USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 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 22 GLN : amide:sc= 1.07 K(o=2.8,f=0.59) USER MOD Set 1.2: A 62 SER OG : rot 84:sc= 1.73 USER MOD Single : A 2 SER OG : rot 22:sc= 0.667 USER MOD Single : A 7 LYS NZ :NH3+ -172:sc=-0.00114 (180deg=-0.0662) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot -167:sc= 1.24 USER MOD Single : A 24 SER OG : rot 180:sc= 0.597 USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 0.0606 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 167:sc= -0.0103 (180deg=-0.15) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0352 F(o=-1,f=-0.035) USER MOD Single : A 34 THR OG1 : rot 79:sc= 1.13 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 1.07 (180deg=0.839) USER MOD Single : A 67 GLN : amide:sc= -0.462 X(o=-0.46,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.347 0.268 -2.024 1.00 0.00 N ATOM 26 CA SER A 2 2.325 -1.054 -2.621 1.00 0.00 C ATOM 27 C SER A 2 1.811 -1.058 -4.065 1.00 0.00 C ATOM 28 O SER A 2 2.480 -1.636 -4.916 1.00 0.00 O ATOM 29 CB SER A 2 1.597 -2.033 -1.695 1.00 0.00 C ATOM 30 OG SER A 2 1.828 -1.639 -0.352 1.00 0.00 O ATOM 0 HA SER A 2 3.353 -1.402 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.529 -2.035 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.957 -3.049 -1.859 1.00 0.00 H new ATOM 0 HG SER A 2 2.081 -0.693 -0.328 1.00 0.00 H new ATOM 36 N PRO A 3 0.675 -0.414 -4.392 1.00 0.00 N ATOM 37 CA PRO A 3 0.208 -0.323 -5.768 1.00 0.00 C ATOM 38 C PRO A 3 1.292 0.213 -6.709 1.00 0.00 C ATOM 39 O PRO A 3 1.535 -0.354 -7.772 1.00 0.00 O ATOM 40 CB PRO A 3 -1.018 0.595 -5.728 1.00 0.00 C ATOM 41 CG PRO A 3 -1.540 0.417 -4.304 1.00 0.00 C ATOM 42 CD PRO A 3 -0.245 0.287 -3.506 1.00 0.00 C ATOM 0 HA PRO A 3 -0.045 -1.306 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -0.752 1.632 -5.933 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.763 0.305 -6.469 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -2.136 1.269 -3.978 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -2.169 -0.468 -4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.146 1.265 -3.225 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -0.405 -0.269 -2.582 1.00 0.00 H new ATOM 50 N GLU A 4 1.956 1.302 -6.309 1.00 0.00 N ATOM 51 CA GLU A 4 2.980 1.959 -7.106 1.00 0.00 C ATOM 52 C GLU A 4 4.211 1.058 -7.223 1.00 0.00 C ATOM 53 O GLU A 4 4.783 0.916 -8.302 1.00 0.00 O ATOM 54 CB GLU A 4 3.348 3.317 -6.486 1.00 0.00 C ATOM 55 CG GLU A 4 2.190 4.332 -6.474 1.00 0.00 C ATOM 56 CD GLU A 4 1.056 3.998 -5.503 1.00 0.00 C ATOM 57 OE1 GLU A 4 1.347 3.370 -4.460 1.00 0.00 O ATOM 58 OE2 GLU A 4 -0.092 4.367 -5.827 1.00 0.00 O ATOM 0 H GLU A 4 1.790 1.753 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 4 2.591 2.139 -8.108 1.00 0.00 H new ATOM 0 HB2 GLU A 4 3.689 3.158 -5.463 1.00 0.00 H new ATOM 0 HB3 GLU A 4 4.186 3.743 -7.039 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.589 5.314 -6.221 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.778 4.405 -7.481 1.00 0.00 H new ATOM 65 N GLU A 5 4.613 0.436 -6.115 1.00 0.00 N ATOM 66 CA GLU A 5 5.709 -0.518 -6.082 1.00 0.00 C ATOM 67 C GLU A 5 5.439 -1.633 -7.099 1.00 0.00 C ATOM 68 O GLU A 5 6.272 -1.929 -7.954 1.00 0.00 O ATOM 69 CB GLU A 5 5.839 -1.052 -4.648 1.00 0.00 C ATOM 70 CG GLU A 5 7.089 -1.911 -4.429 1.00 0.00 C ATOM 71 CD GLU A 5 7.124 -2.461 -3.005 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.041 -1.632 -2.071 1.00 0.00 O ATOM 73 OE2 GLU A 5 7.210 -3.700 -2.874 1.00 0.00 O ATOM 0 H GLU A 5 4.177 0.586 -5.205 1.00 0.00 H new ATOM 0 HA GLU A 5 6.654 -0.050 -6.359 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.860 -0.211 -3.955 1.00 0.00 H new ATOM 0 HB3 GLU A 5 4.955 -1.642 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.100 -2.735 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.983 -1.316 -4.616 1.00 0.00 H new ATOM 80 N LEU A 6 4.251 -2.232 -7.015 1.00 0.00 N ATOM 81 CA LEU A 6 3.843 -3.318 -7.890 1.00 0.00 C ATOM 82 C LEU A 6 3.752 -2.833 -9.334 1.00 0.00 C ATOM 83 O LEU A 6 4.123 -3.574 -10.239 1.00 0.00 O ATOM 84 CB LEU A 6 2.519 -3.931 -7.418 1.00 0.00 C ATOM 85 CG LEU A 6 2.639 -4.570 -6.023 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.250 -4.675 -5.395 1.00 0.00 C ATOM 87 CD2 LEU A 6 3.254 -5.968 -6.111 1.00 0.00 C ATOM 0 H LEU A 6 3.542 -1.971 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 6 4.599 -4.102 -7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.750 -3.159 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.194 -4.685 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 6 3.286 -3.942 -5.411 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.331 -5.127 -4.407 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.816 -3.679 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.611 -5.293 -6.026 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.327 -6.397 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.624 -6.604 -6.733 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.249 -5.901 -6.551 1.00 0.00 H new ATOM 99 N LYS A 7 3.290 -1.601 -9.567 1.00 0.00 N ATOM 100 CA LYS A 7 3.343 -0.996 -10.891 1.00 0.00 C ATOM 101 C LYS A 7 4.785 -0.946 -11.394 1.00 0.00 C ATOM 102 O LYS A 7 5.049 -1.339 -12.525 1.00 0.00 O ATOM 103 CB LYS A 7 2.712 0.401 -10.883 1.00 0.00 C ATOM 104 CG LYS A 7 2.501 0.909 -12.315 1.00 0.00 C ATOM 105 CD LYS A 7 1.840 2.291 -12.304 1.00 0.00 C ATOM 106 CE LYS A 7 1.549 2.780 -13.730 1.00 0.00 C ATOM 107 NZ LYS A 7 2.783 2.976 -14.514 1.00 0.00 N ATOM 0 H LYS A 7 2.875 -1.006 -8.850 1.00 0.00 H new ATOM 0 HA LYS A 7 2.763 -1.615 -11.576 1.00 0.00 H new ATOM 0 HB2 LYS A 7 1.757 0.371 -10.358 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.354 1.092 -10.337 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.459 0.962 -12.833 1.00 0.00 H new ATOM 0 HG3 LYS A 7 1.878 0.206 -12.868 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.911 2.248 -11.735 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.491 3.004 -11.798 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.909 2.057 -14.237 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.996 3.718 -13.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.551 3.433 -15.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.441 3.579 -13.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.229 2.054 -14.696 1.00 0.00 H new ATOM 121 N GLY A 8 5.714 -0.469 -10.564 1.00 0.00 N ATOM 122 CA GLY A 8 7.128 -0.419 -10.897 1.00 0.00 C ATOM 123 C GLY A 8 7.635 -1.802 -11.302 1.00 0.00 C ATOM 124 O GLY A 8 8.171 -1.973 -12.397 1.00 0.00 O ATOM 0 H GLY A 8 5.499 -0.105 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.290 0.287 -11.712 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.696 -0.054 -10.041 1.00 0.00 H new ATOM 128 N ILE A 9 7.443 -2.788 -10.423 1.00 0.00 N ATOM 129 CA ILE A 9 7.797 -4.182 -10.678 1.00 0.00 C ATOM 130 C ILE A 9 7.218 -4.616 -12.031 1.00 0.00 C ATOM 131 O ILE A 9 7.961 -4.969 -12.948 1.00 0.00 O ATOM 132 CB ILE A 9 7.295 -5.055 -9.506 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.132 -4.810 -8.239 1.00 0.00 C ATOM 134 CG2 ILE A 9 7.314 -6.551 -9.818 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.687 -5.710 -7.080 1.00 0.00 C ATOM 0 H ILE A 9 7.031 -2.636 -9.502 1.00 0.00 H new ATOM 0 HA ILE A 9 8.879 -4.304 -10.737 1.00 0.00 H new ATOM 0 HB ILE A 9 6.260 -4.756 -9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.184 -4.992 -8.458 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.045 -3.765 -7.942 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.950 -7.107 -8.954 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.672 -6.752 -10.676 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.333 -6.862 -10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.303 -5.506 -6.204 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.642 -5.509 -6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.799 -6.755 -7.367 1.00 0.00 H new ATOM 147 N PHE A 10 5.887 -4.586 -12.135 1.00 0.00 N ATOM 148 CA PHE A 10 5.133 -4.923 -13.338 1.00 0.00 C ATOM 149 C PHE A 10 5.793 -4.307 -14.572 1.00 0.00 C ATOM 150 O PHE A 10 6.111 -5.012 -15.523 1.00 0.00 O ATOM 151 CB PHE A 10 3.673 -4.462 -13.172 1.00 0.00 C ATOM 152 CG PHE A 10 2.851 -4.463 -14.445 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.950 -3.376 -15.335 1.00 0.00 C ATOM 154 CD2 PHE A 10 2.083 -5.586 -14.805 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.426 -3.480 -16.630 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.462 -5.637 -16.062 1.00 0.00 C ATOM 157 CZ PHE A 10 1.664 -4.604 -16.986 1.00 0.00 C ATOM 0 H PHE A 10 5.287 -4.317 -11.355 1.00 0.00 H new ATOM 0 HA PHE A 10 5.133 -6.003 -13.483 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.185 -5.108 -12.442 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.671 -3.454 -12.757 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.430 -2.462 -15.019 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.972 -6.408 -14.114 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.608 -2.698 -17.352 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.828 -6.473 -16.317 1.00 0.00 H new ATOM 0 HZ PHE A 10 1.233 -4.672 -17.974 1.00 0.00 H new ATOM 167 N GLU A 11 6.008 -2.991 -14.545 1.00 0.00 N ATOM 168 CA GLU A 11 6.533 -2.226 -15.661 1.00 0.00 C ATOM 169 C GLU A 11 7.930 -2.720 -16.037 1.00 0.00 C ATOM 170 O GLU A 11 8.224 -2.932 -17.213 1.00 0.00 O ATOM 171 CB GLU A 11 6.515 -0.737 -15.287 1.00 0.00 C ATOM 172 CG GLU A 11 6.827 0.173 -16.479 1.00 0.00 C ATOM 173 CD GLU A 11 6.679 1.642 -16.095 1.00 0.00 C ATOM 174 OE1 GLU A 11 5.523 2.049 -15.844 1.00 0.00 O ATOM 175 OE2 GLU A 11 7.724 2.328 -16.047 1.00 0.00 O ATOM 0 H GLU A 11 5.815 -2.420 -13.723 1.00 0.00 H new ATOM 0 HA GLU A 11 5.910 -2.364 -16.545 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.536 -0.479 -14.884 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.243 -0.556 -14.496 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.842 -0.015 -16.830 1.00 0.00 H new ATOM 0 HG3 GLU A 11 6.156 -0.060 -17.306 1.00 0.00 H new ATOM 182 N LYS A 12 8.800 -2.905 -15.041 1.00 0.00 N ATOM 183 CA LYS A 12 10.154 -3.388 -15.269 1.00 0.00 C ATOM 184 C LYS A 12 10.138 -4.775 -15.912 1.00 0.00 C ATOM 185 O LYS A 12 10.874 -5.013 -16.866 1.00 0.00 O ATOM 186 CB LYS A 12 10.946 -3.382 -13.956 1.00 0.00 C ATOM 187 CG LYS A 12 11.231 -1.949 -13.491 1.00 0.00 C ATOM 188 CD LYS A 12 11.790 -1.957 -12.065 1.00 0.00 C ATOM 189 CE LYS A 12 12.051 -0.526 -11.585 1.00 0.00 C ATOM 190 NZ LYS A 12 12.570 -0.508 -10.207 1.00 0.00 N ATOM 0 H LYS A 12 8.582 -2.724 -14.061 1.00 0.00 H new ATOM 0 HA LYS A 12 10.653 -2.715 -15.966 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.385 -3.913 -13.187 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.886 -3.917 -14.092 1.00 0.00 H new ATOM 0 HG2 LYS A 12 11.943 -1.475 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.316 -1.358 -13.527 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.086 -2.449 -11.394 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.715 -2.532 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.765 -0.042 -12.251 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.127 0.050 -11.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.736 0.475 -9.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.877 -0.949 -9.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.464 -1.038 -10.166 1.00 0.00 H new ATOM 204 N TYR A 13 9.310 -5.694 -15.405 1.00 0.00 N ATOM 205 CA TYR A 13 9.120 -6.990 -16.045 1.00 0.00 C ATOM 206 C TYR A 13 8.627 -6.835 -17.480 1.00 0.00 C ATOM 207 O TYR A 13 9.272 -7.296 -18.416 1.00 0.00 O ATOM 208 CB TYR A 13 8.184 -7.857 -15.206 1.00 0.00 C ATOM 209 CG TYR A 13 8.923 -8.565 -14.099 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.702 -9.695 -14.399 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.801 -8.138 -12.768 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.371 -10.378 -13.374 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.519 -8.787 -11.753 1.00 0.00 C ATOM 214 CZ TYR A 13 10.319 -9.899 -12.057 1.00 0.00 C ATOM 215 OH TYR A 13 10.963 -10.569 -11.063 1.00 0.00 O ATOM 0 H TYR A 13 8.763 -5.560 -14.554 1.00 0.00 H new ATOM 0 HA TYR A 13 10.084 -7.496 -16.102 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.397 -7.235 -14.779 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.697 -8.592 -15.847 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.785 -10.038 -15.420 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.153 -7.309 -12.525 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.928 -11.276 -13.599 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.456 -8.430 -10.736 1.00 0.00 H new ATOM 0 HH TYR A 13 10.665 -10.229 -10.193 1.00 0.00 H new ATOM 225 N ALA A 14 7.483 -6.184 -17.646 1.00 0.00 N ATOM 226 CA ALA A 14 6.846 -5.920 -18.922 1.00 0.00 C ATOM 227 C ALA A 14 7.852 -5.430 -19.967 1.00 0.00 C ATOM 228 O ALA A 14 7.995 -6.027 -21.035 1.00 0.00 O ATOM 229 CB ALA A 14 5.722 -4.916 -18.662 1.00 0.00 C ATOM 0 H ALA A 14 6.954 -5.811 -16.858 1.00 0.00 H new ATOM 0 HA ALA A 14 6.430 -6.835 -19.345 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.214 -4.688 -19.599 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.009 -5.343 -17.957 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.141 -4.001 -18.245 1.00 0.00 H new ATOM 235 N ALA A 15 8.609 -4.386 -19.620 1.00 0.00 N ATOM 236 CA ALA A 15 9.658 -3.820 -20.460 1.00 0.00 C ATOM 237 C ALA A 15 10.632 -4.866 -21.018 1.00 0.00 C ATOM 238 O ALA A 15 11.145 -4.685 -22.122 1.00 0.00 O ATOM 239 CB ALA A 15 10.412 -2.742 -19.677 1.00 0.00 C ATOM 0 H ALA A 15 8.504 -3.903 -18.728 1.00 0.00 H new ATOM 0 HA ALA A 15 9.168 -3.381 -21.329 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.196 -2.318 -20.304 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.718 -1.955 -19.382 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.859 -3.184 -18.787 1.00 0.00 H new ATOM 329 N GLN A 22 2.873 -4.155 -20.571 1.00 0.00 N ATOM 330 CA GLN A 22 2.277 -5.489 -20.710 1.00 0.00 C ATOM 331 C GLN A 22 3.168 -6.696 -20.402 1.00 0.00 C ATOM 332 O GLN A 22 4.340 -6.721 -20.760 1.00 0.00 O ATOM 333 CB GLN A 22 1.669 -5.614 -22.111 1.00 0.00 C ATOM 334 CG GLN A 22 0.152 -5.711 -21.971 1.00 0.00 C ATOM 335 CD GLN A 22 -0.558 -5.485 -23.300 1.00 0.00 C ATOM 336 OE1 GLN A 22 0.006 -5.702 -24.365 1.00 0.00 O ATOM 337 NE2 GLN A 22 -1.794 -5.001 -23.258 1.00 0.00 N ATOM 0 HA GLN A 22 1.525 -5.539 -19.923 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.939 -4.751 -22.720 1.00 0.00 H new ATOM 0 HB3 GLN A 22 2.060 -6.497 -22.617 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.114 -6.693 -21.580 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.193 -4.975 -21.245 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.244 -4.828 -22.359 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.294 -4.802 -24.125 1.00 0.00 H new ATOM 346 N LEU A 23 2.569 -7.725 -19.780 1.00 0.00 N ATOM 347 CA LEU A 23 3.202 -9.002 -19.460 1.00 0.00 C ATOM 348 C LEU A 23 2.602 -10.126 -20.312 1.00 0.00 C ATOM 349 O LEU A 23 1.392 -10.338 -20.277 1.00 0.00 O ATOM 350 CB LEU A 23 2.948 -9.352 -17.984 1.00 0.00 C ATOM 351 CG LEU A 23 3.402 -8.302 -16.966 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.902 -8.703 -15.584 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.911 -8.195 -16.866 1.00 0.00 C ATOM 0 H LEU A 23 1.596 -7.682 -19.478 1.00 0.00 H new ATOM 0 HA LEU A 23 4.270 -8.909 -19.659 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.880 -9.525 -17.849 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.454 -10.291 -17.760 1.00 0.00 H new ATOM 0 HG LEU A 23 2.999 -7.346 -17.301 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.221 -7.961 -14.852 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.814 -8.759 -15.593 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.314 -9.676 -15.316 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.174 -7.436 -16.130 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.324 -9.156 -16.560 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.321 -7.916 -17.837 1.00 0.00 H new ATOM 365 N SER A 24 3.420 -10.897 -21.029 1.00 0.00 N ATOM 366 CA SER A 24 2.963 -12.119 -21.680 1.00 0.00 C ATOM 367 C SER A 24 2.704 -13.193 -20.625 1.00 0.00 C ATOM 368 O SER A 24 3.081 -13.008 -19.475 1.00 0.00 O ATOM 369 CB SER A 24 4.074 -12.587 -22.619 1.00 0.00 C ATOM 370 OG SER A 24 5.260 -12.807 -21.867 1.00 0.00 O ATOM 0 H SER A 24 4.409 -10.692 -21.173 1.00 0.00 H new ATOM 0 HA SER A 24 2.041 -11.938 -22.233 1.00 0.00 H new ATOM 0 HB2 SER A 24 3.775 -13.504 -23.126 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.253 -11.839 -23.392 1.00 0.00 H new ATOM 0 HG SER A 24 5.975 -13.109 -22.465 1.00 0.00 H new ATOM 376 N LYS A 25 2.112 -14.335 -20.991 1.00 0.00 N ATOM 377 CA LYS A 25 2.062 -15.493 -20.102 1.00 0.00 C ATOM 378 C LYS A 25 3.435 -15.786 -19.498 1.00 0.00 C ATOM 379 O LYS A 25 3.540 -16.027 -18.299 1.00 0.00 O ATOM 380 CB LYS A 25 1.554 -16.745 -20.822 1.00 0.00 C ATOM 381 CG LYS A 25 0.187 -16.553 -21.484 1.00 0.00 C ATOM 382 CD LYS A 25 -0.593 -17.867 -21.621 1.00 0.00 C ATOM 383 CE LYS A 25 0.099 -18.868 -22.551 1.00 0.00 C ATOM 384 NZ LYS A 25 -0.687 -20.109 -22.674 1.00 0.00 N ATOM 0 H LYS A 25 1.663 -14.479 -21.895 1.00 0.00 H new ATOM 0 HA LYS A 25 1.362 -15.240 -19.305 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.279 -17.038 -21.581 1.00 0.00 H new ATOM 0 HB3 LYS A 25 1.491 -17.566 -20.108 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.400 -15.846 -20.898 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.324 -16.112 -22.471 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.716 -18.317 -20.636 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -1.592 -17.654 -22.001 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.235 -18.421 -23.536 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.092 -19.100 -22.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.690 -20.421 -23.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.262 -20.849 -22.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.664 -19.934 -22.363 1.00 0.00 H new ATOM 398 N GLU A 26 4.486 -15.763 -20.322 1.00 0.00 N ATOM 399 CA GLU A 26 5.835 -16.025 -19.852 1.00 0.00 C ATOM 400 C GLU A 26 6.246 -14.971 -18.824 1.00 0.00 C ATOM 401 O GLU A 26 6.682 -15.314 -17.728 1.00 0.00 O ATOM 402 CB GLU A 26 6.804 -16.087 -21.042 1.00 0.00 C ATOM 403 CG GLU A 26 8.223 -16.498 -20.616 1.00 0.00 C ATOM 404 CD GLU A 26 8.256 -17.889 -19.986 1.00 0.00 C ATOM 405 OE1 GLU A 26 8.069 -18.860 -20.751 1.00 0.00 O ATOM 406 OE2 GLU A 26 8.451 -17.955 -18.754 1.00 0.00 O ATOM 0 H GLU A 26 4.421 -15.564 -21.320 1.00 0.00 H new ATOM 0 HA GLU A 26 5.869 -16.994 -19.354 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.428 -16.797 -21.778 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.841 -15.113 -21.529 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.881 -16.479 -21.485 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.612 -15.770 -19.905 1.00 0.00 H new ATOM 413 N GLU A 27 6.106 -13.687 -19.165 1.00 0.00 N ATOM 414 CA GLU A 27 6.511 -12.611 -18.269 1.00 0.00 C ATOM 415 C GLU A 27 5.707 -12.675 -16.957 1.00 0.00 C ATOM 416 O GLU A 27 6.252 -12.517 -15.865 1.00 0.00 O ATOM 417 CB GLU A 27 6.354 -11.268 -19.000 1.00 0.00 C ATOM 418 CG GLU A 27 7.291 -10.185 -18.448 1.00 0.00 C ATOM 419 CD GLU A 27 8.746 -10.406 -18.849 1.00 0.00 C ATOM 420 OE1 GLU A 27 8.996 -10.482 -20.072 1.00 0.00 O ATOM 421 OE2 GLU A 27 9.581 -10.504 -17.926 1.00 0.00 O ATOM 0 H GLU A 27 5.716 -13.372 -20.053 1.00 0.00 H new ATOM 0 HA GLU A 27 7.560 -12.720 -17.992 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.554 -11.410 -20.062 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.322 -10.929 -18.913 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.964 -9.209 -18.807 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.217 -10.166 -17.361 1.00 0.00 H new ATOM 428 N LEU A 28 4.401 -12.934 -17.076 1.00 0.00 N ATOM 429 CA LEU A 28 3.461 -13.082 -15.978 1.00 0.00 C ATOM 430 C LEU A 28 3.899 -14.237 -15.077 1.00 0.00 C ATOM 431 O LEU A 28 3.986 -14.097 -13.858 1.00 0.00 O ATOM 432 CB LEU A 28 2.046 -13.242 -16.561 1.00 0.00 C ATOM 433 CG LEU A 28 0.866 -13.311 -15.576 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.669 -14.716 -14.992 1.00 0.00 C ATOM 435 CD2 LEU A 28 0.948 -12.244 -14.482 1.00 0.00 C ATOM 0 H LEU A 28 3.957 -13.050 -17.987 1.00 0.00 H new ATOM 0 HA LEU A 28 3.445 -12.197 -15.341 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.867 -12.408 -17.239 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.033 -14.151 -17.163 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.025 -13.087 -16.162 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.176 -14.709 -14.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.473 -15.421 -15.799 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.570 -15.017 -14.457 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.091 -12.339 -13.816 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.867 -12.378 -13.912 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.945 -11.254 -14.938 1.00 0.00 H new ATOM 447 N LYS A 29 4.204 -15.392 -15.665 1.00 0.00 N ATOM 448 CA LYS A 29 4.719 -16.509 -14.900 1.00 0.00 C ATOM 449 C LYS A 29 6.026 -16.117 -14.202 1.00 0.00 C ATOM 450 O LYS A 29 6.221 -16.403 -13.021 1.00 0.00 O ATOM 451 CB LYS A 29 4.918 -17.704 -15.841 1.00 0.00 C ATOM 452 CG LYS A 29 5.154 -18.986 -15.047 1.00 0.00 C ATOM 453 CD LYS A 29 5.660 -20.106 -15.964 1.00 0.00 C ATOM 454 CE LYS A 29 5.795 -21.433 -15.209 1.00 0.00 C ATOM 455 NZ LYS A 29 4.489 -21.956 -14.767 1.00 0.00 N ATOM 0 H LYS A 29 4.102 -15.572 -16.664 1.00 0.00 H new ATOM 0 HA LYS A 29 4.009 -16.790 -14.122 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.041 -17.821 -16.477 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.767 -17.517 -16.499 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.880 -18.801 -14.256 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.228 -19.296 -14.563 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.973 -20.231 -16.801 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.626 -19.825 -16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.280 -22.167 -15.852 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.441 -21.292 -14.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.596 -22.944 -14.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.137 -21.384 -13.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.812 -21.909 -15.555 1.00 0.00 H new ATOM 469 N LEU A 30 6.950 -15.499 -14.937 1.00 0.00 N ATOM 470 CA LEU A 30 8.244 -15.062 -14.423 1.00 0.00 C ATOM 471 C LEU A 30 8.080 -14.213 -13.159 1.00 0.00 C ATOM 472 O LEU A 30 8.606 -14.580 -12.103 1.00 0.00 O ATOM 473 CB LEU A 30 9.054 -14.344 -15.512 1.00 0.00 C ATOM 474 CG LEU A 30 10.487 -13.999 -15.068 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.342 -15.251 -14.831 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.156 -13.136 -16.141 1.00 0.00 C ATOM 0 H LEU A 30 6.816 -15.285 -15.925 1.00 0.00 H new ATOM 0 HA LEU A 30 8.814 -15.945 -14.134 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.097 -14.974 -16.400 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.537 -13.427 -15.796 1.00 0.00 H new ATOM 0 HG LEU A 30 10.415 -13.460 -14.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.343 -14.954 -14.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.886 -15.861 -14.052 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.405 -15.828 -15.753 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.171 -12.890 -15.829 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.188 -13.685 -17.082 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.585 -12.217 -16.277 1.00 0.00 H new ATOM 488 N LEU A 31 7.368 -13.083 -13.236 1.00 0.00 N ATOM 489 CA LEU A 31 7.281 -12.222 -12.061 1.00 0.00 C ATOM 490 C LEU A 31 6.466 -12.866 -10.946 1.00 0.00 C ATOM 491 O LEU A 31 6.814 -12.690 -9.784 1.00 0.00 O ATOM 492 CB LEU A 31 6.907 -10.764 -12.361 1.00 0.00 C ATOM 493 CG LEU A 31 5.433 -10.362 -12.396 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.304 -8.845 -12.556 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.766 -11.006 -13.591 1.00 0.00 C ATOM 0 H LEU A 31 6.866 -12.757 -14.062 1.00 0.00 H new ATOM 0 HA LEU A 31 8.299 -12.133 -11.680 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.399 -10.140 -11.615 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.340 -10.507 -13.328 1.00 0.00 H new ATOM 0 HG LEU A 31 4.964 -10.684 -11.466 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.250 -8.570 -12.580 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.790 -8.348 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.781 -8.535 -13.486 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.714 -10.721 -13.618 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.256 -10.672 -14.505 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.846 -12.090 -13.512 1.00 0.00 H new ATOM 507 N LEU A 32 5.417 -13.636 -11.254 1.00 0.00 N ATOM 508 CA LEU A 32 4.692 -14.309 -10.183 1.00 0.00 C ATOM 509 C LEU A 32 5.587 -15.328 -9.484 1.00 0.00 C ATOM 510 O LEU A 32 5.615 -15.340 -8.260 1.00 0.00 O ATOM 511 CB LEU A 32 3.346 -14.872 -10.661 1.00 0.00 C ATOM 512 CG LEU A 32 2.220 -13.839 -10.490 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.607 -12.457 -11.019 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.987 -14.303 -11.258 1.00 0.00 C ATOM 0 H LEU A 32 5.065 -13.802 -12.197 1.00 0.00 H new ATOM 0 HA LEU A 32 4.425 -13.571 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.421 -15.162 -11.709 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.105 -15.773 -10.098 1.00 0.00 H new ATOM 0 HG LEU A 32 2.023 -13.758 -9.421 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.777 -11.766 -10.874 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.481 -12.092 -10.479 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.840 -12.526 -12.082 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.187 -13.572 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.233 -14.402 -12.315 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.658 -15.267 -10.870 1.00 0.00 H new ATOM 526 N GLN A 33 6.371 -16.128 -10.212 1.00 0.00 N ATOM 527 CA GLN A 33 7.355 -16.987 -9.564 1.00 0.00 C ATOM 528 C GLN A 33 8.285 -16.160 -8.678 1.00 0.00 C ATOM 529 O GLN A 33 8.466 -16.475 -7.506 1.00 0.00 O ATOM 530 CB GLN A 33 8.203 -17.737 -10.601 1.00 0.00 C ATOM 531 CG GLN A 33 7.464 -18.883 -11.296 1.00 0.00 C ATOM 532 CD GLN A 33 8.182 -19.302 -12.571 1.00 0.00 C ATOM 533 OE1 GLN A 33 8.244 -18.390 -13.530 1.00 0.00 O flip ATOM 534 NE2 GLN A 33 8.661 -20.423 -12.697 1.00 0.00 N flip ATOM 0 H GLN A 33 6.343 -16.196 -11.229 1.00 0.00 H new ATOM 0 HA GLN A 33 6.808 -17.709 -8.957 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.546 -17.029 -11.355 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.091 -18.135 -10.110 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.389 -19.735 -10.620 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.446 -18.573 -11.533 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.592 -21.096 -11.934 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.129 -20.683 -13.565 1.00 0.00 H new ATOM 543 N THR A 34 8.903 -15.129 -9.257 1.00 0.00 N ATOM 544 CA THR A 34 9.967 -14.404 -8.583 1.00 0.00 C ATOM 545 C THR A 34 9.436 -13.675 -7.344 1.00 0.00 C ATOM 546 O THR A 34 9.970 -13.838 -6.250 1.00 0.00 O ATOM 547 CB THR A 34 10.661 -13.459 -9.575 1.00 0.00 C ATOM 548 OG1 THR A 34 11.000 -14.164 -10.754 1.00 0.00 O ATOM 549 CG2 THR A 34 11.952 -12.892 -8.976 1.00 0.00 C ATOM 0 H THR A 34 8.681 -14.782 -10.190 1.00 0.00 H new ATOM 0 HA THR A 34 10.715 -15.111 -8.224 1.00 0.00 H new ATOM 0 HB THR A 34 9.971 -12.645 -9.798 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.205 -14.258 -11.319 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.426 -12.226 -9.697 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.718 -12.337 -8.068 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.632 -13.710 -8.737 1.00 0.00 H new ATOM 557 N GLU A 35 8.399 -12.851 -7.515 1.00 0.00 N ATOM 558 CA GLU A 35 7.860 -12.015 -6.461 1.00 0.00 C ATOM 559 C GLU A 35 6.910 -12.799 -5.543 1.00 0.00 C ATOM 560 O GLU A 35 6.893 -12.551 -4.340 1.00 0.00 O ATOM 561 CB GLU A 35 7.153 -10.805 -7.093 1.00 0.00 C ATOM 562 CG GLU A 35 7.974 -10.075 -8.170 1.00 0.00 C ATOM 563 CD GLU A 35 9.365 -9.653 -7.712 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.462 -9.104 -6.594 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.307 -9.872 -8.509 1.00 0.00 O ATOM 0 H GLU A 35 7.910 -12.751 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 35 8.680 -11.667 -5.833 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.214 -11.139 -7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.900 -10.096 -6.305 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.071 -10.724 -9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.425 -9.190 -8.492 1.00 0.00 H new ATOM 572 N PHE A 36 6.105 -13.718 -6.096 1.00 0.00 N ATOM 573 CA PHE A 36 4.996 -14.356 -5.384 1.00 0.00 C ATOM 574 C PHE A 36 5.005 -15.886 -5.529 1.00 0.00 C ATOM 575 O PHE A 36 4.043 -16.434 -6.073 1.00 0.00 O ATOM 576 CB PHE A 36 3.687 -13.789 -5.958 1.00 0.00 C ATOM 577 CG PHE A 36 3.614 -12.273 -6.015 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.972 -11.500 -4.895 1.00 0.00 C ATOM 579 CD2 PHE A 36 3.321 -11.633 -7.234 1.00 0.00 C ATOM 580 CE1 PHE A 36 4.160 -10.114 -5.028 1.00 0.00 C ATOM 581 CE2 PHE A 36 3.499 -10.246 -7.366 1.00 0.00 C ATOM 582 CZ PHE A 36 3.964 -9.495 -6.273 1.00 0.00 C ATOM 0 H PHE A 36 6.209 -14.040 -7.058 1.00 0.00 H new ATOM 0 HA PHE A 36 5.094 -14.143 -4.320 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.549 -14.182 -6.965 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.855 -14.155 -5.356 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.102 -11.972 -3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.958 -12.211 -8.071 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.455 -9.525 -4.173 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.279 -9.758 -8.304 1.00 0.00 H new ATOM 0 HZ PHE A 36 4.171 -8.442 -6.391 1.00 0.00 H new ATOM 726 N LEU A 46 -1.660 -22.106 -15.367 1.00 0.00 N ATOM 727 CA LEU A 46 -1.236 -20.773 -15.779 1.00 0.00 C ATOM 728 C LEU A 46 -2.131 -20.274 -16.905 1.00 0.00 C ATOM 729 O LEU A 46 -2.527 -19.115 -16.905 1.00 0.00 O ATOM 730 CB LEU A 46 0.219 -20.780 -16.267 1.00 0.00 C ATOM 731 CG LEU A 46 0.714 -19.373 -16.672 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.098 -18.555 -15.434 1.00 0.00 C ATOM 733 CD2 LEU A 46 1.926 -19.519 -17.596 1.00 0.00 C ATOM 0 HA LEU A 46 -1.313 -20.114 -14.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.861 -21.175 -15.480 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.310 -21.453 -17.120 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.089 -18.848 -17.190 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.444 -17.568 -15.743 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.229 -18.448 -14.784 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.895 -19.066 -14.893 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.283 -18.531 -17.887 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.720 -20.052 -17.073 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.639 -20.078 -18.487 1.00 0.00 H new ATOM 745 N ASP A 47 -2.436 -21.136 -17.873 1.00 0.00 N ATOM 746 CA ASP A 47 -3.269 -20.776 -19.004 1.00 0.00 C ATOM 747 C ASP A 47 -4.620 -20.244 -18.521 1.00 0.00 C ATOM 748 O ASP A 47 -5.052 -19.168 -18.924 1.00 0.00 O ATOM 749 CB ASP A 47 -3.435 -22.006 -19.893 1.00 0.00 C ATOM 750 CG ASP A 47 -4.219 -21.660 -21.152 1.00 0.00 C ATOM 751 OD1 ASP A 47 -3.587 -21.094 -22.070 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.432 -21.958 -21.167 1.00 0.00 O ATOM 0 H ASP A 47 -2.109 -22.102 -17.890 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.799 -19.980 -19.582 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.455 -22.399 -20.165 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.951 -22.792 -19.342 1.00 0.00 H new ATOM 757 N GLU A 48 -5.264 -20.997 -17.626 1.00 0.00 N ATOM 758 CA GLU A 48 -6.564 -20.651 -17.074 1.00 0.00 C ATOM 759 C GLU A 48 -6.458 -19.358 -16.264 1.00 0.00 C ATOM 760 O GLU A 48 -7.198 -18.406 -16.500 1.00 0.00 O ATOM 761 CB GLU A 48 -7.085 -21.806 -16.207 1.00 0.00 C ATOM 762 CG GLU A 48 -7.215 -23.112 -17.003 1.00 0.00 C ATOM 763 CD GLU A 48 -7.714 -24.244 -16.112 1.00 0.00 C ATOM 764 OE1 GLU A 48 -6.866 -24.801 -15.380 1.00 0.00 O ATOM 765 OE2 GLU A 48 -8.931 -24.523 -16.168 1.00 0.00 O ATOM 0 H GLU A 48 -4.888 -21.873 -17.264 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.273 -20.487 -17.886 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.410 -21.960 -15.366 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.056 -21.537 -15.791 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.904 -22.968 -17.835 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.249 -23.379 -17.431 1.00 0.00 H new ATOM 772 N LEU A 49 -5.521 -19.328 -15.311 1.00 0.00 N ATOM 773 CA LEU A 49 -5.267 -18.168 -14.469 1.00 0.00 C ATOM 774 C LEU A 49 -5.105 -16.931 -15.351 1.00 0.00 C ATOM 775 O LEU A 49 -5.854 -15.968 -15.220 1.00 0.00 O ATOM 776 CB LEU A 49 -4.024 -18.429 -13.602 1.00 0.00 C ATOM 777 CG LEU A 49 -3.584 -17.225 -12.750 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.685 -16.776 -11.780 1.00 0.00 C ATOM 779 CD2 LEU A 49 -2.327 -17.600 -11.957 1.00 0.00 C ATOM 0 H LEU A 49 -4.914 -20.121 -15.105 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.107 -17.990 -13.797 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.226 -19.272 -12.942 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.198 -18.722 -14.250 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.377 -16.394 -13.424 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.332 -15.924 -11.198 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.572 -16.488 -12.344 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.934 -17.597 -11.107 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.012 -16.750 -11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.546 -18.447 -11.307 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.528 -17.870 -12.648 1.00 0.00 H new ATOM 791 N PHE A 50 -4.143 -16.982 -16.274 1.00 0.00 N ATOM 792 CA PHE A 50 -3.880 -15.924 -17.228 1.00 0.00 C ATOM 793 C PHE A 50 -5.146 -15.532 -17.985 1.00 0.00 C ATOM 794 O PHE A 50 -5.446 -14.352 -18.081 1.00 0.00 O ATOM 795 CB PHE A 50 -2.779 -16.353 -18.197 1.00 0.00 C ATOM 796 CG PHE A 50 -2.222 -15.202 -19.003 1.00 0.00 C ATOM 797 CD1 PHE A 50 -2.769 -14.862 -20.254 1.00 0.00 C ATOM 798 CD2 PHE A 50 -1.105 -14.503 -18.517 1.00 0.00 C ATOM 799 CE1 PHE A 50 -2.133 -13.895 -21.051 1.00 0.00 C ATOM 800 CE2 PHE A 50 -0.488 -13.519 -19.303 1.00 0.00 C ATOM 801 CZ PHE A 50 -0.985 -13.232 -20.582 1.00 0.00 C ATOM 0 H PHE A 50 -3.516 -17.781 -16.374 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.542 -15.045 -16.679 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.971 -16.821 -17.636 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.174 -17.108 -18.877 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -3.673 -15.342 -20.600 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.719 -14.724 -17.533 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.528 -13.660 -22.028 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.369 -12.983 -18.923 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.488 -12.504 -21.205 1.00 0.00 H new ATOM 811 N GLU A 51 -5.892 -16.499 -18.524 1.00 0.00 N ATOM 812 CA GLU A 51 -7.121 -16.214 -19.255 1.00 0.00 C ATOM 813 C GLU A 51 -8.101 -15.407 -18.398 1.00 0.00 C ATOM 814 O GLU A 51 -8.675 -14.424 -18.860 1.00 0.00 O ATOM 815 CB GLU A 51 -7.735 -17.530 -19.755 1.00 0.00 C ATOM 816 CG GLU A 51 -8.948 -17.300 -20.664 1.00 0.00 C ATOM 817 CD GLU A 51 -9.495 -18.623 -21.192 1.00 0.00 C ATOM 818 OE1 GLU A 51 -9.987 -19.408 -20.352 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.406 -18.831 -22.422 1.00 0.00 O ATOM 0 H GLU A 51 -5.661 -17.491 -18.465 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.889 -15.595 -20.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.979 -18.097 -20.299 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.035 -18.136 -18.900 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.727 -16.775 -20.111 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.664 -16.660 -21.500 1.00 0.00 H new ATOM 826 N GLU A 52 -8.290 -15.822 -17.145 1.00 0.00 N ATOM 827 CA GLU A 52 -9.254 -15.193 -16.249 1.00 0.00 C ATOM 828 C GLU A 52 -8.769 -13.807 -15.825 1.00 0.00 C ATOM 829 O GLU A 52 -9.551 -12.865 -15.728 1.00 0.00 O ATOM 830 CB GLU A 52 -9.498 -16.093 -15.028 1.00 0.00 C ATOM 831 CG GLU A 52 -10.217 -17.398 -15.405 1.00 0.00 C ATOM 832 CD GLU A 52 -11.629 -17.149 -15.925 1.00 0.00 C ATOM 833 OE1 GLU A 52 -12.467 -16.722 -15.100 1.00 0.00 O ATOM 834 OE2 GLU A 52 -11.843 -17.377 -17.134 1.00 0.00 O ATOM 0 H GLU A 52 -7.781 -16.600 -16.726 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.199 -15.066 -16.777 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.544 -16.329 -14.556 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.093 -15.552 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -9.639 -17.923 -16.166 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -10.263 -18.051 -14.533 1.00 0.00 H new ATOM 841 N LEU A 53 -7.471 -13.696 -15.551 1.00 0.00 N ATOM 842 CA LEU A 53 -6.793 -12.465 -15.181 1.00 0.00 C ATOM 843 C LEU A 53 -6.910 -11.453 -16.328 1.00 0.00 C ATOM 844 O LEU A 53 -7.375 -10.326 -16.154 1.00 0.00 O ATOM 845 CB LEU A 53 -5.334 -12.859 -14.891 1.00 0.00 C ATOM 846 CG LEU A 53 -4.430 -11.843 -14.188 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.025 -12.463 -14.147 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.375 -10.481 -14.878 1.00 0.00 C ATOM 0 H LEU A 53 -6.841 -14.497 -15.583 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.230 -11.987 -14.304 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.349 -13.765 -14.285 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.866 -13.119 -15.840 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.834 -11.646 -13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.338 -11.776 -13.653 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.058 -13.402 -13.595 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.681 -12.652 -15.164 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.715 -9.817 -14.320 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.995 -10.602 -15.893 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.376 -10.051 -14.914 1.00 0.00 H new ATOM 860 N ASP A 54 -6.463 -11.860 -17.514 1.00 0.00 N ATOM 861 CA ASP A 54 -6.263 -11.027 -18.687 1.00 0.00 C ATOM 862 C ASP A 54 -7.574 -10.777 -19.439 1.00 0.00 C ATOM 863 O ASP A 54 -7.652 -10.991 -20.649 1.00 0.00 O ATOM 864 CB ASP A 54 -5.238 -11.732 -19.588 1.00 0.00 C ATOM 865 CG ASP A 54 -4.621 -10.807 -20.625 1.00 0.00 C ATOM 866 OD1 ASP A 54 -4.995 -9.617 -20.642 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.777 -11.311 -21.394 1.00 0.00 O ATOM 0 H ASP A 54 -6.218 -12.835 -17.687 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.895 -10.047 -18.383 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.446 -12.153 -18.968 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.722 -12.566 -20.096 1.00 0.00 H new ATOM 872 N LYS A 55 -8.598 -10.323 -18.718 1.00 0.00 N ATOM 873 CA LYS A 55 -9.972 -10.236 -19.202 1.00 0.00 C ATOM 874 C LYS A 55 -10.095 -9.546 -20.565 1.00 0.00 C ATOM 875 O LYS A 55 -10.852 -10.001 -21.419 1.00 0.00 O ATOM 876 CB LYS A 55 -10.854 -9.529 -18.162 1.00 0.00 C ATOM 877 CG LYS A 55 -10.895 -10.306 -16.840 1.00 0.00 C ATOM 878 CD LYS A 55 -11.938 -9.714 -15.884 1.00 0.00 C ATOM 879 CE LYS A 55 -11.820 -10.337 -14.487 1.00 0.00 C ATOM 880 NZ LYS A 55 -11.930 -11.807 -14.522 1.00 0.00 N ATOM 0 H LYS A 55 -8.491 -9.998 -17.757 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.317 -11.260 -19.346 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.473 -8.524 -17.983 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.865 -9.421 -18.554 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -11.130 -11.352 -17.037 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -9.912 -10.283 -16.370 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.804 -8.634 -15.817 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.939 -9.887 -16.280 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.864 -10.056 -14.045 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -12.600 -9.931 -13.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.015 -12.172 -13.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.771 -12.079 -15.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.081 -12.208 -14.969 1.00 0.00 H new ATOM 923 N GLY A 59 -4.006 -12.428 -23.906 1.00 0.00 N ATOM 924 CA GLY A 59 -2.778 -12.622 -24.659 1.00 0.00 C ATOM 925 C GLY A 59 -1.624 -11.915 -23.954 1.00 0.00 C ATOM 926 O GLY A 59 -0.577 -12.518 -23.722 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.562 -13.686 -24.753 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.894 -12.230 -25.669 1.00 0.00 H new ATOM 930 N GLU A 60 -1.834 -10.649 -23.583 1.00 0.00 N ATOM 931 CA GLU A 60 -0.884 -9.834 -22.840 1.00 0.00 C ATOM 932 C GLU A 60 -1.625 -9.116 -21.704 1.00 0.00 C ATOM 933 O GLU A 60 -2.617 -8.439 -21.955 1.00 0.00 O ATOM 934 CB GLU A 60 -0.244 -8.817 -23.794 1.00 0.00 C ATOM 935 CG GLU A 60 0.583 -9.442 -24.929 1.00 0.00 C ATOM 936 CD GLU A 60 1.840 -10.141 -24.423 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.545 -9.517 -23.600 1.00 0.00 O ATOM 938 OE2 GLU A 60 2.080 -11.285 -24.866 1.00 0.00 O ATOM 0 H GLU A 60 -2.698 -10.153 -23.801 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.099 -10.458 -22.412 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.031 -8.202 -24.231 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.398 -8.151 -23.218 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.034 -10.159 -25.471 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.865 -8.664 -25.639 1.00 0.00 H new ATOM 945 N VAL A 61 -1.128 -9.232 -20.470 1.00 0.00 N ATOM 946 CA VAL A 61 -1.743 -8.698 -19.263 1.00 0.00 C ATOM 947 C VAL A 61 -1.276 -7.260 -19.072 1.00 0.00 C ATOM 948 O VAL A 61 -0.092 -7.016 -18.829 1.00 0.00 O ATOM 949 CB VAL A 61 -1.352 -9.574 -18.052 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.706 -8.919 -16.710 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.105 -10.899 -18.122 1.00 0.00 C ATOM 0 H VAL A 61 -0.252 -9.720 -20.282 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.829 -8.709 -19.352 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.272 -9.712 -18.101 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.409 -9.578 -15.894 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.180 -7.969 -16.619 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.781 -8.744 -16.663 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.831 -11.519 -17.268 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.178 -10.709 -18.103 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.845 -11.417 -19.045 1.00 0.00 H new ATOM 961 N SER A 62 -2.215 -6.318 -19.180 1.00 0.00 N ATOM 962 CA SER A 62 -2.003 -4.901 -18.926 1.00 0.00 C ATOM 963 C SER A 62 -1.979 -4.631 -17.427 1.00 0.00 C ATOM 964 O SER A 62 -2.599 -5.370 -16.666 1.00 0.00 O ATOM 965 CB SER A 62 -3.096 -4.091 -19.634 1.00 0.00 C ATOM 966 OG SER A 62 -3.343 -4.631 -20.920 1.00 0.00 O ATOM 0 H SER A 62 -3.173 -6.533 -19.456 1.00 0.00 H new ATOM 0 HA SER A 62 -1.036 -4.593 -19.325 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.011 -4.105 -19.043 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.789 -3.049 -19.721 1.00 0.00 H new ATOM 0 HG SER A 62 -3.970 -5.380 -20.845 1.00 0.00 H new ATOM 972 N PHE A 63 -1.303 -3.560 -16.993 1.00 0.00 N ATOM 973 CA PHE A 63 -1.198 -3.197 -15.581 1.00 0.00 C ATOM 974 C PHE A 63 -2.564 -3.220 -14.891 1.00 0.00 C ATOM 975 O PHE A 63 -2.707 -3.698 -13.768 1.00 0.00 O ATOM 976 CB PHE A 63 -0.556 -1.813 -15.433 1.00 0.00 C ATOM 977 CG PHE A 63 -0.521 -1.324 -13.997 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.126 -2.095 -13.014 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.278 -0.198 -13.616 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.013 -1.747 -11.657 1.00 0.00 C ATOM 981 CE2 PHE A 63 -1.363 0.167 -12.262 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.713 -0.603 -11.283 1.00 0.00 C ATOM 0 H PHE A 63 -0.812 -2.920 -17.618 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.565 -3.939 -15.095 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.461 -1.847 -15.824 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.108 -1.096 -16.041 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.711 -2.956 -13.303 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.793 0.385 -14.365 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.484 -2.359 -10.902 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.929 1.041 -11.973 1.00 0.00 H new ATOM 0 HZ PHE A 63 -0.771 -0.316 -10.243 1.00 0.00 H new ATOM 992 N GLU A 64 -3.583 -2.722 -15.585 1.00 0.00 N ATOM 993 CA GLU A 64 -4.931 -2.627 -15.055 1.00 0.00 C ATOM 994 C GLU A 64 -5.503 -4.020 -14.786 1.00 0.00 C ATOM 995 O GLU A 64 -6.225 -4.223 -13.814 1.00 0.00 O ATOM 996 CB GLU A 64 -5.821 -1.835 -16.028 1.00 0.00 C ATOM 997 CG GLU A 64 -5.371 -0.376 -16.236 1.00 0.00 C ATOM 998 CD GLU A 64 -4.046 -0.217 -16.984 1.00 0.00 C ATOM 999 OE1 GLU A 64 -3.738 -1.104 -17.812 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -3.338 0.768 -16.681 1.00 0.00 O ATOM 0 H GLU A 64 -3.491 -2.371 -16.538 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.903 -2.094 -14.105 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.831 -2.343 -16.992 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.845 -1.840 -15.655 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.149 0.155 -16.785 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.283 0.105 -15.262 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.166 -4.983 -15.644 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.585 -6.363 -15.478 1.00 0.00 C ATOM 1009 C GLU A 65 -4.752 -6.983 -14.356 1.00 0.00 C ATOM 1010 O GLU A 65 -5.288 -7.621 -13.454 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.435 -7.096 -16.816 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.285 -6.412 -17.897 1.00 0.00 C ATOM 1013 CD GLU A 65 -6.017 -6.992 -19.278 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -4.938 -6.672 -19.827 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -6.906 -7.726 -19.761 1.00 0.00 O ATOM 0 H GLU A 65 -4.594 -4.822 -16.473 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.634 -6.438 -15.193 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.388 -7.104 -17.118 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.743 -8.136 -16.705 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.342 -6.525 -17.654 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.072 -5.343 -17.904 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.440 -6.735 -14.371 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.531 -7.153 -13.313 1.00 0.00 C ATOM 1024 C PHE A 66 -3.057 -6.709 -11.951 1.00 0.00 C ATOM 1025 O PHE A 66 -3.015 -7.473 -10.994 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.126 -6.605 -13.567 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.084 -7.122 -12.601 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.509 -8.379 -12.813 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.349 -6.314 -11.533 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.559 -8.808 -11.986 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.409 -6.739 -10.716 1.00 0.00 C ATOM 1032 CZ PHE A 66 2.022 -7.979 -10.951 1.00 0.00 C ATOM 0 H PHE A 66 -2.979 -6.232 -15.129 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.473 -8.241 -13.313 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.825 -6.861 -14.583 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.155 -5.517 -13.508 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.157 -9.014 -13.612 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.134 -5.367 -11.342 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.011 -9.776 -12.146 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.752 -6.111 -9.907 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.851 -8.296 -10.335 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.601 -5.495 -11.854 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.171 -4.995 -10.614 1.00 0.00 C ATOM 1044 C GLN A 67 -5.251 -5.939 -10.057 1.00 0.00 C ATOM 1045 O GLN A 67 -5.377 -6.081 -8.843 1.00 0.00 O ATOM 1046 CB GLN A 67 -4.693 -3.565 -10.824 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.896 -2.799 -9.507 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.625 -2.654 -8.670 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -3.662 -2.779 -7.452 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.482 -2.394 -9.301 1.00 0.00 N ATOM 0 H GLN A 67 -3.656 -4.838 -12.632 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.388 -4.963 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.991 -3.017 -11.452 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -5.639 -3.605 -11.364 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.286 -1.806 -9.732 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.653 -3.311 -8.914 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -2.471 -2.293 -10.316 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.617 -2.295 -8.770 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.010 -6.628 -10.918 1.00 0.00 N ATOM 1060 CA VAL A 68 -6.945 -7.652 -10.455 1.00 0.00 C ATOM 1061 C VAL A 68 -6.175 -8.772 -9.742 1.00 0.00 C ATOM 1062 O VAL A 68 -6.587 -9.241 -8.683 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.808 -8.189 -11.613 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.885 -9.147 -11.086 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.502 -7.046 -12.369 1.00 0.00 C ATOM 0 H VAL A 68 -5.993 -6.495 -11.929 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.634 -7.204 -9.739 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.139 -8.717 -12.293 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.484 -9.515 -11.919 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.409 -9.988 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.529 -8.619 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.103 -7.458 -13.180 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.146 -6.495 -11.684 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.750 -6.373 -12.781 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.029 -9.178 -10.293 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.133 -10.115 -9.629 1.00 0.00 C ATOM 1077 C LEU A 69 -3.660 -9.496 -8.308 1.00 0.00 C ATOM 1078 O LEU A 69 -3.682 -10.156 -7.272 1.00 0.00 O ATOM 1079 CB LEU A 69 -2.976 -10.490 -10.574 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.304 -11.855 -10.346 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.533 -11.934 -9.027 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -3.275 -13.039 -10.445 1.00 0.00 C ATOM 0 H LEU A 69 -4.701 -8.866 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.648 -11.045 -9.388 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.352 -10.464 -11.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.211 -9.718 -10.496 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.590 -11.936 -11.166 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.083 -12.922 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.750 -11.176 -9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.216 -11.761 -8.195 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.733 -13.969 -10.274 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.058 -12.931 -9.694 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.725 -13.059 -11.438 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.282 -8.213 -8.310 1.00 0.00 N ATOM 1095 CA VAL A 70 -2.880 -7.519 -7.092 1.00 0.00 C ATOM 1096 C VAL A 70 -3.956 -7.614 -6.003 1.00 0.00 C ATOM 1097 O VAL A 70 -3.622 -7.824 -4.839 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.442 -6.068 -7.352 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.106 -5.362 -6.033 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.218 -6.023 -8.276 1.00 0.00 C ATOM 0 H VAL A 70 -3.248 -7.635 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.997 -8.036 -6.717 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.272 -5.554 -7.836 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.798 -4.337 -6.237 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.986 -5.355 -5.389 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.295 -5.892 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.927 -4.986 -8.445 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.391 -6.560 -7.811 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.464 -6.491 -9.229 1.00 0.00 H new