USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 628 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 47 TYR OH : rot -91:sc= 0.049 USER MOD Set 1.2: A 56 HIS : no HE2:sc= -5.66! C(o=-5.6!,f=-5.3!) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -150:sc= -0.167 (180deg=-0.755) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.32 K(o=-1.3,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 3 -13.859 -0.831 5.888 1.00 0.00 N ATOM 43 CA LEU A 3 -12.490 -1.050 5.435 1.00 0.00 C ATOM 44 C LEU A 3 -12.008 -2.446 5.815 1.00 0.00 C ATOM 45 O LEU A 3 -12.598 -3.107 6.670 1.00 0.00 O ATOM 46 CB LEU A 3 -11.558 0.005 6.034 1.00 0.00 C ATOM 47 CG LEU A 3 -12.004 1.459 5.881 1.00 0.00 C ATOM 48 CD1 LEU A 3 -11.137 2.376 6.730 1.00 0.00 C ATOM 49 CD2 LEU A 3 -11.957 1.881 4.420 1.00 0.00 C ATOM 0 HA LEU A 3 -12.475 -0.964 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.437 -0.207 7.096 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.576 -0.103 5.574 1.00 0.00 H new ATOM 0 HG LEU A 3 -13.034 1.541 6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -11.470 3.407 6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -11.222 2.089 7.778 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.098 2.290 6.413 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.278 2.919 4.331 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.938 1.783 4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.621 1.244 3.836 1.00 0.00 H new ATOM 61 N VAL A 4 -10.930 -2.889 5.176 1.00 0.00 N ATOM 62 CA VAL A 4 -10.365 -4.205 5.449 1.00 0.00 C ATOM 63 C VAL A 4 -8.867 -4.231 5.168 1.00 0.00 C ATOM 64 O VAL A 4 -8.407 -3.700 4.157 1.00 0.00 O ATOM 65 CB VAL A 4 -11.053 -5.297 4.607 1.00 0.00 C ATOM 66 CG1 VAL A 4 -12.490 -5.498 5.064 1.00 0.00 C ATOM 67 CG2 VAL A 4 -11.000 -4.941 3.129 1.00 0.00 C ATOM 0 H VAL A 4 -10.430 -2.355 4.465 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.536 -4.409 6.506 1.00 0.00 H new ATOM 0 HB VAL A 4 -10.517 -6.235 4.751 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -12.960 -6.273 4.458 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -12.500 -5.801 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -13.042 -4.565 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -11.490 -5.723 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -11.511 -3.992 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -9.961 -4.853 2.813 1.00 0.00 H new ATOM 77 N GLU A 5 -8.112 -4.851 6.069 1.00 0.00 N ATOM 78 CA GLU A 5 -6.665 -4.944 5.917 1.00 0.00 C ATOM 79 C GLU A 5 -6.294 -5.979 4.858 1.00 0.00 C ATOM 80 O GLU A 5 -6.645 -7.154 4.974 1.00 0.00 O ATOM 81 CB GLU A 5 -6.012 -5.308 7.252 1.00 0.00 C ATOM 82 CG GLU A 5 -4.505 -5.487 7.164 1.00 0.00 C ATOM 83 CD GLU A 5 -3.917 -6.102 8.419 1.00 0.00 C ATOM 84 OE1 GLU A 5 -4.314 -5.685 9.527 1.00 0.00 O ATOM 85 OE2 GLU A 5 -3.059 -7.001 8.292 1.00 0.00 O ATOM 0 H GLU A 5 -8.478 -5.296 6.911 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.296 -3.971 5.594 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.235 -4.528 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.458 -6.230 7.625 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.267 -6.119 6.308 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.038 -4.519 6.985 1.00 0.00 H new ATOM 92 N ILE A 6 -5.584 -5.534 3.827 1.00 0.00 N ATOM 93 CA ILE A 6 -5.166 -6.421 2.749 1.00 0.00 C ATOM 94 C ILE A 6 -3.680 -6.747 2.850 1.00 0.00 C ATOM 95 O ILE A 6 -3.260 -7.868 2.567 1.00 0.00 O ATOM 96 CB ILE A 6 -5.451 -5.801 1.368 1.00 0.00 C ATOM 97 CG1 ILE A 6 -4.840 -4.401 1.277 1.00 0.00 C ATOM 98 CG2 ILE A 6 -6.950 -5.749 1.109 1.00 0.00 C ATOM 99 CD1 ILE A 6 -4.818 -3.842 -0.128 1.00 0.00 C ATOM 0 H ILE A 6 -5.286 -4.565 3.716 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.745 -7.339 2.853 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.992 -6.428 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.404 -3.725 1.920 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.821 -4.432 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.135 -5.308 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.359 -6.759 1.136 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.431 -5.142 1.876 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.372 -2.848 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -4.230 -4.497 -0.771 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.837 -3.778 -0.510 1.00 0.00 H new ATOM 111 N GLY A 7 -2.889 -5.759 3.258 1.00 0.00 N ATOM 112 CA GLY A 7 -1.458 -5.962 3.391 1.00 0.00 C ATOM 113 C GLY A 7 -0.822 -4.980 4.355 1.00 0.00 C ATOM 114 O GLY A 7 -1.478 -4.055 4.833 1.00 0.00 O ATOM 0 H GLY A 7 -3.213 -4.822 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.268 -6.979 3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.987 -5.863 2.413 1.00 0.00 H new ATOM 118 N ARG A 8 0.460 -5.183 4.643 1.00 0.00 N ATOM 119 CA ARG A 8 1.185 -4.311 5.559 1.00 0.00 C ATOM 120 C ARG A 8 2.573 -3.987 5.017 1.00 0.00 C ATOM 121 O ARG A 8 3.191 -4.804 4.333 1.00 0.00 O ATOM 122 CB ARG A 8 1.303 -4.966 6.936 1.00 0.00 C ATOM 123 CG ARG A 8 2.189 -4.197 7.903 1.00 0.00 C ATOM 124 CD ARG A 8 2.569 -5.046 9.106 1.00 0.00 C ATOM 125 NE ARG A 8 3.290 -6.255 8.717 1.00 0.00 N ATOM 126 CZ ARG A 8 3.826 -7.103 9.588 1.00 0.00 C ATOM 127 NH1 ARG A 8 3.721 -6.875 10.890 1.00 0.00 N ATOM 128 NH2 ARG A 8 4.467 -8.181 9.157 1.00 0.00 N ATOM 0 H ARG A 8 1.018 -5.944 4.255 1.00 0.00 H new ATOM 0 HA ARG A 8 0.625 -3.381 5.654 1.00 0.00 H new ATOM 0 HB2 ARG A 8 0.307 -5.064 7.369 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.700 -5.974 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 8 3.092 -3.869 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.669 -3.300 8.239 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.187 -4.458 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.668 -5.322 9.654 1.00 0.00 H new ATOM 0 HE ARG A 8 3.387 -6.459 7.722 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.228 -6.047 11.225 1.00 0.00 H new ATOM 0 HH12 ARG A 8 4.133 -7.527 11.557 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.549 -8.360 8.156 1.00 0.00 H new ATOM 0 HH22 ARG A 8 4.878 -8.832 9.826 1.00 0.00 H new ATOM 142 N PHE A 9 3.059 -2.789 5.325 1.00 0.00 N ATOM 143 CA PHE A 9 4.374 -2.356 4.867 1.00 0.00 C ATOM 144 C PHE A 9 5.481 -3.084 5.625 1.00 0.00 C ATOM 145 O PHE A 9 5.382 -3.302 6.832 1.00 0.00 O ATOM 146 CB PHE A 9 4.528 -0.844 5.047 1.00 0.00 C ATOM 147 CG PHE A 9 3.523 -0.043 4.269 1.00 0.00 C ATOM 148 CD1 PHE A 9 3.321 -0.283 2.919 1.00 0.00 C ATOM 149 CD2 PHE A 9 2.781 0.950 4.887 1.00 0.00 C ATOM 150 CE1 PHE A 9 2.398 0.453 2.201 1.00 0.00 C ATOM 151 CE2 PHE A 9 1.855 1.689 4.175 1.00 0.00 C ATOM 152 CZ PHE A 9 1.663 1.440 2.830 1.00 0.00 C ATOM 0 H PHE A 9 2.562 -2.101 5.890 1.00 0.00 H new ATOM 0 HA PHE A 9 4.461 -2.600 3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 9 4.434 -0.601 6.105 1.00 0.00 H new ATOM 0 HB3 PHE A 9 5.532 -0.550 4.740 1.00 0.00 H new ATOM 0 HD1 PHE A 9 3.892 -1.054 2.423 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.928 1.149 5.938 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.251 0.257 1.149 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.283 2.460 4.669 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.940 2.015 2.271 1.00 0.00 H new ATOM 162 N GLY A 10 6.534 -3.459 4.906 1.00 0.00 N ATOM 163 CA GLY A 10 7.644 -4.159 5.525 1.00 0.00 C ATOM 164 C GLY A 10 8.885 -3.295 5.638 1.00 0.00 C ATOM 165 O GLY A 10 9.136 -2.691 6.680 1.00 0.00 O ATOM 0 H GLY A 10 6.638 -3.290 3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.348 -4.496 6.518 1.00 0.00 H new ATOM 0 HA3 GLY A 10 7.878 -5.050 4.943 1.00 0.00 H new ATOM 169 N ALA A 11 9.663 -3.238 4.562 1.00 0.00 N ATOM 170 CA ALA A 11 10.884 -2.442 4.544 1.00 0.00 C ATOM 171 C ALA A 11 10.813 -1.352 3.481 1.00 0.00 C ATOM 172 O ALA A 11 10.180 -1.510 2.437 1.00 0.00 O ATOM 173 CB ALA A 11 12.093 -3.335 4.308 1.00 0.00 C ATOM 0 H ALA A 11 9.469 -3.733 3.692 1.00 0.00 H new ATOM 0 HA ALA A 11 10.988 -1.959 5.516 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.998 -2.727 4.297 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.162 -4.073 5.107 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.987 -3.845 3.351 1.00 0.00 H new ATOM 179 N PRO A 12 11.478 -0.218 3.749 1.00 0.00 N ATOM 180 CA PRO A 12 11.505 0.921 2.827 1.00 0.00 C ATOM 181 C PRO A 12 12.315 0.629 1.568 1.00 0.00 C ATOM 182 O PRO A 12 13.534 0.465 1.627 1.00 0.00 O ATOM 183 CB PRO A 12 12.173 2.027 3.648 1.00 0.00 C ATOM 184 CG PRO A 12 13.001 1.304 4.653 1.00 0.00 C ATOM 185 CD PRO A 12 12.254 0.039 4.974 1.00 0.00 C ATOM 0 HA PRO A 12 10.508 1.180 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.787 2.671 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.432 2.665 4.130 1.00 0.00 H new ATOM 0 HG2 PRO A 12 13.991 1.082 4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.145 1.910 5.548 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.934 -0.783 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.606 0.164 5.842 1.00 0.00 H new ATOM 193 N TYR A 13 11.631 0.565 0.432 1.00 0.00 N ATOM 194 CA TYR A 13 12.287 0.290 -0.841 1.00 0.00 C ATOM 195 C TYR A 13 13.483 1.214 -1.047 1.00 0.00 C ATOM 196 O TYR A 13 13.757 2.087 -0.224 1.00 0.00 O ATOM 197 CB TYR A 13 11.297 0.454 -1.995 1.00 0.00 C ATOM 198 CG TYR A 13 11.727 -0.243 -3.266 1.00 0.00 C ATOM 199 CD1 TYR A 13 11.830 -1.627 -3.322 1.00 0.00 C ATOM 200 CD2 TYR A 13 12.032 0.483 -4.411 1.00 0.00 C ATOM 201 CE1 TYR A 13 12.224 -2.269 -4.480 1.00 0.00 C ATOM 202 CE2 TYR A 13 12.425 -0.150 -5.574 1.00 0.00 C ATOM 203 CZ TYR A 13 12.520 -1.526 -5.604 1.00 0.00 C ATOM 204 OH TYR A 13 12.912 -2.160 -6.760 1.00 0.00 O ATOM 0 H TYR A 13 10.622 0.700 0.366 1.00 0.00 H new ATOM 0 HA TYR A 13 12.645 -0.740 -0.822 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.326 0.065 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.164 1.516 -2.200 1.00 0.00 H new ATOM 0 HD1 TYR A 13 11.598 -2.212 -2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 13 11.961 1.560 -4.391 1.00 0.00 H new ATOM 0 HE1 TYR A 13 12.300 -3.346 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 13 12.657 0.429 -6.456 1.00 0.00 H new ATOM 0 HH TYR A 13 13.082 -1.493 -7.458 1.00 0.00 H new ATOM 214 N ALA A 14 14.193 1.015 -2.154 1.00 0.00 N ATOM 215 CA ALA A 14 15.358 1.830 -2.471 1.00 0.00 C ATOM 216 C ALA A 14 15.082 3.307 -2.212 1.00 0.00 C ATOM 217 O ALA A 14 13.927 3.727 -2.124 1.00 0.00 O ATOM 218 CB ALA A 14 15.774 1.615 -3.919 1.00 0.00 C ATOM 0 H ALA A 14 13.981 0.296 -2.846 1.00 0.00 H new ATOM 0 HA ALA A 14 16.175 1.520 -1.819 1.00 0.00 H new ATOM 0 HB1 ALA A 14 16.646 2.230 -4.142 1.00 0.00 H new ATOM 0 HB2 ALA A 14 16.021 0.565 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 14 14.953 1.896 -4.579 1.00 0.00 H new ATOM 224 N LEU A 15 16.147 4.091 -2.089 1.00 0.00 N ATOM 225 CA LEU A 15 16.019 5.522 -1.839 1.00 0.00 C ATOM 226 C LEU A 15 14.938 6.135 -2.723 1.00 0.00 C ATOM 227 O LEU A 15 14.357 7.168 -2.388 1.00 0.00 O ATOM 228 CB LEU A 15 17.356 6.225 -2.086 1.00 0.00 C ATOM 229 CG LEU A 15 18.586 5.565 -1.463 1.00 0.00 C ATOM 230 CD1 LEU A 15 19.835 6.382 -1.754 1.00 0.00 C ATOM 231 CD2 LEU A 15 18.397 5.391 0.037 1.00 0.00 C ATOM 0 H LEU A 15 17.109 3.760 -2.158 1.00 0.00 H new ATOM 0 HA LEU A 15 15.731 5.659 -0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.513 6.296 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.284 7.244 -1.706 1.00 0.00 H new ATOM 0 HG LEU A 15 18.710 4.578 -1.909 1.00 0.00 H new ATOM 0 HD11 LEU A 15 20.700 5.897 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.980 6.453 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 15 19.721 7.382 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.283 4.920 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 15 18.246 6.366 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 15 17.526 4.762 0.224 1.00 0.00 H new ATOM 243 N LYS A 16 14.672 5.492 -3.855 1.00 0.00 N ATOM 244 CA LYS A 16 13.658 5.971 -4.787 1.00 0.00 C ATOM 245 C LYS A 16 12.416 6.448 -4.042 1.00 0.00 C ATOM 246 O LYS A 16 11.660 7.279 -4.544 1.00 0.00 O ATOM 247 CB LYS A 16 13.280 4.864 -5.774 1.00 0.00 C ATOM 248 CG LYS A 16 14.188 4.796 -6.989 1.00 0.00 C ATOM 249 CD LYS A 16 15.508 4.117 -6.662 1.00 0.00 C ATOM 250 CE LYS A 16 16.093 3.419 -7.880 1.00 0.00 C ATOM 251 NZ LYS A 16 15.198 2.341 -8.385 1.00 0.00 N ATOM 0 H LYS A 16 15.145 4.637 -4.149 1.00 0.00 H new ATOM 0 HA LYS A 16 14.076 6.814 -5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.306 3.904 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.254 5.020 -6.106 1.00 0.00 H new ATOM 0 HG2 LYS A 16 13.686 4.252 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 16 14.378 5.803 -7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 16 16.217 4.857 -6.290 1.00 0.00 H new ATOM 0 HD3 LYS A 16 15.357 3.391 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 16 16.263 4.150 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 16 17.064 2.995 -7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.770 1.593 -8.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 14.656 1.940 -7.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.541 2.736 -9.088 1.00 0.00 H new ATOM 265 N GLY A 17 12.211 5.918 -2.840 1.00 0.00 N ATOM 266 CA GLY A 17 11.060 6.304 -2.045 1.00 0.00 C ATOM 267 C GLY A 17 9.960 5.261 -2.074 1.00 0.00 C ATOM 268 O GLY A 17 8.819 5.542 -1.711 1.00 0.00 O ATOM 0 H GLY A 17 12.822 5.228 -2.403 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.373 6.469 -1.014 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.668 7.252 -2.415 1.00 0.00 H new ATOM 272 N GLY A 18 10.304 4.052 -2.509 1.00 0.00 N ATOM 273 CA GLY A 18 9.325 2.983 -2.578 1.00 0.00 C ATOM 274 C GLY A 18 9.117 2.300 -1.240 1.00 0.00 C ATOM 275 O GLY A 18 10.011 2.293 -0.393 1.00 0.00 O ATOM 0 H GLY A 18 11.242 3.794 -2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.375 3.387 -2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.648 2.245 -3.313 1.00 0.00 H new ATOM 279 N LEU A 19 7.935 1.726 -1.048 1.00 0.00 N ATOM 280 CA LEU A 19 7.612 1.039 0.197 1.00 0.00 C ATOM 281 C LEU A 19 7.153 -0.390 -0.073 1.00 0.00 C ATOM 282 O LEU A 19 6.202 -0.617 -0.821 1.00 0.00 O ATOM 283 CB LEU A 19 6.523 1.801 0.956 1.00 0.00 C ATOM 284 CG LEU A 19 6.983 3.042 1.722 1.00 0.00 C ATOM 285 CD1 LEU A 19 5.789 3.897 2.118 1.00 0.00 C ATOM 286 CD2 LEU A 19 7.787 2.643 2.951 1.00 0.00 C ATOM 0 H LEU A 19 7.184 1.723 -1.739 1.00 0.00 H new ATOM 0 HA LEU A 19 8.514 1.003 0.807 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.755 2.102 0.244 1.00 0.00 H new ATOM 0 HB3 LEU A 19 6.053 1.116 1.662 1.00 0.00 H new ATOM 0 HG LEU A 19 7.626 3.632 1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 19 6.135 4.776 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.254 4.212 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.121 3.316 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 19 8.106 3.539 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.168 2.031 3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.663 2.073 2.643 1.00 0.00 H new ATOM 298 N ARG A 20 7.834 -1.351 0.543 1.00 0.00 N ATOM 299 CA ARG A 20 7.496 -2.759 0.369 1.00 0.00 C ATOM 300 C ARG A 20 6.145 -3.076 1.005 1.00 0.00 C ATOM 301 O ARG A 20 6.035 -3.200 2.224 1.00 0.00 O ATOM 302 CB ARG A 20 8.581 -3.646 0.983 1.00 0.00 C ATOM 303 CG ARG A 20 9.819 -3.784 0.112 1.00 0.00 C ATOM 304 CD ARG A 20 10.832 -4.734 0.732 1.00 0.00 C ATOM 305 NE ARG A 20 11.680 -5.364 -0.277 1.00 0.00 N ATOM 306 CZ ARG A 20 12.616 -6.262 0.007 1.00 0.00 C ATOM 307 NH1 ARG A 20 12.825 -6.633 1.263 1.00 0.00 N ATOM 308 NH2 ARG A 20 13.347 -6.791 -0.966 1.00 0.00 N ATOM 0 H ARG A 20 8.623 -1.180 1.167 1.00 0.00 H new ATOM 0 HA ARG A 20 7.432 -2.962 -0.700 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.871 -3.234 1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.166 -4.636 1.170 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.533 -4.149 -0.874 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.276 -2.805 -0.030 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.455 -4.188 1.440 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.308 -5.504 1.297 1.00 0.00 H new ATOM 0 HE ARG A 20 11.546 -5.100 -1.253 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.266 -6.228 2.014 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.545 -7.323 1.478 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.190 -6.508 -1.933 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.066 -7.481 -0.747 1.00 0.00 H new ATOM 322 N PHE A 21 5.120 -3.205 0.169 1.00 0.00 N ATOM 323 CA PHE A 21 3.776 -3.505 0.649 1.00 0.00 C ATOM 324 C PHE A 21 3.406 -4.956 0.355 1.00 0.00 C ATOM 325 O PHE A 21 3.490 -5.410 -0.786 1.00 0.00 O ATOM 326 CB PHE A 21 2.758 -2.565 0.000 1.00 0.00 C ATOM 327 CG PHE A 21 1.343 -3.064 0.085 1.00 0.00 C ATOM 328 CD1 PHE A 21 0.623 -2.948 1.263 1.00 0.00 C ATOM 329 CD2 PHE A 21 0.734 -3.649 -1.014 1.00 0.00 C ATOM 330 CE1 PHE A 21 -0.679 -3.405 1.343 1.00 0.00 C ATOM 331 CE2 PHE A 21 -0.567 -4.108 -0.939 1.00 0.00 C ATOM 332 CZ PHE A 21 -1.274 -3.986 0.241 1.00 0.00 C ATOM 0 H PHE A 21 5.194 -3.107 -0.844 1.00 0.00 H new ATOM 0 HA PHE A 21 3.760 -3.356 1.729 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.820 -1.588 0.480 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.023 -2.423 -1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 21 1.084 -2.495 2.128 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.282 -3.747 -1.939 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.230 -3.308 2.267 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.031 -4.562 -1.802 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.291 -4.345 0.302 1.00 0.00 H new ATOM 342 N ARG A 22 2.996 -5.678 1.393 1.00 0.00 N ATOM 343 CA ARG A 22 2.614 -7.077 1.247 1.00 0.00 C ATOM 344 C ARG A 22 1.124 -7.265 1.514 1.00 0.00 C ATOM 345 O ARG A 22 0.698 -7.379 2.662 1.00 0.00 O ATOM 346 CB ARG A 22 3.428 -7.952 2.202 1.00 0.00 C ATOM 347 CG ARG A 22 2.972 -9.402 2.238 1.00 0.00 C ATOM 348 CD ARG A 22 3.306 -10.123 0.941 1.00 0.00 C ATOM 349 NE ARG A 22 2.441 -11.279 0.720 1.00 0.00 N ATOM 350 CZ ARG A 22 2.258 -11.844 -0.468 1.00 0.00 C ATOM 351 NH1 ARG A 22 2.876 -11.361 -1.537 1.00 0.00 N ATOM 352 NH2 ARG A 22 1.455 -12.893 -0.589 1.00 0.00 N ATOM 0 H ARG A 22 2.920 -5.317 2.344 1.00 0.00 H new ATOM 0 HA ARG A 22 2.822 -7.379 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.477 -7.917 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.364 -7.535 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.449 -9.914 3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.897 -9.442 2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.207 -9.431 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.346 -10.448 0.964 1.00 0.00 H new ATOM 0 HE ARG A 22 1.950 -11.674 1.522 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.493 -10.554 -1.448 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.734 -11.796 -2.448 1.00 0.00 H new ATOM 0 HH21 ARG A 22 0.977 -13.267 0.231 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.315 -13.326 -1.502 1.00 0.00 H new ATOM 366 N GLY A 23 0.335 -7.296 0.443 1.00 0.00 N ATOM 367 CA GLY A 23 -1.099 -7.469 0.583 1.00 0.00 C ATOM 368 C GLY A 23 -1.687 -8.342 -0.508 1.00 0.00 C ATOM 369 O GLY A 23 -0.989 -8.730 -1.444 1.00 0.00 O ATOM 0 H GLY A 23 0.664 -7.204 -0.518 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.315 -7.913 1.555 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.583 -6.493 0.563 1.00 0.00 H new ATOM 373 N GLU A 24 -2.973 -8.653 -0.385 1.00 0.00 N ATOM 374 CA GLU A 24 -3.653 -9.489 -1.368 1.00 0.00 C ATOM 375 C GLU A 24 -3.343 -9.021 -2.787 1.00 0.00 C ATOM 376 O GLU A 24 -2.982 -7.868 -3.023 1.00 0.00 O ATOM 377 CB GLU A 24 -5.164 -9.468 -1.131 1.00 0.00 C ATOM 378 CG GLU A 24 -5.609 -10.334 0.036 1.00 0.00 C ATOM 379 CD GLU A 24 -4.779 -10.102 1.284 1.00 0.00 C ATOM 380 OE1 GLU A 24 -3.637 -10.606 1.338 1.00 0.00 O ATOM 381 OE2 GLU A 24 -5.270 -9.418 2.206 1.00 0.00 O ATOM 0 H GLU A 24 -3.565 -8.339 0.384 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.289 -10.510 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.481 -8.441 -0.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.670 -9.804 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.656 -10.129 0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.543 -11.384 -0.250 1.00 0.00 H new ATOM 388 N PRO A 25 -3.487 -9.937 -3.757 1.00 0.00 N ATOM 389 CA PRO A 25 -3.229 -9.642 -5.169 1.00 0.00 C ATOM 390 C PRO A 25 -4.272 -8.704 -5.766 1.00 0.00 C ATOM 391 O PRO A 25 -4.054 -8.108 -6.821 1.00 0.00 O ATOM 392 CB PRO A 25 -3.302 -11.017 -5.838 1.00 0.00 C ATOM 393 CG PRO A 25 -4.176 -11.827 -4.943 1.00 0.00 C ATOM 394 CD PRO A 25 -3.914 -11.331 -3.548 1.00 0.00 C ATOM 0 HA PRO A 25 -2.275 -9.133 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.720 -10.947 -6.842 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.312 -11.463 -5.935 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -5.226 -11.706 -5.209 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.946 -12.889 -5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.807 -11.389 -2.926 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.141 -11.918 -3.051 1.00 0.00 H new ATOM 402 N VAL A 26 -5.406 -8.576 -5.084 1.00 0.00 N ATOM 403 CA VAL A 26 -6.482 -7.708 -5.546 1.00 0.00 C ATOM 404 C VAL A 26 -6.064 -6.243 -5.504 1.00 0.00 C ATOM 405 O VAL A 26 -6.731 -5.379 -6.072 1.00 0.00 O ATOM 406 CB VAL A 26 -7.755 -7.892 -4.698 1.00 0.00 C ATOM 407 CG1 VAL A 26 -7.463 -7.618 -3.230 1.00 0.00 C ATOM 408 CG2 VAL A 26 -8.868 -6.989 -5.206 1.00 0.00 C ATOM 0 H VAL A 26 -5.603 -9.063 -4.209 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.696 -7.992 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.086 -8.926 -4.791 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.374 -7.753 -2.647 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.699 -8.310 -2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.107 -6.594 -3.115 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -9.760 -7.132 -4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.549 -5.949 -5.144 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.094 -7.238 -6.243 1.00 0.00 H new ATOM 418 N VAL A 27 -4.953 -5.970 -4.826 1.00 0.00 N ATOM 419 CA VAL A 27 -4.443 -4.609 -4.710 1.00 0.00 C ATOM 420 C VAL A 27 -4.025 -4.061 -6.070 1.00 0.00 C ATOM 421 O VAL A 27 -3.866 -2.852 -6.243 1.00 0.00 O ATOM 422 CB VAL A 27 -3.242 -4.539 -3.749 1.00 0.00 C ATOM 423 CG1 VAL A 27 -2.009 -5.159 -4.389 1.00 0.00 C ATOM 424 CG2 VAL A 27 -2.973 -3.100 -3.337 1.00 0.00 C ATOM 0 H VAL A 27 -4.389 -6.674 -4.349 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.254 -4.000 -4.310 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.482 -5.110 -2.852 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.170 -5.100 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.210 -6.203 -4.628 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.762 -4.618 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.121 -3.069 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.753 -2.503 -4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.852 -2.695 -2.835 1.00 0.00 H new ATOM 434 N LEU A 28 -3.847 -4.958 -7.034 1.00 0.00 N ATOM 435 CA LEU A 28 -3.447 -4.566 -8.380 1.00 0.00 C ATOM 436 C LEU A 28 -4.604 -3.904 -9.122 1.00 0.00 C ATOM 437 O LEU A 28 -4.447 -3.437 -10.250 1.00 0.00 O ATOM 438 CB LEU A 28 -2.955 -5.785 -9.163 1.00 0.00 C ATOM 439 CG LEU A 28 -1.869 -6.623 -8.488 1.00 0.00 C ATOM 440 CD1 LEU A 28 -1.413 -7.745 -9.406 1.00 0.00 C ATOM 441 CD2 LEU A 28 -0.691 -5.746 -8.087 1.00 0.00 C ATOM 0 H LEU A 28 -3.974 -5.962 -6.908 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.635 -3.844 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.810 -6.430 -9.366 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.576 -5.444 -10.127 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.288 -7.068 -7.586 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.640 -8.331 -8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.260 -8.389 -9.642 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.011 -7.321 -10.327 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.072 -6.359 -7.608 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.272 -5.272 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.029 -4.978 -7.391 1.00 0.00 H new ATOM 453 N HIS A 29 -5.767 -3.867 -8.479 1.00 0.00 N ATOM 454 CA HIS A 29 -6.952 -3.259 -9.076 1.00 0.00 C ATOM 455 C HIS A 29 -7.378 -2.020 -8.296 1.00 0.00 C ATOM 456 O HIS A 29 -8.399 -1.401 -8.602 1.00 0.00 O ATOM 457 CB HIS A 29 -8.100 -4.268 -9.122 1.00 0.00 C ATOM 458 CG HIS A 29 -7.924 -5.329 -10.164 1.00 0.00 C ATOM 459 ND1 HIS A 29 -8.459 -5.234 -11.431 1.00 0.00 N ATOM 460 CD2 HIS A 29 -7.266 -6.511 -10.123 1.00 0.00 C ATOM 461 CE1 HIS A 29 -8.140 -6.313 -12.124 1.00 0.00 C ATOM 462 NE2 HIS A 29 -7.415 -7.104 -11.352 1.00 0.00 N ATOM 0 H HIS A 29 -5.914 -4.250 -7.545 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.703 -2.958 -10.093 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -8.195 -4.742 -8.145 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.033 -3.736 -9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.724 -6.913 -9.280 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.423 -6.514 -13.147 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.029 -8.008 -11.625 1.00 0.00 H new ATOM 470 N LEU A 30 -6.593 -1.662 -7.286 1.00 0.00 N ATOM 471 CA LEU A 30 -6.889 -0.497 -6.461 1.00 0.00 C ATOM 472 C LEU A 30 -6.183 0.744 -6.997 1.00 0.00 C ATOM 473 O LEU A 30 -5.386 0.661 -7.931 1.00 0.00 O ATOM 474 CB LEU A 30 -6.468 -0.751 -5.013 1.00 0.00 C ATOM 475 CG LEU A 30 -7.361 -1.697 -4.210 1.00 0.00 C ATOM 476 CD1 LEU A 30 -6.759 -1.967 -2.840 1.00 0.00 C ATOM 477 CD2 LEU A 30 -8.763 -1.120 -4.074 1.00 0.00 C ATOM 0 H LEU A 30 -5.746 -2.163 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.965 -0.324 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -5.455 -1.154 -5.016 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.428 0.207 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.429 -2.643 -4.747 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.409 -2.642 -2.284 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.777 -2.424 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.659 -1.028 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.385 -1.807 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.713 -0.160 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.196 -0.980 -5.064 1.00 0.00 H new ATOM 489 N GLU A 31 -6.480 1.894 -6.399 1.00 0.00 N ATOM 490 CA GLU A 31 -5.872 3.151 -6.816 1.00 0.00 C ATOM 491 C GLU A 31 -5.305 3.906 -5.617 1.00 0.00 C ATOM 492 O GLU A 31 -4.214 4.472 -5.686 1.00 0.00 O ATOM 493 CB GLU A 31 -6.898 4.023 -7.543 1.00 0.00 C ATOM 494 CG GLU A 31 -7.280 3.498 -8.916 1.00 0.00 C ATOM 495 CD GLU A 31 -8.647 3.975 -9.365 1.00 0.00 C ATOM 496 OE1 GLU A 31 -8.767 5.157 -9.750 1.00 0.00 O ATOM 497 OE2 GLU A 31 -9.598 3.166 -9.330 1.00 0.00 O ATOM 0 H GLU A 31 -7.138 1.980 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.054 2.920 -7.498 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.796 4.100 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.496 5.031 -7.648 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.532 3.815 -9.643 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.267 2.408 -8.900 1.00 0.00 H new ATOM 504 N ARG A 32 -6.055 3.910 -4.520 1.00 0.00 N ATOM 505 CA ARG A 32 -5.629 4.597 -3.306 1.00 0.00 C ATOM 506 C ARG A 32 -5.492 3.615 -2.146 1.00 0.00 C ATOM 507 O ARG A 32 -5.937 2.470 -2.232 1.00 0.00 O ATOM 508 CB ARG A 32 -6.625 5.699 -2.942 1.00 0.00 C ATOM 509 CG ARG A 32 -7.911 5.177 -2.322 1.00 0.00 C ATOM 510 CD ARG A 32 -8.755 6.307 -1.754 1.00 0.00 C ATOM 511 NE ARG A 32 -10.087 5.853 -1.364 1.00 0.00 N ATOM 512 CZ ARG A 32 -10.898 6.548 -0.574 1.00 0.00 C ATOM 513 NH1 ARG A 32 -10.514 7.722 -0.092 1.00 0.00 N ATOM 514 NH2 ARG A 32 -12.095 6.068 -0.264 1.00 0.00 N ATOM 0 H ARG A 32 -6.960 3.446 -4.447 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.654 5.047 -3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.150 6.390 -2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.869 6.268 -3.839 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.485 4.635 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -7.672 4.467 -1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.251 6.736 -0.888 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.845 7.100 -2.496 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.412 4.953 -1.717 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -9.594 8.094 -0.328 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -11.139 8.253 0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.393 5.165 -0.632 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.717 6.602 0.343 1.00 0.00 H new ATOM 528 N VAL A 33 -4.874 4.071 -1.061 1.00 0.00 N ATOM 529 CA VAL A 33 -4.679 3.234 0.116 1.00 0.00 C ATOM 530 C VAL A 33 -4.908 4.027 1.398 1.00 0.00 C ATOM 531 O VAL A 33 -5.110 5.241 1.362 1.00 0.00 O ATOM 532 CB VAL A 33 -3.263 2.628 0.147 1.00 0.00 C ATOM 533 CG1 VAL A 33 -3.167 1.448 -0.808 1.00 0.00 C ATOM 534 CG2 VAL A 33 -2.224 3.686 -0.193 1.00 0.00 C ATOM 0 H VAL A 33 -4.500 5.016 -0.973 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.410 2.428 0.055 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.063 2.266 1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.160 1.033 -0.773 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.886 0.683 -0.514 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.387 1.782 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.229 3.241 -0.167 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.419 4.080 -1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.278 4.496 0.534 1.00 0.00 H new ATOM 544 N TYR A 34 -4.875 3.333 2.530 1.00 0.00 N ATOM 545 CA TYR A 34 -5.081 3.971 3.825 1.00 0.00 C ATOM 546 C TYR A 34 -3.982 3.579 4.807 1.00 0.00 C ATOM 547 O TYR A 34 -3.833 2.408 5.155 1.00 0.00 O ATOM 548 CB TYR A 34 -6.449 3.589 4.393 1.00 0.00 C ATOM 549 CG TYR A 34 -6.721 4.175 5.761 1.00 0.00 C ATOM 550 CD1 TYR A 34 -6.056 5.315 6.195 1.00 0.00 C ATOM 551 CD2 TYR A 34 -7.644 3.588 6.618 1.00 0.00 C ATOM 552 CE1 TYR A 34 -6.301 5.852 7.444 1.00 0.00 C ATOM 553 CE2 TYR A 34 -7.897 4.120 7.868 1.00 0.00 C ATOM 554 CZ TYR A 34 -7.223 5.251 8.276 1.00 0.00 C ATOM 555 OH TYR A 34 -7.471 5.785 9.520 1.00 0.00 O ATOM 0 H TYR A 34 -4.707 2.328 2.577 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.044 5.051 3.680 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.225 3.921 3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.518 2.503 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.336 5.789 5.545 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.173 2.701 6.302 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.774 6.737 7.767 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.619 3.652 8.521 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.147 5.244 9.979 1.00 0.00 H new ATOM 565 N VAL A 35 -3.214 4.569 5.251 1.00 0.00 N ATOM 566 CA VAL A 35 -2.129 4.330 6.195 1.00 0.00 C ATOM 567 C VAL A 35 -2.634 4.363 7.633 1.00 0.00 C ATOM 568 O VAL A 35 -2.749 5.430 8.236 1.00 0.00 O ATOM 569 CB VAL A 35 -1.005 5.370 6.033 1.00 0.00 C ATOM 570 CG1 VAL A 35 0.169 5.034 6.941 1.00 0.00 C ATOM 571 CG2 VAL A 35 -0.560 5.452 4.581 1.00 0.00 C ATOM 0 H VAL A 35 -3.323 5.544 4.972 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.731 3.339 5.976 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.392 6.346 6.326 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.953 5.780 6.813 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.163 5.032 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.559 4.049 6.682 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.235 6.192 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.191 4.479 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.405 5.744 3.957 1.00 0.00 H new ATOM 581 N GLU A 36 -2.933 3.188 8.177 1.00 0.00 N ATOM 582 CA GLU A 36 -3.426 3.083 9.545 1.00 0.00 C ATOM 583 C GLU A 36 -2.405 3.636 10.536 1.00 0.00 C ATOM 584 O GLU A 36 -1.442 2.959 10.893 1.00 0.00 O ATOM 585 CB GLU A 36 -3.746 1.626 9.886 1.00 0.00 C ATOM 586 CG GLU A 36 -4.072 1.401 11.353 1.00 0.00 C ATOM 587 CD GLU A 36 -5.536 1.641 11.669 1.00 0.00 C ATOM 588 OE1 GLU A 36 -6.355 1.635 10.727 1.00 0.00 O ATOM 589 OE2 GLU A 36 -5.861 1.833 12.859 1.00 0.00 O ATOM 0 H GLU A 36 -2.842 2.296 7.691 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.338 3.675 9.621 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.590 1.297 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.895 1.002 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -3.808 0.380 11.628 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.459 2.064 11.963 1.00 0.00 H new ATOM 596 N GLY A 37 -2.624 4.871 10.974 1.00 0.00 N ATOM 597 CA GLY A 37 -1.715 5.495 11.918 1.00 0.00 C ATOM 598 C GLY A 37 -1.547 6.981 11.667 1.00 0.00 C ATOM 599 O GLY A 37 -1.484 7.773 12.607 1.00 0.00 O ATOM 0 H GLY A 37 -3.414 5.451 10.692 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.086 5.341 12.931 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.742 5.007 11.857 1.00 0.00 H new ATOM 603 N HIS A 38 -1.474 7.360 10.395 1.00 0.00 N ATOM 604 CA HIS A 38 -1.312 8.761 10.023 1.00 0.00 C ATOM 605 C HIS A 38 -2.528 9.262 9.250 1.00 0.00 C ATOM 606 O HIS A 38 -3.384 9.954 9.800 1.00 0.00 O ATOM 607 CB HIS A 38 -0.048 8.944 9.183 1.00 0.00 C ATOM 608 CG HIS A 38 1.220 8.750 9.956 1.00 0.00 C ATOM 609 ND1 HIS A 38 2.430 9.284 9.566 1.00 0.00 N ATOM 610 CD2 HIS A 38 1.461 8.077 11.106 1.00 0.00 C ATOM 611 CE1 HIS A 38 3.360 8.946 10.440 1.00 0.00 C ATOM 612 NE2 HIS A 38 2.798 8.214 11.385 1.00 0.00 N ATOM 0 H HIS A 38 -1.524 6.717 9.605 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.219 9.346 10.938 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.069 8.238 8.352 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.051 9.945 8.751 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.736 7.534 11.694 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.403 9.221 10.391 1.00 0.00 H new ATOM 0 HE2 HIS A 38 3.279 7.815 12.191 1.00 0.00 H new ATOM 620 N GLY A 39 -2.597 8.908 7.970 1.00 0.00 N ATOM 621 CA GLY A 39 -3.711 9.332 7.143 1.00 0.00 C ATOM 622 C GLY A 39 -3.858 8.488 5.892 1.00 0.00 C ATOM 623 O GLY A 39 -3.088 7.554 5.672 1.00 0.00 O ATOM 0 H GLY A 39 -1.901 8.335 7.492 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.632 9.279 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.573 10.375 6.860 1.00 0.00 H new ATOM 627 N TRP A 40 -4.850 8.817 5.072 1.00 0.00 N ATOM 628 CA TRP A 40 -5.096 8.081 3.837 1.00 0.00 C ATOM 629 C TRP A 40 -4.141 8.529 2.737 1.00 0.00 C ATOM 630 O TRP A 40 -4.089 9.710 2.390 1.00 0.00 O ATOM 631 CB TRP A 40 -6.544 8.275 3.383 1.00 0.00 C ATOM 632 CG TRP A 40 -7.497 7.302 4.007 1.00 0.00 C ATOM 633 CD1 TRP A 40 -7.986 7.335 5.282 1.00 0.00 C ATOM 634 CD2 TRP A 40 -8.076 6.150 3.384 1.00 0.00 C ATOM 635 NE1 TRP A 40 -8.833 6.273 5.489 1.00 0.00 N ATOM 636 CE2 TRP A 40 -8.906 5.532 4.340 1.00 0.00 C ATOM 637 CE3 TRP A 40 -7.975 5.581 2.111 1.00 0.00 C ATOM 638 CZ2 TRP A 40 -9.628 4.375 4.061 1.00 0.00 C ATOM 639 CZ3 TRP A 40 -8.693 4.433 1.836 1.00 0.00 C ATOM 640 CH2 TRP A 40 -9.511 3.840 2.807 1.00 0.00 C ATOM 0 H TRP A 40 -5.496 9.588 5.240 1.00 0.00 H new ATOM 0 HA TRP A 40 -4.923 7.023 4.033 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.861 9.289 3.626 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.594 8.177 2.299 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.743 8.086 6.019 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.327 6.070 6.358 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -7.347 6.031 1.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.258 3.916 4.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -8.623 3.985 0.856 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -10.060 2.943 2.561 1.00 0.00 H new ATOM 651 N ARG A 41 -3.387 7.581 2.191 1.00 0.00 N ATOM 652 CA ARG A 41 -2.432 7.880 1.130 1.00 0.00 C ATOM 653 C ARG A 41 -2.882 7.269 -0.194 1.00 0.00 C ATOM 654 O ARG A 41 -3.682 6.333 -0.218 1.00 0.00 O ATOM 655 CB ARG A 41 -1.044 7.355 1.500 1.00 0.00 C ATOM 656 CG ARG A 41 -0.302 8.240 2.488 1.00 0.00 C ATOM 657 CD ARG A 41 0.355 9.422 1.792 1.00 0.00 C ATOM 658 NE ARG A 41 0.910 10.379 2.745 1.00 0.00 N ATOM 659 CZ ARG A 41 1.736 11.362 2.403 1.00 0.00 C ATOM 660 NH1 ARG A 41 2.098 11.517 1.138 1.00 0.00 N ATOM 661 NH2 ARG A 41 2.199 12.192 3.329 1.00 0.00 N ATOM 0 H ARG A 41 -3.419 6.599 2.466 1.00 0.00 H new ATOM 0 HA ARG A 41 -2.384 8.963 1.014 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.144 6.356 1.924 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.448 7.258 0.593 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.996 8.603 3.246 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.457 7.653 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.148 9.062 1.137 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.378 9.923 1.160 1.00 0.00 H new ATOM 0 HE ARG A 41 0.649 10.288 3.727 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.742 10.881 0.424 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.732 12.272 0.878 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.921 12.075 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.833 12.947 3.066 1.00 0.00 H new ATOM 675 N ALA A 42 -2.364 7.805 -1.294 1.00 0.00 N ATOM 676 CA ALA A 42 -2.711 7.312 -2.621 1.00 0.00 C ATOM 677 C ALA A 42 -1.535 6.579 -3.259 1.00 0.00 C ATOM 678 O ALA A 42 -0.384 6.776 -2.870 1.00 0.00 O ATOM 679 CB ALA A 42 -3.163 8.461 -3.509 1.00 0.00 C ATOM 0 H ALA A 42 -1.702 8.581 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.533 6.604 -2.515 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -3.419 8.078 -4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -4.037 8.940 -3.068 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.357 9.189 -3.600 1.00 0.00 H new ATOM 685 N ILE A 43 -1.833 5.734 -4.240 1.00 0.00 N ATOM 686 CA ILE A 43 -0.800 4.972 -4.931 1.00 0.00 C ATOM 687 C ILE A 43 -0.407 5.644 -6.243 1.00 0.00 C ATOM 688 O ILE A 43 -1.262 6.128 -6.984 1.00 0.00 O ATOM 689 CB ILE A 43 -1.262 3.533 -5.223 1.00 0.00 C ATOM 690 CG1 ILE A 43 -1.609 2.811 -3.919 1.00 0.00 C ATOM 691 CG2 ILE A 43 -0.185 2.774 -5.984 1.00 0.00 C ATOM 692 CD1 ILE A 43 -2.276 1.470 -4.130 1.00 0.00 C ATOM 0 H ILE A 43 -2.781 5.560 -4.574 1.00 0.00 H new ATOM 0 HA ILE A 43 0.065 4.939 -4.268 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.157 3.574 -5.844 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.697 2.667 -3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.267 3.446 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.527 1.758 -6.183 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.018 3.280 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.726 2.740 -5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.493 1.016 -3.163 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.205 1.609 -4.683 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.611 0.818 -4.696 1.00 0.00 H new ATOM 704 N GLU A 44 0.892 5.667 -6.524 1.00 0.00 N ATOM 705 CA GLU A 44 1.397 6.279 -7.747 1.00 0.00 C ATOM 706 C GLU A 44 1.987 5.224 -8.679 1.00 0.00 C ATOM 707 O GLU A 44 1.798 5.279 -9.895 1.00 0.00 O ATOM 708 CB GLU A 44 2.456 7.332 -7.417 1.00 0.00 C ATOM 709 CG GLU A 44 1.886 8.593 -6.789 1.00 0.00 C ATOM 710 CD GLU A 44 1.406 9.594 -7.822 1.00 0.00 C ATOM 711 OE1 GLU A 44 0.373 9.329 -8.471 1.00 0.00 O ATOM 712 OE2 GLU A 44 2.065 10.643 -7.980 1.00 0.00 O ATOM 0 H GLU A 44 1.613 5.269 -5.922 1.00 0.00 H new ATOM 0 HA GLU A 44 0.561 6.761 -8.254 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.189 6.897 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.987 7.599 -8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.056 8.325 -6.135 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.647 9.059 -6.163 1.00 0.00 H new ATOM 719 N ASP A 45 2.702 4.265 -8.101 1.00 0.00 N ATOM 720 CA ASP A 45 3.319 3.197 -8.878 1.00 0.00 C ATOM 721 C ASP A 45 3.664 2.007 -7.989 1.00 0.00 C ATOM 722 O ASP A 45 4.346 2.154 -6.973 1.00 0.00 O ATOM 723 CB ASP A 45 4.579 3.709 -9.578 1.00 0.00 C ATOM 724 CG ASP A 45 4.266 4.465 -10.854 1.00 0.00 C ATOM 725 OD1 ASP A 45 3.735 3.843 -11.798 1.00 0.00 O ATOM 726 OD2 ASP A 45 4.552 5.680 -10.908 1.00 0.00 O ATOM 0 H ASP A 45 2.869 4.206 -7.096 1.00 0.00 H new ATOM 0 HA ASP A 45 2.602 2.869 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.129 4.360 -8.899 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.231 2.866 -9.809 1.00 0.00 H new ATOM 731 N LEU A 46 3.188 0.828 -8.375 1.00 0.00 N ATOM 732 CA LEU A 46 3.445 -0.388 -7.612 1.00 0.00 C ATOM 733 C LEU A 46 3.630 -1.585 -8.540 1.00 0.00 C ATOM 734 O LEU A 46 3.131 -1.593 -9.666 1.00 0.00 O ATOM 735 CB LEU A 46 2.295 -0.656 -6.640 1.00 0.00 C ATOM 736 CG LEU A 46 1.046 -1.304 -7.239 1.00 0.00 C ATOM 737 CD1 LEU A 46 1.254 -2.801 -7.415 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.168 -1.032 -6.363 1.00 0.00 C ATOM 0 H LEU A 46 2.622 0.689 -9.212 1.00 0.00 H new ATOM 0 HA LEU A 46 4.366 -0.244 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.664 -1.297 -5.840 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.005 0.290 -6.182 1.00 0.00 H new ATOM 0 HG LEU A 46 0.867 -0.865 -8.220 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.355 -3.245 -7.842 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.098 -2.975 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.458 -3.256 -6.446 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.048 -1.500 -6.805 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.002 -1.444 -5.368 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.329 0.043 -6.288 1.00 0.00 H new ATOM 750 N TYR A 47 4.349 -2.593 -8.060 1.00 0.00 N ATOM 751 CA TYR A 47 4.601 -3.795 -8.847 1.00 0.00 C ATOM 752 C TYR A 47 5.109 -4.929 -7.962 1.00 0.00 C ATOM 753 O TYR A 47 5.868 -4.704 -7.020 1.00 0.00 O ATOM 754 CB TYR A 47 5.616 -3.502 -9.953 1.00 0.00 C ATOM 755 CG TYR A 47 6.698 -2.530 -9.541 1.00 0.00 C ATOM 756 CD1 TYR A 47 7.668 -2.891 -8.614 1.00 0.00 C ATOM 757 CD2 TYR A 47 6.751 -1.250 -10.079 1.00 0.00 C ATOM 758 CE1 TYR A 47 8.657 -2.005 -8.233 1.00 0.00 C ATOM 759 CE2 TYR A 47 7.737 -0.358 -9.706 1.00 0.00 C ATOM 760 CZ TYR A 47 8.688 -0.740 -8.782 1.00 0.00 C ATOM 761 OH TYR A 47 9.673 0.145 -8.407 1.00 0.00 O ATOM 0 H TYR A 47 4.768 -2.602 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 47 3.660 -4.106 -9.300 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.080 -4.437 -10.266 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.090 -3.101 -10.820 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.648 -3.881 -8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.008 -0.947 -10.802 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.402 -2.301 -7.509 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.764 0.633 -10.135 1.00 0.00 H new ATOM 0 HH TYR A 47 9.361 0.679 -7.647 1.00 0.00 H new ATOM 771 N ARG A 48 4.683 -6.149 -8.273 1.00 0.00 N ATOM 772 CA ARG A 48 5.093 -7.320 -7.507 1.00 0.00 C ATOM 773 C ARG A 48 6.504 -7.754 -7.892 1.00 0.00 C ATOM 774 O ARG A 48 6.702 -8.441 -8.894 1.00 0.00 O ATOM 775 CB ARG A 48 4.114 -8.472 -7.733 1.00 0.00 C ATOM 776 CG ARG A 48 4.028 -8.924 -9.181 1.00 0.00 C ATOM 777 CD ARG A 48 2.662 -9.509 -9.503 1.00 0.00 C ATOM 778 NE ARG A 48 2.551 -10.904 -9.083 1.00 0.00 N ATOM 779 CZ ARG A 48 1.571 -11.712 -9.469 1.00 0.00 C ATOM 780 NH1 ARG A 48 0.621 -11.267 -10.280 1.00 0.00 N ATOM 781 NH2 ARG A 48 1.539 -12.969 -9.045 1.00 0.00 N ATOM 0 H ARG A 48 4.054 -6.352 -9.050 1.00 0.00 H new ATOM 0 HA ARG A 48 5.089 -7.052 -6.451 1.00 0.00 H new ATOM 0 HB2 ARG A 48 4.413 -9.318 -7.114 1.00 0.00 H new ATOM 0 HB3 ARG A 48 3.123 -8.166 -7.397 1.00 0.00 H new ATOM 0 HG2 ARG A 48 4.227 -8.078 -9.839 1.00 0.00 H new ATOM 0 HG3 ARG A 48 4.799 -9.669 -9.377 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.890 -8.919 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.481 -9.438 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 48 3.266 -11.278 -8.459 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.642 -10.302 -10.609 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.131 -11.890 -10.575 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.268 -13.316 -8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.785 -13.589 -9.342 1.00 0.00 H new ATOM 795 N VAL A 49 7.483 -7.349 -7.089 1.00 0.00 N ATOM 796 CA VAL A 49 8.876 -7.697 -7.345 1.00 0.00 C ATOM 797 C VAL A 49 9.181 -9.117 -6.884 1.00 0.00 C ATOM 798 O VAL A 49 9.249 -9.391 -5.686 1.00 0.00 O ATOM 799 CB VAL A 49 9.837 -6.722 -6.639 1.00 0.00 C ATOM 800 CG1 VAL A 49 11.282 -7.127 -6.882 1.00 0.00 C ATOM 801 CG2 VAL A 49 9.588 -5.296 -7.108 1.00 0.00 C ATOM 0 H VAL A 49 7.337 -6.779 -6.255 1.00 0.00 H new ATOM 0 HA VAL A 49 9.027 -7.628 -8.422 1.00 0.00 H new ATOM 0 HB VAL A 49 9.648 -6.766 -5.566 1.00 0.00 H new ATOM 0 HG11 VAL A 49 11.946 -6.427 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 49 11.449 -8.131 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.489 -7.114 -7.952 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.276 -4.620 -6.599 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.748 -5.234 -8.184 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.562 -5.011 -6.877 1.00 0.00 H new ATOM 811 N GLY A 50 9.365 -10.019 -7.843 1.00 0.00 N ATOM 812 CA GLY A 50 9.662 -11.401 -7.515 1.00 0.00 C ATOM 813 C GLY A 50 8.604 -12.026 -6.627 1.00 0.00 C ATOM 814 O GLY A 50 7.535 -12.408 -7.100 1.00 0.00 O ATOM 0 H GLY A 50 9.314 -9.817 -8.842 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.748 -11.979 -8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 50 10.629 -11.453 -7.015 1.00 0.00 H new ATOM 818 N GLU A 51 8.905 -12.132 -5.337 1.00 0.00 N ATOM 819 CA GLU A 51 7.972 -12.718 -4.381 1.00 0.00 C ATOM 820 C GLU A 51 7.511 -11.679 -3.363 1.00 0.00 C ATOM 821 O GLU A 51 7.262 -12.001 -2.202 1.00 0.00 O ATOM 822 CB GLU A 51 8.621 -13.901 -3.661 1.00 0.00 C ATOM 823 CG GLU A 51 7.621 -14.923 -3.146 1.00 0.00 C ATOM 824 CD GLU A 51 8.235 -15.892 -2.154 1.00 0.00 C ATOM 825 OE1 GLU A 51 9.003 -16.777 -2.586 1.00 0.00 O ATOM 826 OE2 GLU A 51 7.948 -15.765 -0.946 1.00 0.00 O ATOM 0 H GLU A 51 9.787 -11.820 -4.930 1.00 0.00 H new ATOM 0 HA GLU A 51 7.101 -13.071 -4.933 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.314 -14.395 -4.342 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.210 -13.527 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.788 -14.404 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.212 -15.481 -3.988 1.00 0.00 H new ATOM 833 N GLU A 52 7.402 -10.431 -3.808 1.00 0.00 N ATOM 834 CA GLU A 52 6.973 -9.344 -2.935 1.00 0.00 C ATOM 835 C GLU A 52 6.341 -8.215 -3.743 1.00 0.00 C ATOM 836 O GLU A 52 6.293 -8.267 -4.973 1.00 0.00 O ATOM 837 CB GLU A 52 8.159 -8.809 -2.131 1.00 0.00 C ATOM 838 CG GLU A 52 8.841 -9.864 -1.276 1.00 0.00 C ATOM 839 CD GLU A 52 9.691 -9.262 -0.174 1.00 0.00 C ATOM 840 OE1 GLU A 52 9.204 -8.343 0.516 1.00 0.00 O ATOM 841 OE2 GLU A 52 10.843 -9.712 -0.001 1.00 0.00 O ATOM 0 H GLU A 52 7.605 -10.148 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 52 6.225 -9.738 -2.247 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.890 -8.382 -2.818 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.815 -7.999 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.085 -10.512 -0.833 1.00 0.00 H new ATOM 0 HG3 GLU A 52 9.467 -10.492 -1.911 1.00 0.00 H new ATOM 848 N LEU A 53 5.856 -7.195 -3.044 1.00 0.00 N ATOM 849 CA LEU A 53 5.226 -6.051 -3.695 1.00 0.00 C ATOM 850 C LEU A 53 5.755 -4.740 -3.124 1.00 0.00 C ATOM 851 O LEU A 53 5.950 -4.610 -1.915 1.00 0.00 O ATOM 852 CB LEU A 53 3.707 -6.117 -3.527 1.00 0.00 C ATOM 853 CG LEU A 53 2.937 -6.815 -4.649 1.00 0.00 C ATOM 854 CD1 LEU A 53 1.692 -7.494 -4.100 1.00 0.00 C ATOM 855 CD2 LEU A 53 2.567 -5.820 -5.740 1.00 0.00 C ATOM 0 H LEU A 53 5.887 -7.136 -2.026 1.00 0.00 H new ATOM 0 HA LEU A 53 5.471 -6.088 -4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.487 -6.628 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.328 -5.100 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 53 3.580 -7.580 -5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.157 -7.985 -4.913 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.981 -8.236 -3.355 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.045 -6.749 -3.638 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.020 -6.334 -6.530 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.942 -5.033 -5.318 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.474 -5.380 -6.154 1.00 0.00 H new ATOM 867 N VAL A 54 5.984 -3.768 -4.002 1.00 0.00 N ATOM 868 CA VAL A 54 6.487 -2.464 -3.585 1.00 0.00 C ATOM 869 C VAL A 54 5.554 -1.346 -4.034 1.00 0.00 C ATOM 870 O VAL A 54 5.530 -0.976 -5.208 1.00 0.00 O ATOM 871 CB VAL A 54 7.896 -2.200 -4.150 1.00 0.00 C ATOM 872 CG1 VAL A 54 8.394 -0.828 -3.723 1.00 0.00 C ATOM 873 CG2 VAL A 54 8.860 -3.289 -3.705 1.00 0.00 C ATOM 0 H VAL A 54 5.829 -3.859 -5.006 1.00 0.00 H new ATOM 0 HA VAL A 54 6.536 -2.477 -2.496 1.00 0.00 H new ATOM 0 HB VAL A 54 7.842 -2.217 -5.239 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.390 -0.659 -4.131 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.714 -0.062 -4.096 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.435 -0.778 -2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 54 9.850 -3.087 -4.113 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.912 -3.306 -2.616 1.00 0.00 H new ATOM 0 HG23 VAL A 54 8.509 -4.256 -4.066 1.00 0.00 H new ATOM 883 N VAL A 55 4.785 -0.810 -3.091 1.00 0.00 N ATOM 884 CA VAL A 55 3.851 0.269 -3.388 1.00 0.00 C ATOM 885 C VAL A 55 4.481 1.632 -3.123 1.00 0.00 C ATOM 886 O VAL A 55 5.088 1.854 -2.075 1.00 0.00 O ATOM 887 CB VAL A 55 2.562 0.141 -2.553 1.00 0.00 C ATOM 888 CG1 VAL A 55 1.754 1.428 -2.619 1.00 0.00 C ATOM 889 CG2 VAL A 55 1.735 -1.043 -3.030 1.00 0.00 C ATOM 0 H VAL A 55 4.791 -1.106 -2.115 1.00 0.00 H new ATOM 0 HA VAL A 55 3.601 0.188 -4.446 1.00 0.00 H new ATOM 0 HB VAL A 55 2.838 -0.033 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.847 1.319 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.350 2.252 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.485 1.636 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.828 -1.119 -2.430 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.466 -0.901 -4.077 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.317 -1.959 -2.926 1.00 0.00 H new ATOM 899 N HIS A 56 4.333 2.542 -4.080 1.00 0.00 N ATOM 900 CA HIS A 56 4.887 3.885 -3.950 1.00 0.00 C ATOM 901 C HIS A 56 3.782 4.908 -3.706 1.00 0.00 C ATOM 902 O HIS A 56 3.081 5.313 -4.633 1.00 0.00 O ATOM 903 CB HIS A 56 5.675 4.258 -5.207 1.00 0.00 C ATOM 904 CG HIS A 56 6.925 3.455 -5.391 1.00 0.00 C ATOM 905 ND1 HIS A 56 8.188 3.977 -5.211 1.00 0.00 N ATOM 906 CD2 HIS A 56 7.101 2.159 -5.741 1.00 0.00 C ATOM 907 CE1 HIS A 56 9.088 3.037 -5.443 1.00 0.00 C ATOM 908 NE2 HIS A 56 8.454 1.924 -5.766 1.00 0.00 N ATOM 0 H HIS A 56 3.834 2.374 -4.954 1.00 0.00 H new ATOM 0 HA HIS A 56 5.560 3.892 -3.092 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.036 4.124 -6.080 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.936 5.315 -5.162 1.00 0.00 H new ATOM 0 HD1 HIS A 56 8.396 4.938 -4.941 1.00 0.00 H new ATOM 0 HD2 HIS A 56 6.322 1.443 -5.960 1.00 0.00 H new ATOM 0 HE1 HIS A 56 10.159 3.158 -5.379 1.00 0.00 H new ATOM 916 N LEU A 57 3.632 5.320 -2.452 1.00 0.00 N ATOM 917 CA LEU A 57 2.611 6.295 -2.084 1.00 0.00 C ATOM 918 C LEU A 57 2.954 7.676 -2.634 1.00 0.00 C ATOM 919 O LEU A 57 4.124 8.005 -2.827 1.00 0.00 O ATOM 920 CB LEU A 57 2.465 6.361 -0.563 1.00 0.00 C ATOM 921 CG LEU A 57 2.147 5.040 0.139 1.00 0.00 C ATOM 922 CD1 LEU A 57 2.263 5.196 1.647 1.00 0.00 C ATOM 923 CD2 LEU A 57 0.757 4.554 -0.244 1.00 0.00 C ATOM 0 H LEU A 57 4.204 4.994 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 57 1.664 5.975 -2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.391 6.757 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.677 7.075 -0.324 1.00 0.00 H new ATOM 0 HG LEU A 57 2.873 4.294 -0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.033 4.246 2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.278 5.498 1.905 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.561 5.956 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.548 3.613 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.017 5.298 0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.709 4.402 -1.322 1.00 0.00 H new ATOM 935 N ALA A 58 1.925 8.480 -2.883 1.00 0.00 N ATOM 936 CA ALA A 58 2.118 9.827 -3.406 1.00 0.00 C ATOM 937 C ALA A 58 2.813 10.719 -2.383 1.00 0.00 C ATOM 938 O ALA A 58 2.270 10.992 -1.313 1.00 0.00 O ATOM 939 CB ALA A 58 0.782 10.430 -3.815 1.00 0.00 C ATOM 0 H ALA A 58 0.950 8.222 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 58 2.759 9.761 -4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.941 11.436 -4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.324 9.811 -4.586 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.123 10.476 -2.948 1.00 0.00 H new ATOM 945 N GLY A 59 4.017 11.171 -2.720 1.00 0.00 N ATOM 946 CA GLY A 59 4.767 12.027 -1.819 1.00 0.00 C ATOM 947 C GLY A 59 6.051 11.381 -1.339 1.00 0.00 C ATOM 948 O GLY A 59 7.122 11.985 -1.409 1.00 0.00 O ATOM 0 H GLY A 59 4.486 10.960 -3.601 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.002 12.964 -2.325 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.146 12.276 -0.959 1.00 0.00 H new ATOM 952 N VAL A 60 5.946 10.150 -0.850 1.00 0.00 N ATOM 953 CA VAL A 60 7.108 9.421 -0.356 1.00 0.00 C ATOM 954 C VAL A 60 8.126 9.192 -1.468 1.00 0.00 C ATOM 955 O VAL A 60 7.979 8.279 -2.281 1.00 0.00 O ATOM 956 CB VAL A 60 6.705 8.061 0.244 1.00 0.00 C ATOM 957 CG1 VAL A 60 7.931 7.315 0.747 1.00 0.00 C ATOM 958 CG2 VAL A 60 5.691 8.253 1.362 1.00 0.00 C ATOM 0 H VAL A 60 5.067 9.636 -0.785 1.00 0.00 H new ATOM 0 HA VAL A 60 7.558 10.034 0.425 1.00 0.00 H new ATOM 0 HB VAL A 60 6.240 7.461 -0.538 1.00 0.00 H new ATOM 0 HG11 VAL A 60 7.627 6.357 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.619 7.146 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.427 7.907 1.516 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.417 7.282 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.127 8.871 2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.802 8.743 0.966 1.00 0.00 H new ATOM 968 N THR A 61 9.160 10.027 -1.497 1.00 0.00 N ATOM 969 CA THR A 61 10.203 9.916 -2.509 1.00 0.00 C ATOM 970 C THR A 61 11.574 9.733 -1.868 1.00 0.00 C ATOM 971 O THR A 61 12.574 9.549 -2.562 1.00 0.00 O ATOM 972 CB THR A 61 10.236 11.158 -3.420 1.00 0.00 C ATOM 973 OG1 THR A 61 10.573 12.319 -2.652 1.00 0.00 O ATOM 974 CG2 THR A 61 8.892 11.367 -4.101 1.00 0.00 C ATOM 0 H THR A 61 9.297 10.787 -0.831 1.00 0.00 H new ATOM 0 HA THR A 61 9.967 9.039 -3.111 1.00 0.00 H new ATOM 0 HB THR A 61 10.993 10.998 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 61 10.594 13.104 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.941 12.250 -4.739 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.652 10.494 -4.708 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.119 11.507 -3.345 1.00 0.00 H new ATOM 982 N ASP A 62 11.613 9.784 -0.541 1.00 0.00 N ATOM 983 CA ASP A 62 12.862 9.621 0.193 1.00 0.00 C ATOM 984 C ASP A 62 12.743 8.505 1.227 1.00 0.00 C ATOM 985 O ASP A 62 11.653 8.216 1.720 1.00 0.00 O ATOM 986 CB ASP A 62 13.247 10.931 0.882 1.00 0.00 C ATOM 987 CG ASP A 62 12.051 11.646 1.478 1.00 0.00 C ATOM 988 OD1 ASP A 62 11.643 11.284 2.602 1.00 0.00 O ATOM 989 OD2 ASP A 62 11.523 12.568 0.822 1.00 0.00 O ATOM 0 H ASP A 62 10.794 9.937 0.048 1.00 0.00 H new ATOM 0 HA ASP A 62 13.641 9.351 -0.520 1.00 0.00 H new ATOM 0 HB2 ASP A 62 13.972 10.724 1.669 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.736 11.587 0.162 1.00 0.00 H new ATOM 994 N ARG A 63 13.872 7.881 1.549 1.00 0.00 N ATOM 995 CA ARG A 63 13.893 6.795 2.522 1.00 0.00 C ATOM 996 C ARG A 63 13.236 7.225 3.830 1.00 0.00 C ATOM 997 O ARG A 63 12.460 6.475 4.423 1.00 0.00 O ATOM 998 CB ARG A 63 15.332 6.346 2.784 1.00 0.00 C ATOM 999 CG ARG A 63 15.438 4.937 3.344 1.00 0.00 C ATOM 1000 CD ARG A 63 16.862 4.410 3.260 1.00 0.00 C ATOM 1001 NE ARG A 63 16.900 2.957 3.116 1.00 0.00 N ATOM 1002 CZ ARG A 63 17.973 2.220 3.379 1.00 0.00 C ATOM 1003 NH1 ARG A 63 19.091 2.797 3.799 1.00 0.00 N ATOM 1004 NH2 ARG A 63 17.930 0.903 3.224 1.00 0.00 N ATOM 0 H ARG A 63 14.783 8.109 1.151 1.00 0.00 H new ATOM 0 HA ARG A 63 13.328 5.959 2.110 1.00 0.00 H new ATOM 0 HB2 ARG A 63 15.896 6.401 1.853 1.00 0.00 H new ATOM 0 HB3 ARG A 63 15.799 7.041 3.481 1.00 0.00 H new ATOM 0 HG2 ARG A 63 15.107 4.931 4.383 1.00 0.00 H new ATOM 0 HG3 ARG A 63 14.770 4.274 2.793 1.00 0.00 H new ATOM 0 HD2 ARG A 63 17.370 4.872 2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 63 17.409 4.700 4.157 1.00 0.00 H new ATOM 0 HE ARG A 63 16.056 2.482 2.796 1.00 0.00 H new ATOM 0 HH11 ARG A 63 19.128 3.809 3.921 1.00 0.00 H new ATOM 0 HH12 ARG A 63 19.914 2.229 4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 63 17.072 0.455 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 63 18.755 0.338 3.426 1.00 0.00 H new ATOM 1018 N THR A 64 13.554 8.436 4.276 1.00 0.00 N ATOM 1019 CA THR A 64 12.996 8.965 5.515 1.00 0.00 C ATOM 1020 C THR A 64 11.475 8.868 5.518 1.00 0.00 C ATOM 1021 O THR A 64 10.892 8.113 6.298 1.00 0.00 O ATOM 1022 CB THR A 64 13.406 10.433 5.734 1.00 0.00 C ATOM 1023 OG1 THR A 64 14.833 10.552 5.708 1.00 0.00 O ATOM 1024 CG2 THR A 64 12.873 10.952 7.061 1.00 0.00 C ATOM 0 H THR A 64 14.195 9.069 3.798 1.00 0.00 H new ATOM 0 HA THR A 64 13.398 8.359 6.327 1.00 0.00 H new ATOM 0 HB THR A 64 12.977 11.031 4.930 1.00 0.00 H new ATOM 0 HG1 THR A 64 15.086 11.489 5.846 1.00 0.00 H new ATOM 0 HG21 THR A 64 13.175 11.991 7.193 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.785 10.887 7.066 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.276 10.350 7.875 1.00 0.00 H new ATOM 1032 N LEU A 65 10.836 9.636 4.643 1.00 0.00 N ATOM 1033 CA LEU A 65 9.380 9.636 4.544 1.00 0.00 C ATOM 1034 C LEU A 65 8.832 8.213 4.574 1.00 0.00 C ATOM 1035 O LEU A 65 7.863 7.925 5.275 1.00 0.00 O ATOM 1036 CB LEU A 65 8.937 10.340 3.261 1.00 0.00 C ATOM 1037 CG LEU A 65 8.926 11.869 3.302 1.00 0.00 C ATOM 1038 CD1 LEU A 65 8.592 12.437 1.932 1.00 0.00 C ATOM 1039 CD2 LEU A 65 7.935 12.367 4.344 1.00 0.00 C ATOM 0 H LEU A 65 11.303 10.267 3.992 1.00 0.00 H new ATOM 0 HA LEU A 65 8.982 10.176 5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 65 9.594 10.023 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.934 9.996 3.010 1.00 0.00 H new ATOM 0 HG LEU A 65 9.921 12.213 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 65 8.589 13.526 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 65 9.339 12.108 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.608 12.085 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.940 13.457 4.360 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.935 12.013 4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.219 11.989 5.326 1.00 0.00 H new ATOM 1051 N ALA A 66 9.461 7.327 3.808 1.00 0.00 N ATOM 1052 CA ALA A 66 9.039 5.933 3.749 1.00 0.00 C ATOM 1053 C ALA A 66 9.117 5.277 5.124 1.00 0.00 C ATOM 1054 O ALA A 66 8.136 4.718 5.611 1.00 0.00 O ATOM 1055 CB ALA A 66 9.889 5.166 2.747 1.00 0.00 C ATOM 0 H ALA A 66 10.264 7.550 3.220 1.00 0.00 H new ATOM 0 HA ALA A 66 8.000 5.907 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.563 4.127 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.779 5.613 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.935 5.208 3.050 1.00 0.00 H new ATOM 1061 N GLU A 67 10.291 5.351 5.743 1.00 0.00 N ATOM 1062 CA GLU A 67 10.497 4.762 7.062 1.00 0.00 C ATOM 1063 C GLU A 67 9.376 5.162 8.017 1.00 0.00 C ATOM 1064 O GLU A 67 8.939 4.366 8.847 1.00 0.00 O ATOM 1065 CB GLU A 67 11.848 5.196 7.633 1.00 0.00 C ATOM 1066 CG GLU A 67 13.003 4.304 7.210 1.00 0.00 C ATOM 1067 CD GLU A 67 14.268 4.573 8.001 1.00 0.00 C ATOM 1068 OE1 GLU A 67 14.489 5.740 8.388 1.00 0.00 O ATOM 1069 OE2 GLU A 67 15.038 3.618 8.233 1.00 0.00 O ATOM 0 H GLU A 67 11.113 5.812 5.353 1.00 0.00 H new ATOM 0 HA GLU A 67 10.488 3.677 6.953 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.055 6.218 7.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.787 5.205 8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 67 12.716 3.260 7.335 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.203 4.454 6.149 1.00 0.00 H new ATOM 1076 N ALA A 68 8.915 6.403 7.893 1.00 0.00 N ATOM 1077 CA ALA A 68 7.845 6.909 8.743 1.00 0.00 C ATOM 1078 C ALA A 68 6.557 6.120 8.533 1.00 0.00 C ATOM 1079 O ALA A 68 5.786 5.910 9.470 1.00 0.00 O ATOM 1080 CB ALA A 68 7.610 8.388 8.472 1.00 0.00 C ATOM 0 H ALA A 68 9.266 7.076 7.212 1.00 0.00 H new ATOM 0 HA ALA A 68 8.151 6.785 9.782 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.808 8.753 9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.523 8.946 8.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.330 8.527 7.428 1.00 0.00 H new ATOM 1086 N LEU A 69 6.330 5.685 7.299 1.00 0.00 N ATOM 1087 CA LEU A 69 5.135 4.918 6.966 1.00 0.00 C ATOM 1088 C LEU A 69 5.439 3.424 6.924 1.00 0.00 C ATOM 1089 O LEU A 69 4.705 2.647 6.314 1.00 0.00 O ATOM 1090 CB LEU A 69 4.573 5.373 5.618 1.00 0.00 C ATOM 1091 CG LEU A 69 4.035 6.804 5.563 1.00 0.00 C ATOM 1092 CD1 LEU A 69 3.670 7.183 4.136 1.00 0.00 C ATOM 1093 CD2 LEU A 69 2.831 6.956 6.482 1.00 0.00 C ATOM 0 H LEU A 69 6.958 5.850 6.512 1.00 0.00 H new ATOM 0 HA LEU A 69 4.391 5.096 7.743 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.357 5.272 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.770 4.693 5.334 1.00 0.00 H new ATOM 0 HG LEU A 69 4.818 7.480 5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.289 8.204 4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.555 7.114 3.503 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.904 6.503 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.461 7.980 6.431 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.045 6.270 6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.124 6.727 7.507 1.00 0.00 H new ATOM 1105 N VAL A 70 6.526 3.029 7.579 1.00 0.00 N ATOM 1106 CA VAL A 70 6.927 1.628 7.620 1.00 0.00 C ATOM 1107 C VAL A 70 6.496 0.971 8.927 1.00 0.00 C ATOM 1108 O VAL A 70 6.766 1.486 10.011 1.00 0.00 O ATOM 1109 CB VAL A 70 8.451 1.474 7.460 1.00 0.00 C ATOM 1110 CG1 VAL A 70 8.903 0.102 7.934 1.00 0.00 C ATOM 1111 CG2 VAL A 70 8.860 1.709 6.014 1.00 0.00 C ATOM 0 H VAL A 70 7.145 3.660 8.089 1.00 0.00 H new ATOM 0 HA VAL A 70 6.430 1.133 6.786 1.00 0.00 H new ATOM 0 HB VAL A 70 8.941 2.225 8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.983 0.013 7.813 1.00 0.00 H new ATOM 0 HG12 VAL A 70 8.644 -0.023 8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.407 -0.669 7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.940 1.596 5.918 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.361 0.983 5.372 1.00 0.00 H new ATOM 0 HG23 VAL A 70 8.572 2.717 5.714 1.00 0.00 H new ATOM 1121 N GLY A 71 5.824 -0.171 8.816 1.00 0.00 N ATOM 1122 CA GLY A 71 5.366 -0.880 9.996 1.00 0.00 C ATOM 1123 C GLY A 71 3.858 -0.845 10.146 1.00 0.00 C ATOM 1124 O GLY A 71 3.257 -1.780 10.676 1.00 0.00 O ATOM 0 H GLY A 71 5.589 -0.618 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 71 5.699 -1.917 9.945 1.00 0.00 H new ATOM 0 HA3 GLY A 71 5.826 -0.441 10.881 1.00 0.00 H new ATOM 1128 N LEU A 72 3.245 0.238 9.680 1.00 0.00 N ATOM 1129 CA LEU A 72 1.797 0.393 9.766 1.00 0.00 C ATOM 1130 C LEU A 72 1.089 -0.563 8.812 1.00 0.00 C ATOM 1131 O LEU A 72 1.702 -1.105 7.892 1.00 0.00 O ATOM 1132 CB LEU A 72 1.399 1.836 9.449 1.00 0.00 C ATOM 1133 CG LEU A 72 1.910 2.902 10.419 1.00 0.00 C ATOM 1134 CD1 LEU A 72 1.572 4.294 9.908 1.00 0.00 C ATOM 1135 CD2 LEU A 72 1.324 2.684 11.807 1.00 0.00 C ATOM 0 H LEU A 72 3.728 1.021 9.239 1.00 0.00 H new ATOM 0 HA LEU A 72 1.491 0.153 10.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.760 2.080 8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.311 1.893 9.418 1.00 0.00 H new ATOM 0 HG LEU A 72 2.994 2.816 10.486 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.943 5.040 10.611 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.039 4.448 8.935 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.491 4.393 9.811 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.698 3.451 12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.237 2.743 11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.617 1.701 12.175 1.00 0.00 H new ATOM 1147 N ARG A 73 -0.206 -0.765 9.036 1.00 0.00 N ATOM 1148 CA ARG A 73 -0.997 -1.655 8.195 1.00 0.00 C ATOM 1149 C ARG A 73 -1.876 -0.858 7.236 1.00 0.00 C ATOM 1150 O ARG A 73 -2.509 0.123 7.627 1.00 0.00 O ATOM 1151 CB ARG A 73 -1.867 -2.569 9.061 1.00 0.00 C ATOM 1152 CG ARG A 73 -1.068 -3.553 9.901 1.00 0.00 C ATOM 1153 CD ARG A 73 -1.813 -3.933 11.171 1.00 0.00 C ATOM 1154 NE ARG A 73 -1.401 -5.240 11.676 1.00 0.00 N ATOM 1155 CZ ARG A 73 -1.824 -5.750 12.827 1.00 0.00 C ATOM 1156 NH1 ARG A 73 -2.668 -5.067 13.588 1.00 0.00 N ATOM 1157 NH2 ARG A 73 -1.404 -6.946 13.219 1.00 0.00 N ATOM 0 H ARG A 73 -0.729 -0.324 9.793 1.00 0.00 H new ATOM 0 HA ARG A 73 -0.311 -2.266 7.609 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.480 -1.955 9.721 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -2.549 -3.124 8.417 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -0.862 -4.450 9.316 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.105 -3.114 10.160 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.636 -3.177 11.935 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.885 -3.942 10.974 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.753 -5.791 11.114 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.994 -4.148 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -2.991 -5.461 14.472 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.755 -7.475 12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.730 -7.336 14.103 1.00 0.00 H new ATOM 1171 N VAL A 74 -1.909 -1.285 5.978 1.00 0.00 N ATOM 1172 CA VAL A 74 -2.711 -0.612 4.963 1.00 0.00 C ATOM 1173 C VAL A 74 -4.132 -1.163 4.930 1.00 0.00 C ATOM 1174 O VAL A 74 -4.342 -2.373 5.025 1.00 0.00 O ATOM 1175 CB VAL A 74 -2.083 -0.759 3.564 1.00 0.00 C ATOM 1176 CG1 VAL A 74 -2.915 -0.023 2.525 1.00 0.00 C ATOM 1177 CG2 VAL A 74 -0.649 -0.251 3.568 1.00 0.00 C ATOM 0 H VAL A 74 -1.390 -2.094 5.637 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.740 0.444 5.232 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.069 -1.817 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.456 -0.138 1.543 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.923 -0.438 2.505 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.964 1.035 2.781 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.221 -0.362 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.636 0.801 3.853 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.061 -0.827 4.282 1.00 0.00 H new ATOM 1187 N TYR A 75 -5.104 -0.268 4.795 1.00 0.00 N ATOM 1188 CA TYR A 75 -6.507 -0.664 4.751 1.00 0.00 C ATOM 1189 C TYR A 75 -7.108 -0.388 3.377 1.00 0.00 C ATOM 1190 O TYR A 75 -6.697 0.540 2.682 1.00 0.00 O ATOM 1191 CB TYR A 75 -7.301 0.078 5.827 1.00 0.00 C ATOM 1192 CG TYR A 75 -7.107 -0.481 7.218 1.00 0.00 C ATOM 1193 CD1 TYR A 75 -5.903 -0.318 7.892 1.00 0.00 C ATOM 1194 CD2 TYR A 75 -8.128 -1.171 7.859 1.00 0.00 C ATOM 1195 CE1 TYR A 75 -5.721 -0.828 9.162 1.00 0.00 C ATOM 1196 CE2 TYR A 75 -7.955 -1.683 9.131 1.00 0.00 C ATOM 1197 CZ TYR A 75 -6.750 -1.509 9.778 1.00 0.00 C ATOM 1198 OH TYR A 75 -6.573 -2.018 11.044 1.00 0.00 O ATOM 0 H TYR A 75 -4.947 0.737 4.714 1.00 0.00 H new ATOM 0 HA TYR A 75 -6.563 -1.736 4.942 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -7.009 1.128 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -8.361 0.041 5.575 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -5.096 0.217 7.414 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -9.073 -1.310 7.355 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -4.778 -0.694 9.670 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -8.759 -2.217 9.616 1.00 0.00 H new ATOM 0 HH TYR A 75 -7.394 -2.468 11.333 1.00 0.00 H new ATOM 1208 N ALA A 76 -8.086 -1.202 2.992 1.00 0.00 N ATOM 1209 CA ALA A 76 -8.747 -1.045 1.703 1.00 0.00 C ATOM 1210 C ALA A 76 -10.222 -0.700 1.880 1.00 0.00 C ATOM 1211 O ALA A 76 -10.819 -1.000 2.913 1.00 0.00 O ATOM 1212 CB ALA A 76 -8.596 -2.313 0.875 1.00 0.00 C ATOM 0 H ALA A 76 -8.438 -1.977 3.555 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.269 -0.220 1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.094 -2.182 -0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -7.538 -2.516 0.710 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.047 -3.151 1.407 1.00 0.00 H new ATOM 1218 N GLU A 77 -10.803 -0.066 0.866 1.00 0.00 N ATOM 1219 CA GLU A 77 -12.208 0.322 0.913 1.00 0.00 C ATOM 1220 C GLU A 77 -13.016 -0.435 -0.137 1.00 0.00 C ATOM 1221 O GLU A 77 -12.788 -0.288 -1.338 1.00 0.00 O ATOM 1222 CB GLU A 77 -12.351 1.829 0.693 1.00 0.00 C ATOM 1223 CG GLU A 77 -13.563 2.433 1.384 1.00 0.00 C ATOM 1224 CD GLU A 77 -13.936 3.792 0.825 1.00 0.00 C ATOM 1225 OE1 GLU A 77 -13.947 3.942 -0.415 1.00 0.00 O ATOM 1226 OE2 GLU A 77 -14.219 4.705 1.628 1.00 0.00 O ATOM 0 H GLU A 77 -10.323 0.190 0.003 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.596 0.067 1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -11.451 2.327 1.054 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -12.417 2.027 -0.377 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.411 1.756 1.280 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -13.359 2.526 2.451 1.00 0.00 H new ATOM 1233 N VAL A 78 -13.961 -1.248 0.326 1.00 0.00 N ATOM 1234 CA VAL A 78 -14.805 -2.028 -0.572 1.00 0.00 C ATOM 1235 C VAL A 78 -15.486 -1.134 -1.602 1.00 0.00 C ATOM 1236 O VAL A 78 -15.772 -1.564 -2.719 1.00 0.00 O ATOM 1237 CB VAL A 78 -15.881 -2.809 0.206 1.00 0.00 C ATOM 1238 CG1 VAL A 78 -16.626 -3.758 -0.719 1.00 0.00 C ATOM 1239 CG2 VAL A 78 -15.254 -3.565 1.368 1.00 0.00 C ATOM 0 H VAL A 78 -14.161 -1.383 1.317 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.153 -2.735 -1.084 1.00 0.00 H new ATOM 0 HB VAL A 78 -16.600 -2.097 0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -17.382 -4.301 -0.151 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -17.108 -3.188 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -15.923 -4.466 -1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -16.028 -4.111 1.907 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -14.513 -4.267 0.987 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.771 -2.859 2.044 1.00 0.00 H new ATOM 1249 N ALA A 79 -15.744 0.112 -1.218 1.00 0.00 N ATOM 1250 CA ALA A 79 -16.389 1.067 -2.109 1.00 0.00 C ATOM 1251 C ALA A 79 -15.690 1.115 -3.463 1.00 0.00 C ATOM 1252 O ALA A 79 -16.282 1.517 -4.465 1.00 0.00 O ATOM 1253 CB ALA A 79 -16.409 2.450 -1.475 1.00 0.00 C ATOM 0 H ALA A 79 -15.516 0.483 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 79 -17.415 0.738 -2.271 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.894 3.154 -2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.960 2.412 -0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -15.387 2.777 -1.283 1.00 0.00 H new ATOM 1259 N ASP A 80 -14.427 0.702 -3.487 1.00 0.00 N ATOM 1260 CA ASP A 80 -13.647 0.696 -4.719 1.00 0.00 C ATOM 1261 C ASP A 80 -13.569 -0.709 -5.306 1.00 0.00 C ATOM 1262 O ASP A 80 -13.567 -0.884 -6.526 1.00 0.00 O ATOM 1263 CB ASP A 80 -12.239 1.232 -4.457 1.00 0.00 C ATOM 1264 CG ASP A 80 -11.368 1.201 -5.698 1.00 0.00 C ATOM 1265 OD1 ASP A 80 -11.151 0.099 -6.243 1.00 0.00 O ATOM 1266 OD2 ASP A 80 -10.903 2.280 -6.125 1.00 0.00 O ATOM 0 H ASP A 80 -13.922 0.367 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 80 -14.146 1.343 -5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.306 2.256 -4.089 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.769 0.641 -3.671 1.00 0.00 H new ATOM 1271 N LEU A 81 -13.504 -1.707 -4.433 1.00 0.00 N ATOM 1272 CA LEU A 81 -13.424 -3.098 -4.865 1.00 0.00 C ATOM 1273 C LEU A 81 -14.593 -3.452 -5.780 1.00 0.00 C ATOM 1274 O LEU A 81 -15.717 -2.983 -5.601 1.00 0.00 O ATOM 1275 CB LEU A 81 -13.411 -4.030 -3.652 1.00 0.00 C ATOM 1276 CG LEU A 81 -12.227 -3.873 -2.697 1.00 0.00 C ATOM 1277 CD1 LEU A 81 -12.352 -4.838 -1.529 1.00 0.00 C ATOM 1278 CD2 LEU A 81 -10.915 -4.091 -3.435 1.00 0.00 C ATOM 0 H LEU A 81 -13.505 -1.579 -3.421 1.00 0.00 H new ATOM 0 HA LEU A 81 -12.497 -3.226 -5.424 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -14.330 -3.872 -3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -13.429 -5.059 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 81 -12.234 -2.857 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -11.501 -4.712 -0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.274 -4.633 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.371 -5.862 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.083 -3.975 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.898 -5.096 -3.858 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.822 -3.358 -4.237 1.00 0.00 H new