USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 560 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.012 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.2!) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.126 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -166:sc=-0.00985 (180deg=-0.161) USER MOD Single : A 41 MET CE :methyl -158:sc= -0.0179 (180deg=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -0.0772 K(o=-0.077,f=-0.93) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -105:sc= -1.47! (180deg=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -0.0486 X(o=-0.049,f=-0.049) USER MOD Single : A 67 GLN : amide:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N PRO A 8 -3.272 -12.361 -0.844 1.00 0.00 N ATOM 67 CA PRO A 8 -3.304 -11.440 -1.983 1.00 0.00 C ATOM 68 C PRO A 8 -2.429 -10.210 -1.761 1.00 0.00 C ATOM 69 O PRO A 8 -2.518 -9.553 -0.723 1.00 0.00 O ATOM 70 CB PRO A 8 -4.779 -11.038 -2.074 1.00 0.00 C ATOM 71 CG PRO A 8 -5.306 -11.224 -0.693 1.00 0.00 C ATOM 72 CD PRO A 8 -4.549 -12.387 -0.114 1.00 0.00 C ATOM 0 HA PRO A 8 -2.917 -11.903 -2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -4.889 -10.005 -2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.316 -11.660 -2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.158 -10.325 -0.094 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.377 -11.424 -0.708 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.400 -12.275 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.079 -13.327 -0.266 1.00 0.00 H new ATOM 80 N LYS A 9 -1.586 -9.905 -2.740 1.00 0.00 N ATOM 81 CA LYS A 9 -0.695 -8.752 -2.652 1.00 0.00 C ATOM 82 C LYS A 9 -1.490 -7.451 -2.640 1.00 0.00 C ATOM 83 O LYS A 9 -2.075 -7.060 -3.649 1.00 0.00 O ATOM 84 CB LYS A 9 0.287 -8.751 -3.825 1.00 0.00 C ATOM 85 CG LYS A 9 1.458 -7.802 -3.637 1.00 0.00 C ATOM 86 CD LYS A 9 2.077 -7.408 -4.968 1.00 0.00 C ATOM 87 CE LYS A 9 2.869 -8.555 -5.575 1.00 0.00 C ATOM 88 NZ LYS A 9 3.730 -8.099 -6.701 1.00 0.00 N ATOM 0 H LYS A 9 -1.500 -10.439 -3.605 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.137 -8.825 -1.719 1.00 0.00 H new ATOM 0 HB2 LYS A 9 0.669 -9.762 -3.969 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.248 -8.479 -4.735 1.00 0.00 H new ATOM 0 HG2 LYS A 9 1.122 -6.908 -3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.213 -8.275 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 9 1.292 -7.101 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.731 -6.548 -4.826 1.00 0.00 H new ATOM 0 HE2 LYS A 9 3.490 -9.015 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.182 -9.323 -5.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.254 -8.910 -7.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.136 -7.683 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.403 -7.385 -6.356 1.00 0.00 H new ATOM 102 N ALA A 10 -1.505 -6.783 -1.490 1.00 0.00 N ATOM 103 CA ALA A 10 -2.225 -5.524 -1.348 1.00 0.00 C ATOM 104 C ALA A 10 -1.777 -4.514 -2.400 1.00 0.00 C ATOM 105 O ALA A 10 -0.631 -4.068 -2.418 1.00 0.00 O ATOM 106 CB ALA A 10 -2.024 -4.957 0.050 1.00 0.00 C ATOM 0 H ALA A 10 -1.027 -7.093 -0.644 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.286 -5.721 -1.500 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.567 -4.016 0.143 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.399 -5.667 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.962 -4.781 0.222 1.00 0.00 H new ATOM 112 N PRO A 11 -2.703 -4.144 -3.297 1.00 0.00 N ATOM 113 CA PRO A 11 -2.426 -3.184 -4.369 1.00 0.00 C ATOM 114 C PRO A 11 -2.231 -1.767 -3.841 1.00 0.00 C ATOM 115 O PRO A 11 -2.913 -1.342 -2.908 1.00 0.00 O ATOM 116 CB PRO A 11 -3.679 -3.260 -5.247 1.00 0.00 C ATOM 117 CG PRO A 11 -4.755 -3.724 -4.328 1.00 0.00 C ATOM 118 CD PRO A 11 -4.090 -4.637 -3.335 1.00 0.00 C ATOM 0 HA PRO A 11 -1.503 -3.420 -4.899 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.919 -2.289 -5.680 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.540 -3.953 -6.077 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.229 -2.881 -3.826 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.537 -4.249 -4.877 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -4.564 -4.579 -2.355 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.138 -5.679 -3.652 1.00 0.00 H new ATOM 126 N VAL A 12 -1.298 -1.037 -4.443 1.00 0.00 N ATOM 127 CA VAL A 12 -1.014 0.333 -4.034 1.00 0.00 C ATOM 128 C VAL A 12 -2.262 1.203 -4.127 1.00 0.00 C ATOM 129 O VAL A 12 -2.956 1.208 -5.145 1.00 0.00 O ATOM 130 CB VAL A 12 0.098 0.957 -4.897 1.00 0.00 C ATOM 131 CG1 VAL A 12 1.401 0.191 -4.725 1.00 0.00 C ATOM 132 CG2 VAL A 12 -0.319 0.996 -6.359 1.00 0.00 C ATOM 0 H VAL A 12 -0.725 -1.372 -5.217 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.679 0.291 -2.998 1.00 0.00 H new ATOM 0 HB VAL A 12 0.260 1.982 -4.563 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.175 0.647 -5.343 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.706 0.222 -3.679 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.257 -0.845 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.479 1.440 -6.953 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.511 -0.018 -6.710 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.224 1.594 -6.463 1.00 0.00 H new ATOM 142 N THR A 13 -2.545 1.940 -3.058 1.00 0.00 N ATOM 143 CA THR A 13 -3.711 2.815 -3.017 1.00 0.00 C ATOM 144 C THR A 13 -3.507 4.042 -3.897 1.00 0.00 C ATOM 145 O THR A 13 -2.377 4.403 -4.227 1.00 0.00 O ATOM 146 CB THR A 13 -4.020 3.273 -1.579 1.00 0.00 C ATOM 147 OG1 THR A 13 -5.289 3.934 -1.538 1.00 0.00 O ATOM 148 CG2 THR A 13 -2.937 4.208 -1.065 1.00 0.00 C ATOM 0 H THR A 13 -1.982 1.949 -2.207 1.00 0.00 H new ATOM 0 HA THR A 13 -4.554 2.237 -3.394 1.00 0.00 H new ATOM 0 HB THR A 13 -4.050 2.392 -0.938 1.00 0.00 H new ATOM 0 HG1 THR A 13 -5.479 4.221 -0.620 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.177 4.518 -0.048 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.977 3.691 -1.070 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.879 5.086 -1.708 1.00 0.00 H new ATOM 156 N GLY A 14 -4.609 4.684 -4.274 1.00 0.00 N ATOM 157 CA GLY A 14 -4.530 5.865 -5.113 1.00 0.00 C ATOM 158 C GLY A 14 -3.416 6.804 -4.689 1.00 0.00 C ATOM 159 O GLY A 14 -2.757 7.415 -5.529 1.00 0.00 O ATOM 0 H GLY A 14 -5.555 4.407 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.371 5.562 -6.148 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.481 6.396 -5.079 1.00 0.00 H new ATOM 163 N TYR A 15 -3.207 6.917 -3.382 1.00 0.00 N ATOM 164 CA TYR A 15 -2.169 7.790 -2.848 1.00 0.00 C ATOM 165 C TYR A 15 -0.789 7.356 -3.333 1.00 0.00 C ATOM 166 O TYR A 15 -0.104 8.097 -4.038 1.00 0.00 O ATOM 167 CB TYR A 15 -2.208 7.788 -1.319 1.00 0.00 C ATOM 168 CG TYR A 15 -1.069 8.553 -0.683 1.00 0.00 C ATOM 169 CD1 TYR A 15 -0.730 9.827 -1.122 1.00 0.00 C ATOM 170 CD2 TYR A 15 -0.332 8.001 0.358 1.00 0.00 C ATOM 171 CE1 TYR A 15 0.310 10.528 -0.543 1.00 0.00 C ATOM 172 CE2 TYR A 15 0.709 8.696 0.943 1.00 0.00 C ATOM 173 CZ TYR A 15 1.026 9.958 0.488 1.00 0.00 C ATOM 174 OH TYR A 15 2.062 10.655 1.067 1.00 0.00 O ATOM 0 H TYR A 15 -3.742 6.415 -2.673 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.360 8.801 -3.208 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -3.153 8.218 -0.988 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.185 6.757 -0.965 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.289 10.277 -1.929 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.577 7.012 0.716 1.00 0.00 H new ATOM 0 HE1 TYR A 15 0.561 11.517 -0.896 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.271 8.253 1.752 1.00 0.00 H new ATOM 0 HH TYR A 15 2.463 10.114 1.779 1.00 0.00 H new ATOM 184 N VAL A 16 -0.387 6.148 -2.950 1.00 0.00 N ATOM 185 CA VAL A 16 0.909 5.612 -3.345 1.00 0.00 C ATOM 186 C VAL A 16 1.016 5.496 -4.862 1.00 0.00 C ATOM 187 O VAL A 16 1.972 5.983 -5.467 1.00 0.00 O ATOM 188 CB VAL A 16 1.161 4.228 -2.717 1.00 0.00 C ATOM 189 CG1 VAL A 16 2.510 3.680 -3.154 1.00 0.00 C ATOM 190 CG2 VAL A 16 1.074 4.309 -1.200 1.00 0.00 C ATOM 0 H VAL A 16 -0.941 5.522 -2.366 1.00 0.00 H new ATOM 0 HA VAL A 16 1.663 6.310 -2.982 1.00 0.00 H new ATOM 0 HB VAL A 16 0.389 3.543 -3.067 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.670 2.702 -2.700 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.529 3.584 -4.240 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.300 4.361 -2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.254 3.323 -0.772 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.824 5.008 -0.829 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.081 4.654 -0.910 1.00 0.00 H new ATOM 200 N ARG A 17 0.029 4.849 -5.471 1.00 0.00 N ATOM 201 CA ARG A 17 0.012 4.668 -6.918 1.00 0.00 C ATOM 202 C ARG A 17 0.538 5.912 -7.628 1.00 0.00 C ATOM 203 O ARG A 17 1.346 5.817 -8.552 1.00 0.00 O ATOM 204 CB ARG A 17 -1.407 4.356 -7.398 1.00 0.00 C ATOM 205 CG ARG A 17 -1.451 3.565 -8.695 1.00 0.00 C ATOM 206 CD ARG A 17 -2.830 2.972 -8.939 1.00 0.00 C ATOM 207 NE ARG A 17 -3.080 2.734 -10.358 1.00 0.00 N ATOM 208 CZ ARG A 17 -4.201 2.195 -10.827 1.00 0.00 C ATOM 209 NH1 ARG A 17 -5.169 1.841 -9.993 1.00 0.00 N ATOM 210 NH2 ARG A 17 -4.354 2.010 -12.132 1.00 0.00 N ATOM 0 H ARG A 17 -0.770 4.441 -4.985 1.00 0.00 H new ATOM 0 HA ARG A 17 0.664 3.829 -7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.929 3.795 -6.622 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -1.949 5.292 -7.534 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.180 4.214 -9.528 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.711 2.766 -8.660 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.923 2.034 -8.392 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.590 3.647 -8.545 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.355 2.996 -11.026 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.054 1.982 -8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.028 1.428 -10.355 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.611 2.281 -12.776 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.214 1.596 -12.491 1.00 0.00 H new ATOM 224 N PHE A 18 0.075 7.077 -7.189 1.00 0.00 N ATOM 225 CA PHE A 18 0.497 8.341 -7.783 1.00 0.00 C ATOM 226 C PHE A 18 1.947 8.653 -7.423 1.00 0.00 C ATOM 227 O PHE A 18 2.694 9.204 -8.232 1.00 0.00 O ATOM 228 CB PHE A 18 -0.412 9.478 -7.315 1.00 0.00 C ATOM 229 CG PHE A 18 0.254 10.825 -7.332 1.00 0.00 C ATOM 230 CD1 PHE A 18 1.085 11.215 -6.294 1.00 0.00 C ATOM 231 CD2 PHE A 18 0.050 11.699 -8.387 1.00 0.00 C ATOM 232 CE1 PHE A 18 1.700 12.453 -6.307 1.00 0.00 C ATOM 233 CE2 PHE A 18 0.662 12.938 -8.406 1.00 0.00 C ATOM 234 CZ PHE A 18 1.487 13.317 -7.365 1.00 0.00 C ATOM 0 H PHE A 18 -0.593 7.173 -6.424 1.00 0.00 H new ATOM 0 HA PHE A 18 0.421 8.248 -8.866 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -1.296 9.511 -7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.756 9.264 -6.303 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.254 10.544 -5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.594 11.409 -9.204 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.346 12.745 -5.492 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.495 13.610 -9.235 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.964 14.286 -7.378 1.00 0.00 H new ATOM 244 N LEU A 19 2.337 8.296 -6.204 1.00 0.00 N ATOM 245 CA LEU A 19 3.698 8.536 -5.736 1.00 0.00 C ATOM 246 C LEU A 19 4.693 7.644 -6.470 1.00 0.00 C ATOM 247 O LEU A 19 5.853 8.011 -6.653 1.00 0.00 O ATOM 248 CB LEU A 19 3.790 8.292 -4.228 1.00 0.00 C ATOM 249 CG LEU A 19 3.039 9.284 -3.340 1.00 0.00 C ATOM 250 CD1 LEU A 19 2.935 8.754 -1.918 1.00 0.00 C ATOM 251 CD2 LEU A 19 3.725 10.641 -3.356 1.00 0.00 C ATOM 0 H LEU A 19 1.731 7.840 -5.522 1.00 0.00 H new ATOM 0 HA LEU A 19 3.950 9.576 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.413 7.291 -4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 19 4.842 8.303 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 19 2.031 9.405 -3.736 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.397 9.473 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.398 7.806 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.935 8.603 -1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.176 11.334 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.745 10.537 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.747 11.026 -4.376 1.00 0.00 H new ATOM 263 N ASN A 20 4.231 6.471 -6.890 1.00 0.00 N ATOM 264 CA ASN A 20 5.080 5.526 -7.605 1.00 0.00 C ATOM 265 C ASN A 20 5.333 5.997 -9.035 1.00 0.00 C ATOM 266 O ASN A 20 6.441 5.867 -9.553 1.00 0.00 O ATOM 267 CB ASN A 20 4.435 4.138 -7.620 1.00 0.00 C ATOM 268 CG ASN A 20 4.787 3.325 -6.389 1.00 0.00 C ATOM 269 OD1 ASN A 20 5.664 3.702 -5.612 1.00 0.00 O ATOM 270 ND2 ASN A 20 4.103 2.201 -6.209 1.00 0.00 N ATOM 0 H ASN A 20 3.273 6.152 -6.747 1.00 0.00 H new ATOM 0 HA ASN A 20 6.036 5.469 -7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 20 3.352 4.244 -7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.757 3.600 -8.512 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.296 1.610 -5.400 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.385 1.928 -6.880 1.00 0.00 H new ATOM 277 N GLU A 21 4.298 6.543 -9.664 1.00 0.00 N ATOM 278 CA GLU A 21 4.408 7.033 -11.033 1.00 0.00 C ATOM 279 C GLU A 21 5.225 8.320 -11.086 1.00 0.00 C ATOM 280 O GLU A 21 6.166 8.439 -11.871 1.00 0.00 O ATOM 281 CB GLU A 21 3.018 7.273 -11.626 1.00 0.00 C ATOM 282 CG GLU A 21 3.014 7.374 -13.143 1.00 0.00 C ATOM 283 CD GLU A 21 3.220 6.033 -13.818 1.00 0.00 C ATOM 284 OE1 GLU A 21 4.389 5.620 -13.974 1.00 0.00 O ATOM 285 OE2 GLU A 21 2.213 5.395 -14.191 1.00 0.00 O ATOM 0 H GLU A 21 3.374 6.657 -9.248 1.00 0.00 H new ATOM 0 HA GLU A 21 4.920 6.273 -11.623 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.357 6.461 -11.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.607 8.192 -11.208 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.066 7.800 -13.472 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.799 8.060 -13.460 1.00 0.00 H new ATOM 292 N ARG A 22 4.858 9.282 -10.246 1.00 0.00 N ATOM 293 CA ARG A 22 5.555 10.562 -10.197 1.00 0.00 C ATOM 294 C ARG A 22 7.013 10.371 -9.792 1.00 0.00 C ATOM 295 O ARG A 22 7.917 10.947 -10.399 1.00 0.00 O ATOM 296 CB ARG A 22 4.861 11.507 -9.215 1.00 0.00 C ATOM 297 CG ARG A 22 3.632 12.190 -9.793 1.00 0.00 C ATOM 298 CD ARG A 22 4.006 13.435 -10.584 1.00 0.00 C ATOM 299 NE ARG A 22 2.870 13.970 -11.329 1.00 0.00 N ATOM 300 CZ ARG A 22 2.322 13.359 -12.374 1.00 0.00 C ATOM 301 NH1 ARG A 22 2.803 12.197 -12.793 1.00 0.00 N ATOM 302 NH2 ARG A 22 1.290 13.910 -13.000 1.00 0.00 N ATOM 0 H ARG A 22 4.082 9.199 -9.590 1.00 0.00 H new ATOM 0 HA ARG A 22 5.527 11.001 -11.194 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.570 10.945 -8.327 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.571 12.268 -8.892 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.098 11.494 -10.440 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.952 12.461 -8.986 1.00 0.00 H new ATOM 0 HD2 ARG A 22 4.385 14.197 -9.903 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.814 13.196 -11.276 1.00 0.00 H new ATOM 0 HE ARG A 22 2.475 14.862 -11.031 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.595 11.770 -12.313 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.381 11.730 -13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.917 14.803 -12.679 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.870 13.440 -13.802 1.00 0.00 H new ATOM 316 N ARG A 23 7.235 9.560 -8.763 1.00 0.00 N ATOM 317 CA ARG A 23 8.584 9.296 -8.275 1.00 0.00 C ATOM 318 C ARG A 23 9.564 9.154 -9.437 1.00 0.00 C ATOM 319 O ARG A 23 10.743 9.484 -9.311 1.00 0.00 O ATOM 320 CB ARG A 23 8.601 8.026 -7.422 1.00 0.00 C ATOM 321 CG ARG A 23 9.992 7.447 -7.219 1.00 0.00 C ATOM 322 CD ARG A 23 10.814 8.295 -6.262 1.00 0.00 C ATOM 323 NE ARG A 23 11.776 7.493 -5.509 1.00 0.00 N ATOM 324 CZ ARG A 23 11.427 6.590 -4.599 1.00 0.00 C ATOM 325 NH1 ARG A 23 10.147 6.374 -4.331 1.00 0.00 N ATOM 326 NH2 ARG A 23 12.361 5.900 -3.956 1.00 0.00 N ATOM 0 H ARG A 23 6.499 9.074 -8.251 1.00 0.00 H new ATOM 0 HA ARG A 23 8.894 10.142 -7.662 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.163 8.246 -6.449 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.969 7.274 -7.893 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.912 6.432 -6.830 1.00 0.00 H new ATOM 0 HG3 ARG A 23 10.503 7.381 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.344 9.065 -6.823 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.148 8.808 -5.568 1.00 0.00 H new ATOM 0 HE ARG A 23 12.769 7.634 -5.692 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.427 6.902 -4.824 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.882 5.680 -3.632 1.00 0.00 H new ATOM 0 HH21 ARG A 23 13.347 6.063 -4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 23 12.093 5.207 -3.257 1.00 0.00 H new ATOM 340 N GLU A 24 9.067 8.660 -10.567 1.00 0.00 N ATOM 341 CA GLU A 24 9.899 8.474 -11.750 1.00 0.00 C ATOM 342 C GLU A 24 10.152 9.805 -12.451 1.00 0.00 C ATOM 343 O GLU A 24 11.259 10.069 -12.923 1.00 0.00 O ATOM 344 CB GLU A 24 9.236 7.492 -12.718 1.00 0.00 C ATOM 345 CG GLU A 24 9.897 7.446 -14.085 1.00 0.00 C ATOM 346 CD GLU A 24 9.035 6.759 -15.127 1.00 0.00 C ATOM 347 OE1 GLU A 24 8.516 5.660 -14.836 1.00 0.00 O ATOM 348 OE2 GLU A 24 8.879 7.320 -16.232 1.00 0.00 O ATOM 0 H GLU A 24 8.093 8.382 -10.688 1.00 0.00 H new ATOM 0 HA GLU A 24 10.857 8.065 -11.429 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.256 6.494 -12.280 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.188 7.766 -12.839 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.116 8.462 -14.413 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.851 6.924 -14.006 1.00 0.00 H new ATOM 355 N GLN A 25 9.119 10.639 -12.518 1.00 0.00 N ATOM 356 CA GLN A 25 9.229 11.941 -13.164 1.00 0.00 C ATOM 357 C GLN A 25 10.332 12.776 -12.520 1.00 0.00 C ATOM 358 O GLN A 25 11.053 13.503 -13.205 1.00 0.00 O ATOM 359 CB GLN A 25 7.897 12.687 -13.085 1.00 0.00 C ATOM 360 CG GLN A 25 6.935 12.336 -14.209 1.00 0.00 C ATOM 361 CD GLN A 25 7.157 13.177 -15.451 1.00 0.00 C ATOM 362 OE1 GLN A 25 8.036 12.886 -16.263 1.00 0.00 O ATOM 363 NE2 GLN A 25 6.357 14.226 -15.605 1.00 0.00 N ATOM 0 H GLN A 25 8.197 10.436 -12.133 1.00 0.00 H new ATOM 0 HA GLN A 25 9.485 11.779 -14.211 1.00 0.00 H new ATOM 0 HB2 GLN A 25 7.422 12.465 -12.129 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.089 13.760 -13.104 1.00 0.00 H new ATOM 0 HG2 GLN A 25 7.048 11.282 -14.463 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.911 12.472 -13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.642 14.429 -14.906 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.458 14.828 -16.422 1.00 0.00 H new ATOM 372 N ILE A 26 10.456 12.668 -11.202 1.00 0.00 N ATOM 373 CA ILE A 26 11.472 13.413 -10.467 1.00 0.00 C ATOM 374 C ILE A 26 12.869 12.881 -10.769 1.00 0.00 C ATOM 375 O ILE A 26 13.724 13.607 -11.278 1.00 0.00 O ATOM 376 CB ILE A 26 11.227 13.348 -8.948 1.00 0.00 C ATOM 377 CG1 ILE A 26 9.778 13.720 -8.626 1.00 0.00 C ATOM 378 CG2 ILE A 26 12.191 14.270 -8.217 1.00 0.00 C ATOM 379 CD1 ILE A 26 9.430 15.150 -8.977 1.00 0.00 C ATOM 0 H ILE A 26 9.866 12.072 -10.621 1.00 0.00 H new ATOM 0 HA ILE A 26 11.403 14.450 -10.794 1.00 0.00 H new ATOM 0 HB ILE A 26 11.403 12.327 -8.610 1.00 0.00 H new ATOM 0 HG12 ILE A 26 9.110 13.049 -9.166 1.00 0.00 H new ATOM 0 HG13 ILE A 26 9.598 13.561 -7.563 1.00 0.00 H new ATOM 0 HG21 ILE A 26 12.006 14.213 -7.144 1.00 0.00 H new ATOM 0 HG22 ILE A 26 13.216 13.963 -8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 26 12.043 15.295 -8.557 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.388 15.344 -8.722 1.00 0.00 H new ATOM 0 HD12 ILE A 26 10.073 15.829 -8.417 1.00 0.00 H new ATOM 0 HD13 ILE A 26 9.578 15.309 -10.045 1.00 0.00 H new ATOM 391 N ARG A 27 13.094 11.610 -10.454 1.00 0.00 N ATOM 392 CA ARG A 27 14.387 10.981 -10.692 1.00 0.00 C ATOM 393 C ARG A 27 15.034 11.530 -11.960 1.00 0.00 C ATOM 394 O ARG A 27 16.230 11.819 -11.986 1.00 0.00 O ATOM 395 CB ARG A 27 14.228 9.464 -10.804 1.00 0.00 C ATOM 396 CG ARG A 27 14.236 8.749 -9.463 1.00 0.00 C ATOM 397 CD ARG A 27 15.637 8.682 -8.875 1.00 0.00 C ATOM 398 NE ARG A 27 15.827 7.496 -8.046 1.00 0.00 N ATOM 399 CZ ARG A 27 17.000 7.132 -7.541 1.00 0.00 C ATOM 400 NH1 ARG A 27 18.083 7.859 -7.781 1.00 0.00 N ATOM 401 NH2 ARG A 27 17.093 6.038 -6.795 1.00 0.00 N ATOM 0 H ARG A 27 12.397 10.995 -10.033 1.00 0.00 H new ATOM 0 HA ARG A 27 15.035 11.210 -9.846 1.00 0.00 H new ATOM 0 HB2 ARG A 27 13.293 9.242 -11.318 1.00 0.00 H new ATOM 0 HB3 ARG A 27 15.034 9.068 -11.422 1.00 0.00 H new ATOM 0 HG2 ARG A 27 13.574 9.267 -8.769 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.843 7.740 -9.585 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.369 8.681 -9.682 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.822 9.575 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 27 15.014 6.915 -7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.016 8.700 -8.355 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.983 7.577 -7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.263 5.476 -6.609 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.995 5.760 -6.408 1.00 0.00 H new ATOM 415 N THR A 28 14.233 11.673 -13.012 1.00 0.00 N ATOM 416 CA THR A 28 14.727 12.185 -14.283 1.00 0.00 C ATOM 417 C THR A 28 15.345 13.569 -14.116 1.00 0.00 C ATOM 418 O THR A 28 16.452 13.828 -14.589 1.00 0.00 O ATOM 419 CB THR A 28 13.603 12.262 -15.333 1.00 0.00 C ATOM 420 OG1 THR A 28 12.928 11.002 -15.420 1.00 0.00 O ATOM 421 CG2 THR A 28 14.160 12.639 -16.698 1.00 0.00 C ATOM 0 H THR A 28 13.240 11.441 -13.008 1.00 0.00 H new ATOM 0 HA THR A 28 15.490 11.488 -14.628 1.00 0.00 H new ATOM 0 HB THR A 28 12.898 13.032 -15.021 1.00 0.00 H new ATOM 0 HG1 THR A 28 12.325 10.901 -14.654 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.347 12.687 -17.422 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.648 13.612 -16.636 1.00 0.00 H new ATOM 0 HG23 THR A 28 14.885 11.889 -17.015 1.00 0.00 H new ATOM 429 N ARG A 29 14.622 14.457 -13.439 1.00 0.00 N ATOM 430 CA ARG A 29 15.099 15.816 -13.211 1.00 0.00 C ATOM 431 C ARG A 29 16.161 15.840 -12.115 1.00 0.00 C ATOM 432 O ARG A 29 17.256 16.370 -12.310 1.00 0.00 O ATOM 433 CB ARG A 29 13.935 16.730 -12.827 1.00 0.00 C ATOM 434 CG ARG A 29 13.195 17.307 -14.024 1.00 0.00 C ATOM 435 CD ARG A 29 11.739 17.595 -13.692 1.00 0.00 C ATOM 436 NE ARG A 29 11.194 18.674 -14.511 1.00 0.00 N ATOM 437 CZ ARG A 29 11.578 19.941 -14.407 1.00 0.00 C ATOM 438 NH1 ARG A 29 12.505 20.285 -13.523 1.00 0.00 N ATOM 439 NH2 ARG A 29 11.035 20.867 -15.188 1.00 0.00 N ATOM 0 H ARG A 29 13.705 14.259 -13.039 1.00 0.00 H new ATOM 0 HA ARG A 29 15.546 16.179 -14.137 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.232 16.170 -12.211 1.00 0.00 H new ATOM 0 HB3 ARG A 29 14.313 17.549 -12.215 1.00 0.00 H new ATOM 0 HG2 ARG A 29 13.684 18.226 -14.347 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.248 16.607 -14.858 1.00 0.00 H new ATOM 0 HD2 ARG A 29 11.148 16.692 -13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 29 11.653 17.861 -12.638 1.00 0.00 H new ATOM 0 HE ARG A 29 10.479 18.442 -15.201 1.00 0.00 H new ATOM 0 HH11 ARG A 29 12.924 19.576 -12.922 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.799 21.259 -13.445 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.322 20.606 -15.869 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.331 21.840 -15.107 1.00 0.00 H new ATOM 453 N HIS A 30 15.831 15.265 -10.963 1.00 0.00 N ATOM 454 CA HIS A 30 16.756 15.222 -9.837 1.00 0.00 C ATOM 455 C HIS A 30 17.301 13.810 -9.635 1.00 0.00 C ATOM 456 O HIS A 30 16.889 13.083 -8.731 1.00 0.00 O ATOM 457 CB HIS A 30 16.062 15.699 -8.561 1.00 0.00 C ATOM 458 CG HIS A 30 15.424 17.048 -8.696 1.00 0.00 C ATOM 459 ND1 HIS A 30 16.064 18.220 -8.354 1.00 0.00 N ATOM 460 CD2 HIS A 30 14.197 17.406 -9.140 1.00 0.00 C ATOM 461 CE1 HIS A 30 15.256 19.242 -8.581 1.00 0.00 C ATOM 462 NE2 HIS A 30 14.117 18.775 -9.058 1.00 0.00 N ATOM 0 H HIS A 30 14.929 14.822 -10.785 1.00 0.00 H new ATOM 0 HA HIS A 30 17.590 15.887 -10.059 1.00 0.00 H new ATOM 0 HB2 HIS A 30 15.300 14.972 -8.278 1.00 0.00 H new ATOM 0 HB3 HIS A 30 16.790 15.730 -7.751 1.00 0.00 H new ATOM 0 HD2 HIS A 30 13.424 16.739 -9.493 1.00 0.00 H new ATOM 0 HE1 HIS A 30 15.488 20.282 -8.406 1.00 0.00 H new ATOM 0 HE2 HIS A 30 13.309 19.339 -9.323 1.00 0.00 H new ATOM 471 N PRO A 31 18.249 13.413 -10.497 1.00 0.00 N ATOM 472 CA PRO A 31 18.870 12.087 -10.434 1.00 0.00 C ATOM 473 C PRO A 31 19.772 11.926 -9.215 1.00 0.00 C ATOM 474 O PRO A 31 20.352 10.863 -8.997 1.00 0.00 O ATOM 475 CB PRO A 31 19.694 12.019 -11.723 1.00 0.00 C ATOM 476 CG PRO A 31 19.982 13.441 -12.063 1.00 0.00 C ATOM 477 CD PRO A 31 18.788 14.228 -11.600 1.00 0.00 C ATOM 0 HA PRO A 31 18.128 11.294 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 31 20.614 11.453 -11.576 1.00 0.00 H new ATOM 0 HB3 PRO A 31 19.140 11.525 -12.521 1.00 0.00 H new ATOM 0 HG2 PRO A 31 20.891 13.784 -11.569 1.00 0.00 H new ATOM 0 HG3 PRO A 31 20.137 13.562 -13.135 1.00 0.00 H new ATOM 0 HD2 PRO A 31 19.070 15.225 -11.262 1.00 0.00 H new ATOM 0 HD3 PRO A 31 18.057 14.357 -12.399 1.00 0.00 H new ATOM 485 N ASP A 32 19.885 12.988 -8.425 1.00 0.00 N ATOM 486 CA ASP A 32 20.716 12.964 -7.227 1.00 0.00 C ATOM 487 C ASP A 32 19.864 12.761 -5.979 1.00 0.00 C ATOM 488 O ASP A 32 20.356 12.306 -4.945 1.00 0.00 O ATOM 489 CB ASP A 32 21.513 14.265 -7.108 1.00 0.00 C ATOM 490 CG ASP A 32 22.680 14.142 -6.148 1.00 0.00 C ATOM 491 OD1 ASP A 32 23.299 13.058 -6.102 1.00 0.00 O ATOM 492 OD2 ASP A 32 22.975 15.129 -5.442 1.00 0.00 O ATOM 0 H ASP A 32 19.412 13.876 -8.593 1.00 0.00 H new ATOM 0 HA ASP A 32 21.409 12.127 -7.312 1.00 0.00 H new ATOM 0 HB2 ASP A 32 21.884 14.552 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 32 20.852 15.064 -6.771 1.00 0.00 H new ATOM 497 N LEU A 33 18.584 13.100 -6.081 1.00 0.00 N ATOM 498 CA LEU A 33 17.662 12.955 -4.959 1.00 0.00 C ATOM 499 C LEU A 33 17.396 11.483 -4.660 1.00 0.00 C ATOM 500 O LEU A 33 16.984 10.712 -5.526 1.00 0.00 O ATOM 501 CB LEU A 33 16.344 13.672 -5.260 1.00 0.00 C ATOM 502 CG LEU A 33 16.319 15.174 -4.979 1.00 0.00 C ATOM 503 CD1 LEU A 33 14.887 15.689 -4.954 1.00 0.00 C ATOM 504 CD2 LEU A 33 17.021 15.484 -3.665 1.00 0.00 C ATOM 0 H LEU A 33 18.160 13.477 -6.929 1.00 0.00 H new ATOM 0 HA LEU A 33 18.123 13.408 -4.081 1.00 0.00 H new ATOM 0 HB2 LEU A 33 16.100 13.515 -6.311 1.00 0.00 H new ATOM 0 HB3 LEU A 33 15.555 13.200 -4.675 1.00 0.00 H new ATOM 0 HG LEU A 33 16.853 15.682 -5.782 1.00 0.00 H new ATOM 0 HD11 LEU A 33 14.889 16.760 -4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.416 15.502 -5.919 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.329 15.174 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 33 16.993 16.558 -3.482 1.00 0.00 H new ATOM 0 HD22 LEU A 33 16.516 14.964 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 33 18.058 15.152 -3.719 1.00 0.00 H new ATOM 516 N PRO A 34 17.635 11.082 -3.402 1.00 0.00 N ATOM 517 CA PRO A 34 17.425 9.701 -2.958 1.00 0.00 C ATOM 518 C PRO A 34 15.948 9.328 -2.900 1.00 0.00 C ATOM 519 O PRO A 34 15.103 10.008 -3.483 1.00 0.00 O ATOM 520 CB PRO A 34 18.037 9.683 -1.554 1.00 0.00 C ATOM 521 CG PRO A 34 17.957 11.096 -1.089 1.00 0.00 C ATOM 522 CD PRO A 34 18.127 11.948 -2.317 1.00 0.00 C ATOM 0 HA PRO A 34 17.873 8.981 -3.643 1.00 0.00 H new ATOM 0 HB2 PRO A 34 17.487 9.016 -0.891 1.00 0.00 H new ATOM 0 HB3 PRO A 34 19.068 9.331 -1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.000 11.294 -0.606 1.00 0.00 H new ATOM 0 HG3 PRO A 34 18.734 11.310 -0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 34 17.553 12.872 -2.248 1.00 0.00 H new ATOM 0 HD3 PRO A 34 19.169 12.231 -2.469 1.00 0.00 H new ATOM 530 N PHE A 35 15.643 8.246 -2.193 1.00 0.00 N ATOM 531 CA PHE A 35 14.267 7.782 -2.060 1.00 0.00 C ATOM 532 C PHE A 35 13.470 8.701 -1.138 1.00 0.00 C ATOM 533 O PHE A 35 12.455 9.281 -1.525 1.00 0.00 O ATOM 534 CB PHE A 35 14.238 6.351 -1.519 1.00 0.00 C ATOM 535 CG PHE A 35 13.043 6.059 -0.659 1.00 0.00 C ATOM 536 CD1 PHE A 35 11.792 6.552 -0.997 1.00 0.00 C ATOM 537 CD2 PHE A 35 13.168 5.292 0.488 1.00 0.00 C ATOM 538 CE1 PHE A 35 10.690 6.285 -0.206 1.00 0.00 C ATOM 539 CE2 PHE A 35 12.070 5.022 1.282 1.00 0.00 C ATOM 540 CZ PHE A 35 10.830 5.518 0.933 1.00 0.00 C ATOM 0 H PHE A 35 16.330 7.673 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 35 13.808 7.799 -3.048 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.251 5.654 -2.357 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.144 6.171 -0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.677 7.151 -1.888 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.136 4.900 0.765 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.721 6.676 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 35 12.182 4.424 2.174 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.970 5.306 1.551 1.00 0.00 H new ATOM 550 N PRO A 36 13.940 8.839 0.111 1.00 0.00 N ATOM 551 CA PRO A 36 13.287 9.685 1.113 1.00 0.00 C ATOM 552 C PRO A 36 13.423 11.170 0.794 1.00 0.00 C ATOM 553 O PRO A 36 13.260 12.020 1.670 1.00 0.00 O ATOM 554 CB PRO A 36 14.034 9.345 2.406 1.00 0.00 C ATOM 555 CG PRO A 36 15.372 8.869 1.955 1.00 0.00 C ATOM 556 CD PRO A 36 15.145 8.176 0.639 1.00 0.00 C ATOM 0 HA PRO A 36 12.214 9.502 1.164 1.00 0.00 H new ATOM 0 HB2 PRO A 36 14.122 10.217 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 36 13.511 8.576 2.975 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.065 9.703 1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.810 8.187 2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 36 15.996 8.296 -0.031 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.990 7.105 0.770 1.00 0.00 H new ATOM 564 N GLU A 37 13.723 11.476 -0.464 1.00 0.00 N ATOM 565 CA GLU A 37 13.881 12.860 -0.897 1.00 0.00 C ATOM 566 C GLU A 37 12.977 13.164 -2.088 1.00 0.00 C ATOM 567 O GLU A 37 12.626 14.318 -2.334 1.00 0.00 O ATOM 568 CB GLU A 37 15.340 13.138 -1.265 1.00 0.00 C ATOM 569 CG GLU A 37 16.220 13.457 -0.068 1.00 0.00 C ATOM 570 CD GLU A 37 16.081 14.895 0.393 1.00 0.00 C ATOM 571 OE1 GLU A 37 16.014 15.792 -0.473 1.00 0.00 O ATOM 572 OE2 GLU A 37 16.038 15.122 1.620 1.00 0.00 O ATOM 0 H GLU A 37 13.862 10.785 -1.201 1.00 0.00 H new ATOM 0 HA GLU A 37 13.592 13.509 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.747 12.270 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 37 15.377 13.973 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 37 15.964 12.790 0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 37 17.261 13.261 -0.325 1.00 0.00 H new ATOM 579 N ILE A 38 12.605 12.121 -2.823 1.00 0.00 N ATOM 580 CA ILE A 38 11.743 12.277 -3.986 1.00 0.00 C ATOM 581 C ILE A 38 10.273 12.141 -3.605 1.00 0.00 C ATOM 582 O ILE A 38 9.435 12.945 -4.015 1.00 0.00 O ATOM 583 CB ILE A 38 12.076 11.240 -5.077 1.00 0.00 C ATOM 584 CG1 ILE A 38 13.507 11.436 -5.578 1.00 0.00 C ATOM 585 CG2 ILE A 38 11.086 11.345 -6.227 1.00 0.00 C ATOM 586 CD1 ILE A 38 14.019 10.283 -6.412 1.00 0.00 C ATOM 0 H ILE A 38 12.888 11.160 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 38 11.923 13.278 -4.379 1.00 0.00 H new ATOM 0 HB ILE A 38 11.997 10.242 -4.646 1.00 0.00 H new ATOM 0 HG12 ILE A 38 13.554 12.350 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 38 14.167 11.576 -4.722 1.00 0.00 H new ATOM 0 HG21 ILE A 38 11.334 10.607 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 38 10.078 11.160 -5.857 1.00 0.00 H new ATOM 0 HG23 ILE A 38 11.136 12.344 -6.660 1.00 0.00 H new ATOM 0 HD11 ILE A 38 15.040 10.491 -6.733 1.00 0.00 H new ATOM 0 HD12 ILE A 38 14.005 9.369 -5.818 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.382 10.156 -7.288 1.00 0.00 H new ATOM 598 N THR A 39 9.965 11.119 -2.811 1.00 0.00 N ATOM 599 CA THR A 39 8.597 10.879 -2.371 1.00 0.00 C ATOM 600 C THR A 39 8.078 12.038 -1.527 1.00 0.00 C ATOM 601 O THR A 39 6.929 12.454 -1.666 1.00 0.00 O ATOM 602 CB THR A 39 8.489 9.576 -1.555 1.00 0.00 C ATOM 603 OG1 THR A 39 8.560 8.443 -2.429 1.00 0.00 O ATOM 604 CG2 THR A 39 7.189 9.537 -0.769 1.00 0.00 C ATOM 0 H THR A 39 10.645 10.445 -2.460 1.00 0.00 H new ATOM 0 HA THR A 39 7.988 10.788 -3.271 1.00 0.00 H new ATOM 0 HB THR A 39 9.321 9.543 -0.851 1.00 0.00 H new ATOM 0 HG1 THR A 39 8.492 7.619 -1.903 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.135 8.608 -0.201 1.00 0.00 H new ATOM 0 HG22 THR A 39 7.152 10.384 -0.084 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.346 9.591 -1.458 1.00 0.00 H new ATOM 612 N LYS A 40 8.934 12.555 -0.652 1.00 0.00 N ATOM 613 CA LYS A 40 8.564 13.667 0.214 1.00 0.00 C ATOM 614 C LYS A 40 8.060 14.851 -0.606 1.00 0.00 C ATOM 615 O LYS A 40 7.082 15.501 -0.238 1.00 0.00 O ATOM 616 CB LYS A 40 9.760 14.096 1.067 1.00 0.00 C ATOM 617 CG LYS A 40 10.910 14.670 0.257 1.00 0.00 C ATOM 618 CD LYS A 40 12.023 15.184 1.155 1.00 0.00 C ATOM 619 CE LYS A 40 11.636 16.494 1.826 1.00 0.00 C ATOM 620 NZ LYS A 40 11.603 17.625 0.857 1.00 0.00 N ATOM 0 H LYS A 40 9.889 12.221 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 40 7.760 13.333 0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.430 14.840 1.792 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.119 13.236 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.304 13.904 -0.410 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.544 15.482 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.252 14.438 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.929 15.329 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.657 16.387 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.346 16.718 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.572 18.526 1.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.456 17.597 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.758 17.542 0.256 1.00 0.00 H new ATOM 634 N MET A 41 8.734 15.124 -1.719 1.00 0.00 N ATOM 635 CA MET A 41 8.353 16.228 -2.592 1.00 0.00 C ATOM 636 C MET A 41 6.990 15.971 -3.228 1.00 0.00 C ATOM 637 O MET A 41 6.157 16.874 -3.322 1.00 0.00 O ATOM 638 CB MET A 41 9.406 16.432 -3.682 1.00 0.00 C ATOM 639 CG MET A 41 10.647 17.166 -3.197 1.00 0.00 C ATOM 640 SD MET A 41 11.496 18.045 -4.522 1.00 0.00 S ATOM 641 CE MET A 41 11.775 16.714 -5.686 1.00 0.00 C ATOM 0 H MET A 41 9.546 14.596 -2.037 1.00 0.00 H new ATOM 0 HA MET A 41 8.288 17.132 -1.986 1.00 0.00 H new ATOM 0 HB2 MET A 41 9.700 15.460 -4.078 1.00 0.00 H new ATOM 0 HB3 MET A 41 8.962 16.991 -4.505 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.364 17.875 -2.419 1.00 0.00 H new ATOM 0 HG3 MET A 41 11.333 16.451 -2.743 1.00 0.00 H new ATOM 0 HE1 MET A 41 12.599 16.978 -6.349 1.00 0.00 H new ATOM 0 HE2 MET A 41 12.024 15.802 -5.143 1.00 0.00 H new ATOM 0 HE3 MET A 41 10.873 16.551 -6.275 1.00 0.00 H new ATOM 651 N LEU A 42 6.769 14.736 -3.665 1.00 0.00 N ATOM 652 CA LEU A 42 5.507 14.361 -4.294 1.00 0.00 C ATOM 653 C LEU A 42 4.343 14.531 -3.322 1.00 0.00 C ATOM 654 O LEU A 42 3.258 14.964 -3.707 1.00 0.00 O ATOM 655 CB LEU A 42 5.569 12.913 -4.784 1.00 0.00 C ATOM 656 CG LEU A 42 6.665 12.597 -5.802 1.00 0.00 C ATOM 657 CD1 LEU A 42 6.454 11.214 -6.399 1.00 0.00 C ATOM 658 CD2 LEU A 42 6.697 13.653 -6.897 1.00 0.00 C ATOM 0 H LEU A 42 7.447 13.977 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 42 5.344 15.020 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.705 12.263 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.606 12.658 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 42 7.626 12.607 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.243 11.005 -7.122 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.482 10.467 -5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.486 11.177 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.483 13.412 -7.612 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.735 13.676 -7.409 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.896 14.629 -6.455 1.00 0.00 H new ATOM 670 N GLY A 43 4.579 14.190 -2.059 1.00 0.00 N ATOM 671 CA GLY A 43 3.542 14.314 -1.051 1.00 0.00 C ATOM 672 C GLY A 43 2.872 15.673 -1.072 1.00 0.00 C ATOM 673 O GLY A 43 1.656 15.776 -0.920 1.00 0.00 O ATOM 0 H GLY A 43 5.470 13.830 -1.716 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.791 13.540 -1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.975 14.141 -0.066 1.00 0.00 H new ATOM 677 N ALA A 44 3.669 16.721 -1.259 1.00 0.00 N ATOM 678 CA ALA A 44 3.146 18.080 -1.300 1.00 0.00 C ATOM 679 C ALA A 44 2.256 18.290 -2.520 1.00 0.00 C ATOM 680 O ALA A 44 1.305 19.071 -2.478 1.00 0.00 O ATOM 681 CB ALA A 44 4.289 19.085 -1.299 1.00 0.00 C ATOM 0 H ALA A 44 4.679 16.654 -1.384 1.00 0.00 H new ATOM 0 HA ALA A 44 2.538 18.236 -0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.884 20.097 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.883 18.959 -0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.920 18.920 -2.173 1.00 0.00 H new ATOM 687 N GLU A 45 2.572 17.589 -3.604 1.00 0.00 N ATOM 688 CA GLU A 45 1.799 17.701 -4.836 1.00 0.00 C ATOM 689 C GLU A 45 0.425 17.057 -4.678 1.00 0.00 C ATOM 690 O GLU A 45 -0.586 17.613 -5.106 1.00 0.00 O ATOM 691 CB GLU A 45 2.552 17.046 -5.996 1.00 0.00 C ATOM 692 CG GLU A 45 3.925 17.646 -6.249 1.00 0.00 C ATOM 693 CD GLU A 45 3.865 18.902 -7.095 1.00 0.00 C ATOM 694 OE1 GLU A 45 2.983 18.984 -7.975 1.00 0.00 O ATOM 695 OE2 GLU A 45 4.701 19.805 -6.878 1.00 0.00 O ATOM 0 H GLU A 45 3.356 16.939 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 45 1.660 18.760 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.663 15.981 -5.791 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.954 17.135 -6.903 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.398 17.877 -5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.554 16.907 -6.746 1.00 0.00 H new ATOM 702 N TRP A 46 0.397 15.881 -4.060 1.00 0.00 N ATOM 703 CA TRP A 46 -0.852 15.160 -3.846 1.00 0.00 C ATOM 704 C TRP A 46 -1.929 16.090 -3.298 1.00 0.00 C ATOM 705 O TRP A 46 -3.086 16.028 -3.713 1.00 0.00 O ATOM 706 CB TRP A 46 -0.631 13.992 -2.884 1.00 0.00 C ATOM 707 CG TRP A 46 -1.906 13.341 -2.438 1.00 0.00 C ATOM 708 CD1 TRP A 46 -2.450 13.377 -1.187 1.00 0.00 C ATOM 709 CD2 TRP A 46 -2.792 12.554 -3.241 1.00 0.00 C ATOM 710 NE1 TRP A 46 -3.623 12.661 -1.163 1.00 0.00 N ATOM 711 CE2 TRP A 46 -3.856 12.146 -2.411 1.00 0.00 C ATOM 712 CE3 TRP A 46 -2.794 12.157 -4.580 1.00 0.00 C ATOM 713 CZ2 TRP A 46 -4.905 11.361 -2.879 1.00 0.00 C ATOM 714 CZ3 TRP A 46 -3.836 11.376 -5.043 1.00 0.00 C ATOM 715 CH2 TRP A 46 -4.881 10.986 -4.195 1.00 0.00 C ATOM 0 H TRP A 46 1.225 15.407 -3.699 1.00 0.00 H new ATOM 0 HA TRP A 46 -1.189 14.771 -4.807 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.000 13.246 -3.368 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.088 14.349 -2.009 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.022 13.892 -0.340 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.223 12.534 -0.348 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.995 12.455 -5.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.710 11.058 -2.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.845 11.061 -6.076 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -5.683 10.378 -4.587 1.00 0.00 H new ATOM 726 N SER A 47 -1.542 16.950 -2.361 1.00 0.00 N ATOM 727 CA SER A 47 -2.477 17.890 -1.754 1.00 0.00 C ATOM 728 C SER A 47 -2.819 19.019 -2.721 1.00 0.00 C ATOM 729 O SER A 47 -3.873 19.646 -2.615 1.00 0.00 O ATOM 730 CB SER A 47 -1.887 18.468 -0.466 1.00 0.00 C ATOM 731 OG SER A 47 -2.835 19.273 0.213 1.00 0.00 O ATOM 0 H SER A 47 -0.588 17.015 -2.006 1.00 0.00 H new ATOM 0 HA SER A 47 -3.393 17.350 -1.516 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.562 17.656 0.185 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.003 19.061 -0.701 1.00 0.00 H new ATOM 0 HG SER A 47 -2.434 19.629 1.033 1.00 0.00 H new ATOM 737 N LYS A 48 -1.919 19.272 -3.666 1.00 0.00 N ATOM 738 CA LYS A 48 -2.124 20.323 -4.655 1.00 0.00 C ATOM 739 C LYS A 48 -2.861 19.785 -5.878 1.00 0.00 C ATOM 740 O LYS A 48 -3.330 20.551 -6.720 1.00 0.00 O ATOM 741 CB LYS A 48 -0.781 20.922 -5.078 1.00 0.00 C ATOM 742 CG LYS A 48 -0.056 21.643 -3.956 1.00 0.00 C ATOM 743 CD LYS A 48 1.211 22.320 -4.454 1.00 0.00 C ATOM 744 CE LYS A 48 2.353 21.325 -4.600 1.00 0.00 C ATOM 745 NZ LYS A 48 3.681 21.999 -4.581 1.00 0.00 N ATOM 0 H LYS A 48 -1.041 18.763 -3.767 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.735 21.102 -4.199 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.142 20.126 -5.460 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.946 21.619 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.718 22.388 -3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.196 20.932 -3.169 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.017 22.797 -5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.501 23.109 -3.760 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.304 20.595 -3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.238 20.775 -5.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.433 21.288 -4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.737 22.677 -5.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.802 22.503 -3.679 1.00 0.00 H new ATOM 759 N LEU A 49 -2.959 18.463 -5.968 1.00 0.00 N ATOM 760 CA LEU A 49 -3.640 17.822 -7.087 1.00 0.00 C ATOM 761 C LEU A 49 -5.011 18.448 -7.321 1.00 0.00 C ATOM 762 O LEU A 49 -5.554 19.121 -6.445 1.00 0.00 O ATOM 763 CB LEU A 49 -3.789 16.322 -6.827 1.00 0.00 C ATOM 764 CG LEU A 49 -2.633 15.440 -7.302 1.00 0.00 C ATOM 765 CD1 LEU A 49 -2.930 13.975 -7.023 1.00 0.00 C ATOM 766 CD2 LEU A 49 -2.368 15.660 -8.784 1.00 0.00 C ATOM 0 H LEU A 49 -2.576 17.815 -5.280 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.036 17.971 -7.982 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.919 16.170 -5.755 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.704 15.979 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.737 15.719 -6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.097 13.363 -7.368 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.069 13.829 -5.952 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.838 13.681 -7.549 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.542 15.024 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.262 15.409 -9.355 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.109 16.705 -8.956 1.00 0.00 H new ATOM 778 N GLN A 50 -5.566 18.218 -8.507 1.00 0.00 N ATOM 779 CA GLN A 50 -6.875 18.759 -8.854 1.00 0.00 C ATOM 780 C GLN A 50 -7.991 17.923 -8.236 1.00 0.00 C ATOM 781 O GLN A 50 -7.802 16.762 -7.874 1.00 0.00 O ATOM 782 CB GLN A 50 -7.042 18.811 -10.374 1.00 0.00 C ATOM 783 CG GLN A 50 -6.479 20.073 -11.007 1.00 0.00 C ATOM 784 CD GLN A 50 -7.446 21.239 -10.942 1.00 0.00 C ATOM 785 OE1 GLN A 50 -7.361 22.082 -10.049 1.00 0.00 O ATOM 786 NE2 GLN A 50 -8.373 21.293 -11.891 1.00 0.00 N ATOM 0 H GLN A 50 -5.130 17.662 -9.243 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.940 19.771 -8.454 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.551 17.944 -10.815 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.102 18.735 -10.617 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.552 20.346 -10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.228 19.872 -12.048 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -8.407 20.573 -12.612 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -9.051 22.055 -11.899 1.00 0.00 H new ATOM 795 N PRO A 51 -9.182 18.526 -8.110 1.00 0.00 N ATOM 796 CA PRO A 51 -10.352 17.856 -7.536 1.00 0.00 C ATOM 797 C PRO A 51 -10.895 16.757 -8.444 1.00 0.00 C ATOM 798 O PRO A 51 -11.897 16.117 -8.128 1.00 0.00 O ATOM 799 CB PRO A 51 -11.376 18.985 -7.395 1.00 0.00 C ATOM 800 CG PRO A 51 -10.978 19.987 -8.425 1.00 0.00 C ATOM 801 CD PRO A 51 -9.480 19.909 -8.521 1.00 0.00 C ATOM 0 HA PRO A 51 -10.114 17.358 -6.596 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.390 18.623 -7.565 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -11.355 19.416 -6.394 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.443 19.765 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.299 20.989 -8.140 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -9.131 20.111 -9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.997 20.635 -7.867 1.00 0.00 H new ATOM 809 N ALA A 52 -10.224 16.542 -9.571 1.00 0.00 N ATOM 810 CA ALA A 52 -10.638 15.518 -10.523 1.00 0.00 C ATOM 811 C ALA A 52 -9.592 14.413 -10.628 1.00 0.00 C ATOM 812 O ALA A 52 -9.931 13.242 -10.801 1.00 0.00 O ATOM 813 CB ALA A 52 -10.890 16.139 -11.889 1.00 0.00 C ATOM 0 H ALA A 52 -9.392 17.063 -9.847 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.565 15.073 -10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.198 15.363 -12.590 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.677 16.889 -11.808 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -9.975 16.610 -12.249 1.00 0.00 H new ATOM 819 N GLU A 53 -8.323 14.792 -10.522 1.00 0.00 N ATOM 820 CA GLU A 53 -7.229 13.831 -10.607 1.00 0.00 C ATOM 821 C GLU A 53 -7.068 13.073 -9.293 1.00 0.00 C ATOM 822 O GLU A 53 -7.006 11.844 -9.275 1.00 0.00 O ATOM 823 CB GLU A 53 -5.922 14.543 -10.961 1.00 0.00 C ATOM 824 CG GLU A 53 -6.043 15.484 -12.148 1.00 0.00 C ATOM 825 CD GLU A 53 -6.517 14.779 -13.405 1.00 0.00 C ATOM 826 OE1 GLU A 53 -5.668 14.204 -14.118 1.00 0.00 O ATOM 827 OE2 GLU A 53 -7.736 14.804 -13.676 1.00 0.00 O ATOM 0 H GLU A 53 -8.027 15.757 -10.377 1.00 0.00 H new ATOM 0 HA GLU A 53 -7.469 13.115 -11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -5.580 15.108 -10.094 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.158 13.796 -11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -6.738 16.286 -11.902 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.076 15.948 -12.339 1.00 0.00 H new ATOM 834 N LYS A 54 -6.998 13.815 -8.193 1.00 0.00 N ATOM 835 CA LYS A 54 -6.845 13.216 -6.873 1.00 0.00 C ATOM 836 C LYS A 54 -7.937 12.183 -6.615 1.00 0.00 C ATOM 837 O LYS A 54 -7.684 11.136 -6.017 1.00 0.00 O ATOM 838 CB LYS A 54 -6.885 14.297 -5.791 1.00 0.00 C ATOM 839 CG LYS A 54 -6.332 13.840 -4.452 1.00 0.00 C ATOM 840 CD LYS A 54 -7.003 14.561 -3.295 1.00 0.00 C ATOM 841 CE LYS A 54 -6.086 14.647 -2.085 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.748 15.320 -0.934 1.00 0.00 N ATOM 0 H LYS A 54 -7.045 14.834 -8.190 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.878 12.714 -6.840 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.317 15.162 -6.133 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.915 14.626 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.478 12.765 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.258 14.021 -4.420 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.290 15.565 -3.608 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.920 14.038 -3.022 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -5.778 13.644 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.181 15.192 -2.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.090 15.359 -0.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.019 16.286 -1.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.598 14.786 -0.661 1.00 0.00 H new ATOM 856 N GLN A 55 -9.149 12.483 -7.068 1.00 0.00 N ATOM 857 CA GLN A 55 -10.278 11.579 -6.886 1.00 0.00 C ATOM 858 C GLN A 55 -10.140 10.349 -7.777 1.00 0.00 C ATOM 859 O GLN A 55 -10.307 9.217 -7.321 1.00 0.00 O ATOM 860 CB GLN A 55 -11.591 12.300 -7.193 1.00 0.00 C ATOM 861 CG GLN A 55 -12.828 11.466 -6.899 1.00 0.00 C ATOM 862 CD GLN A 55 -13.232 11.518 -5.438 1.00 0.00 C ATOM 863 OE1 GLN A 55 -13.107 12.553 -4.784 1.00 0.00 O ATOM 864 NE2 GLN A 55 -13.723 10.397 -4.920 1.00 0.00 N ATOM 0 H GLN A 55 -9.375 13.345 -7.564 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.285 11.253 -5.846 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.636 13.219 -6.609 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -11.600 12.589 -8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.655 11.820 -7.514 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.640 10.431 -7.184 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -13.809 9.562 -5.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -14.014 10.372 -3.943 1.00 0.00 H new ATOM 873 N ARG A 56 -9.834 10.577 -9.050 1.00 0.00 N ATOM 874 CA ARG A 56 -9.676 9.488 -10.006 1.00 0.00 C ATOM 875 C ARG A 56 -8.672 8.458 -9.495 1.00 0.00 C ATOM 876 O ARG A 56 -8.933 7.256 -9.522 1.00 0.00 O ATOM 877 CB ARG A 56 -9.219 10.032 -11.361 1.00 0.00 C ATOM 878 CG ARG A 56 -8.820 8.949 -12.350 1.00 0.00 C ATOM 879 CD ARG A 56 -7.832 9.470 -13.380 1.00 0.00 C ATOM 880 NE ARG A 56 -8.369 10.603 -14.130 1.00 0.00 N ATOM 881 CZ ARG A 56 -7.622 11.415 -14.870 1.00 0.00 C ATOM 882 NH1 ARG A 56 -6.314 11.220 -14.959 1.00 0.00 N ATOM 883 NH2 ARG A 56 -8.184 12.425 -15.522 1.00 0.00 N ATOM 0 H ARG A 56 -9.690 11.507 -9.443 1.00 0.00 H new ATOM 0 HA ARG A 56 -10.643 9.000 -10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.023 10.628 -11.793 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.373 10.701 -11.207 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.378 8.110 -11.813 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -9.709 8.572 -12.856 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.911 9.770 -12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.572 8.668 -14.071 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.372 10.780 -14.083 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.879 10.445 -14.459 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.743 11.845 -15.528 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.190 12.578 -15.455 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.610 13.048 -16.090 1.00 0.00 H new ATOM 897 N TYR A 57 -7.524 8.939 -9.030 1.00 0.00 N ATOM 898 CA TYR A 57 -6.480 8.060 -8.515 1.00 0.00 C ATOM 899 C TYR A 57 -7.056 7.049 -7.529 1.00 0.00 C ATOM 900 O TYR A 57 -6.702 5.870 -7.552 1.00 0.00 O ATOM 901 CB TYR A 57 -5.381 8.882 -7.838 1.00 0.00 C ATOM 902 CG TYR A 57 -4.400 9.497 -8.810 1.00 0.00 C ATOM 903 CD1 TYR A 57 -3.691 8.707 -9.707 1.00 0.00 C ATOM 904 CD2 TYR A 57 -4.181 10.869 -8.831 1.00 0.00 C ATOM 905 CE1 TYR A 57 -2.793 9.265 -10.595 1.00 0.00 C ATOM 906 CE2 TYR A 57 -3.286 11.436 -9.717 1.00 0.00 C ATOM 907 CZ TYR A 57 -2.594 10.630 -10.597 1.00 0.00 C ATOM 908 OH TYR A 57 -1.700 11.190 -11.481 1.00 0.00 O ATOM 0 H TYR A 57 -7.293 9.932 -8.999 1.00 0.00 H new ATOM 0 HA TYR A 57 -6.051 7.515 -9.356 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -5.842 9.675 -7.250 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -4.838 8.243 -7.142 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -3.845 7.638 -9.710 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -4.720 11.503 -8.143 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -2.249 8.636 -11.284 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.129 12.504 -9.721 1.00 0.00 H new ATOM 0 HH TYR A 57 -1.678 12.161 -11.353 1.00 0.00 H new ATOM 918 N LEU A 58 -7.947 7.520 -6.663 1.00 0.00 N ATOM 919 CA LEU A 58 -8.575 6.658 -5.667 1.00 0.00 C ATOM 920 C LEU A 58 -9.328 5.513 -6.335 1.00 0.00 C ATOM 921 O LEU A 58 -9.043 4.341 -6.087 1.00 0.00 O ATOM 922 CB LEU A 58 -9.531 7.470 -4.792 1.00 0.00 C ATOM 923 CG LEU A 58 -8.978 8.781 -4.230 1.00 0.00 C ATOM 924 CD1 LEU A 58 -10.102 9.636 -3.667 1.00 0.00 C ATOM 925 CD2 LEU A 58 -7.928 8.504 -3.164 1.00 0.00 C ATOM 0 H LEU A 58 -8.251 8.493 -6.630 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.789 6.235 -5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.423 7.696 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.847 6.845 -3.957 1.00 0.00 H new ATOM 0 HG LEU A 58 -8.504 9.331 -5.042 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.690 10.564 -3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.817 9.864 -4.458 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.606 9.093 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.546 9.448 -2.776 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.376 7.932 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.108 7.933 -3.600 1.00 0.00 H new ATOM 937 N ASP A 59 -10.288 5.860 -7.186 1.00 0.00 N ATOM 938 CA ASP A 59 -11.081 4.860 -7.893 1.00 0.00 C ATOM 939 C ASP A 59 -10.178 3.869 -8.623 1.00 0.00 C ATOM 940 O ASP A 59 -10.373 2.657 -8.533 1.00 0.00 O ATOM 941 CB ASP A 59 -12.024 5.537 -8.888 1.00 0.00 C ATOM 942 CG ASP A 59 -13.206 4.660 -9.253 1.00 0.00 C ATOM 943 OD1 ASP A 59 -13.738 3.977 -8.355 1.00 0.00 O ATOM 944 OD2 ASP A 59 -13.598 4.657 -10.440 1.00 0.00 O ATOM 0 H ASP A 59 -10.536 6.825 -7.403 1.00 0.00 H new ATOM 0 HA ASP A 59 -11.672 4.314 -7.158 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -12.387 6.472 -8.462 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -11.471 5.792 -9.792 1.00 0.00 H new ATOM 949 N GLU A 60 -9.193 4.393 -9.345 1.00 0.00 N ATOM 950 CA GLU A 60 -8.264 3.553 -10.091 1.00 0.00 C ATOM 951 C GLU A 60 -7.780 2.386 -9.237 1.00 0.00 C ATOM 952 O GLU A 60 -7.824 1.232 -9.661 1.00 0.00 O ATOM 953 CB GLU A 60 -7.069 4.379 -10.571 1.00 0.00 C ATOM 954 CG GLU A 60 -7.410 5.352 -11.687 1.00 0.00 C ATOM 955 CD GLU A 60 -6.202 6.131 -12.171 1.00 0.00 C ATOM 956 OE1 GLU A 60 -5.821 7.113 -11.501 1.00 0.00 O ATOM 957 OE2 GLU A 60 -5.639 5.759 -13.221 1.00 0.00 O ATOM 0 H GLU A 60 -9.018 5.394 -9.429 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.791 3.152 -10.957 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.661 4.936 -9.727 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.286 3.703 -10.916 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.842 4.803 -12.523 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.171 6.049 -11.336 1.00 0.00 H new ATOM 964 N ALA A 61 -7.316 2.696 -8.031 1.00 0.00 N ATOM 965 CA ALA A 61 -6.824 1.673 -7.116 1.00 0.00 C ATOM 966 C ALA A 61 -7.949 0.740 -6.680 1.00 0.00 C ATOM 967 O ALA A 61 -7.779 -0.479 -6.650 1.00 0.00 O ATOM 968 CB ALA A 61 -6.172 2.320 -5.902 1.00 0.00 C ATOM 0 H ALA A 61 -7.270 3.647 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 61 -6.077 1.078 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -5.809 1.545 -5.227 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -5.336 2.940 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.904 2.939 -5.383 1.00 0.00 H new ATOM 974 N GLU A 62 -9.095 1.320 -6.341 1.00 0.00 N ATOM 975 CA GLU A 62 -10.247 0.538 -5.906 1.00 0.00 C ATOM 976 C GLU A 62 -10.491 -0.639 -6.844 1.00 0.00 C ATOM 977 O GLU A 62 -10.483 -1.797 -6.423 1.00 0.00 O ATOM 978 CB GLU A 62 -11.496 1.421 -5.842 1.00 0.00 C ATOM 979 CG GLU A 62 -11.450 2.459 -4.733 1.00 0.00 C ATOM 980 CD GLU A 62 -11.439 1.837 -3.351 1.00 0.00 C ATOM 981 OE1 GLU A 62 -12.038 0.754 -3.184 1.00 0.00 O ATOM 982 OE2 GLU A 62 -10.834 2.433 -2.436 1.00 0.00 O ATOM 0 H GLU A 62 -9.251 2.328 -6.359 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.034 0.149 -4.910 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.622 1.928 -6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.372 0.788 -5.700 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.561 3.077 -4.856 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.312 3.120 -4.823 1.00 0.00 H new ATOM 989 N LYS A 63 -10.709 -0.338 -8.119 1.00 0.00 N ATOM 990 CA LYS A 63 -10.956 -1.370 -9.120 1.00 0.00 C ATOM 991 C LYS A 63 -10.053 -2.577 -8.889 1.00 0.00 C ATOM 992 O LYS A 63 -10.530 -3.703 -8.756 1.00 0.00 O ATOM 993 CB LYS A 63 -10.729 -0.811 -10.525 1.00 0.00 C ATOM 994 CG LYS A 63 -11.843 0.104 -11.004 1.00 0.00 C ATOM 995 CD LYS A 63 -12.919 -0.669 -11.748 1.00 0.00 C ATOM 996 CE LYS A 63 -13.840 -1.406 -10.788 1.00 0.00 C ATOM 997 NZ LYS A 63 -13.357 -2.785 -10.502 1.00 0.00 N ATOM 0 H LYS A 63 -10.720 0.614 -8.485 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.994 -1.691 -9.027 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.788 -0.262 -10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.626 -1.641 -11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.286 0.616 -10.150 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.429 0.872 -11.657 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.504 0.017 -12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.452 -1.383 -12.427 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.914 -0.847 -9.855 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -14.843 -1.454 -11.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.945 -3.472 -11.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.368 -2.877 -10.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.420 -2.970 -9.481 1.00 0.00 H new ATOM 1011 N GLU A 64 -8.747 -2.334 -8.841 1.00 0.00 N ATOM 1012 CA GLU A 64 -7.779 -3.402 -8.626 1.00 0.00 C ATOM 1013 C GLU A 64 -7.986 -4.058 -7.263 1.00 0.00 C ATOM 1014 O GLU A 64 -7.963 -5.283 -7.141 1.00 0.00 O ATOM 1015 CB GLU A 64 -6.352 -2.858 -8.730 1.00 0.00 C ATOM 1016 CG GLU A 64 -5.858 -2.716 -10.159 1.00 0.00 C ATOM 1017 CD GLU A 64 -5.569 -4.054 -10.812 1.00 0.00 C ATOM 1018 OE1 GLU A 64 -4.460 -4.588 -10.606 1.00 0.00 O ATOM 1019 OE2 GLU A 64 -6.455 -4.566 -11.529 1.00 0.00 O ATOM 0 H GLU A 64 -8.335 -1.407 -8.948 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.930 -4.155 -9.400 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.306 -1.885 -8.240 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.679 -3.521 -8.186 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.606 -2.183 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.953 -2.109 -10.168 1.00 0.00 H new ATOM 1026 N LYS A 65 -8.190 -3.234 -6.241 1.00 0.00 N ATOM 1027 CA LYS A 65 -8.402 -3.731 -4.888 1.00 0.00 C ATOM 1028 C LYS A 65 -9.292 -4.970 -4.896 1.00 0.00 C ATOM 1029 O LYS A 65 -9.020 -5.946 -4.197 1.00 0.00 O ATOM 1030 CB LYS A 65 -9.033 -2.643 -4.016 1.00 0.00 C ATOM 1031 CG LYS A 65 -8.973 -2.945 -2.528 1.00 0.00 C ATOM 1032 CD LYS A 65 -9.566 -1.813 -1.706 1.00 0.00 C ATOM 1033 CE LYS A 65 -9.625 -2.170 -0.228 1.00 0.00 C ATOM 1034 NZ LYS A 65 -8.304 -2.001 0.437 1.00 0.00 N ATOM 0 H LYS A 65 -8.213 -2.218 -6.325 1.00 0.00 H new ATOM 0 HA LYS A 65 -7.432 -4.005 -4.473 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.526 -1.697 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.074 -2.512 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.514 -3.868 -2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.937 -3.109 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.968 -0.912 -1.840 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -10.569 -1.586 -2.067 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.364 -1.541 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.958 -3.202 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.387 -2.254 1.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.604 -2.620 -0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.997 -1.011 0.353 1.00 0.00 H new ATOM 1048 N GLN A 66 -10.354 -4.925 -5.694 1.00 0.00 N ATOM 1049 CA GLN A 66 -11.282 -6.044 -5.793 1.00 0.00 C ATOM 1050 C GLN A 66 -10.537 -7.348 -6.060 1.00 0.00 C ATOM 1051 O GLN A 66 -10.773 -8.356 -5.396 1.00 0.00 O ATOM 1052 CB GLN A 66 -12.304 -5.790 -6.903 1.00 0.00 C ATOM 1053 CG GLN A 66 -13.054 -4.477 -6.752 1.00 0.00 C ATOM 1054 CD GLN A 66 -13.850 -4.405 -5.464 1.00 0.00 C ATOM 1055 OE1 GLN A 66 -14.812 -5.149 -5.272 1.00 0.00 O ATOM 1056 NE2 GLN A 66 -13.451 -3.506 -4.570 1.00 0.00 N ATOM 0 H GLN A 66 -10.593 -4.126 -6.281 1.00 0.00 H new ATOM 0 HA GLN A 66 -11.805 -6.134 -4.841 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -11.792 -5.797 -7.865 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -13.023 -6.609 -6.918 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -12.343 -3.651 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -13.728 -4.348 -7.599 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -12.648 -2.909 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -13.948 -3.413 -3.684 1.00 0.00 H new ATOM 1065 N GLN A 67 -9.636 -7.319 -7.037 1.00 0.00 N ATOM 1066 CA GLN A 67 -8.857 -8.499 -7.393 1.00 0.00 C ATOM 1067 C GLN A 67 -8.162 -9.082 -6.166 1.00 0.00 C ATOM 1068 O GLN A 67 -8.065 -10.299 -6.015 1.00 0.00 O ATOM 1069 CB GLN A 67 -7.821 -8.150 -8.462 1.00 0.00 C ATOM 1070 CG GLN A 67 -7.300 -9.359 -9.222 1.00 0.00 C ATOM 1071 CD GLN A 67 -6.448 -8.974 -10.416 1.00 0.00 C ATOM 1072 OE1 GLN A 67 -5.325 -9.455 -10.572 1.00 0.00 O ATOM 1073 NE2 GLN A 67 -6.978 -8.102 -11.266 1.00 0.00 N ATOM 0 H GLN A 67 -9.428 -6.492 -7.596 1.00 0.00 H new ATOM 0 HA GLN A 67 -9.541 -9.248 -7.792 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.264 -7.449 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.982 -7.639 -7.990 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -6.713 -9.982 -8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.143 -9.962 -9.561 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.912 -7.729 -11.098 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.451 -7.805 -12.087 1.00 0.00 H new ATOM 1082 N TYR A 68 -7.679 -8.204 -5.293 1.00 0.00 N ATOM 1083 CA TYR A 68 -6.990 -8.632 -4.082 1.00 0.00 C ATOM 1084 C TYR A 68 -7.977 -9.192 -3.062 1.00 0.00 C ATOM 1085 O TYR A 68 -7.710 -10.204 -2.412 1.00 0.00 O ATOM 1086 CB TYR A 68 -6.217 -7.462 -3.470 1.00 0.00 C ATOM 1087 CG TYR A 68 -6.096 -7.538 -1.964 1.00 0.00 C ATOM 1088 CD1 TYR A 68 -7.180 -7.253 -1.144 1.00 0.00 C ATOM 1089 CD2 TYR A 68 -4.896 -7.898 -1.362 1.00 0.00 C ATOM 1090 CE1 TYR A 68 -7.072 -7.320 0.232 1.00 0.00 C ATOM 1091 CE2 TYR A 68 -4.780 -7.969 0.012 1.00 0.00 C ATOM 1092 CZ TYR A 68 -5.870 -7.679 0.805 1.00 0.00 C ATOM 1093 OH TYR A 68 -5.760 -7.750 2.174 1.00 0.00 O ATOM 0 H TYR A 68 -7.752 -7.192 -5.402 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.289 -9.421 -4.353 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -5.218 -7.430 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -6.712 -6.529 -3.740 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.124 -6.974 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.040 -8.126 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.924 -7.092 0.855 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -3.840 -8.250 0.463 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.849 -8.018 2.416 1.00 0.00 H new ATOM 1103 N LEU A 69 -9.121 -8.528 -2.929 1.00 0.00 N ATOM 1104 CA LEU A 69 -10.151 -8.959 -1.990 1.00 0.00 C ATOM 1105 C LEU A 69 -10.531 -10.417 -2.230 1.00 0.00 C ATOM 1106 O LEU A 69 -10.249 -11.288 -1.406 1.00 0.00 O ATOM 1107 CB LEU A 69 -11.389 -8.069 -2.116 1.00 0.00 C ATOM 1108 CG LEU A 69 -11.403 -6.812 -1.246 1.00 0.00 C ATOM 1109 CD1 LEU A 69 -12.545 -5.894 -1.653 1.00 0.00 C ATOM 1110 CD2 LEU A 69 -11.516 -7.185 0.226 1.00 0.00 C ATOM 0 H LEU A 69 -9.358 -7.690 -3.459 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.749 -8.869 -0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -11.490 -7.766 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.267 -8.666 -1.871 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.464 -6.279 -1.396 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.539 -5.005 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.422 -5.601 -2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.493 -6.418 -1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.525 -6.279 0.831 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.439 -7.740 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.665 -7.804 0.511 1.00 0.00 H new ATOM 1122 N LYS A 70 -11.173 -10.676 -3.365 1.00 0.00 N ATOM 1123 CA LYS A 70 -11.590 -12.028 -3.716 1.00 0.00 C ATOM 1124 C LYS A 70 -10.528 -13.046 -3.314 1.00 0.00 C ATOM 1125 O LYS A 70 -10.816 -14.008 -2.602 1.00 0.00 O ATOM 1126 CB LYS A 70 -11.861 -12.125 -5.219 1.00 0.00 C ATOM 1127 CG LYS A 70 -10.628 -11.901 -6.076 1.00 0.00 C ATOM 1128 CD LYS A 70 -10.980 -11.824 -7.553 1.00 0.00 C ATOM 1129 CE LYS A 70 -9.862 -12.376 -8.423 1.00 0.00 C ATOM 1130 NZ LYS A 70 -10.306 -12.590 -9.827 1.00 0.00 N ATOM 0 H LYS A 70 -11.415 -9.967 -4.057 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.507 -12.252 -3.172 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.274 -13.109 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -12.620 -11.391 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.134 -10.978 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.918 -12.712 -5.912 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.897 -12.383 -7.739 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -11.178 -10.788 -7.827 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -9.018 -11.686 -8.410 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -9.509 -13.319 -8.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -9.515 -12.967 -10.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.095 -13.267 -9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.619 -11.685 -10.234 1.00 0.00 H new ATOM 1144 N GLU A 71 -9.300 -12.829 -3.774 1.00 0.00 N ATOM 1145 CA GLU A 71 -8.196 -13.727 -3.461 1.00 0.00 C ATOM 1146 C GLU A 71 -8.099 -13.967 -1.957 1.00 0.00 C ATOM 1147 O GLU A 71 -8.094 -15.110 -1.497 1.00 0.00 O ATOM 1148 CB GLU A 71 -6.877 -13.154 -3.984 1.00 0.00 C ATOM 1149 CG GLU A 71 -6.597 -13.499 -5.437 1.00 0.00 C ATOM 1150 CD GLU A 71 -6.255 -14.963 -5.633 1.00 0.00 C ATOM 1151 OE1 GLU A 71 -6.610 -15.779 -4.757 1.00 0.00 O ATOM 1152 OE2 GLU A 71 -5.632 -15.294 -6.664 1.00 0.00 O ATOM 0 H GLU A 71 -9.045 -12.038 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.388 -14.681 -3.952 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.892 -12.070 -3.873 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.059 -13.526 -3.367 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.470 -13.250 -6.041 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.773 -12.885 -5.800 1.00 0.00 H new ATOM 1159 N LEU A 72 -8.020 -12.881 -1.196 1.00 0.00 N ATOM 1160 CA LEU A 72 -7.922 -12.970 0.257 1.00 0.00 C ATOM 1161 C LEU A 72 -8.672 -14.192 0.779 1.00 0.00 C ATOM 1162 O LEU A 72 -8.068 -15.117 1.322 1.00 0.00 O ATOM 1163 CB LEU A 72 -8.480 -11.702 0.905 1.00 0.00 C ATOM 1164 CG LEU A 72 -8.345 -11.610 2.425 1.00 0.00 C ATOM 1165 CD1 LEU A 72 -7.019 -12.201 2.881 1.00 0.00 C ATOM 1166 CD2 LEU A 72 -8.472 -10.165 2.885 1.00 0.00 C ATOM 0 H LEU A 72 -8.022 -11.928 -1.561 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.869 -13.072 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.978 -10.841 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.536 -11.622 0.649 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.151 -12.187 2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.941 -12.126 3.966 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.966 -13.249 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.198 -11.652 2.420 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.373 -10.118 3.970 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.687 -9.566 2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.447 -9.774 2.592 1.00 0.00 H new