USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 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 Set 1.1: A 13 TYR OH : rot -170:sc= 1.25 USER MOD Set 1.2: A 33 GLN : amide:sc= -1.84 K(o=0.22,f=2.6) USER MOD Set 1.3: A 34 THR OG1 : rot 75:sc= 0.805 USER MOD Set 2.1: A 22 GLN : amide:sc= 0.862 K(o=1.7,f=-0.34) USER MOD Set 2.2: A 62 SER OG : rot 83:sc= 0.841 USER MOD Single : A 2 SER OG : rot -3:sc= 0.807 USER MOD Single : A 7 LYS NZ :NH3+ 150:sc= 0.267 (180deg=0.0355) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -101:sc= 1.19 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= -0.371 (180deg=-0.46) USER MOD Single : A 55 LYS NZ :NH3+ -179:sc= 0.933 (180deg=0.932) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.827 -0.416 -1.726 1.00 0.00 N ATOM 26 CA SER A 2 2.645 -1.618 -2.516 1.00 0.00 C ATOM 27 C SER A 2 2.208 -1.310 -3.949 1.00 0.00 C ATOM 28 O SER A 2 2.878 -1.772 -4.863 1.00 0.00 O ATOM 29 CB SER A 2 1.707 -2.602 -1.806 1.00 0.00 C ATOM 30 OG SER A 2 1.170 -2.040 -0.619 1.00 0.00 O ATOM 0 HA SER A 2 3.615 -2.107 -2.605 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.895 -2.882 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.251 -3.515 -1.564 1.00 0.00 H new ATOM 0 HG SER A 2 1.551 -1.148 -0.478 1.00 0.00 H new ATOM 36 N PRO A 3 1.129 -0.544 -4.192 1.00 0.00 N ATOM 37 CA PRO A 3 0.715 -0.188 -5.542 1.00 0.00 C ATOM 38 C PRO A 3 1.881 0.313 -6.398 1.00 0.00 C ATOM 39 O PRO A 3 2.100 -0.182 -7.502 1.00 0.00 O ATOM 40 CB PRO A 3 -0.385 0.864 -5.372 1.00 0.00 C ATOM 41 CG PRO A 3 -1.001 0.487 -4.025 1.00 0.00 C ATOM 42 CD PRO A 3 0.210 0.019 -3.216 1.00 0.00 C ATOM 0 HA PRO A 3 0.344 -1.058 -6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.020 1.876 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.116 0.820 -6.179 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.497 1.336 -3.555 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.747 -0.301 -4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.668 0.849 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.077 -0.724 -2.472 1.00 0.00 H new ATOM 50 N GLU A 4 2.651 1.272 -5.876 1.00 0.00 N ATOM 51 CA GLU A 4 3.795 1.841 -6.569 1.00 0.00 C ATOM 52 C GLU A 4 4.854 0.771 -6.840 1.00 0.00 C ATOM 53 O GLU A 4 5.365 0.662 -7.954 1.00 0.00 O ATOM 54 CB GLU A 4 4.392 3.008 -5.764 1.00 0.00 C ATOM 55 CG GLU A 4 3.356 4.072 -5.365 1.00 0.00 C ATOM 56 CD GLU A 4 2.825 3.869 -3.946 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.030 2.922 -3.756 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.237 4.654 -3.066 1.00 0.00 O ATOM 0 H GLU A 4 2.491 1.674 -4.952 1.00 0.00 H new ATOM 0 HA GLU A 4 3.453 2.229 -7.529 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.862 2.614 -4.863 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.178 3.481 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.807 5.061 -5.442 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.524 4.046 -6.068 1.00 0.00 H new ATOM 65 N GLU A 5 5.187 -0.021 -5.819 1.00 0.00 N ATOM 66 CA GLU A 5 6.157 -1.098 -5.944 1.00 0.00 C ATOM 67 C GLU A 5 5.733 -2.062 -7.058 1.00 0.00 C ATOM 68 O GLU A 5 6.522 -2.393 -7.942 1.00 0.00 O ATOM 69 CB GLU A 5 6.290 -1.802 -4.587 1.00 0.00 C ATOM 70 CG GLU A 5 7.395 -2.864 -4.579 1.00 0.00 C ATOM 71 CD GLU A 5 7.527 -3.509 -3.202 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.498 -4.031 -2.721 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.649 -3.457 -2.653 1.00 0.00 O ATOM 0 H GLU A 5 4.789 0.070 -4.884 1.00 0.00 H new ATOM 0 HA GLU A 5 7.134 -0.702 -6.222 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.499 -1.060 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.340 -2.270 -4.330 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.173 -3.629 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.344 -2.408 -4.863 1.00 0.00 H new ATOM 80 N LEU A 6 4.476 -2.505 -7.012 1.00 0.00 N ATOM 81 CA LEU A 6 3.924 -3.484 -7.933 1.00 0.00 C ATOM 82 C LEU A 6 3.845 -2.888 -9.338 1.00 0.00 C ATOM 83 O LEU A 6 4.100 -3.592 -10.309 1.00 0.00 O ATOM 84 CB LEU A 6 2.559 -3.991 -7.452 1.00 0.00 C ATOM 85 CG LEU A 6 2.617 -4.651 -6.062 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.217 -4.670 -5.446 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.143 -6.084 -6.151 1.00 0.00 C ATOM 0 H LEU A 6 3.803 -2.183 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 6 4.587 -4.349 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.858 -3.157 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.170 -4.710 -8.173 1.00 0.00 H new ATOM 0 HG LEU A 6 3.297 -4.070 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.259 -5.137 -4.462 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.849 -3.649 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.544 -5.238 -6.089 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.172 -6.523 -5.154 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.485 -6.674 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.147 -6.077 -6.574 1.00 0.00 H new ATOM 99 N LYS A 7 3.517 -1.596 -9.457 1.00 0.00 N ATOM 100 CA LYS A 7 3.590 -0.877 -10.719 1.00 0.00 C ATOM 101 C LYS A 7 5.019 -0.927 -11.262 1.00 0.00 C ATOM 102 O LYS A 7 5.226 -1.356 -12.392 1.00 0.00 O ATOM 103 CB LYS A 7 3.080 0.562 -10.535 1.00 0.00 C ATOM 104 CG LYS A 7 3.113 1.423 -11.807 1.00 0.00 C ATOM 105 CD LYS A 7 2.243 0.843 -12.929 1.00 0.00 C ATOM 106 CE LYS A 7 2.079 1.851 -14.072 1.00 0.00 C ATOM 107 NZ LYS A 7 1.384 1.249 -15.222 1.00 0.00 N ATOM 0 H LYS A 7 3.194 -1.026 -8.676 1.00 0.00 H new ATOM 0 HA LYS A 7 2.945 -1.354 -11.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.056 0.525 -10.164 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.680 1.050 -9.767 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.771 2.430 -11.570 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.142 1.510 -12.157 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.696 -0.073 -13.309 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.264 0.574 -12.533 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.519 2.717 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.059 2.212 -14.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.848 1.983 -15.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.082 0.824 -15.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.730 0.513 -14.886 1.00 0.00 H new ATOM 121 N GLY A 8 6.007 -0.514 -10.466 1.00 0.00 N ATOM 122 CA GLY A 8 7.407 -0.536 -10.875 1.00 0.00 C ATOM 123 C GLY A 8 7.816 -1.924 -11.370 1.00 0.00 C ATOM 124 O GLY A 8 8.293 -2.075 -12.495 1.00 0.00 O ATOM 0 H GLY A 8 5.857 -0.156 -9.523 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.570 0.197 -11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.039 -0.246 -10.035 1.00 0.00 H new ATOM 128 N ILE A 9 7.601 -2.935 -10.521 1.00 0.00 N ATOM 129 CA ILE A 9 7.788 -4.352 -10.827 1.00 0.00 C ATOM 130 C ILE A 9 7.164 -4.676 -12.186 1.00 0.00 C ATOM 131 O ILE A 9 7.860 -5.062 -13.127 1.00 0.00 O ATOM 132 CB ILE A 9 7.193 -5.177 -9.661 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.213 -5.253 -8.514 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.686 -6.577 -10.027 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.624 -5.919 -7.269 1.00 0.00 C ATOM 0 H ILE A 9 7.280 -2.779 -9.566 1.00 0.00 H new ATOM 0 HA ILE A 9 8.844 -4.610 -10.913 1.00 0.00 H new ATOM 0 HB ILE A 9 6.296 -4.640 -9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.089 -5.811 -8.844 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.551 -4.248 -8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.291 -7.065 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.898 -6.494 -10.775 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.508 -7.168 -10.430 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.378 -5.952 -6.483 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.764 -5.346 -6.923 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.310 -6.934 -7.513 1.00 0.00 H new ATOM 147 N PHE A 10 5.847 -4.503 -12.280 1.00 0.00 N ATOM 148 CA PHE A 10 5.069 -4.744 -13.484 1.00 0.00 C ATOM 149 C PHE A 10 5.777 -4.138 -14.700 1.00 0.00 C ATOM 150 O PHE A 10 6.112 -4.847 -15.648 1.00 0.00 O ATOM 151 CB PHE A 10 3.650 -4.192 -13.269 1.00 0.00 C ATOM 152 CG PHE A 10 2.796 -4.146 -14.513 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.916 -3.063 -15.402 1.00 0.00 C ATOM 154 CD2 PHE A 10 1.915 -5.197 -14.808 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.287 -3.109 -16.652 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.260 -5.231 -16.048 1.00 0.00 C ATOM 157 CZ PHE A 10 1.476 -4.208 -16.984 1.00 0.00 C ATOM 0 H PHE A 10 5.280 -4.182 -11.496 1.00 0.00 H new ATOM 0 HA PHE A 10 4.983 -5.812 -13.686 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.146 -4.804 -12.521 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.725 -3.185 -12.859 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.494 -2.195 -15.120 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.741 -5.978 -14.082 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.424 -2.303 -17.358 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.589 -6.045 -16.282 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.019 -4.265 -17.961 1.00 0.00 H new ATOM 167 N GLU A 11 6.040 -2.831 -14.662 1.00 0.00 N ATOM 168 CA GLU A 11 6.660 -2.132 -15.770 1.00 0.00 C ATOM 169 C GLU A 11 8.009 -2.742 -16.152 1.00 0.00 C ATOM 170 O GLU A 11 8.251 -2.972 -17.337 1.00 0.00 O ATOM 171 CB GLU A 11 6.789 -0.635 -15.470 1.00 0.00 C ATOM 172 CG GLU A 11 5.414 0.035 -15.390 1.00 0.00 C ATOM 173 CD GLU A 11 5.541 1.550 -15.310 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.947 2.031 -14.231 1.00 0.00 O ATOM 175 OE2 GLU A 11 5.217 2.195 -16.332 1.00 0.00 O ATOM 0 H GLU A 11 5.827 -2.236 -13.862 1.00 0.00 H new ATOM 0 HA GLU A 11 6.005 -2.248 -16.634 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.320 -0.495 -14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.385 -0.156 -16.247 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.823 -0.237 -16.265 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.878 -0.334 -14.516 1.00 0.00 H new ATOM 182 N LYS A 12 8.900 -2.999 -15.185 1.00 0.00 N ATOM 183 CA LYS A 12 10.200 -3.553 -15.547 1.00 0.00 C ATOM 184 C LYS A 12 10.041 -4.933 -16.194 1.00 0.00 C ATOM 185 O LYS A 12 10.637 -5.181 -17.239 1.00 0.00 O ATOM 186 CB LYS A 12 11.222 -3.507 -14.400 1.00 0.00 C ATOM 187 CG LYS A 12 10.828 -4.313 -13.160 1.00 0.00 C ATOM 188 CD LYS A 12 11.926 -4.342 -12.089 1.00 0.00 C ATOM 189 CE LYS A 12 12.162 -2.960 -11.469 1.00 0.00 C ATOM 190 NZ LYS A 12 13.103 -3.036 -10.337 1.00 0.00 N ATOM 0 H LYS A 12 8.751 -2.839 -14.189 1.00 0.00 H new ATOM 0 HA LYS A 12 10.637 -2.903 -16.305 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.179 -3.877 -14.769 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.374 -2.468 -14.108 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.921 -3.888 -12.731 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.592 -5.335 -13.458 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.650 -5.048 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.854 -4.704 -12.531 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.554 -2.281 -12.226 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.213 -2.544 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 13.243 -2.086 -9.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.716 -3.665 -9.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.015 -3.410 -10.668 1.00 0.00 H new ATOM 204 N TYR A 13 9.222 -5.821 -15.621 1.00 0.00 N ATOM 205 CA TYR A 13 8.983 -7.133 -16.218 1.00 0.00 C ATOM 206 C TYR A 13 8.455 -7.005 -17.642 1.00 0.00 C ATOM 207 O TYR A 13 9.010 -7.590 -18.572 1.00 0.00 O ATOM 208 CB TYR A 13 8.042 -7.961 -15.345 1.00 0.00 C ATOM 209 CG TYR A 13 8.776 -8.635 -14.211 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.547 -9.781 -14.473 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.677 -8.148 -12.899 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.223 -10.421 -13.425 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.426 -8.735 -11.870 1.00 0.00 C ATOM 214 CZ TYR A 13 10.208 -9.871 -12.133 1.00 0.00 C ATOM 215 OH TYR A 13 10.875 -10.492 -11.122 1.00 0.00 O ATOM 0 H TYR A 13 8.718 -5.654 -14.750 1.00 0.00 H new ATOM 0 HA TYR A 13 9.937 -7.658 -16.273 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.261 -7.317 -14.941 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.548 -8.715 -15.957 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.618 -10.167 -15.479 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.021 -7.318 -12.681 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.757 -11.341 -13.612 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.402 -8.314 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 13 10.631 -10.080 -10.267 1.00 0.00 H new ATOM 225 N ALA A 14 7.382 -6.231 -17.796 1.00 0.00 N ATOM 226 CA ALA A 14 6.783 -5.910 -19.076 1.00 0.00 C ATOM 227 C ALA A 14 7.861 -5.502 -20.083 1.00 0.00 C ATOM 228 O ALA A 14 8.058 -6.167 -21.098 1.00 0.00 O ATOM 229 CB ALA A 14 5.740 -4.813 -18.855 1.00 0.00 C ATOM 0 H ALA A 14 6.897 -5.802 -17.008 1.00 0.00 H new ATOM 0 HA ALA A 14 6.284 -6.782 -19.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.276 -4.555 -19.807 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.977 -5.171 -18.164 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.223 -3.930 -18.436 1.00 0.00 H new ATOM 235 N ALA A 15 8.611 -4.445 -19.763 1.00 0.00 N ATOM 236 CA ALA A 15 9.704 -3.964 -20.596 1.00 0.00 C ATOM 237 C ALA A 15 10.761 -5.038 -20.867 1.00 0.00 C ATOM 238 O ALA A 15 11.335 -5.064 -21.954 1.00 0.00 O ATOM 239 CB ALA A 15 10.330 -2.728 -19.948 1.00 0.00 C ATOM 0 H ALA A 15 8.472 -3.899 -18.913 1.00 0.00 H new ATOM 0 HA ALA A 15 9.290 -3.698 -21.568 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.149 -2.366 -20.570 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.576 -1.947 -19.850 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.712 -2.989 -18.961 1.00 0.00 H new ATOM 329 N GLN A 22 2.988 -4.035 -20.749 1.00 0.00 N ATOM 330 CA GLN A 22 2.120 -5.205 -20.807 1.00 0.00 C ATOM 331 C GLN A 22 2.895 -6.507 -20.585 1.00 0.00 C ATOM 332 O GLN A 22 3.952 -6.704 -21.179 1.00 0.00 O ATOM 333 CB GLN A 22 1.354 -5.191 -22.137 1.00 0.00 C ATOM 334 CG GLN A 22 -0.128 -5.471 -21.901 1.00 0.00 C ATOM 335 CD GLN A 22 -0.994 -5.146 -23.119 1.00 0.00 C ATOM 336 OE1 GLN A 22 -0.667 -4.265 -23.907 1.00 0.00 O ATOM 337 NE2 GLN A 22 -2.116 -5.834 -23.293 1.00 0.00 N ATOM 0 HA GLN A 22 1.399 -5.159 -19.991 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.475 -4.223 -22.623 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.769 -5.940 -22.811 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.257 -6.521 -21.639 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.473 -4.885 -21.049 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.375 -6.564 -22.629 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.719 -5.633 -24.091 1.00 0.00 H new ATOM 346 N LEU A 23 2.374 -7.393 -19.725 1.00 0.00 N ATOM 347 CA LEU A 23 3.035 -8.639 -19.343 1.00 0.00 C ATOM 348 C LEU A 23 2.506 -9.799 -20.183 1.00 0.00 C ATOM 349 O LEU A 23 1.374 -10.230 -19.967 1.00 0.00 O ATOM 350 CB LEU A 23 2.759 -8.968 -17.864 1.00 0.00 C ATOM 351 CG LEU A 23 3.210 -7.919 -16.848 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.724 -8.330 -15.460 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.715 -7.778 -16.740 1.00 0.00 C ATOM 0 H LEU A 23 1.470 -7.259 -19.272 1.00 0.00 H new ATOM 0 HA LEU A 23 4.105 -8.507 -19.506 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.688 -9.126 -17.742 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.250 -9.911 -17.625 1.00 0.00 H new ATOM 0 HG LEU A 23 2.793 -6.973 -17.194 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.041 -7.587 -14.729 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.636 -8.397 -15.460 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.147 -9.300 -15.199 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.957 -7.015 -16.000 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.149 -8.730 -16.435 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.124 -7.487 -17.708 1.00 0.00 H new ATOM 365 N SER A 24 3.299 -10.350 -21.104 1.00 0.00 N ATOM 366 CA SER A 24 2.920 -11.609 -21.739 1.00 0.00 C ATOM 367 C SER A 24 2.762 -12.689 -20.667 1.00 0.00 C ATOM 368 O SER A 24 3.272 -12.533 -19.561 1.00 0.00 O ATOM 369 CB SER A 24 3.951 -12.041 -22.790 1.00 0.00 C ATOM 370 OG SER A 24 5.011 -12.766 -22.194 1.00 0.00 O ATOM 0 H SER A 24 4.185 -9.955 -21.419 1.00 0.00 H new ATOM 0 HA SER A 24 1.971 -11.465 -22.255 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.466 -12.656 -23.548 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.348 -11.162 -23.298 1.00 0.00 H new ATOM 0 HG SER A 24 5.790 -12.180 -22.089 1.00 0.00 H new ATOM 376 N LYS A 25 2.119 -13.810 -20.994 1.00 0.00 N ATOM 377 CA LYS A 25 2.112 -14.979 -20.123 1.00 0.00 C ATOM 378 C LYS A 25 3.515 -15.349 -19.622 1.00 0.00 C ATOM 379 O LYS A 25 3.653 -15.785 -18.480 1.00 0.00 O ATOM 380 CB LYS A 25 1.378 -16.150 -20.789 1.00 0.00 C ATOM 381 CG LYS A 25 1.933 -16.553 -22.164 1.00 0.00 C ATOM 382 CD LYS A 25 1.229 -17.804 -22.709 1.00 0.00 C ATOM 383 CE LYS A 25 -0.276 -17.590 -22.922 1.00 0.00 C ATOM 384 NZ LYS A 25 -0.894 -18.746 -23.593 1.00 0.00 N ATOM 0 H LYS A 25 1.595 -13.930 -21.861 1.00 0.00 H new ATOM 0 HA LYS A 25 1.551 -14.721 -19.225 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.423 -17.014 -20.126 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.326 -15.887 -20.899 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.806 -15.728 -22.865 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.004 -16.742 -22.085 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.689 -18.092 -23.655 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.380 -18.632 -22.016 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.761 -17.424 -21.960 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.436 -16.692 -23.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.911 -18.570 -23.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.447 -18.889 -24.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.761 -19.597 -23.010 1.00 0.00 H new ATOM 398 N GLU A 26 4.558 -15.139 -20.438 1.00 0.00 N ATOM 399 CA GLU A 26 5.923 -15.388 -20.000 1.00 0.00 C ATOM 400 C GLU A 26 6.269 -14.453 -18.846 1.00 0.00 C ATOM 401 O GLU A 26 6.708 -14.919 -17.792 1.00 0.00 O ATOM 402 CB GLU A 26 6.909 -15.248 -21.170 1.00 0.00 C ATOM 403 CG GLU A 26 8.332 -15.654 -20.762 1.00 0.00 C ATOM 404 CD GLU A 26 9.303 -15.492 -21.927 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.830 -14.370 -22.078 1.00 0.00 O ATOM 406 OE2 GLU A 26 9.490 -16.495 -22.650 1.00 0.00 O ATOM 0 H GLU A 26 4.475 -14.800 -21.396 1.00 0.00 H new ATOM 0 HA GLU A 26 6.004 -16.414 -19.642 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.577 -15.869 -22.002 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.911 -14.217 -21.523 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.661 -15.043 -19.922 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.335 -16.690 -20.423 1.00 0.00 H new ATOM 413 N GLU A 27 6.050 -13.146 -19.026 1.00 0.00 N ATOM 414 CA GLU A 27 6.295 -12.206 -17.944 1.00 0.00 C ATOM 415 C GLU A 27 5.449 -12.600 -16.737 1.00 0.00 C ATOM 416 O GLU A 27 5.970 -12.672 -15.629 1.00 0.00 O ATOM 417 CB GLU A 27 5.963 -10.758 -18.318 1.00 0.00 C ATOM 418 CG GLU A 27 6.968 -10.059 -19.236 1.00 0.00 C ATOM 419 CD GLU A 27 6.661 -10.347 -20.699 1.00 0.00 C ATOM 420 OE1 GLU A 27 7.082 -11.419 -21.182 1.00 0.00 O ATOM 421 OE2 GLU A 27 5.946 -9.519 -21.300 1.00 0.00 O ATOM 0 H GLU A 27 5.711 -12.729 -19.893 1.00 0.00 H new ATOM 0 HA GLU A 27 7.361 -12.252 -17.720 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.986 -10.743 -18.802 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.873 -10.177 -17.400 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.941 -8.984 -19.060 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.977 -10.395 -18.999 1.00 0.00 H new ATOM 428 N LEU A 28 4.148 -12.824 -16.944 1.00 0.00 N ATOM 429 CA LEU A 28 3.197 -13.042 -15.868 1.00 0.00 C ATOM 430 C LEU A 28 3.624 -14.241 -15.027 1.00 0.00 C ATOM 431 O LEU A 28 3.657 -14.168 -13.801 1.00 0.00 O ATOM 432 CB LEU A 28 1.771 -13.146 -16.437 1.00 0.00 C ATOM 433 CG LEU A 28 0.630 -13.158 -15.400 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.351 -14.564 -14.853 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.838 -12.150 -14.268 1.00 0.00 C ATOM 0 H LEU A 28 3.729 -12.858 -17.873 1.00 0.00 H new ATOM 0 HA LEU A 28 3.187 -12.189 -15.190 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.610 -12.309 -17.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.704 -14.057 -17.032 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.259 -12.838 -15.943 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.461 -14.517 -14.127 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.067 -15.224 -15.673 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.248 -14.951 -14.370 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.002 -12.207 -13.572 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.765 -12.380 -13.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.896 -11.144 -14.683 1.00 0.00 H new ATOM 447 N LYS A 29 4.006 -15.339 -15.674 1.00 0.00 N ATOM 448 CA LYS A 29 4.605 -16.445 -14.956 1.00 0.00 C ATOM 449 C LYS A 29 5.858 -15.971 -14.226 1.00 0.00 C ATOM 450 O LYS A 29 5.971 -16.153 -13.015 1.00 0.00 O ATOM 451 CB LYS A 29 4.930 -17.554 -15.961 1.00 0.00 C ATOM 452 CG LYS A 29 5.523 -18.814 -15.312 1.00 0.00 C ATOM 453 CD LYS A 29 6.124 -19.742 -16.378 1.00 0.00 C ATOM 454 CE LYS A 29 7.627 -19.506 -16.602 1.00 0.00 C ATOM 455 NZ LYS A 29 7.935 -18.136 -17.050 1.00 0.00 N ATOM 0 H LYS A 29 3.911 -15.480 -16.680 1.00 0.00 H new ATOM 0 HA LYS A 29 3.916 -16.835 -14.207 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.021 -17.825 -16.498 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.634 -17.170 -16.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.292 -18.531 -14.593 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.748 -19.343 -14.758 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.965 -20.779 -16.081 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.595 -19.596 -17.319 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.163 -19.708 -15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.994 -20.216 -17.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.939 -18.075 -17.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.346 -17.899 -17.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.738 -17.466 -16.279 1.00 0.00 H new ATOM 469 N LEU A 30 6.810 -15.387 -14.962 1.00 0.00 N ATOM 470 CA LEU A 30 8.114 -15.035 -14.429 1.00 0.00 C ATOM 471 C LEU A 30 7.992 -14.200 -13.153 1.00 0.00 C ATOM 472 O LEU A 30 8.584 -14.558 -12.135 1.00 0.00 O ATOM 473 CB LEU A 30 8.961 -14.335 -15.504 1.00 0.00 C ATOM 474 CG LEU A 30 10.418 -14.098 -15.070 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.203 -15.408 -14.934 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.122 -13.222 -16.111 1.00 0.00 C ATOM 0 H LEU A 30 6.689 -15.148 -15.946 1.00 0.00 H new ATOM 0 HA LEU A 30 8.630 -15.953 -14.148 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.953 -14.937 -16.413 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.502 -13.378 -15.752 1.00 0.00 H new ATOM 0 HG LEU A 30 10.391 -13.611 -14.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.225 -15.189 -14.626 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.726 -16.042 -14.186 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.216 -15.926 -15.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.155 -13.053 -15.806 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.107 -13.724 -17.079 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.606 -12.265 -16.191 1.00 0.00 H new ATOM 488 N LEU A 31 7.242 -13.096 -13.170 1.00 0.00 N ATOM 489 CA LEU A 31 7.161 -12.245 -11.990 1.00 0.00 C ATOM 490 C LEU A 31 6.323 -12.868 -10.876 1.00 0.00 C ATOM 491 O LEU A 31 6.646 -12.650 -9.717 1.00 0.00 O ATOM 492 CB LEU A 31 6.814 -10.784 -12.308 1.00 0.00 C ATOM 493 CG LEU A 31 5.344 -10.370 -12.341 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.228 -8.883 -12.686 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.631 -11.143 -13.426 1.00 0.00 C ATOM 0 H LEU A 31 6.695 -12.779 -13.970 1.00 0.00 H new ATOM 0 HA LEU A 31 8.172 -12.188 -11.586 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.318 -10.157 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.247 -10.545 -13.280 1.00 0.00 H new ATOM 0 HG LEU A 31 4.904 -10.570 -11.364 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.177 -8.595 -12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.750 -8.293 -11.933 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.674 -8.700 -13.664 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.582 -10.850 -13.452 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.092 -10.927 -14.390 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.704 -12.211 -13.220 1.00 0.00 H new ATOM 507 N LEU A 32 5.288 -13.667 -11.160 1.00 0.00 N ATOM 508 CA LEU A 32 4.582 -14.324 -10.061 1.00 0.00 C ATOM 509 C LEU A 32 5.513 -15.325 -9.398 1.00 0.00 C ATOM 510 O LEU A 32 5.607 -15.368 -8.178 1.00 0.00 O ATOM 511 CB LEU A 32 3.253 -14.937 -10.520 1.00 0.00 C ATOM 512 CG LEU A 32 2.101 -13.929 -10.384 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.496 -12.558 -10.937 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.890 -14.460 -11.149 1.00 0.00 C ATOM 0 H LEU A 32 4.935 -13.867 -12.096 1.00 0.00 H new ATOM 0 HA LEU A 32 4.303 -13.582 -9.313 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.337 -15.259 -11.558 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.035 -15.825 -9.927 1.00 0.00 H new ATOM 0 HG LEU A 32 1.862 -13.809 -9.327 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.661 -11.867 -10.827 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.357 -12.178 -10.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.753 -12.651 -11.992 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.065 -13.753 -11.060 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.150 -14.584 -12.200 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.590 -15.422 -10.733 1.00 0.00 H new ATOM 526 N GLN A 33 6.269 -16.070 -10.196 1.00 0.00 N ATOM 527 CA GLN A 33 7.310 -16.940 -9.692 1.00 0.00 C ATOM 528 C GLN A 33 8.332 -16.169 -8.848 1.00 0.00 C ATOM 529 O GLN A 33 8.630 -16.586 -7.731 1.00 0.00 O ATOM 530 CB GLN A 33 7.889 -17.694 -10.897 1.00 0.00 C ATOM 531 CG GLN A 33 9.219 -18.434 -10.687 1.00 0.00 C ATOM 532 CD GLN A 33 10.450 -17.528 -10.695 1.00 0.00 C ATOM 533 OE1 GLN A 33 11.423 -17.803 -10.002 1.00 0.00 O ATOM 534 NE2 GLN A 33 10.428 -16.434 -11.454 1.00 0.00 N ATOM 0 H GLN A 33 6.173 -16.084 -11.211 1.00 0.00 H new ATOM 0 HA GLN A 33 6.920 -17.677 -8.991 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.147 -18.420 -11.230 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.024 -16.980 -11.710 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.180 -18.966 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.330 -19.186 -11.468 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.608 -16.224 -12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.231 -15.806 -11.466 1.00 0.00 H new ATOM 543 N THR A 34 8.877 -15.063 -9.362 1.00 0.00 N ATOM 544 CA THR A 34 9.963 -14.363 -8.679 1.00 0.00 C ATOM 545 C THR A 34 9.437 -13.678 -7.419 1.00 0.00 C ATOM 546 O THR A 34 10.014 -13.798 -6.341 1.00 0.00 O ATOM 547 CB THR A 34 10.633 -13.331 -9.606 1.00 0.00 C ATOM 548 OG1 THR A 34 10.949 -13.887 -10.864 1.00 0.00 O ATOM 549 CG2 THR A 34 11.936 -12.810 -8.990 1.00 0.00 C ATOM 0 H THR A 34 8.585 -14.637 -10.242 1.00 0.00 H new ATOM 0 HA THR A 34 10.715 -15.100 -8.397 1.00 0.00 H new ATOM 0 HB THR A 34 9.916 -12.519 -9.732 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.130 -13.985 -11.393 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.391 -12.083 -9.662 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.721 -12.335 -8.033 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.624 -13.642 -8.836 1.00 0.00 H new ATOM 557 N GLU A 35 8.360 -12.911 -7.582 1.00 0.00 N ATOM 558 CA GLU A 35 7.843 -12.015 -6.562 1.00 0.00 C ATOM 559 C GLU A 35 6.941 -12.765 -5.578 1.00 0.00 C ATOM 560 O GLU A 35 6.966 -12.466 -4.386 1.00 0.00 O ATOM 561 CB GLU A 35 7.106 -10.832 -7.215 1.00 0.00 C ATOM 562 CG GLU A 35 7.920 -10.098 -8.297 1.00 0.00 C ATOM 563 CD GLU A 35 9.269 -9.579 -7.814 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.306 -9.022 -6.695 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.238 -9.729 -8.593 1.00 0.00 O ATOM 0 H GLU A 35 7.816 -12.899 -8.445 1.00 0.00 H new ATOM 0 HA GLU A 35 8.682 -11.617 -5.992 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.179 -11.196 -7.659 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.829 -10.119 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.082 -10.774 -9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.333 -9.260 -8.672 1.00 0.00 H new ATOM 572 N PHE A 36 6.142 -13.726 -6.060 1.00 0.00 N ATOM 573 CA PHE A 36 5.132 -14.406 -5.258 1.00 0.00 C ATOM 574 C PHE A 36 5.285 -15.927 -5.363 1.00 0.00 C ATOM 575 O PHE A 36 4.347 -16.582 -5.827 1.00 0.00 O ATOM 576 CB PHE A 36 3.748 -13.961 -5.757 1.00 0.00 C ATOM 577 CG PHE A 36 3.552 -12.455 -5.779 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.831 -11.697 -4.626 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.232 -11.796 -6.983 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.891 -10.296 -4.701 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.281 -10.393 -7.055 1.00 0.00 C ATOM 582 CZ PHE A 36 3.658 -9.652 -5.926 1.00 0.00 C ATOM 0 H PHE A 36 6.183 -14.052 -7.026 1.00 0.00 H new ATOM 0 HA PHE A 36 5.252 -14.142 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.593 -14.352 -6.763 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.983 -14.407 -5.121 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.999 -12.194 -3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.948 -12.370 -7.853 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.116 -9.716 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.029 -9.888 -7.976 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.770 -8.580 -5.999 1.00 0.00 H new ATOM 726 N LEU A 46 -1.051 -22.049 -15.440 1.00 0.00 N ATOM 727 CA LEU A 46 -0.800 -20.709 -15.948 1.00 0.00 C ATOM 728 C LEU A 46 -1.813 -20.358 -17.026 1.00 0.00 C ATOM 729 O LEU A 46 -2.260 -19.220 -17.081 1.00 0.00 O ATOM 730 CB LEU A 46 0.619 -20.600 -16.520 1.00 0.00 C ATOM 731 CG LEU A 46 0.967 -19.187 -17.031 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.228 -18.222 -15.870 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.203 -19.286 -17.931 1.00 0.00 C ATOM 0 HA LEU A 46 -0.898 -20.008 -15.119 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.336 -20.887 -15.751 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.728 -21.311 -17.339 1.00 0.00 H new ATOM 0 HG LEU A 46 0.122 -18.792 -17.595 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.470 -17.235 -16.265 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.337 -18.154 -15.246 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.063 -18.589 -15.272 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.464 -18.295 -18.302 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.038 -19.691 -17.359 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.988 -19.943 -18.773 1.00 0.00 H new ATOM 745 N ASP A 47 -2.174 -21.309 -17.889 1.00 0.00 N ATOM 746 CA ASP A 47 -3.142 -21.055 -18.942 1.00 0.00 C ATOM 747 C ASP A 47 -4.439 -20.513 -18.341 1.00 0.00 C ATOM 748 O ASP A 47 -4.914 -19.451 -18.735 1.00 0.00 O ATOM 749 CB ASP A 47 -3.384 -22.343 -19.731 1.00 0.00 C ATOM 750 CG ASP A 47 -4.423 -22.119 -20.823 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.010 -21.666 -21.912 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.610 -22.392 -20.542 1.00 0.00 O ATOM 0 H ASP A 47 -1.807 -22.261 -17.874 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.755 -20.301 -19.627 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.449 -22.684 -20.176 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.722 -23.130 -19.057 1.00 0.00 H new ATOM 757 N GLU A 48 -4.988 -21.233 -17.362 1.00 0.00 N ATOM 758 CA GLU A 48 -6.249 -20.880 -16.733 1.00 0.00 C ATOM 759 C GLU A 48 -6.093 -19.569 -15.965 1.00 0.00 C ATOM 760 O GLU A 48 -6.903 -18.658 -16.120 1.00 0.00 O ATOM 761 CB GLU A 48 -6.723 -22.010 -15.809 1.00 0.00 C ATOM 762 CG GLU A 48 -7.166 -23.273 -16.570 1.00 0.00 C ATOM 763 CD GLU A 48 -6.029 -24.046 -17.238 1.00 0.00 C ATOM 764 OE1 GLU A 48 -4.883 -23.916 -16.756 1.00 0.00 O ATOM 765 OE2 GLU A 48 -6.328 -24.764 -18.216 1.00 0.00 O ATOM 0 H GLU A 48 -4.564 -22.081 -16.985 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.007 -20.741 -17.504 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.917 -22.271 -15.123 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.554 -21.650 -15.202 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.681 -23.937 -15.876 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -7.890 -22.986 -17.333 1.00 0.00 H new ATOM 772 N LEU A 49 -5.049 -19.470 -15.136 1.00 0.00 N ATOM 773 CA LEU A 49 -4.781 -18.274 -14.347 1.00 0.00 C ATOM 774 C LEU A 49 -4.719 -17.061 -15.280 1.00 0.00 C ATOM 775 O LEU A 49 -5.472 -16.100 -15.127 1.00 0.00 O ATOM 776 CB LEU A 49 -3.485 -18.489 -13.542 1.00 0.00 C ATOM 777 CG LEU A 49 -3.157 -17.457 -12.444 1.00 0.00 C ATOM 778 CD1 LEU A 49 -2.828 -16.067 -12.994 1.00 0.00 C ATOM 779 CD2 LEU A 49 -4.259 -17.363 -11.384 1.00 0.00 C ATOM 0 H LEU A 49 -4.370 -20.218 -14.997 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.579 -18.082 -13.629 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.536 -19.473 -13.076 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.651 -18.512 -14.244 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.253 -17.835 -11.966 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.607 -15.392 -12.167 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.961 -16.132 -13.651 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.681 -15.687 -13.556 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.980 -16.623 -10.634 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.195 -17.065 -11.857 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.388 -18.334 -10.906 1.00 0.00 H new ATOM 791 N PHE A 50 -3.844 -17.124 -16.284 1.00 0.00 N ATOM 792 CA PHE A 50 -3.670 -16.073 -17.267 1.00 0.00 C ATOM 793 C PHE A 50 -4.988 -15.755 -17.970 1.00 0.00 C ATOM 794 O PHE A 50 -5.343 -14.589 -18.096 1.00 0.00 O ATOM 795 CB PHE A 50 -2.586 -16.474 -18.270 1.00 0.00 C ATOM 796 CG PHE A 50 -2.100 -15.323 -19.118 1.00 0.00 C ATOM 797 CD1 PHE A 50 -1.225 -14.379 -18.554 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.514 -15.184 -20.455 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.698 -13.346 -19.341 1.00 0.00 C ATOM 800 CE2 PHE A 50 -1.981 -14.153 -21.245 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.047 -13.258 -20.694 1.00 0.00 C ATOM 0 H PHE A 50 -3.229 -17.924 -16.433 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.350 -15.165 -16.757 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.741 -16.900 -17.730 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.975 -17.257 -18.921 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.958 -14.450 -17.510 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.239 -15.867 -20.872 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.026 -12.621 -18.906 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.288 -14.047 -22.275 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.597 -12.499 -21.317 1.00 0.00 H new ATOM 811 N GLU A 51 -5.732 -16.776 -18.407 1.00 0.00 N ATOM 812 CA GLU A 51 -7.024 -16.580 -19.053 1.00 0.00 C ATOM 813 C GLU A 51 -7.997 -15.838 -18.131 1.00 0.00 C ATOM 814 O GLU A 51 -8.730 -14.958 -18.574 1.00 0.00 O ATOM 815 CB GLU A 51 -7.579 -17.938 -19.505 1.00 0.00 C ATOM 816 CG GLU A 51 -8.858 -17.798 -20.340 1.00 0.00 C ATOM 817 CD GLU A 51 -9.353 -19.161 -20.812 1.00 0.00 C ATOM 818 OE1 GLU A 51 -9.906 -19.889 -19.960 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.164 -19.453 -22.013 1.00 0.00 O ATOM 0 H GLU A 51 -5.454 -17.754 -18.322 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.894 -15.952 -19.934 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.822 -18.460 -20.090 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.786 -18.553 -18.629 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.632 -17.311 -19.747 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.666 -17.158 -21.201 1.00 0.00 H new ATOM 826 N GLU A 52 -8.002 -16.195 -16.845 1.00 0.00 N ATOM 827 CA GLU A 52 -8.881 -15.586 -15.856 1.00 0.00 C ATOM 828 C GLU A 52 -8.502 -14.114 -15.683 1.00 0.00 C ATOM 829 O GLU A 52 -9.362 -13.246 -15.573 1.00 0.00 O ATOM 830 CB GLU A 52 -8.763 -16.359 -14.532 1.00 0.00 C ATOM 831 CG GLU A 52 -9.737 -15.856 -13.458 1.00 0.00 C ATOM 832 CD GLU A 52 -9.492 -16.561 -12.128 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.114 -17.624 -11.923 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.676 -16.026 -11.344 1.00 0.00 O ATOM 0 H GLU A 52 -7.392 -16.918 -16.463 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.919 -15.632 -16.186 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.949 -17.417 -14.717 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -7.743 -16.275 -14.158 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.620 -14.780 -13.331 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.763 -16.029 -13.782 1.00 0.00 H new ATOM 841 N LEU A 53 -7.197 -13.861 -15.614 1.00 0.00 N ATOM 842 CA LEU A 53 -6.604 -12.572 -15.304 1.00 0.00 C ATOM 843 C LEU A 53 -6.735 -11.594 -16.479 1.00 0.00 C ATOM 844 O LEU A 53 -7.199 -10.465 -16.331 1.00 0.00 O ATOM 845 CB LEU A 53 -5.131 -12.862 -14.981 1.00 0.00 C ATOM 846 CG LEU A 53 -4.345 -11.792 -14.220 1.00 0.00 C ATOM 847 CD1 LEU A 53 -2.895 -12.289 -14.177 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.399 -10.397 -14.845 1.00 0.00 C ATOM 0 H LEU A 53 -6.497 -14.584 -15.781 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.111 -12.094 -14.466 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.090 -13.784 -14.401 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.613 -13.054 -15.921 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.791 -11.667 -13.233 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.278 -11.566 -13.644 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.855 -13.249 -13.663 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.520 -12.406 -15.194 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.815 -9.704 -14.239 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.987 -10.434 -15.853 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.434 -10.057 -14.888 1.00 0.00 H new ATOM 860 N ASP A 54 -6.277 -12.013 -17.656 1.00 0.00 N ATOM 861 CA ASP A 54 -6.063 -11.162 -18.817 1.00 0.00 C ATOM 862 C ASP A 54 -7.341 -10.871 -19.615 1.00 0.00 C ATOM 863 O ASP A 54 -7.360 -11.055 -20.833 1.00 0.00 O ATOM 864 CB ASP A 54 -4.989 -11.831 -19.687 1.00 0.00 C ATOM 865 CG ASP A 54 -4.327 -10.864 -20.661 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.672 -9.665 -20.611 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.470 -11.341 -21.436 1.00 0.00 O ATOM 0 H ASP A 54 -6.037 -12.989 -17.831 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.732 -10.181 -18.476 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.227 -12.268 -19.042 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.440 -12.650 -20.247 1.00 0.00 H new ATOM 872 N LYS A 55 -8.386 -10.404 -18.921 1.00 0.00 N ATOM 873 CA LYS A 55 -9.746 -10.206 -19.432 1.00 0.00 C ATOM 874 C LYS A 55 -9.784 -9.761 -20.899 1.00 0.00 C ATOM 875 O LYS A 55 -10.390 -10.422 -21.738 1.00 0.00 O ATOM 876 CB LYS A 55 -10.505 -9.168 -18.579 1.00 0.00 C ATOM 877 CG LYS A 55 -11.193 -9.727 -17.326 1.00 0.00 C ATOM 878 CD LYS A 55 -10.197 -10.123 -16.235 1.00 0.00 C ATOM 879 CE LYS A 55 -10.892 -10.484 -14.919 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.685 -11.719 -15.048 1.00 0.00 N ATOM 0 H LYS A 55 -8.301 -10.141 -17.939 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.230 -11.181 -19.367 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.804 -8.391 -18.273 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.259 -8.689 -19.204 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.882 -8.980 -16.930 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.790 -10.597 -17.601 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.606 -10.973 -16.576 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.503 -9.300 -16.063 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.146 -10.610 -14.135 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.541 -9.664 -14.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.156 -11.925 -14.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.402 -11.595 -15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.058 -12.509 -15.300 1.00 0.00 H new ATOM 923 N GLY A 59 -3.396 -12.377 -24.031 1.00 0.00 N ATOM 924 CA GLY A 59 -2.159 -12.438 -24.789 1.00 0.00 C ATOM 925 C GLY A 59 -1.080 -11.709 -23.997 1.00 0.00 C ATOM 926 O GLY A 59 -0.007 -12.265 -23.757 1.00 0.00 O ATOM 0 HA2 GLY A 59 -1.869 -13.475 -24.961 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.290 -11.977 -25.768 1.00 0.00 H new ATOM 930 N GLU A 60 -1.388 -10.491 -23.540 1.00 0.00 N ATOM 931 CA GLU A 60 -0.555 -9.763 -22.596 1.00 0.00 C ATOM 932 C GLU A 60 -1.409 -8.921 -21.641 1.00 0.00 C ATOM 933 O GLU A 60 -2.375 -8.287 -22.051 1.00 0.00 O ATOM 934 CB GLU A 60 0.557 -8.978 -23.312 1.00 0.00 C ATOM 935 CG GLU A 60 0.115 -8.289 -24.611 1.00 0.00 C ATOM 936 CD GLU A 60 1.199 -7.371 -25.177 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.385 -7.607 -24.853 1.00 0.00 O ATOM 938 OE2 GLU A 60 0.823 -6.445 -25.925 1.00 0.00 O ATOM 0 H GLU A 60 -2.228 -9.985 -23.820 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.032 -10.481 -21.964 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.948 -8.223 -22.630 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.377 -9.659 -23.538 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.141 -9.046 -25.352 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.788 -7.709 -24.423 1.00 0.00 H new ATOM 945 N VAL A 61 -1.042 -8.924 -20.358 1.00 0.00 N ATOM 946 CA VAL A 61 -1.782 -8.355 -19.242 1.00 0.00 C ATOM 947 C VAL A 61 -1.385 -6.892 -19.050 1.00 0.00 C ATOM 948 O VAL A 61 -0.220 -6.597 -18.781 1.00 0.00 O ATOM 949 CB VAL A 61 -1.477 -9.207 -17.994 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.924 -8.561 -16.679 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.162 -10.567 -18.108 1.00 0.00 C ATOM 0 H VAL A 61 -0.166 -9.351 -20.058 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.856 -8.370 -19.429 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.392 -9.304 -17.964 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.675 -9.220 -15.847 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.414 -7.606 -16.551 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.001 -8.396 -16.702 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.940 -11.161 -17.222 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.240 -10.426 -18.190 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.795 -11.086 -18.994 1.00 0.00 H new ATOM 961 N SER A 62 -2.358 -5.986 -19.180 1.00 0.00 N ATOM 962 CA SER A 62 -2.220 -4.564 -18.889 1.00 0.00 C ATOM 963 C SER A 62 -2.168 -4.345 -17.381 1.00 0.00 C ATOM 964 O SER A 62 -2.746 -5.130 -16.635 1.00 0.00 O ATOM 965 CB SER A 62 -3.405 -3.802 -19.495 1.00 0.00 C ATOM 966 OG SER A 62 -3.697 -4.284 -20.792 1.00 0.00 O ATOM 0 H SER A 62 -3.293 -6.235 -19.502 1.00 0.00 H new ATOM 0 HA SER A 62 -1.294 -4.192 -19.327 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.280 -3.912 -18.855 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.175 -2.738 -19.540 1.00 0.00 H new ATOM 0 HG SER A 62 -4.263 -5.081 -20.725 1.00 0.00 H new ATOM 972 N PHE A 63 -1.530 -3.262 -16.927 1.00 0.00 N ATOM 973 CA PHE A 63 -1.442 -2.943 -15.505 1.00 0.00 C ATOM 974 C PHE A 63 -2.818 -2.992 -14.835 1.00 0.00 C ATOM 975 O PHE A 63 -2.967 -3.498 -13.728 1.00 0.00 O ATOM 976 CB PHE A 63 -0.789 -1.573 -15.293 1.00 0.00 C ATOM 977 CG PHE A 63 -0.661 -1.218 -13.824 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.177 -1.991 -12.998 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.512 -0.256 -13.250 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.143 -1.824 -11.602 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.514 -0.059 -11.857 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.695 -0.851 -11.032 1.00 0.00 C ATOM 0 H PHE A 63 -1.064 -2.587 -17.533 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.814 -3.701 -15.036 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.199 -1.569 -15.753 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.379 -0.809 -15.799 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.848 -2.714 -13.438 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -2.164 0.332 -13.879 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.761 -2.443 -10.969 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.145 0.701 -11.421 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.710 -0.711 -9.961 1.00 0.00 H new ATOM 992 N GLU A 64 -3.839 -2.497 -15.530 1.00 0.00 N ATOM 993 CA GLU A 64 -5.203 -2.456 -15.029 1.00 0.00 C ATOM 994 C GLU A 64 -5.742 -3.870 -14.793 1.00 0.00 C ATOM 995 O GLU A 64 -6.478 -4.106 -13.838 1.00 0.00 O ATOM 996 CB GLU A 64 -6.096 -1.674 -16.006 1.00 0.00 C ATOM 997 CG GLU A 64 -5.720 -0.184 -16.131 1.00 0.00 C ATOM 998 CD GLU A 64 -4.351 0.075 -16.762 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.965 -0.725 -17.644 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.691 1.038 -16.316 1.00 0.00 O ATOM 0 H GLU A 64 -3.737 -2.109 -16.468 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.209 -1.941 -14.068 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.037 -2.139 -16.990 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.133 -1.752 -15.679 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.481 0.321 -16.726 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.740 0.267 -15.139 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.370 -4.818 -15.655 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.745 -6.212 -15.504 1.00 0.00 C ATOM 1009 C GLU A 65 -4.909 -6.816 -14.374 1.00 0.00 C ATOM 1010 O GLU A 65 -5.435 -7.491 -13.493 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.548 -6.939 -16.840 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.445 -6.340 -17.933 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.116 -6.912 -19.306 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -5.038 -6.547 -19.829 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.954 -7.688 -19.813 1.00 0.00 O ATOM 0 H GLU A 65 -4.798 -4.632 -16.479 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.797 -6.315 -15.237 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.504 -6.870 -17.144 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.776 -7.998 -16.718 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.490 -6.539 -17.696 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.323 -5.257 -17.951 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.605 -6.521 -14.362 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.703 -6.933 -13.296 1.00 0.00 C ATOM 1024 C PHE A 66 -3.261 -6.514 -11.938 1.00 0.00 C ATOM 1025 O PHE A 66 -3.230 -7.287 -10.992 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.300 -6.362 -13.518 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.250 -6.943 -12.595 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.261 -8.232 -12.834 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.259 -6.176 -11.531 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.277 -8.751 -12.014 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.286 -6.691 -10.723 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.784 -7.985 -10.952 1.00 0.00 C ATOM 0 H PHE A 66 -3.148 -5.985 -15.100 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.623 -8.020 -13.310 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.003 -6.544 -14.551 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.332 -5.281 -13.382 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.128 -8.824 -13.649 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.140 -5.192 -11.336 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.668 -9.740 -12.201 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.694 -6.091 -9.923 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.555 -8.389 -10.313 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.828 -5.313 -11.839 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.443 -4.832 -10.615 1.00 0.00 C ATOM 1044 C GLN A 67 -5.514 -5.803 -10.093 1.00 0.00 C ATOM 1045 O GLN A 67 -5.661 -5.955 -8.883 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.998 -3.422 -10.843 1.00 0.00 C ATOM 1047 CG GLN A 67 -5.296 -2.707 -9.521 1.00 0.00 C ATOM 1048 CD GLN A 67 -5.844 -1.304 -9.758 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -6.950 -0.983 -9.339 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -5.076 -0.454 -10.436 1.00 0.00 N ATOM 0 H GLN A 67 -3.871 -4.648 -12.611 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.683 -4.781 -9.835 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.280 -2.838 -11.419 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.910 -3.482 -11.437 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.017 -3.288 -8.946 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.386 -2.648 -8.925 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -4.160 -0.751 -10.772 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.404 0.494 -10.620 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.242 -6.497 -10.976 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.180 -7.530 -10.546 1.00 0.00 C ATOM 1061 C VAL A 68 -6.410 -8.653 -9.842 1.00 0.00 C ATOM 1062 O VAL A 68 -6.823 -9.125 -8.783 1.00 0.00 O ATOM 1063 CB VAL A 68 -8.024 -8.053 -11.723 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -9.108 -9.016 -11.220 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.709 -6.900 -12.473 1.00 0.00 C ATOM 0 H VAL A 68 -6.197 -6.360 -11.986 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.886 -7.098 -9.837 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.346 -8.572 -12.401 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.695 -9.376 -12.065 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.639 -9.862 -10.718 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.761 -8.495 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.297 -7.301 -13.298 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.364 -6.360 -11.790 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.952 -6.220 -12.864 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.261 -9.055 -10.395 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.369 -9.965 -9.692 1.00 0.00 C ATOM 1077 C LEU A 69 -3.962 -9.334 -8.358 1.00 0.00 C ATOM 1078 O LEU A 69 -4.044 -9.999 -7.335 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.148 -10.347 -10.544 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.371 -11.523 -9.927 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -2.820 -12.873 -10.493 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -0.868 -11.316 -10.119 1.00 0.00 C ATOM 0 H LEU A 69 -4.935 -8.765 -11.317 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.898 -10.898 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.474 -10.614 -11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.488 -9.485 -10.641 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.591 -11.544 -8.860 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.243 -13.673 -10.028 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.880 -13.021 -10.284 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.657 -12.888 -11.571 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.326 -12.153 -9.679 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.642 -11.257 -11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.563 -10.390 -9.631 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.556 -8.060 -8.332 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.155 -7.393 -7.093 1.00 0.00 C ATOM 1096 C VAL A 70 -4.249 -7.482 -6.022 1.00 0.00 C ATOM 1097 O VAL A 70 -3.954 -7.759 -4.862 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.684 -5.945 -7.326 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.304 -5.274 -5.998 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.465 -5.908 -8.258 1.00 0.00 C ATOM 0 H VAL A 70 -3.497 -7.469 -9.161 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.289 -7.934 -6.712 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.512 -5.406 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.975 -4.252 -6.188 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.171 -5.259 -5.337 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.497 -5.834 -5.525 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.152 -4.875 -8.407 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.648 -6.474 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.728 -6.349 -9.219 1.00 0.00 H new