.771 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.063 -19.095 -21.832 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.050 -17.951 -22.691 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.989 -19.561 -24.282 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.642 -17.968 -24.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 3.310 -19.738 -24.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.659 -18.544 -23.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.027 -20.042 -23.005 1.00 0.00 H new ATOM 398 N GLU A 26 4.402 -15.709 -20.357 1.00 0.00 N ATOM 399 CA GLU A 26 5.754 -16.012 -19.920 1.00 0.00 C ATOM 400 C GLU A 26 6.205 -14.980 -18.887 1.00 0.00 C ATOM 401 O GLU A 26 6.655 -15.346 -17.804 1.00 0.00 O ATOM 402 CB GLU A 26 6.699 -16.067 -21.126 1.00 0.00 C ATOM 403 CG GLU A 26 6.273 -17.169 -22.105 1.00 0.00 C ATOM 404 CD GLU A 26 7.219 -17.258 -23.297 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.389 -17.631 -23.066 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.752 -16.953 -24.415 1.00 0.00 O ATOM 0 H GLU A 26 4.330 -15.446 -21.340 1.00 0.00 H new ATOM 0 HA GLU A 26 5.776 -16.992 -19.444 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.702 -15.103 -21.635 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.718 -16.251 -20.786 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.249 -18.128 -21.587 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.261 -16.972 -22.457 1.00 0.00 H new ATOM 413 N GLU A 27 6.064 -13.691 -19.209 1.00 0.00 N ATOM 414 CA GLU A 27 6.449 -12.619 -18.299 1.00 0.00 C ATOM 415 C GLU A 27 5.628 -12.704 -17.001 1.00 0.00 C ATOM 416 O GLU A 27 6.169 -12.545 -15.908 1.00 0.00 O ATOM 417 CB GLU A 27 6.311 -11.263 -19.011 1.00 0.00 C ATOM 418 CG GLU A 27 7.293 -10.199 -18.487 1.00 0.00 C ATOM 419 CD GLU A 27 8.746 -10.489 -18.862 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.963 -11.014 -19.976 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.617 -10.186 -18.020 1.00 0.00 O ATOM 0 H GLU A 27 5.684 -13.368 -20.099 1.00 0.00 H new ATOM 0 HA GLU A 27 7.495 -12.727 -18.012 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.474 -11.403 -20.080 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.291 -10.898 -18.889 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.009 -9.224 -18.884 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.209 -10.138 -17.402 1.00 0.00 H new ATOM 428 N LEU A 28 4.325 -12.978 -17.122 1.00 0.00 N ATOM 429 CA LEU A 28 3.400 -13.119 -16.012 1.00 0.00 C ATOM 430 C LEU A 28 3.840 -14.282 -15.122 1.00 0.00 C ATOM 431 O LEU A 28 3.947 -14.140 -13.906 1.00 0.00 O ATOM 432 CB LEU A 28 1.970 -13.251 -16.572 1.00 0.00 C ATOM 433 CG LEU A 28 0.811 -13.251 -15.558 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.543 -14.647 -14.984 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.993 -12.207 -14.455 1.00 0.00 C ATOM 0 H LEU A 28 3.878 -13.111 -18.029 1.00 0.00 H new ATOM 0 HA LEU A 28 3.403 -12.238 -15.370 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.805 -12.432 -17.272 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.916 -14.177 -17.145 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.079 -12.960 -16.116 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.283 -14.596 -14.274 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.284 -15.330 -15.793 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.437 -15.009 -14.476 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.147 -12.251 -13.769 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.914 -12.411 -13.909 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.047 -11.213 -14.900 1.00 0.00 H new ATOM 447 N LYS A 29 4.133 -15.441 -15.712 1.00 0.00 N ATOM 448 CA LYS A 29 4.657 -16.555 -14.942 1.00 0.00 C ATOM 449 C LYS A 29 5.959 -16.152 -14.240 1.00 0.00 C ATOM 450 O LYS A 29 6.133 -16.379 -13.041 1.00 0.00 O ATOM 451 CB LYS A 29 4.874 -17.752 -15.877 1.00 0.00 C ATOM 452 CG LYS A 29 5.034 -19.037 -15.067 1.00 0.00 C ATOM 453 CD LYS A 29 5.566 -20.182 -15.939 1.00 0.00 C ATOM 454 CE LYS A 29 5.449 -21.534 -15.224 1.00 0.00 C ATOM 455 NZ LYS A 29 4.041 -21.938 -15.040 1.00 0.00 N ATOM 0 H LYS A 29 4.016 -15.626 -16.708 1.00 0.00 H new ATOM 0 HA LYS A 29 3.943 -16.838 -14.169 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.029 -17.847 -16.559 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.761 -17.588 -16.489 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.717 -18.863 -14.235 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.073 -19.320 -14.637 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.010 -20.216 -16.876 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.609 -19.993 -16.193 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.973 -22.296 -15.800 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.940 -21.475 -14.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.995 -22.958 -14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.630 -21.412 -14.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.504 -21.729 -15.906 1.00 0.00 H new ATOM 469 N LEU A 30 6.899 -15.593 -15.002 1.00 0.00 N ATOM 470 CA LEU A 30 8.196 -15.144 -14.511 1.00 0.00 C ATOM 471 C LEU A 30 8.040 -14.279 -13.259 1.00 0.00 C ATOM 472 O LEU A 30 8.546 -14.649 -12.196 1.00 0.00 O ATOM 473 CB LEU A 30 8.975 -14.430 -15.626 1.00 0.00 C ATOM 474 CG LEU A 30 10.360 -13.928 -15.184 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.293 -15.076 -14.779 1.00 0.00 C ATOM 476 CD2 LEU A 30 10.998 -13.136 -16.330 1.00 0.00 C ATOM 0 H LEU A 30 6.774 -15.437 -16.002 1.00 0.00 H new ATOM 0 HA LEU A 30 8.781 -16.015 -14.216 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.096 -15.112 -16.467 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.388 -13.584 -15.984 1.00 0.00 H new ATOM 0 HG LEU A 30 10.219 -13.294 -14.308 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.258 -14.671 -14.475 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.853 -15.627 -13.948 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.432 -15.748 -15.626 1.00 0.00 H new ATOM 0 HD21 LEU A 30 11.980 -12.778 -16.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.104 -13.780 -17.203 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.364 -12.286 -16.582 1.00 0.00 H new ATOM 488 N LEU A 31 7.358 -13.131 -13.355 1.00 0.00 N ATOM 489 CA LEU A 31 7.295 -12.246 -12.199 1.00 0.00 C ATOM 490 C LEU A 31 6.480 -12.843 -11.056 1.00 0.00 C ATOM 491 O LEU A 31 6.829 -12.616 -9.903 1.00 0.00 O ATOM 492 CB LEU A 31 6.957 -10.786 -12.543 1.00 0.00 C ATOM 493 CG LEU A 31 5.495 -10.338 -12.512 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.409 -8.829 -12.752 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.730 -11.016 -13.628 1.00 0.00 C ATOM 0 H LEU A 31 6.863 -12.807 -14.186 1.00 0.00 H new ATOM 0 HA LEU A 31 8.313 -12.176 -11.816 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.512 -10.148 -11.854 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.342 -10.586 -13.543 1.00 0.00 H new ATOM 0 HG LEU A 31 5.076 -10.598 -11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.365 -8.516 -12.729 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.963 -8.305 -11.973 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.838 -8.590 -13.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.689 -10.695 -13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.170 -10.745 -14.588 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.779 -12.097 -13.498 1.00 0.00 H new ATOM 507 N LEU A 32 5.435 -13.637 -11.324 1.00 0.00 N ATOM 508 CA LEU A 32 4.711 -14.277 -10.229 1.00 0.00 C ATOM 509 C LEU A 32 5.624 -15.241 -9.478 1.00 0.00 C ATOM 510 O LEU A 32 5.693 -15.167 -8.255 1.00 0.00 O ATOM 511 CB LEU A 32 3.388 -14.896 -10.708 1.00 0.00 C ATOM 512 CG LEU A 32 2.227 -13.898 -10.592 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.608 -12.500 -11.091 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.037 -14.410 -11.395 1.00 0.00 C ATOM 0 H LEU A 32 5.084 -13.844 -12.259 1.00 0.00 H new ATOM 0 HA LEU A 32 4.414 -13.518 -9.505 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.490 -15.219 -11.744 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.166 -15.785 -10.118 1.00 0.00 H new ATOM 0 HG LEU A 32 1.972 -13.814 -9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.753 -11.831 -10.988 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.441 -12.118 -10.501 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.901 -12.555 -12.139 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.212 -13.703 -11.314 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.323 -14.516 -12.442 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.724 -15.379 -11.005 1.00 0.00 H new ATOM 526 N GLN A 33 6.375 -16.090 -10.185 1.00 0.00 N ATOM 527 CA GLN A 33 7.369 -16.935 -9.532 1.00 0.00 C ATOM 528 C GLN A 33 8.362 -16.094 -8.730 1.00 0.00 C ATOM 529 O GLN A 33 8.611 -16.375 -7.560 1.00 0.00 O ATOM 530 CB GLN A 33 8.135 -17.764 -10.569 1.00 0.00 C ATOM 531 CG GLN A 33 7.280 -18.849 -11.233 1.00 0.00 C ATOM 532 CD GLN A 33 7.932 -19.342 -12.516 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.292 -20.506 -12.647 1.00 0.00 O ATOM 534 NE2 GLN A 33 8.077 -18.441 -13.481 1.00 0.00 N ATOM 0 H GLN A 33 6.313 -16.207 -11.196 1.00 0.00 H new ATOM 0 HA GLN A 33 6.838 -17.602 -8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.526 -17.098 -11.339 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.993 -18.232 -10.087 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.145 -19.683 -10.545 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.288 -18.453 -11.453 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.765 -17.481 -13.334 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.501 -18.709 -14.369 1.00 0.00 H new ATOM 543 N THR A 34 8.957 -15.092 -9.379 1.00 0.00 N ATOM 544 CA THR A 34 10.071 -14.358 -8.796 1.00 0.00 C ATOM 545 C THR A 34 9.621 -13.558 -7.571 1.00 0.00 C ATOM 546 O THR A 34 10.279 -13.585 -6.534 1.00 0.00 O ATOM 547 CB THR A 34 10.729 -13.471 -9.865 1.00 0.00 C ATOM 548 OG1 THR A 34 11.018 -14.240 -11.017 1.00 0.00 O ATOM 549 CG2 THR A 34 12.044 -12.874 -9.356 1.00 0.00 C ATOM 0 H THR A 34 8.683 -14.773 -10.308 1.00 0.00 H new ATOM 0 HA THR A 34 10.821 -15.066 -8.444 1.00 0.00 H new ATOM 0 HB THR A 34 10.031 -12.668 -10.100 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.193 -14.393 -11.524 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.486 -12.252 -10.134 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.850 -12.267 -8.472 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.733 -13.678 -9.099 1.00 0.00 H new ATOM 557 N GLU A 35 8.517 -12.821 -7.702 1.00 0.00 N ATOM 558 CA GLU A 35 8.046 -11.895 -6.690 1.00 0.00 C ATOM 559 C GLU A 35 7.144 -12.581 -5.661 1.00 0.00 C ATOM 560 O GLU A 35 7.236 -12.258 -4.479 1.00 0.00 O ATOM 561 CB GLU A 35 7.306 -10.727 -7.358 1.00 0.00 C ATOM 562 CG GLU A 35 8.126 -10.018 -8.450 1.00 0.00 C ATOM 563 CD GLU A 35 9.437 -9.428 -7.938 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.412 -8.831 -6.841 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.439 -9.569 -8.673 1.00 0.00 O ATOM 0 H GLU A 35 7.921 -12.857 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 35 8.916 -11.515 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.379 -11.098 -7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.029 -10.000 -6.595 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.343 -10.727 -9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.524 -9.221 -8.886 1.00 0.00 H new ATOM 572 N PHE A 36 6.240 -13.472 -6.091 1.00 0.00 N ATOM 573 CA PHE A 36 5.189 -14.002 -5.225 1.00 0.00 C ATOM 574 C PHE A 36 5.384 -15.503 -4.995 1.00 0.00 C ATOM 575 O PHE A 36 4.755 -16.315 -5.678 1.00 0.00 O ATOM 576 CB PHE A 36 3.812 -13.675 -5.820 1.00 0.00 C ATOM 577 CG PHE A 36 3.590 -12.226 -6.232 1.00 0.00 C ATOM 578 CD1 PHE A 36 4.213 -11.158 -5.556 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.802 -11.951 -7.362 1.00 0.00 C ATOM 580 CE1 PHE A 36 4.214 -9.872 -6.124 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.803 -10.670 -7.935 1.00 0.00 C ATOM 582 CZ PHE A 36 3.558 -9.644 -7.347 1.00 0.00 C ATOM 0 H PHE A 36 6.220 -13.840 -7.042 1.00 0.00 H new ATOM 0 HA PHE A 36 5.248 -13.525 -4.247 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.656 -14.308 -6.693 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.049 -13.945 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.690 -11.327 -4.602 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.191 -12.731 -7.793 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.718 -9.060 -5.622 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.224 -10.475 -8.826 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.635 -8.682 -7.832 1.00 0.00 H new ATOM 726 N LEU A 46 -1.318 -21.666 -14.447 1.00 0.00 N ATOM 727 CA LEU A 46 -1.012 -20.453 -15.200 1.00 0.00 C ATOM 728 C LEU A 46 -1.993 -20.293 -16.352 1.00 0.00 C ATOM 729 O LEU A 46 -2.434 -19.185 -16.623 1.00 0.00 O ATOM 730 CB LEU A 46 0.415 -20.493 -15.767 1.00 0.00 C ATOM 731 CG LEU A 46 0.776 -19.234 -16.590 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.131 -18.064 -15.667 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.957 -19.564 -17.504 1.00 0.00 C ATOM 0 HA LEU A 46 -1.096 -19.609 -14.515 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.123 -20.598 -14.945 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.525 -21.376 -16.397 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.084 -18.937 -17.190 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.381 -17.190 -16.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.279 -17.833 -15.028 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.986 -18.336 -15.048 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.221 -18.683 -18.090 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.812 -19.867 -16.899 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.681 -20.377 -18.175 1.00 0.00 H new ATOM 745 N ASP A 47 -2.326 -21.382 -17.042 1.00 0.00 N ATOM 746 CA ASP A 47 -3.278 -21.328 -18.137 1.00 0.00 C ATOM 747 C ASP A 47 -4.590 -20.676 -17.690 1.00 0.00 C ATOM 748 O ASP A 47 -5.044 -19.690 -18.268 1.00 0.00 O ATOM 749 CB ASP A 47 -3.504 -22.758 -18.635 1.00 0.00 C ATOM 750 CG ASP A 47 -4.604 -22.810 -19.690 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.291 -22.471 -20.851 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.735 -23.179 -19.310 1.00 0.00 O ATOM 0 H ASP A 47 -1.947 -22.311 -16.858 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.886 -20.714 -18.948 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.577 -23.150 -19.053 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.772 -23.400 -17.796 1.00 0.00 H new ATOM 757 N GLU A 48 -5.184 -21.232 -16.636 1.00 0.00 N ATOM 758 CA GLU A 48 -6.484 -20.819 -16.139 1.00 0.00 C ATOM 759 C GLU A 48 -6.381 -19.413 -15.553 1.00 0.00 C ATOM 760 O GLU A 48 -7.177 -18.531 -15.872 1.00 0.00 O ATOM 761 CB GLU A 48 -6.961 -21.821 -15.084 1.00 0.00 C ATOM 762 CG GLU A 48 -7.117 -23.233 -15.668 1.00 0.00 C ATOM 763 CD GLU A 48 -7.456 -24.242 -14.579 1.00 0.00 C ATOM 764 OE1 GLU A 48 -6.494 -24.792 -14.000 1.00 0.00 O ATOM 765 OE2 GLU A 48 -8.667 -24.435 -14.335 1.00 0.00 O ATOM 0 H GLU A 48 -4.766 -21.992 -16.100 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.209 -20.799 -16.952 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.250 -21.846 -14.258 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.915 -21.490 -14.673 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.902 -23.232 -16.425 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.194 -23.528 -16.167 1.00 0.00 H new ATOM 772 N LEU A 49 -5.377 -19.211 -14.696 1.00 0.00 N ATOM 773 CA LEU A 49 -5.088 -17.930 -14.084 1.00 0.00 C ATOM 774 C LEU A 49 -4.984 -16.872 -15.175 1.00 0.00 C ATOM 775 O LEU A 49 -5.757 -15.924 -15.169 1.00 0.00 O ATOM 776 CB LEU A 49 -3.806 -18.027 -13.246 1.00 0.00 C ATOM 777 CG LEU A 49 -3.386 -16.692 -12.605 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.465 -16.144 -11.662 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.084 -16.898 -11.824 1.00 0.00 C ATOM 0 H LEU A 49 -4.737 -19.951 -14.409 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.892 -17.641 -13.407 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.951 -18.768 -12.460 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.995 -18.388 -13.879 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.243 -15.965 -13.404 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.127 -15.201 -11.232 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.386 -15.979 -12.220 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.649 -16.862 -10.863 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.781 -15.956 -11.367 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.241 -17.645 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.303 -17.240 -12.503 1.00 0.00 H new ATOM 791 N PHE A 50 -4.064 -17.041 -16.126 1.00 0.00 N ATOM 792 CA PHE A 50 -3.853 -16.088 -17.202 1.00 0.00 C ATOM 793 C PHE A 50 -5.143 -15.862 -17.987 1.00 0.00 C ATOM 794 O PHE A 50 -5.483 -14.719 -18.280 1.00 0.00 O ATOM 795 CB PHE A 50 -2.714 -16.552 -18.112 1.00 0.00 C ATOM 796 CG PHE A 50 -2.188 -15.458 -19.017 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.221 -14.561 -18.529 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.670 -15.315 -20.332 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.671 -13.586 -19.371 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.107 -14.346 -21.182 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.062 -13.531 -20.714 1.00 0.00 C ATOM 0 H PHE A 50 -3.444 -17.850 -16.166 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.563 -15.131 -16.768 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.897 -16.929 -17.497 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.063 -17.384 -18.724 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.901 -14.624 -17.500 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.470 -15.948 -20.687 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.051 -12.881 -18.986 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.476 -14.229 -22.190 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.558 -12.859 -21.393 1.00 0.00 H new ATOM 811 N GLU A 51 -5.883 -16.932 -18.303 1.00 0.00 N ATOM 812 CA GLU A 51 -7.164 -16.806 -18.986 1.00 0.00 C ATOM 813 C GLU A 51 -8.123 -15.901 -18.203 1.00 0.00 C ATOM 814 O GLU A 51 -8.806 -15.062 -18.784 1.00 0.00 O ATOM 815 CB GLU A 51 -7.753 -18.202 -19.238 1.00 0.00 C ATOM 816 CG GLU A 51 -9.011 -18.153 -20.114 1.00 0.00 C ATOM 817 CD GLU A 51 -9.536 -19.558 -20.393 1.00 0.00 C ATOM 818 OE1 GLU A 51 -10.120 -20.141 -19.455 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.337 -20.024 -21.536 1.00 0.00 O ATOM 0 H GLU A 51 -5.611 -17.893 -18.094 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.010 -16.326 -19.952 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.002 -18.829 -19.719 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.995 -18.669 -18.284 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.782 -17.564 -19.617 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.784 -17.652 -21.055 1.00 0.00 H new ATOM 826 N GLU A 52 -8.167 -16.068 -16.880 1.00 0.00 N ATOM 827 CA GLU A 52 -9.032 -15.287 -16.006 1.00 0.00 C ATOM 828 C GLU A 52 -8.521 -13.844 -15.908 1.00 0.00 C ATOM 829 O GLU A 52 -9.297 -12.896 -15.831 1.00 0.00 O ATOM 830 CB GLU A 52 -9.086 -15.970 -14.630 1.00 0.00 C ATOM 831 CG GLU A 52 -10.137 -15.346 -13.704 1.00 0.00 C ATOM 832 CD GLU A 52 -10.153 -16.044 -12.349 1.00 0.00 C ATOM 833 OE1 GLU A 52 -9.249 -15.736 -11.542 1.00 0.00 O ATOM 834 OE2 GLU A 52 -11.062 -16.878 -12.146 1.00 0.00 O ATOM 0 H GLU A 52 -7.598 -16.755 -16.385 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.042 -15.242 -16.413 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.307 -17.029 -14.762 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.106 -15.905 -14.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.924 -14.286 -13.569 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.122 -15.417 -14.166 1.00 0.00 H new ATOM 841 N LEU A 53 -7.199 -13.697 -15.865 1.00 0.00 N ATOM 842 CA LEU A 53 -6.487 -12.449 -15.660 1.00 0.00 C ATOM 843 C LEU A 53 -6.655 -11.536 -16.870 1.00 0.00 C ATOM 844 O LEU A 53 -6.984 -10.358 -16.731 1.00 0.00 O ATOM 845 CB LEU A 53 -5.005 -12.789 -15.445 1.00 0.00 C ATOM 846 CG LEU A 53 -4.227 -11.782 -14.603 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.798 -12.328 -14.464 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.250 -10.355 -15.146 1.00 0.00 C ATOM 0 H LEU A 53 -6.567 -14.490 -15.979 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.885 -11.922 -14.793 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.938 -13.767 -14.968 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.523 -12.875 -16.419 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.710 -11.686 -13.630 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.201 -11.638 -13.867 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.826 -13.301 -13.974 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.351 -12.432 -15.452 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.673 -9.706 -14.487 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.814 -10.339 -16.145 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.280 -10.001 -15.194 1.00 0.00 H new ATOM 860 N ASP A 54 -6.380 -12.075 -18.060 1.00 0.00 N ATOM 861 CA ASP A 54 -6.277 -11.314 -19.292 1.00 0.00 C ATOM 862 C ASP A 54 -7.684 -11.001 -19.816 1.00 0.00 C ATOM 863 O ASP A 54 -8.104 -11.502 -20.861 1.00 0.00 O ATOM 864 CB ASP A 54 -5.440 -12.107 -20.308 1.00 0.00 C ATOM 865 CG ASP A 54 -5.211 -11.426 -21.664 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.727 -10.307 -21.878 1.00 0.00 O ATOM 867 OD2 ASP A 54 -4.536 -12.062 -22.506 1.00 0.00 O ATOM 0 H ASP A 54 -6.221 -13.074 -18.189 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.773 -10.364 -19.117 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.469 -12.320 -19.862 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.928 -13.066 -20.482 1.00 0.00 H new ATOM 872 N LYS A 55 -8.410 -10.171 -19.069 1.00 0.00 N ATOM 873 CA LYS A 55 -9.765 -9.709 -19.345 1.00 0.00 C ATOM 874 C LYS A 55 -9.759 -8.753 -20.543 1.00 0.00 C ATOM 875 O LYS A 55 -10.014 -7.558 -20.412 1.00 0.00 O ATOM 876 CB LYS A 55 -10.331 -9.042 -18.085 1.00 0.00 C ATOM 877 CG LYS A 55 -10.482 -10.062 -16.947 1.00 0.00 C ATOM 878 CD LYS A 55 -10.960 -9.417 -15.640 1.00 0.00 C ATOM 879 CE LYS A 55 -9.962 -8.410 -15.052 1.00 0.00 C ATOM 880 NZ LYS A 55 -8.640 -9.014 -14.797 1.00 0.00 N ATOM 0 H LYS A 55 -8.043 -9.780 -18.201 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.406 -10.551 -19.605 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.672 -8.233 -17.769 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.299 -8.595 -18.309 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.190 -10.835 -17.247 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.525 -10.555 -16.776 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.910 -8.913 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -11.149 -10.200 -14.906 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.849 -7.571 -15.739 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.361 -8.008 -14.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -8.016 -8.310 -14.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -8.748 -9.830 -14.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.223 -9.329 -15.696 1.00 0.00 H new ATOM 923 N GLY A 59 -3.442 -11.821 -25.095 1.00 0.00 N ATOM 924 CA GLY A 59 -2.314 -12.738 -25.032 1.00 0.00 C ATOM 925 C GLY A 59 -1.216 -12.161 -24.134 1.00 0.00 C ATOM 926 O GLY A 59 -0.180 -12.795 -23.936 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.641 -13.703 -24.645 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.921 -12.913 -26.034 1.00 0.00 H new ATOM 930 N GLU A 60 -1.461 -10.974 -23.566 1.00 0.00 N ATOM 931 CA GLU A 60 -0.603 -10.269 -22.639 1.00 0.00 C ATOM 932 C GLU A 60 -1.515 -9.588 -21.613 1.00 0.00 C ATOM 933 O GLU A 60 -2.715 -9.468 -21.844 1.00 0.00 O ATOM 934 CB GLU A 60 0.293 -9.265 -23.374 1.00 0.00 C ATOM 935 CG GLU A 60 1.107 -9.882 -24.519 1.00 0.00 C ATOM 936 CD GLU A 60 2.292 -8.996 -24.886 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.035 -7.868 -25.358 1.00 0.00 O ATOM 938 OE2 GLU A 60 3.433 -9.457 -24.663 1.00 0.00 O ATOM 0 H GLU A 60 -2.319 -10.459 -23.761 1.00 0.00 H new ATOM 0 HA GLU A 60 0.075 -10.956 -22.133 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -0.328 -8.463 -23.773 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.978 -8.811 -22.658 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.464 -10.869 -24.226 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.468 -10.020 -25.391 1.00 0.00 H new ATOM 945 N VAL A 61 -0.950 -9.175 -20.481 1.00 0.00 N ATOM 946 CA VAL A 61 -1.648 -8.634 -19.325 1.00 0.00 C ATOM 947 C VAL A 61 -1.144 -7.215 -19.084 1.00 0.00 C ATOM 948 O VAL A 61 0.037 -7.037 -18.794 1.00 0.00 O ATOM 949 CB VAL A 61 -1.363 -9.563 -18.132 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.693 -8.925 -16.778 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.181 -10.845 -18.321 1.00 0.00 C ATOM 0 H VAL A 61 0.060 -9.212 -20.342 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.726 -8.585 -19.475 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.294 -9.773 -18.115 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.470 -9.632 -15.979 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.094 -8.025 -16.644 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.751 -8.665 -16.747 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.996 -11.521 -17.486 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.242 -10.597 -18.359 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.888 -11.330 -19.252 1.00 0.00 H new ATOM 961 N SER A 62 -2.017 -6.214 -19.222 1.00 0.00 N ATOM 962 CA SER A 62 -1.707 -4.813 -18.961 1.00 0.00 C ATOM 963 C SER A 62 -1.785 -4.516 -17.465 1.00 0.00 C ATOM 964 O SER A 62 -2.394 -5.277 -16.714 1.00 0.00 O ATOM 965 CB SER A 62 -2.679 -3.925 -19.745 1.00 0.00 C ATOM 966 OG SER A 62 -4.003 -4.129 -19.286 1.00 0.00 O ATOM 0 H SER A 62 -2.980 -6.362 -19.525 1.00 0.00 H new ATOM 0 HA SER A 62 -0.689 -4.601 -19.289 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.402 -2.877 -19.627 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.615 -4.154 -20.809 1.00 0.00 H new ATOM 0 HG SER A 62 -4.318 -5.010 -19.577 1.00 0.00 H new ATOM 972 N PHE A 63 -1.215 -3.390 -17.031 1.00 0.00 N ATOM 973 CA PHE A 63 -1.281 -2.955 -15.640 1.00 0.00 C ATOM 974 C PHE A 63 -2.733 -2.867 -15.160 1.00 0.00 C ATOM 975 O PHE A 63 -3.033 -3.114 -13.992 1.00 0.00 O ATOM 976 CB PHE A 63 -0.568 -1.611 -15.443 1.00 0.00 C ATOM 977 CG PHE A 63 -0.494 -1.191 -13.985 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.106 -2.048 -13.042 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.152 -0.027 -13.547 1.00 0.00 C ATOM 980 CE1 PHE A 63 -0.037 -1.795 -11.667 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.257 0.248 -12.172 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.724 -0.649 -11.231 1.00 0.00 C ATOM 0 H PHE A 63 -0.695 -2.756 -17.637 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.765 -3.703 -15.038 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.442 -1.678 -15.849 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.090 -0.841 -16.012 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.677 -2.901 -13.376 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.577 0.656 -14.268 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.381 -2.481 -10.945 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.748 1.150 -11.839 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.842 -0.458 -10.175 1.00 0.00 H new ATOM 992 N GLU A 64 -3.640 -2.512 -16.071 1.00 0.00 N ATOM 993 CA GLU A 64 -5.065 -2.424 -15.807 1.00 0.00 C ATOM 994 C GLU A 64 -5.663 -3.777 -15.429 1.00 0.00 C ATOM 995 O GLU A 64 -6.571 -3.843 -14.605 1.00 0.00 O ATOM 996 CB GLU A 64 -5.793 -1.810 -17.013 1.00 0.00 C ATOM 997 CG GLU A 64 -5.203 -0.464 -17.468 1.00 0.00 C ATOM 998 CD GLU A 64 -4.112 -0.616 -18.530 1.00 0.00 C ATOM 999 OE1 GLU A 64 -2.938 -0.794 -18.135 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -4.467 -0.555 -19.727 1.00 0.00 O ATOM 0 H GLU A 64 -3.393 -2.274 -17.031 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.204 -1.769 -14.947 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.757 -2.513 -17.845 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.844 -1.670 -16.760 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.003 0.161 -17.864 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.790 0.056 -16.603 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.149 -4.857 -16.013 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.563 -6.205 -15.655 1.00 0.00 C ATOM 1009 C GLU A 65 -4.784 -6.639 -14.406 1.00 0.00 C ATOM 1010 O GLU A 65 -5.340 -7.208 -13.466 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.327 -7.109 -16.869 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.256 -6.706 -18.027 1.00 0.00 C ATOM 1013 CD GLU A 65 -5.764 -7.239 -19.365 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.705 -6.738 -19.808 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.447 -8.123 -19.919 1.00 0.00 O ATOM 0 H GLU A 65 -4.438 -4.820 -16.743 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.622 -6.265 -15.404 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.287 -7.037 -17.187 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.506 -8.149 -16.596 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.260 -7.083 -17.834 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.327 -5.619 -18.074 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.488 -6.326 -14.376 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.591 -6.697 -13.294 1.00 0.00 C ATOM 1024 C PHE A 66 -3.087 -6.158 -11.954 1.00 0.00 C ATOM 1025 O PHE A 66 -3.097 -6.883 -10.968 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.169 -6.217 -13.587 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.119 -6.841 -12.690 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.410 -8.110 -13.001 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.379 -6.129 -11.584 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.430 -8.662 -12.206 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.410 -6.676 -10.802 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.936 -7.941 -11.111 1.00 0.00 C ATOM 0 H PHE A 66 -3.029 -5.798 -15.119 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.577 -7.785 -13.225 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.926 -6.441 -14.626 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.131 -5.133 -13.477 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.032 -8.659 -13.851 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.031 -5.161 -11.336 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.825 -9.640 -12.437 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.799 -6.122 -9.961 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.728 -8.359 -10.508 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.536 -4.903 -11.883 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.053 -4.388 -10.619 1.00 0.00 C ATOM 1044 C GLN A 67 -5.258 -5.182 -10.115 1.00 0.00 C ATOM 1045 O GLN A 67 -5.505 -5.206 -8.910 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.362 -2.896 -10.697 1.00 0.00 C ATOM 1047 CG GLN A 67 -5.422 -2.541 -11.744 1.00 0.00 C ATOM 1048 CD GLN A 67 -5.306 -1.079 -12.145 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -6.157 -0.260 -11.820 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -4.230 -0.742 -12.849 1.00 0.00 N ATOM 0 H GLN A 67 -3.552 -4.244 -12.661 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.258 -4.520 -9.885 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.700 -2.552 -9.719 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.444 -2.355 -10.925 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.301 -3.176 -12.622 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.417 -2.737 -11.344 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.543 -1.452 -13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.092 0.227 -13.137 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.004 -5.852 -11.000 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.030 -6.769 -10.531 1.00 0.00 C ATOM 1061 C VAL A 68 -6.354 -7.993 -9.906 1.00 0.00 C ATOM 1062 O VAL A 68 -6.688 -8.371 -8.785 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.030 -7.138 -11.639 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.192 -7.945 -11.044 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.589 -5.876 -12.309 1.00 0.00 C ATOM 0 H VAL A 68 -5.917 -5.777 -12.013 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.629 -6.276 -9.765 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.506 -7.735 -12.386 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.897 -8.204 -11.834 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.806 -8.857 -10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.699 -7.348 -10.286 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.294 -6.161 -13.090 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.099 -5.264 -11.565 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.771 -5.305 -12.749 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.368 -8.586 -10.594 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.545 -9.653 -10.019 1.00 0.00 C ATOM 1077 C LEU A 69 -4.031 -9.245 -8.631 1.00 0.00 C ATOM 1078 O LEU A 69 -4.062 -10.053 -7.704 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.388 -10.041 -10.961 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.505 -11.175 -10.408 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -3.062 -12.560 -10.738 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -1.062 -11.021 -10.891 1.00 0.00 C ATOM 0 H LEU A 69 -5.122 -8.341 -11.553 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.169 -10.538 -9.900 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.799 -10.347 -11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.768 -9.163 -11.144 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.512 -11.091 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.403 -13.325 -10.326 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.056 -12.665 -10.304 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.124 -12.679 -11.820 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.455 -11.832 -10.489 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.037 -11.055 -11.980 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.664 -10.066 -10.549 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.583 -7.998 -8.458 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.086 -7.532 -7.169 1.00 0.00 C ATOM 1096 C VAL A 70 -4.105 -7.777 -6.041 1.00 0.00 C ATOM 1097 O VAL A 70 -3.730 -8.134 -4.924 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.594 -6.074 -7.222 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.215 -5.589 -5.815 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.356 -5.950 -8.121 1.00 0.00 C ATOM 0 H VAL A 70 -3.556 -7.296 -9.198 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.209 -8.133 -6.930 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.404 -5.466 -7.625 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.869 -4.557 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.087 -5.647 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.420 -6.219 -5.415 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.026 -4.912 -8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.556 -6.577 -7.727 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.606 -6.273 -9.131 1.00 0.00 H new